| 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 | 30.3 | Very low | 42 | Very low | 243 Ų | 243 | 155.6 Ų | 155.6 | 100% | 1.197 | 75% | 0.747 | S | S | * | * | 0 | 146.8 | 0 | -61.3 | -177.1 | -174.1 | 0 | 0 | 109.2 | |||||
| 2 | P | 37.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 160.4 Ų | 160.4 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -112 | 162.3 | 167.8 | 37 | -27.5 | 0 | 0 | 0 | 113.6 | ||||
| 3 | L | 41.3 | Very low | 41.7 | Very low | 106 Ų | 106 | 160.5 Ų | 160.5 | 56% | 0.555 | 74% | 0.743 | S | S | * | * | trans | -78.1 | 160.2 | -171.1 | -67.6 | 162.3 | 0 | 0 | 0 | 113.8 | T669 A670 | L3-T669 WeakPolarHBondContact CB-O 3.2Å; L3-T669 WeakPolarHBondContact O-CB 3.09Å; L3-T669 PolarHBondContact O-OG1 2.81Å; L3-A670 HydrophobicContact CB-CB 3.74Å | ||
| 4 | K | 35 | Very low | 41.6 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -114.8 | 119.4 | 175.4 | -73.3 | -178.4 | 178.4 | 176.4 | 0 | 112.3 | A670 | K4-A670 VanDerWaalsContact O-CB 3.28Å; K4-A670 WeakPolarHBondContact O-CB 3.47Å | ||
| 5 | L | 60.4 | Low | 42.3 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 49% | 0.492 | 72% | 0.721 | S | S | . | * | trans | -113.6 | 145.7 | 155.4 | -93.6 | -177.6 | 0 | 0 | 0 | 109.5 | F7 T669 A670 | L5-F7 PolarHBondContact O-N 3.42Å; L5-T669 HydrophobicContact CB-CG2 3.82Å; L5-A670 HydrophobicContact CB-CB 4.46Å; L5-A670 HydrophobicContact CD2-CB 4.39Å; L5-A670 HydrophobicContact CG-CB 3.76Å | ||
| 6 | N | 37.5 | Very low | 42.7 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -86.4 | 95.2 | 176.2 | -61.4 | -53.8 | 0 | 0 | 0 | 109.3 | K8 | N6-K8 PolarHBondContact O-N 2.87Å; N6-K8 VanDerWaalsContact O-N 3.14Å | ||
| 7 | F | 47.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | trans | -56.1 | 119.1 | 168.1 | -75.4 | -84.9 | 0 | 0 | 0 | 109.3 | L5 R9 T669 | L5-F7 PolarHBondContact O-N 3.42Å; F7-R9 PolarHBondContact O-N 2.79Å; F7-T669 HydrophobicContact CE2-CG2 4.12Å | ||
| 8 | K | 46.3 | Very low | 44.8 | Very low | 199 Ų | 199 | 144.8 Ų | 144.8 | 87% | 0.865 | 71% | 0.705 | S | S | * | * | trans | -57.6 | 127.8 | 166.1 | -74.5 | 177.3 | 179.1 | 171 | 0 | 107 | N6 T10 | N6-K8 PolarHBondContact O-N 2.87Å; N6-K8 VanDerWaalsContact O-N 3.14Å; K8-T10 PolarHBondContact O-N 3.38Å | ||
| 9 | R | 41.5 | Very low | 46.5 | Very low | 246 Ų | 246 | 142.5 Ų | 142.5 | 93% | 0.928 | 70% | 0.696 | S | S | * | * | trans | -45.3 | 125.5 | 178.2 | -82 | -179.9 | 169 | 148.1 | -3.5 | 109.5 | F7 H11 | F7-R9 PolarHBondContact O-N 2.79Å; R9-H11 PolarHBondContact O-N 3.04Å | ||
| 10 | T | 43.2 | Very low | 48.4 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 42% | 0.423 | 68% | 0.682 | S | S | . | * | trans | -54.9 | 136.8 | 175.1 | 50.1 | 0 | 0 | 0 | 0 | 108.6 | K8 R12 T986 | K8-T10 PolarHBondContact O-N 3.38Å; T10-R12 PolarHBondContact O-N 3.45Å; T10-T986 HydrophobicContact CG2-CG2 4.26Å; T10-T986 PolarHBondContact OG1-OG1 2.81Å | ||
| 11 | H | 41.4 | Very low | 50.1 | Low | 147 Ų | 147 | 135.7 Ų | 135.7 | 68% | 0.681 | 66% | 0.664 | S | S | * | * | trans | -79.9 | 79.1 | -168.4 | -151.4 | -64.5 | 0 | 0 | 0 | 108.5 | R9 Y13 H988 | R9-H11 PolarHBondContact O-N 3.04Å; H11-Y13 PolarHBondContact O-N 2.72Å; H11-H988 PolarHBondContact N-CE1 3.34Å; H11-H988 VanDerWaalsContact N-CE1 3.32Å; H11-H988 PolarHBondContact N-NE2 3.12Å; H11-H988 PolarHBondContact O-CE1 2.89Å | ||
| 12 | R | 38 | Very low | 53 | Low | 213 Ų | 213 | 127.6 Ų | 127.6 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | trans | -40.6 | 131 | 166.1 | -74.4 | -174.5 | 174.9 | -176.5 | -3.3 | 107.4 | T10 N14 | T10-R12 PolarHBondContact O-N 3.45Å; R12-N14 PolarHBondContact O-N 3.41Å | ||
| 13 | Y | 42.2 | Very low | 55.6 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 64% | 0.635 | 59% | 0.59 | S | S | * | * | trans | -62.2 | 89.1 | 177.7 | -82.9 | -76.8 | 0 | 0 | 0 | 108.7 | H11 V15 L989 | H11-Y13 PolarHBondContact O-N 2.72Å; Y13-V15 VanDerWaalsContact C-N 3.33Å; Y13-V15 PolarHBondContact O-N 2.68Å; Y13-L989 PolarHBondContact OH-O 3.44Å; Y13-L989 VanDerWaalsContact OH-O 3.08Å | ||
| 14 | N | 40.5 | Very low | 58.1 | Low | 102 Ų | 102 | 122.9 Ų | 122.9 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | trans | -83.4 | 86.6 | -172.8 | -164.5 | 2.3 | 0 | 0 | 0 | 107 | R12 A16 A17 | R12-N14 PolarHBondContact O-N 3.41Å; N14-A16 PolarHBondContact O-N 3.43Å; N14-A16 WeakPolarHBondContact OD1-CB 3.32Å; N14-A17 WeakPolarHBondContact O-CB 3.33Å; N14-A17 PolarHBondContact O-N 2.69Å | ||
| 15 | V | 52.5 | Low | 61 | Low | 101 Ų | 101 | 115.1 Ų | 115.1 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -15.3 | 179.8 | -172.4 | 0 | 0 | 0 | 0 | 111.6 | Y13 A17 | Y13-V15 VanDerWaalsContact C-N 3.33Å; Y13-V15 PolarHBondContact O-N 2.68Å; V15-A17 PolarHBondContact O-N 2.89Å |
| 16 | A | 47.8 | Very low | 62.7 | Low | 79 Ų | 79 | 114.6 Ų | 114.6 | 65% | 0.653 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -1.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N14 K18 | N14-A16 PolarHBondContact O-N 3.43Å; N14-A16 WeakPolarHBondContact OD1-CB 3.32Å; A16-K18 PolarHBondContact O-N 2.82Å; A16-K18 VanDerWaalsContact O-N 3.15Å |
| 17 | A | 58.2 | Low | 65.3 | Low | 48 Ų | 48 | 107.2 Ų | 107.2 | 40% | 0.397 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -68.5 | 103.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N14 V15 D19 L20 | N14-A17 WeakPolarHBondContact O-CB 3.33Å; N14-A17 PolarHBondContact O-N 2.69Å; V15-A17 PolarHBondContact O-N 2.89Å; A17-D19 PolarHBondContact O-N 2.94Å; A17-L20 HydrophobicContact CB-CD1 4.49Å; A17-L20 PolarHBondContact O-N 2.9Å |
| 18 | K | 64.4 | Low | 67.4 | Low | 189 Ų | 189 | 99.9 Ų | 99.9 | 82% | 0.822 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -2.9 | -164.9 | -59.6 | -179.3 | 179.4 | 178.7 | 0 | 117.7 | A16 H21 | A16-K18 PolarHBondContact O-N 2.82Å; A16-K18 VanDerWaalsContact O-N 3.15Å; K18-H21 PolarHBondContact O-CE1 2.84Å |
| 19 | D | 77.1 | Confident | 69.5 | Low | 102 Ų | 102 | 92.5 Ų | 92.5 | 55% | 0.545 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -8.5 | -178 | -68.4 | -69.3 | 0 | 0 | 0 | 113.6 | A17 H21 S38 S39 | A17-D19 PolarHBondContact O-N 2.94Å; D19-H21 PolarHBondContact O-ND1 2.72Å; D19-S38 WeakPolarHBondContact O-CA 3.45Å; D19-S39 PolarHBondContact O-N 2.93Å; D19-S39 VanDerWaalsContact O-N 3.15Å |
| 20 | L | 84.4 | Confident | 71.5 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 41% | 0.408 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.5 | 175.1 | -69.7 | 174.4 | 0 | 0 | 0 | 111.4 | A17 V37 | A17-L20 HydrophobicContact CB-CD1 4.49Å; A17-L20 PolarHBondContact O-N 2.9Å; L20-V37 WeakPolarHBondContact CA-O 3.06Å |
| 21 | H | 84.7 | Confident | 73.8 | Confident | 64 Ų | 64 | 85 Ų | 85 | 30% | 0.296 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 139.9 | -177.1 | -58.9 | 62.4 | 0 | 0 | 0 | 109 | K18 D19 T36 V37 K83 | K18-H21 PolarHBondContact O-CE1 2.84Å; D19-H21 PolarHBondContact O-ND1 2.72Å; H21-T36 CarbonylContact O-C 3.45Å; H21-V37 HydrophobicContact CB-CG2 3.94Å; H21-V37 PolarHBondContact N-O 3.4Å; H21-V37 WeakPolarHBondContact O-CG2 2.9Å; H21-V37 PolarHBondContact O-N 3.07Å; H21-K83 PolarHBondContact CE1-NZ 2.71Å; H21-K83 PolarHBondContact NE2-NZ 2.95Å |
| 22 | V | 90.5 | Very high | 76.2 | Confident | 72 Ų | 72 | 80.6 Ų | 80.6 | 44% | 0.436 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.1 | 170.2 | -174.5 | 0 | 0 | 0 | 0 | 108.3 | E34 Y35 T36 | V22-E34 HydrophobicContact CG1-CB 3.99Å; V22-Y35 WeakPolarHBondContact CA-O 3.35Å; V22-T36 HydrophobicContact CG2-CG2 4.06Å |
| 23 | I | 93.1 | Very high | 78.8 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.9 | 173.1 | -71.6 | 171.9 | 0 | 0 | 0 | 108 | I25 Y35 V37 I82 L86 L95 | I23-I25 HydrophobicContact CG2-CG1 4.37Å; I23-Y35 PolarHBondContact N-O 3.27Å; I23-Y35 PolarHBondContact O-N 3.22Å; I23-V37 HydrophobicContact CD1-CB 4.33Å; I23-V37 HydrophobicContact CD1-CG1 3.87Å; I23-V37 HydrophobicContact CD1-CG2 3.5Å; I23-V37 VanDerWaalsContact CD1-CG2 3.5Å; I23-V37 HydrophobicContact CG1-CG2 4.09Å; I23-I82 HydrophobicContact CD1-CG2 3.66Å; I23-L86 HydrophobicContact CD1-CD1 3.58Å; I23-L86 HydrophobicContact CG1-CD1 4.24Å; I23-L86 HydrophobicContact CG2-CD1 4.43Å; I23-L95 HydrophobicContact CG2-CD1 4.1Å; I23-L95 HydrophobicContact CG2-CG 4.02Å |
| 24 | R | 94.6 | Very high | 81.2 | Confident | 128 Ų | 128 | 67.6 Ų | 67.6 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 131.2 | 171.5 | -69.7 | -175.2 | 172.5 | 161 | -0.3 | 110 | Y26 E34 A94 L95 | R24-Y26 HydrophobicContact CB-CE2 4.13Å; R24-E34 HydrophobicContact CG-CG 4.21Å; R24-E34 IonicContact CZ-OE1 3.94Å; R24-E34 IonicContact NE-OE1 3.61Å; R24-E34 PolarHBondContact NE-OE1 2.82Å; R24-E34 IonicContact NH2-OE1 3.98Å; R24-E34 PolarHBondContact NH2-OE1 2.71Å; R24-E34 VanDerWaalsContact NH2-OE1 3.1Å; R24-A94 CarbonylContact O-C 3.59Å; R24-A94 WeakPolarHBondContact O-CA 3.45Å; R24-L95 PolarHBondContact O-N 2.99Å |
| 25 | I | 95.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 108.9 | 175.8 | -49.3 | -177.8 | 0 | 0 | 0 | 107.5 | I23 V33 Y35 A46 V50 F64 L95 | I23-I25 HydrophobicContact CG2-CG1 4.37Å; I25-V33 HydrophobicContact CB-CB 4.39Å; I25-V33 WeakPolarHBondContact CB-O 3.44Å; I25-V33 PolarHBondContact N-O 2.78Å; I25-V33 PolarHBondContact O-N 2.21Å; I25-Y35 HydrophobicContact CD1-CD1 4.34Å; I25-Y35 HydrophobicContact CD1-CG 4.34Å; I25-A46 HydrophobicContact CD1-CB 4.41Å; I25-V50 HydrophobicContact CD1-CG2 3.69Å; I25-V50 HydrophobicContact CG2-CG2 4.2Å; I25-F64 HydrophobicContact CD1-CE1 4.43Å; I25-F64 HydrophobicContact CD1-CZ 4.32Å; I25-F64 HydrophobicContact CG2-CD1 3.93Å; I25-F64 HydrophobicContact CG2-CE1 3.48Å; I25-F64 VanDerWaalsContact CG2-CE1 3.48Å; I25-F64 HydrophobicContact CG2-CZ 4.34Å; I25-L95 CarbonylContact C-O 3.54Å; I25-L95 WeakPolarHBondContact CA-O 3.09Å; I25-L95 HydrophobicContact CD1-CD1 4.4Å; I25-L95 HydrophobicContact CG1-CB 4.26Å; I25-L95 HydrophobicContact CG1-CD1 4.27Å; I25-L95 HydrophobicContact CG2-CB 4.25Å |
| 26 | Y | 94.9 | Very high | 85.5 | Confident | 84 Ų | 84 | 64 Ų | 64 | 33% | 0.329 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.2 | 175.7 | -66.3 | -85.5 | 0 | 0 | 0 | 110.4 | R24 T31 C32 A94 L95 T96 L97 | R24-Y26 HydrophobicContact CB-CE2 4.13Å; Y26-T31 CarbonylContact C-O 3.47Å; Y26-T31 VanDerWaalsContact CA-O 3.3Å; Y26-T31 WeakPolarHBondContact CA-O 3.16Å; Y26-C32 HydrophobicContact CD1-CB 4.2Å; Y26-C32 HydrophobicContact CE1-CB 4.07Å; Y26-A94 HydrophobicContact CD2-CB 4.48Å; Y26-A94 HydrophobicContact CE2-CB 4.14Å; Y26-L95 PolarHBondContact N-O 2.87Å; Y26-T96 CarbonylContact O-C 3.53Å; Y26-T96 WeakPolarHBondContact O-CA 3.47Å; Y26-L97 PolarHBondContact O-N 2.79Å |
| 27 | T | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | trans | -87 | 172.1 | 170.9 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | D29 N30 T31 V33 L54 L97 | T27-D29 VanDerWaalsContact C-N 3.28Å; T27-D29 WeakPolarHBondContact CB-OD1 3.13Å; T27-D29 PolarHBondContact O-N 2.85Å; T27-D29 PolarHBondContact OG1-OD1 3.41Å; T27-N30 WeakPolarHBondContact O-CA 3.33Å; T27-N30 PolarHBondContact O-N 2.76Å; T27-T31 PolarHBondContact N-O 3.47Å; T27-T31 WeakPolarHBondContact OG1-CB 3.42Å; T27-T31 PolarHBondContact OG1-N 2.92Å; T27-T31 PolarHBondContact OG1-O 2.94Å; T27-T31 PolarHBondContact OG1-OG1 2.74Å; T27-V33 HydrophobicContact CG2-CG2 4.3Å; T27-L54 HydrophobicContact CG2-CD1 3.89Å; T27-L54 HydrophobicContact CG2-CD2 4.32Å; T27-L97 HydrophobicContact CG2-CD2 4.48Å | ||
| 28 | L | 91.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.3 | -176.4 | -67.6 | 166.8 | 0 | 0 | 0 | 113.5 | N30 L97 V99 W117 L120 Q121 | L28-N30 VanDerWaalsContact C-N 3.25Å; L28-L97 VanDerWaalsContact CD2-O 3.24Å; L28-L97 WeakPolarHBondContact CD2-O 3.25Å; L28-L97 WeakPolarHBondContact CG-O 3Å; L28-V99 HydrophobicContact CD1-CG2 4.21Å; L28-W117 HydrophobicContact CB-CE3 3.86Å; L28-W117 HydrophobicContact CB-CZ3 3.98Å; L28-W117 HydrophobicContact CD1-CB 4.46Å; L28-W117 HydrophobicContact CD1-CE3 4.1Å; L28-W117 HydrophobicContact CG-CE3 4.43Å; L28-L120 HydrophobicContact CB-CB 3.89Å; L28-L120 HydrophobicContact CB-CD1 4.4Å; L28-Q121 HydrophobicContact CD1-CB 4.03Å; L28-Q121 HydrophobicContact CD2-CB 4.28Å |
| 29 | D | 88.5 | Confident | 90.2 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | 22.3 | 167 | 57.3 | -11.2 | 0 | 0 | 0 | 112.4 | T27 T31 R116 W117 L120 | T27-D29 VanDerWaalsContact C-N 3.28Å; T27-D29 WeakPolarHBondContact CB-OD1 3.13Å; T27-D29 PolarHBondContact O-N 2.85Å; T27-D29 PolarHBondContact OG1-OD1 3.41Å; D29-T31 PolarHBondContact O-N 2.96Å; D29-R116 IonicContact OD2-NH1 3.83Å; D29-W117 HydrophobicContact CB-CZ3 4.4Å; D29-W117 WeakPolarHBondContact OD1-CH2 3.01Å; D29-W117 WeakPolarHBondContact OD1-CZ3 3.34Å; D29-L120 HydrophobicContact CB-CD1 3.99Å |
| 30 | N | 85.2 | Confident | 90.8 | Very high | 99 Ų | 99 | 51.5 Ų | 51.5 | 53% | 0.529 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 61.8 | 5.4 | 174.4 | -60.6 | -40.7 | 0 | 0 | 0 | 117 | T27 L28 | T27-N30 WeakPolarHBondContact O-CA 3.33Å; T27-N30 PolarHBondContact O-N 2.76Å; L28-N30 VanDerWaalsContact C-N 3.25Å |
| 31 | T | 90.9 | Very high | 91.3 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 37% | 0.368 | 26% | 0.262 | S | S | . | . | trans | -64.7 | 155.2 | 171 | 89.6 | 0 | 0 | 0 | 0 | 111 | Y26 T27 D29 | Y26-T31 CarbonylContact C-O 3.47Å; Y26-T31 VanDerWaalsContact CA-O 3.3Å; Y26-T31 WeakPolarHBondContact CA-O 3.16Å; T27-T31 PolarHBondContact N-O 3.47Å; T27-T31 WeakPolarHBondContact OG1-CB 3.42Å; T27-T31 PolarHBondContact OG1-N 2.92Å; T27-T31 PolarHBondContact OG1-O 2.94Å; T27-T31 PolarHBondContact OG1-OG1 2.74Å; D29-T31 PolarHBondContact O-N 2.96Å | ||
| 32 | C | 91.7 | Very high | 91.8 | Very high | 53 Ų | 53 | 47.4 Ų | 47.4 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 121 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | Y26 | Y26-C32 HydrophobicContact CD1-CB 4.2Å; Y26-C32 HydrophobicContact CE1-CB 4.07Å |
| 33 | V | 92.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 111 | 170.1 | -177 | 0 | 0 | 0 | 0 | 108.8 | I25 T27 Y49 V50 K53 | I25-V33 HydrophobicContact CB-CB 4.39Å; I25-V33 WeakPolarHBondContact CB-O 3.44Å; I25-V33 PolarHBondContact N-O 2.78Å; I25-V33 PolarHBondContact O-N 2.21Å; T27-V33 HydrophobicContact CG2-CG2 4.3Å; V33-Y49 HydrophobicContact CG1-CE1 3.93Å; V33-V50 HydrophobicContact CG1-CG2 4.46Å; V33-K53 HydrophobicContact CB-CD 4.45Å; V33-K53 HydrophobicContact CG1-CD 3.7Å; V33-K53 HydrophobicContact CG2-CD 3.91Å |
| 34 | E | 92.6 | Very high | 92 | Very high | 101 Ų | 101 | 47.1 Ų | 47.1 | 47% | 0.472 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.2 | 170.8 | -59.1 | -153.2 | 146.9 | 0 | 0 | 110.4 | V22 R24 | V22-E34 HydrophobicContact CG1-CB 3.99Å; R24-E34 HydrophobicContact CG-CG 4.21Å; R24-E34 IonicContact CZ-OE1 3.94Å; R24-E34 IonicContact NE-OE1 3.61Å; R24-E34 PolarHBondContact NE-OE1 2.82Å; R24-E34 IonicContact NH2-OE1 3.98Å; R24-E34 PolarHBondContact NH2-OE1 2.71Å; R24-E34 VanDerWaalsContact NH2-OE1 3.1Å |
| 35 | Y | 92.5 | Very high | 92 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 12% | 0.118 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.5 | -177.4 | -178.1 | -121.8 | 0 | 0 | 0 | 111.6 | V22 I23 I25 V37 T41 D45 A46 Y49 | V22-Y35 WeakPolarHBondContact CA-O 3.35Å; I23-Y35 PolarHBondContact N-O 3.27Å; I23-Y35 PolarHBondContact O-N 3.22Å; I25-Y35 HydrophobicContact CD1-CD1 4.34Å; I25-Y35 HydrophobicContact CD1-CG 4.34Å; Y35-V37 HydrophobicContact CD1-CG1 3.5Å; Y35-V37 HydrophobicContact CE1-CG1 3.65Å; Y35-V37 PolarHBondContact O-N 2.74Å; Y35-T41 HydrophobicContact CE1-CG2 3.75Å; Y35-D45 PolarHBondContact OH-O 2.91Å; Y35-A46 HydrophobicContact CD1-CB 3.8Å; Y35-A46 HydrophobicContact CE1-CB 3.5Å; Y35-A46 VanDerWaalsContact CE1-CB 3.5Å; Y35-Y49 AromaticContact CD2-CD1 3.21Å; Y35-Y49 HydrophobicContact CD2-CD1 3.21Å; Y35-Y49 HydrophobicContact CD2-CD2 4.33Å; Y35-Y49 AromaticContact CD2-CE1 3.51Å; Y35-Y49 HydrophobicContact CD2-CE1 3.51Å; Y35-Y49 AromaticContact CD2-CG 3.67Å; Y35-Y49 HydrophobicContact CD2-CG 3.67Å; Y35-Y49 AromaticContact CE2-CD1 3.56Å; Y35-Y49 HydrophobicContact CE2-CD1 3.56Å; Y35-Y49 HydrophobicContact CE2-CD2 4.04Å; Y35-Y49 HydrophobicContact CE2-CE1 4.18Å; Y35-Y49 AromaticContact CE2-CG 3.47Å; Y35-Y49 HydrophobicContact CE2-CG 3.47Å; Y35-Y49 VanDerWaalsContact CE2-CG 3.47Å; Y35-Y49 HydrophobicContact CG-CD1 4.03Å; Y35-Y49 HydrophobicContact CG-CE1 4.33Å |
| 36 | T | 91.8 | Very high | 91.9 | Very high | 97 Ų | 97 | 44.3 Ų | 44.3 | 60% | 0.595 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 96 | -177.2 | 37.9 | 0 | 0 | 0 | 0 | 111.3 | H21 V22 | H21-T36 CarbonylContact O-C 3.45Å; V22-T36 HydrophobicContact CG2-CG2 4.06Å |
| 37 | V | 90.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 143.2 | 179 | -58.8 | 0 | 0 | 0 | 0 | 112.6 | L20 H21 I23 Y35 T41 I82 | L20-V37 WeakPolarHBondContact CA-O 3.06Å; H21-V37 HydrophobicContact CB-CG2 3.94Å; H21-V37 PolarHBondContact N-O 3.4Å; H21-V37 WeakPolarHBondContact O-CG2 2.9Å; H21-V37 PolarHBondContact O-N 3.07Å; I23-V37 HydrophobicContact CD1-CB 4.33Å; I23-V37 HydrophobicContact CD1-CG1 3.87Å; I23-V37 HydrophobicContact CD1-CG2 3.5Å; I23-V37 VanDerWaalsContact CD1-CG2 3.5Å; I23-V37 HydrophobicContact CG1-CG2 4.09Å; Y35-V37 HydrophobicContact CD1-CG1 3.5Å; Y35-V37 HydrophobicContact CE1-CG1 3.65Å; Y35-V37 PolarHBondContact O-N 2.74Å; V37-T41 HydrophobicContact CB-CG2 4.36Å; V37-T41 HydrophobicContact CG1-CG2 4.18Å; V37-I82 HydrophobicContact CG1-CB 4.48Å; V37-I82 HydrophobicContact CG1-CD1 3.96Å |
| 38 | S | 90.6 | Very high | 92 | Very high | 28 Ų | 28 | 43.6 Ų | 43.6 | 20% | 0.196 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 164.2 | 160.6 | 73 | 0 | 0 | 0 | 0 | 110.9 | D19 S40 T41 | D19-S38 WeakPolarHBondContact O-CA 3.45Å; S38-S40 PolarHBondContact O-N 3.25Å; S38-S40 PolarHBondContact OG-N 3.15Å; S38-S40 PolarHBondContact OG-OG 3.3Å; S38-T41 PolarHBondContact N-OG1 3.47Å; S38-T41 PolarHBondContact O-N 3.46Å; S38-T41 VanDerWaalsContact O-N 3.08Å; S38-T41 PolarHBondContact OG-N 3.02Å; S38-T41 PolarHBondContact OG-OG1 2.98Å |
| 39 | S | 87.9 | Confident | 92.1 | Very high | 43 Ų | 43 | 47.1 Ų | 47.1 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -11.2 | 171.1 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | D19 K84 | D19-S39 PolarHBondContact O-N 2.93Å; D19-S39 VanDerWaalsContact O-N 3.15Å; S39-K84 PolarHBondContact O-NZ 2.71Å |
| 40 | S | 89 | Confident | 92.3 | Very high | 86 Ų | 86 | 45.1 Ų | 45.1 | 60% | 0.601 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -27.4 | 171.8 | 27.9 | 0 | 0 | 0 | 0 | 115 | S38 T42 | S38-S40 PolarHBondContact O-N 3.25Å; S38-S40 PolarHBondContact OG-N 3.15Å; S38-S40 PolarHBondContact OG-OG 3.3Å; S40-T42 PolarHBondContact O-N 3.3Å |
| 41 | T | 93.9 | Very high | 92.6 | Very high | 17 Ų | 17 | 40.7 Ų | 40.7 | 10% | 0.104 | 22% | 0.224 | C | C | . | . | trans | -59.5 | 125.3 | -172.5 | -58.7 | 0 | 0 | 0 | 0 | 111.2 | Y35 V37 S38 D45 S81 I82 | Y35-T41 HydrophobicContact CE1-CG2 3.75Å; V37-T41 HydrophobicContact CB-CG2 4.36Å; V37-T41 HydrophobicContact CG1-CG2 4.18Å; S38-T41 PolarHBondContact N-OG1 3.47Å; S38-T41 PolarHBondContact O-N 3.46Å; S38-T41 VanDerWaalsContact O-N 3.08Å; S38-T41 PolarHBondContact OG-N 3.02Å; S38-T41 PolarHBondContact OG-OG1 2.98Å; T41-D45 HydrophobicContact CG2-CB 3.85Å; T41-S81 CarbonylContact O-C 3.19Å; T41-S81 WeakPolarHBondContact O-CA 3.36Å; T41-I82 HydrophobicContact CG2-CD1 4.44Å; T41-I82 PolarHBondContact O-N 2.95Å | ||
| 42 | T | 95.2 | Very high | 92.7 | Very high | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.233 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 162.6 | -179 | 71.3 | 0 | 0 | 0 | 0 | 112.1 | S40 R44 D45 A46 L78 K80 I82 | S40-T42 PolarHBondContact O-N 3.3Å; T42-R44 PolarHBondContact O-N 3.49Å; T42-R44 PolarHBondContact OG1-N 2.67Å; T42-D45 WeakPolarHBondContact CA-OD2 3.28Å; T42-D45 WeakPolarHBondContact CB-OD2 3.19Å; T42-D45 PolarHBondContact N-OD2 3.27Å; T42-D45 PolarHBondContact O-N 3.27Å; T42-D45 PolarHBondContact OG1-N 2.84Å; T42-D45 PolarHBondContact OG1-OD2 3.32Å; T42-A46 PolarHBondContact O-N 2.65Å; T42-L78 WeakPolarHBondContact CB-O 3.27Å; T42-K80 WeakPolarHBondContact CA-O 3.4Å; T42-I82 VanDerWaalsContact C-CG1 3.49Å; T42-I82 WeakPolarHBondContact O-CD1 3.34Å; T42-I82 WeakPolarHBondContact O-CG1 3.34Å |
| 43 | G | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -29.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | A46 L47 L78 K80 | G43-A46 PolarHBondContact O-N 2.98Å; G43-L47 WeakPolarHBondContact O-CB 3.3Å; G43-L47 PolarHBondContact O-N 3.23Å; G43-L78 WeakPolarHBondContact CA-O 3.07Å; G43-L78 PolarHBondContact N-O 2.85Å; G43-K80 PolarHBondContact N-O 2.76Å; G43-K80 VanDerWaalsContact N-O 3.12Å |
| 44 | R | 94.3 | Very high | 92.7 | Very high | 72 Ų | 72 | 47.4 Ų | 47.4 | 27% | 0.272 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 174.4 | -172.5 | 62.4 | 176.2 | -136.7 | -8.1 | 112.3 | T42 A46 L47 E48 L78 | T42-R44 PolarHBondContact O-N 3.49Å; T42-R44 PolarHBondContact OG1-N 2.67Å; R44-A46 VanDerWaalsContact C-N 3.26Å; R44-A46 PolarHBondContact O-N 2.69Å; R44-L47 PolarHBondContact O-N 3.05Å; R44-L47 VanDerWaalsContact O-N 3.08Å; R44-E48 WeakPolarHBondContact CG-OE1 3.38Å; R44-E48 IonicContact CZ-OE1 3.05Å; R44-E48 IonicContact NE-OE1 2.88Å; R44-E48 PolarHBondContact NE-OE1 3.47Å; R44-E48 IonicContact NH2-OE1 2.78Å; R44-E48 PolarHBondContact O-N 3.4Å; R44-L78 HydrophobicContact CB-CB 4.34Å; R44-L78 PolarHBondContact N-O 3.04Å |
| 45 | D | 94.6 | Very high | 92.5 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -36.3 | 177.2 | -55.3 | -54 | 0 | 0 | 0 | 112.1 | Y35 T41 T42 Y49 | Y35-D45 PolarHBondContact OH-O 2.91Å; T41-D45 HydrophobicContact CG2-CB 3.85Å; T42-D45 WeakPolarHBondContact CA-OD2 3.28Å; T42-D45 WeakPolarHBondContact CB-OD2 3.19Å; T42-D45 PolarHBondContact N-OD2 3.27Å; T42-D45 PolarHBondContact O-N 3.27Å; T42-D45 PolarHBondContact OG1-N 2.84Å; T42-D45 PolarHBondContact OG1-OD2 3.32Å; D45-Y49 PolarHBondContact O-N 2.93Å |
| 46 | A | 94.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -74.2 | -36.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I25 Y35 T42 G43 R44 Y49 V50 F64 I82 | I25-A46 HydrophobicContact CD1-CB 4.41Å; Y35-A46 HydrophobicContact CD1-CB 3.8Å; Y35-A46 HydrophobicContact CE1-CB 3.5Å; Y35-A46 VanDerWaalsContact CE1-CB 3.5Å; T42-A46 PolarHBondContact O-N 2.65Å; G43-A46 PolarHBondContact O-N 2.98Å; R44-A46 VanDerWaalsContact C-N 3.26Å; R44-A46 PolarHBondContact O-N 2.69Å; A46-Y49 PolarHBondContact O-N 3.04Å; A46-V50 WeakPolarHBondContact O-CB 3.08Å; A46-V50 VanDerWaalsContact O-CG2 3.32Å; A46-V50 WeakPolarHBondContact O-CG2 3.02Å; A46-V50 PolarHBondContact O-N 2.78Å; A46-F64 HydrophobicContact CB-CE2 3.83Å; A46-F64 HydrophobicContact CB-CZ 4.23Å; A46-I82 HydrophobicContact CB-CD1 3.42Å; A46-I82 VanDerWaalsContact CB-CD1 3.42Å |
| 47 | L | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 179.4 | -172.1 | 64.6 | 0 | 0 | 0 | 110.5 | G43 R44 V50 A51 F62 F64 L78 L97 | G43-L47 WeakPolarHBondContact O-CB 3.3Å; G43-L47 PolarHBondContact O-N 3.23Å; R44-L47 PolarHBondContact O-N 3.05Å; R44-L47 VanDerWaalsContact O-N 3.08Å; L47-V50 PolarHBondContact O-N 3.13Å; L47-A51 WeakPolarHBondContact O-CB 3.35Å; L47-A51 PolarHBondContact O-N 2.78Å; L47-F62 HydrophobicContact CD1-CB 3.94Å; L47-F64 HydrophobicContact CB-CE2 3.83Å; L47-F64 HydrophobicContact CB-CZ 4.21Å; L47-F64 HydrophobicContact CD1-CE1 4.44Å; L47-F64 HydrophobicContact CD1-CE2 4.08Å; L47-F64 HydrophobicContact CD1-CZ 3.94Å; L47-L78 HydrophobicContact CB-CD2 4.5Å; L47-L78 HydrophobicContact CD2-CD1 3.83Å; L47-L78 HydrophobicContact CD2-CD2 4.2Å; L47-L97 HydrophobicContact CD1-CD1 3.9Å |
| 48 | E | 94.6 | Very high | 92.1 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 31% | 0.308 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 175.4 | -69.8 | 174 | -171.8 | 0 | 0 | 111.6 | R44 Q52 I59 | R44-E48 WeakPolarHBondContact CG-OE1 3.38Å; R44-E48 IonicContact CZ-OE1 3.05Å; R44-E48 IonicContact NE-OE1 2.88Å; R44-E48 PolarHBondContact NE-OE1 3.47Å; R44-E48 IonicContact NH2-OE1 2.78Å; R44-E48 PolarHBondContact O-N 3.4Å; E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 WeakPolarHBondContact O-CG 3.2Å; E48-Q52 PolarHBondContact O-N 2.73Å; E48-I59 HydrophobicContact CG-CD1 3.96Å |
| 49 | Y | 93.8 | Very high | 92.1 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 173 | 175.2 | -99.1 | 0 | 0 | 0 | 113.5 | V33 Y35 D45 A46 K53 | V33-Y49 HydrophobicContact CG1-CE1 3.93Å; Y35-Y49 AromaticContact CD2-CD1 3.21Å; Y35-Y49 HydrophobicContact CD2-CD1 3.21Å; Y35-Y49 HydrophobicContact CD2-CD2 4.33Å; Y35-Y49 AromaticContact CD2-CE1 3.51Å; Y35-Y49 HydrophobicContact CD2-CE1 3.51Å; Y35-Y49 AromaticContact CD2-CG 3.67Å; Y35-Y49 HydrophobicContact CD2-CG 3.67Å; Y35-Y49 AromaticContact CE2-CD1 3.56Å; Y35-Y49 HydrophobicContact CE2-CD1 3.56Å; Y35-Y49 HydrophobicContact CE2-CD2 4.04Å; Y35-Y49 HydrophobicContact CE2-CE1 4.18Å; Y35-Y49 AromaticContact CE2-CG 3.47Å; Y35-Y49 HydrophobicContact CE2-CG 3.47Å; Y35-Y49 VanDerWaalsContact CE2-CG 3.47Å; Y35-Y49 HydrophobicContact CG-CD1 4.03Å; Y35-Y49 HydrophobicContact CG-CE1 4.33Å; D45-Y49 PolarHBondContact O-N 2.93Å; A46-Y49 PolarHBondContact O-N 3.04Å; Y49-K53 PolarHBondContact O-N 3.36Å; Y49-K53 VanDerWaalsContact O-N 3.14Å |
| 50 | V | 93.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.2 | -41 | 179 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | I25 V33 A46 L47 K53 L54 F64 L97 | I25-V50 HydrophobicContact CD1-CG2 3.69Å; I25-V50 HydrophobicContact CG2-CG2 4.2Å; V33-V50 HydrophobicContact CG1-CG2 4.46Å; A46-V50 WeakPolarHBondContact O-CB 3.08Å; A46-V50 VanDerWaalsContact O-CG2 3.32Å; A46-V50 WeakPolarHBondContact O-CG2 3.02Å; A46-V50 PolarHBondContact O-N 2.78Å; L47-V50 PolarHBondContact O-N 3.13Å; V50-K53 PolarHBondContact O-N 3.19Å; V50-K53 VanDerWaalsContact O-N 3.09Å; V50-L54 HydrophobicContact CG1-CD1 3.72Å; V50-L54 HydrophobicContact CG1-CG 4.4Å; V50-L54 WeakPolarHBondContact O-CG 2.43Å; V50-L54 PolarHBondContact O-N 2.97Å; V50-F64 HydrophobicContact CB-CZ 4.29Å; V50-F64 HydrophobicContact CG2-CE1 4.31Å; V50-F64 HydrophobicContact CG2-CZ 4.03Å; V50-L97 HydrophobicContact CG1-CD1 4.24Å; V50-L97 HydrophobicContact CG1-CD2 4.14Å |
| 51 | A | 92.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 47.2 Ų | 47.2 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.9 | -46.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L47 K53 L54 D55 I56 I59 | L47-A51 WeakPolarHBondContact O-CB 3.35Å; L47-A51 PolarHBondContact O-N 2.78Å; A51-K53 PolarHBondContact O-N 2.73Å; A51-L54 CarbonylContact O-C 3.1Å; A51-L54 PolarHBondContact O-N 3.24Å; A51-L54 VanDerWaalsContact O-N 3.08Å; A51-D55 PolarHBondContact O-N 3.29Å; A51-I56 HydrophobicContact CB-CB 4.24Å; A51-I56 PolarHBondContact O-N 3.45Å; A51-I59 HydrophobicContact CB-CG2 3.33Å |
| 52 | Q | 92.7 | Very high | 92.4 | Very high | 110 Ų | 110 | 46.6 Ų | 46.6 | 51% | 0.514 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.2 | -28.9 | 173.4 | -76.6 | -171.8 | -51.4 | 0 | 0 | 113.8 | E48 | E48-Q52 WeakPolarHBondContact O-CB 3.23Å; E48-Q52 WeakPolarHBondContact O-CG 3.2Å; E48-Q52 PolarHBondContact O-N 2.73Å |
| 53 | K | 91.3 | Very high | 92.4 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 51% | 0.513 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -79.7 | -21.1 | 176.2 | -166.9 | -178.2 | 174 | -168.8 | 0 | 112.7 | V33 Y49 V50 A51 | V33-K53 HydrophobicContact CB-CD 4.45Å; V33-K53 HydrophobicContact CG1-CD 3.7Å; V33-K53 HydrophobicContact CG2-CD 3.91Å; Y49-K53 PolarHBondContact O-N 3.36Å; Y49-K53 VanDerWaalsContact O-N 3.14Å; V50-K53 PolarHBondContact O-N 3.19Å; V50-K53 VanDerWaalsContact O-N 3.09Å; A51-K53 PolarHBondContact O-N 2.73Å |
| 54 | L | 90.9 | Very high | 92.5 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 6.5 | -177.4 | -61.2 | 175.8 | 0 | 0 | 0 | 113.1 | T27 V50 A51 I56 L97 Q113 W117 | T27-L54 HydrophobicContact CG2-CD1 3.89Å; T27-L54 HydrophobicContact CG2-CD2 4.32Å; V50-L54 HydrophobicContact CG1-CD1 3.72Å; V50-L54 HydrophobicContact CG1-CG 4.4Å; V50-L54 WeakPolarHBondContact O-CG 2.43Å; V50-L54 PolarHBondContact O-N 2.97Å; A51-L54 CarbonylContact O-C 3.1Å; A51-L54 PolarHBondContact O-N 3.24Å; A51-L54 VanDerWaalsContact O-N 3.08Å; L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 HydrophobicContact CB-CD1 3.75Å; L54-I56 HydrophobicContact CB-CG1 3.84Å; L54-I56 HydrophobicContact CD1-CD1 4.01Å; L54-I56 PolarHBondContact O-N 3.21Å; L54-L97 HydrophobicContact CD1-CD2 3.68Å; L54-Q113 PolarHBondContact O-NE2 2.7Å; L54-W117 HydrophobicContact CB-CZ2 4.5Å; L54-W117 HydrophobicContact CD1-CH2 4.37Å; L54-W117 HydrophobicContact CD1-CZ2 3.94Å; L54-W117 HydrophobicContact CD2-CZ2 4.23Å; L54-W117 HydrophobicContact CG-CZ2 4.45Å |
| 55 | D | 89.7 | Confident | 92.5 | Very high | 100 Ų | 100 | 42 Ų | 42 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.8 | -175.6 | -136.7 | 18.9 | 0 | 0 | 0 | 114.9 | A51 | A51-D55 PolarHBondContact O-N 3.29Š|
| 56 | I | 89.9 | Confident | 92.5 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | trans | -90.9 | 112.7 | -178.6 | -57.6 | 171.5 | 0 | 0 | 0 | 110.4 | A51 L54 F62 | A51-I56 HydrophobicContact CB-CB 4.24Å; A51-I56 PolarHBondContact O-N 3.45Å; L54-I56 VanDerWaalsContact C-N 3.27Å; L54-I56 HydrophobicContact CB-CD1 3.75Å; L54-I56 HydrophobicContact CB-CG1 3.84Å; L54-I56 HydrophobicContact CD1-CD1 4.01Å; L54-I56 PolarHBondContact O-N 3.21Å; I56-F62 HydrophobicContact CD1-CE1 4.48Å; I56-F62 HydrophobicContact CD1-CE2 4.27Å; I56-F62 HydrophobicContact CD1-CZ 4.14Å; I56-F62 HydrophobicContact CG2-CD2 4Å; I56-F62 HydrophobicContact CG2-CE2 3.59Å; I56-F62 HydrophobicContact CG2-CZ 4.38Å | ||
| 57 | E | 87 | Confident | 92.5 | Very high | 174 Ų | 174 | 40.5 Ų | 40.5 | 81% | 0.813 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -78.6 | -43.3 | 173.2 | -61.1 | -155.6 | 140.8 | 0 | 0 | 112.9 | I59 | E57-I59 VanDerWaalsContact C-N 3.25Å; E57-I59 PolarHBondContact O-N 3.49Å |
| 58 | D | 88.8 | Confident | 92.3 | Very high | 33 Ų | 33 | 41 Ų | 41 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | trans | -81.3 | 59.1 | -173.9 | -71 | -39.4 | 0 | 0 | 0 | 113.8 | Y60 F61 I114 H313 | D58-Y60 HydrophobicContact CB-CE1 3.81Å; D58-Y60 HydrophobicContact CB-CE2 4.08Å; D58-Y60 VanDerWaalsContact CG-CZ 3.48Å; D58-Y60 PolarHBondContact O-N 3.11Å; D58-Y60 WeakPolarHBondContact OD1-CE1 3.19Å; D58-Y60 PolarHBondContact OD1-OH 2.73Å; D58-Y60 PolarHBondContact OD2-OH 3.5Å; D58-F61 HydrophobicContact CB-CD2 3.75Å; D58-F61 HydrophobicContact CB-CE2 3.74Å; D58-F61 WeakPolarHBondContact O-CD2 3.07Å; D58-F61 PolarHBondContact O-N 2.85Å; D58-I114 HydrophobicContact CB-CD1 3.7Å; D58-H313 IonicContact OD1-CE1 2.61Å; D58-H313 PolarHBondContact OD1-CE1 2.54Å; D58-H313 IonicContact OD1-ND1 2.72Å; D58-H313 PolarHBondContact OD1-ND1 3Å | ||
| 59 | I | 91.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -60.2 | -11 | -176.3 | 63 | 177.7 | 0 | 0 | 0 | 115.4 | E48 A51 E57 F61 F62 | E48-I59 HydrophobicContact CG-CD1 3.96Å; A51-I59 HydrophobicContact CB-CG2 3.33Å; E57-I59 VanDerWaalsContact C-N 3.25Å; E57-I59 PolarHBondContact O-N 3.49Å; I59-F61 VanDerWaalsContact C-N 3.33Å; I59-F62 PolarHBondContact O-N 2.68Å |
| 60 | Y | 90.8 | Very high | 91.8 | Very high | 24 Ų | 24 | 46.9 Ų | 46.9 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -73.7 | -19.8 | -179.6 | 48 | -100.6 | 0 | 0 | 0 | 113.8 | D58 F62 S306 Y310 H313 | D58-Y60 HydrophobicContact CB-CE1 3.81Å; D58-Y60 HydrophobicContact CB-CE2 4.08Å; D58-Y60 VanDerWaalsContact CG-CZ 3.48Å; D58-Y60 PolarHBondContact O-N 3.11Å; D58-Y60 WeakPolarHBondContact OD1-CE1 3.19Å; D58-Y60 PolarHBondContact OD1-OH 2.73Å; D58-Y60 PolarHBondContact OD2-OH 3.5Å; Y60-F62 VanDerWaalsContact C-N 3.32Å; Y60-S306 WeakPolarHBondContact O-CB 3.41Å; Y60-S306 PolarHBondContact O-OG 3.15Å; Y60-S306 VanDerWaalsContact O-OG 3.14Å; Y60-Y310 HydrophobicContact CD2-CD2 4.17Å; Y60-Y310 AromaticContact CE2-CD2 3.69Å; Y60-Y310 HydrophobicContact CE2-CD2 3.69Å; Y60-Y310 HydrophobicContact CE2-CG 4.4Å; Y60-H313 HydrophobicContact CE1-CB 3.94Å; Y60-H313 AromaticContact CE1-CG 3.84Å; Y60-H313 AromaticContact CE1-ND1 3.58Å; Y60-H313 AromaticContact CZ-ND1 3.61Å; Y60-H313 PolarHBondContact OH-ND1 3.07Å |
| 61 | F | 92.5 | Very high | 91.3 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -71.1 | -25.5 | 172.2 | -65.5 | -58.6 | 0 | 0 | 0 | 113.3 | D58 I59 M100 L101 I103 I114 F118 Y310 | D58-F61 HydrophobicContact CB-CD2 3.75Å; D58-F61 HydrophobicContact CB-CE2 3.74Å; D58-F61 WeakPolarHBondContact O-CD2 3.07Å; D58-F61 PolarHBondContact O-N 2.85Å; I59-F61 VanDerWaalsContact C-N 3.33Å; F61-M100 PolarHBondContact O-N 3.36Å; F61-L101 HydrophobicContact CD1-CD2 4.46Å; F61-L101 PolarHBondContact O-N 3.26Å; F61-L101 VanDerWaalsContact O-N 3.13Å; F61-I103 HydrophobicContact CD1-CG2 4.49Å; F61-I103 HydrophobicContact CE1-CG2 3.67Å; F61-I103 HydrophobicContact CZ-CG2 4.47Å; F61-I114 HydrophobicContact CD2-CG2 4.12Å; F61-I114 HydrophobicContact CE2-CG2 4.21Å; F61-F118 HydrophobicContact CD1-CZ 4.07Å; F61-F118 HydrophobicContact CE1-CZ 4.36Å; F61-F118 HydrophobicContact CG-CZ 4.39Å; F61-Y310 AromaticContact CE1-CD2 3.72Å; F61-Y310 HydrophobicContact CE1-CD2 3.72Å; F61-Y310 AromaticContact CE1-CE2 3.87Å; F61-Y310 HydrophobicContact CE1-CE2 3.87Å; F61-Y310 HydrophobicContact CZ-CD2 4.01Å; F61-Y310 AromaticContact CZ-CE2 4Å; F61-Y310 HydrophobicContact CZ-CE2 4Å |
| 62 | F | 94.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 157 | -162.1 | -65.2 | -86.4 | 0 | 0 | 0 | 114.2 | L47 I56 I59 Y60 L97 T98 V99 I114 W117 | L47-F62 HydrophobicContact CD1-CB 3.94Å; I56-F62 HydrophobicContact CD1-CE1 4.48Å; I56-F62 HydrophobicContact CD1-CE2 4.27Å; I56-F62 HydrophobicContact CD1-CZ 4.14Å; I56-F62 HydrophobicContact CG2-CD2 4Å; I56-F62 HydrophobicContact CG2-CE2 3.59Å; I56-F62 HydrophobicContact CG2-CZ 4.38Å; I59-F62 PolarHBondContact O-N 2.68Å; Y60-F62 VanDerWaalsContact C-N 3.32Å; F62-L97 HydrophobicContact CB-CD1 4.25Å; F62-L97 HydrophobicContact CD1-CD1 4.26Å; F62-L97 HydrophobicContact CD1-CD2 4.46Å; F62-L97 HydrophobicContact CD1-CG 4.27Å; F62-T98 WeakPolarHBondContact CA-O 3.43Å; F62-V99 HydrophobicContact CD1-CG2 4.4Å; F62-V99 HydrophobicContact CE1-CG2 4.04Å; F62-I114 HydrophobicContact CE2-CG1 4.3Å; F62-I114 HydrophobicContact CZ-CG1 4.4Å; F62-W117 HydrophobicContact CE1-CB 3.92Å; F62-W117 HydrophobicContact CE1-CG 4.04Å; F62-W117 HydrophobicContact CZ-CB 3.95Å; F62-W117 AromaticContact CZ-CD1 3.75Å; F62-W117 HydrophobicContact CZ-CG 4Å |
| 63 | G | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -168.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | T98 | G63-T98 PolarHBondContact N-O 3.42Å; G63-T98 WeakPolarHBondContact O-CG2 3.17Å; G63-T98 PolarHBondContact O-N 3.02Å |
| 64 | F | 96 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.8 | 173.1 | -60.6 | -64.8 | 0 | 0 | 0 | 111.5 | I25 A46 L47 V50 C75 L76 L78 L95 T96 L97 | I25-F64 HydrophobicContact CD1-CE1 4.43Å; I25-F64 HydrophobicContact CD1-CZ 4.32Å; I25-F64 HydrophobicContact CG2-CD1 3.93Å; I25-F64 HydrophobicContact CG2-CE1 3.48Å; I25-F64 VanDerWaalsContact CG2-CE1 3.48Å; I25-F64 HydrophobicContact CG2-CZ 4.34Å; A46-F64 HydrophobicContact CB-CE2 3.83Å; A46-F64 HydrophobicContact CB-CZ 4.23Å; L47-F64 HydrophobicContact CB-CE2 3.83Å; L47-F64 HydrophobicContact CB-CZ 4.21Å; L47-F64 HydrophobicContact CD1-CE1 4.44Å; L47-F64 HydrophobicContact CD1-CE2 4.08Å; L47-F64 HydrophobicContact CD1-CZ 3.94Å; V50-F64 HydrophobicContact CB-CZ 4.29Å; V50-F64 HydrophobicContact CG2-CE1 4.31Å; V50-F64 HydrophobicContact CG2-CZ 4.03Å; F64-C75 CarbonylContact O-C 3.14Å; F64-C75 WeakPolarHBondContact O-CA 3.12Å; F64-C75 PolarHBondContact O-SG 3.15Å; F64-L76 HydrophobicContact CB-CB 3.94Å; F64-L76 HydrophobicContact CB-CD2 4.12Å; F64-L76 HydrophobicContact CD2-CD2 4.01Å; F64-L76 HydrophobicContact CG-CD2 4.49Å; F64-L76 PolarHBondContact O-N 2.68Å; F64-L78 HydrophobicContact CD2-CD2 4.36Å; F64-L95 HydrophobicContact CB-CB 4.41Å; F64-L95 HydrophobicContact CB-CD1 4.44Å; F64-L95 HydrophobicContact CB-CD2 4.26Å; F64-L95 HydrophobicContact CD1-CB 4.38Å; F64-L95 HydrophobicContact CD2-CD1 4.37Å; F64-L95 HydrophobicContact CG-CD1 4.23Å; F64-T96 CarbonylContact C-O 3.5Å; F64-T96 VanDerWaalsContact CA-O 3.28Å; F64-T96 WeakPolarHBondContact CA-O 3.47Å; F64-L97 HydrophobicContact CD1-CB 4.43Å; F64-L97 HydrophobicContact CD1-CD1 4.25Å; F64-L97 HydrophobicContact CE1-CB 4.32Å; F64-L97 HydrophobicContact CE1-CD1 3.78Å; F64-L97 HydrophobicContact CZ-CD1 4.5Å |
| 65 | T | 94.5 | Very high | 90.8 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 9% | 0.086 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 160 | 165.1 | 36.6 | 0 | 0 | 0 | 0 | 111 | Q73 K74 L95 T96 T98 | T65-Q73 HydrophobicContact CG2-CB 4.49Å; T65-K74 CarbonylContact C-O 3.48Å; T65-K74 VanDerWaalsContact CA-O 3.31Å; T65-K74 WeakPolarHBondContact CA-O 3.39Å; T65-L95 CarbonylContact O-C 3.37Å; T65-L95 WeakPolarHBondContact O-CA 3.36Å; T65-T96 PolarHBondContact N-O 2.85Å; T65-T96 PolarHBondContact O-N 3.32Å; T65-T96 PolarHBondContact OG1-O 2.71Å; T65-T98 HydrophobicContact CG2-CG2 3.98Å |
| 66 | Y | 94.6 | Very high | 91 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.02 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 150.1 | 168 | 60.5 | -86.7 | 0 | 0 | 0 | 109.4 | D68 K74 L76 L86 Y89 A90 | Y66-D68 HydrophobicContact CD2-CB 4.38Å; Y66-D68 HydrophobicContact CE2-CB 3.99Å; Y66-D68 PolarHBondContact O-N 2.92Å; Y66-K74 VanDerWaalsContact CD1-O 3.25Å; Y66-K74 WeakPolarHBondContact CD1-O 2.98Å; Y66-K74 HydrophobicContact CE1-CB 4.37Å; Y66-K74 WeakPolarHBondContact CE1-O 3.34Å; Y66-K74 HydrophobicContact CE2-CB 4.19Å; Y66-K74 PolarHBondContact N-O 2.68Å; Y66-K74 PolarHBondContact O-N 3.17Å; Y66-L76 HydrophobicContact CD1-CB 4.36Å; Y66-L76 HydrophobicContact CD1-CD1 4.15Å; Y66-L76 HydrophobicContact CE1-CD1 4.24Å; Y66-L86 HydrophobicContact CD1-CD2 4.25Å; Y66-L86 HydrophobicContact CD2-CD2 4.42Å; Y66-L86 HydrophobicContact CG-CD2 3.93Å; Y66-Y89 WeakPolarHBondContact OH-CB 3.25Å; Y66-A90 HydrophobicContact CD2-CB 3.49Å; Y66-A90 VanDerWaalsContact CD2-CB 3.49Å; Y66-A90 HydrophobicContact CE2-CB 4.14Å; Y66-A90 HydrophobicContact CG-CB 4.13Å |
| 67 | E | 92.9 | Very high | 91.2 | Very high | 35 Ų | 35 | 41.6 Ų | 41.6 | 16% | 0.164 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 121.5 | 168.6 | -168.9 | -160.7 | 175 | 0 | 0 | 109.4 | A90 R91 Q92 | E67-A90 CarbonylContact O-C 3.45Å; E67-A90 WeakPolarHBondContact O-CA 3.15Å; E67-R91 VanDerWaalsContact CD-CD 3.43Å; E67-R91 HydrophobicContact CG-CB 4.49Å; E67-R91 PolarHBondContact O-N 3.32Å; E67-R91 WeakPolarHBondContact OE1-CD 3.35Å; E67-R91 IonicContact OE1-CZ 3.22Å; E67-R91 IonicContact OE1-NE 2.85Å; E67-R91 IonicContact OE1-NH1 2.7Å; E67-R91 PolarHBondContact OE1-NH1 3.01Å; E67-Q92 PolarHBondContact OE2-NE2 3.36Å |
| 68 | D | 91.8 | Very high | 91.5 | Very high | 14 Ų | 14 | 33.8 Ų | 33.8 | 8% | 0.075 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -88.1 | 177.2 | 177.9 | 99.8 | -32.2 | 0 | 0 | 0 | 112.8 | Y66 T70 G71 E72 K74 Y89 | Y66-D68 HydrophobicContact CD2-CB 4.38Å; Y66-D68 HydrophobicContact CE2-CB 3.99Å; Y66-D68 PolarHBondContact O-N 2.92Å; D68-T70 VanDerWaalsContact CG-OG1 3.32Å; D68-T70 PolarHBondContact O-N 2.87Å; D68-T70 VanDerWaalsContact O-N 3.07Å; D68-T70 WeakPolarHBondContact OD1-CA 3.42Å; D68-T70 WeakPolarHBondContact OD1-CB 2.93Å; D68-T70 PolarHBondContact OD1-N 3.12Å; D68-T70 PolarHBondContact OD1-OG1 3.33Å; D68-T70 PolarHBondContact OD2-OG1 2.86Å; D68-G71 PolarHBondContact O-N 3.43Å; D68-G71 PolarHBondContact OD1-N 3.11Å; D68-E72 PolarHBondContact N-O 3.03Å; D68-E72 PolarHBondContact OD1-N 2.75Å; D68-E72 VanDerWaalsContact OD1-N 3.09Å; D68-K74 HydrophobicContact CB-CD 4.12Å; D68-K74 HydrophobicContact CB-CG 4.42Å; D68-K74 IonicContact OD1-NZ 3.61Å; D68-K74 WeakPolarHBondContact OD2-CD 3.4Å; D68-K74 IonicContact OD2-NZ 3.13Å; D68-K74 PolarHBondContact OD2-NZ 3.36Å; D68-Y89 WeakPolarHBondContact CA-O 3.49Å; D68-Y89 WeakPolarHBondContact CB-O 3.06Å |
| 69 | W | 89.9 | Confident | 91.7 | Very high | 168 Ų | 168 | 38.9 Ų | 38.9 | 64% | 0.636 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -13 | 179.2 | -60.1 | 110.9 | 0 | 0 | 0 | 115.5 | K88 Y89 A90 R91 | W69-K88 PolarHBondContact NE1-O 2.76Å; W69-Y89 PolarHBondContact N-O 3.43Å; W69-A90 WeakPolarHBondContact CZ2-O 3.5Å; W69-R91 HydrophobicContact CE3-CB 4.3Å; W69-R91 HydrophobicContact CE3-CG 4.38Å |
| 70 | T | 87 | Confident | 91.8 | Very high | 102 Ų | 102 | 40.5 Ų | 40.5 | 63% | 0.626 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -5.7 | 174.1 | 62.8 | 0 | 0 | 0 | 0 | 113.1 | D68 | D68-T70 VanDerWaalsContact CG-OG1 3.32Å; D68-T70 PolarHBondContact O-N 2.87Å; D68-T70 VanDerWaalsContact O-N 3.07Å; D68-T70 WeakPolarHBondContact OD1-CA 3.42Å; D68-T70 WeakPolarHBondContact OD1-CB 2.93Å; D68-T70 PolarHBondContact OD1-N 3.12Å; D68-T70 PolarHBondContact OD1-OG1 3.33Å; D68-T70 PolarHBondContact OD2-OG1 2.86Å |
| 71 | G | 84.2 | Confident | 91.9 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 37% | 0.371 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 89 | -3.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D68 | D68-G71 PolarHBondContact O-N 3.43Å; D68-G71 PolarHBondContact OD1-N 3.11Å |
| 72 | E | 84.1 | Confident | 91.9 | Very high | 105 Ų | 105 | 39.9 Ų | 39.9 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | trans | -76.1 | 140.2 | -178.7 | -71.9 | -174.1 | 171.9 | 0 | 0 | 112.1 | D68 K74 | D68-E72 PolarHBondContact N-O 3.03Å; D68-E72 PolarHBondContact OD1-N 2.75Å; D68-E72 VanDerWaalsContact OD1-N 3.09Å; E72-K74 HydrophobicContact CB-CG 4.31Å; E72-K74 PolarHBondContact O-N 2.7Å; E72-K74 VanDerWaalsContact O-N 3.07Å; E72-K74 WeakPolarHBondContact OE2-CE 3.28Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.11Å | ||
| 73 | Q | 88.7 | Confident | 91.8 | Very high | 70 Ų | 70 | 42 Ų | 42 | 33% | 0.327 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 88.9 | 175.4 | -67.2 | -60.1 | -32.3 | 0 | 0 | 111.2 | T65 R221 | T65-Q73 HydrophobicContact CG2-CB 4.49Å; Q73-R221 PolarHBondContact O-NH1 2.72Å; Q73-R221 PolarHBondContact O-NH2 3.46Å |
| 74 | K | 90.7 | Very high | 91.6 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 140.1 | -178.6 | -72 | -173.8 | 172.2 | 109.6 | 0 | 111.3 | T65 Y66 D68 E72 Y295 | T65-K74 CarbonylContact C-O 3.48Å; T65-K74 VanDerWaalsContact CA-O 3.31Å; T65-K74 WeakPolarHBondContact CA-O 3.39Å; Y66-K74 VanDerWaalsContact CD1-O 3.25Å; Y66-K74 WeakPolarHBondContact CD1-O 2.98Å; Y66-K74 HydrophobicContact CE1-CB 4.37Å; Y66-K74 WeakPolarHBondContact CE1-O 3.34Å; Y66-K74 HydrophobicContact CE2-CB 4.19Å; Y66-K74 PolarHBondContact N-O 2.68Å; Y66-K74 PolarHBondContact O-N 3.17Å; D68-K74 HydrophobicContact CB-CD 4.12Å; D68-K74 HydrophobicContact CB-CG 4.42Å; D68-K74 IonicContact OD1-NZ 3.61Å; D68-K74 WeakPolarHBondContact OD2-CD 3.4Å; D68-K74 IonicContact OD2-NZ 3.13Å; D68-K74 PolarHBondContact OD2-NZ 3.36Å; E72-K74 HydrophobicContact CB-CG 4.31Å; E72-K74 PolarHBondContact O-N 2.7Å; E72-K74 VanDerWaalsContact O-N 3.07Å; E72-K74 WeakPolarHBondContact OE2-CE 3.28Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.11Å; K74-Y295 HydrophobicContact CB-CE2 3.96Å; K74-Y295 HydrophobicContact CD-CE2 4.44Å; K74-Y295 HydrophobicContact CG-CE2 4.28Å |
| 75 | C | 92.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 138.4 | -178.4 | -172.7 | 0 | 0 | 0 | 0 | 110.8 | F64 Y295 F299 | F64-C75 CarbonylContact O-C 3.14Å; F64-C75 WeakPolarHBondContact O-CA 3.12Å; F64-C75 PolarHBondContact O-SG 3.15Å; C75-Y295 VanDerWaalsContact CB-OH 3.32Å; C75-Y295 WeakPolarHBondContact CB-OH 3.3Å; C75-Y295 PolarHBondContact N-OH 2.84Å; C75-F299 HydrophobicContact CB-CD2 4.25Å; C75-F299 HydrophobicContact CB-CE2 4.3Å |
| 76 | L | 94.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -77.5 | 130 | 172.6 | -167.7 | 77.9 | 0 | 0 | 0 | 109.7 | F64 Y66 L78 I82 Q85 L95 Q302 | F64-L76 HydrophobicContact CB-CB 3.94Å; F64-L76 HydrophobicContact CB-CD2 4.12Å; F64-L76 HydrophobicContact CD2-CD2 4.01Å; F64-L76 HydrophobicContact CG-CD2 4.49Å; F64-L76 PolarHBondContact O-N 2.68Å; Y66-L76 HydrophobicContact CD1-CB 4.36Å; Y66-L76 HydrophobicContact CD1-CD1 4.15Å; Y66-L76 HydrophobicContact CE1-CD1 4.24Å; L76-L78 PolarHBondContact O-N 3.37Å; L76-I82 HydrophobicContact CD2-CG1 4.19Å; L76-I82 HydrophobicContact CD2-CG2 4.26Å; L76-Q85 HydrophobicContact CD1-CB 3.8Å; L76-Q85 HydrophobicContact CD1-CG 4.33Å; L76-L95 HydrophobicContact CD1-CD2 4.24Å; L76-L95 HydrophobicContact CD2-CD1 4.11Å; L76-L95 HydrophobicContact CD2-CD2 4.06Å; L76-Q302 PolarHBondContact O-NE2 3.17Å |
| 77 | F | 94.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 51.3 Ų | 51.3 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | trans | -79.9 | 116 | 175.8 | -58.4 | -76.6 | 0 | 0 | 0 | 110.2 | N79 K80 Q85 Y295 Q298 Q302 | F77-N79 VanDerWaalsContact C-N 3.29Å; F77-N79 PolarHBondContact O-N 3.47Å; F77-K80 HydrophobicContact CB-CD 3.85Å; F77-K80 HydrophobicContact CB-CG 4.17Å; F77-K80 HydrophobicContact CD2-CD 4.44Å; F77-K80 HydrophobicContact CG-CD 4.44Å; F77-K80 PolarHBondContact O-N 2.92Å; F77-Q85 PolarHBondContact O-NE2 2.84Å; F77-Y295 AromaticContact CE2-CD2 3.73Å; F77-Y295 HydrophobicContact CE2-CD2 3.73Å; F77-Y295 AromaticContact CE2-CE2 3.95Å; F77-Y295 HydrophobicContact CE2-CE2 3.95Å; F77-Y295 AromaticContact CZ-CD2 3.47Å; F77-Y295 HydrophobicContact CZ-CD2 3.47Å; F77-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F77-Y295 AromaticContact CZ-CE2 3.66Å; F77-Y295 HydrophobicContact CZ-CE2 3.66Å; F77-Y295 HydrophobicContact CZ-CG 4.14Å; F77-Q298 HydrophobicContact CD1-CB 3.83Å; F77-Q298 VanDerWaalsContact CE1-C 3.48Å; F77-Q298 HydrophobicContact CE1-CB 3.3Å; F77-Q298 HydrophobicContact CE2-CB 4.48Å; F77-Q298 HydrophobicContact CZ-CB 3.65Å; F77-Q302 VanDerWaalsContact CA-OE1 3.29Å | ||
| 78 | L | 93.4 | Very high | 91.2 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -38 | -170.3 | -61.6 | 178.8 | 0 | 0 | 0 | 112.1 | T42 G43 R44 L47 F64 L76 K80 | T42-L78 WeakPolarHBondContact CB-O 3.27Å; G43-L78 WeakPolarHBondContact CA-O 3.07Å; G43-L78 PolarHBondContact N-O 2.85Å; R44-L78 HydrophobicContact CB-CB 4.34Å; R44-L78 PolarHBondContact N-O 3.04Å; L47-L78 HydrophobicContact CB-CD2 4.5Å; L47-L78 HydrophobicContact CD2-CD1 3.83Å; L47-L78 HydrophobicContact CD2-CD2 4.2Å; F64-L78 HydrophobicContact CD2-CD2 4.36Å; L76-L78 PolarHBondContact O-N 3.37Å; L78-K80 PolarHBondContact O-N 2.74Å; L78-K80 VanDerWaalsContact O-N 3.07Å |
| 79 | N | 91.7 | Very high | 91.1 | Very high | 139 Ų | 139 | 56.3 Ų | 56.3 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 12.6 | -179.7 | -67.7 | -37.4 | 0 | 0 | 0 | 114.9 | F77 | F77-N79 VanDerWaalsContact C-N 3.29Å; F77-N79 PolarHBondContact O-N 3.47Å |
| 80 | K | 93.1 | Very high | 91.2 | Very high | 65 Ų | 65 | 48.5 Ų | 48.5 | 28% | 0.283 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -128.1 | 150.5 | 179.8 | -59.5 | 178.2 | -159.7 | 150.6 | 0 | 110.9 | T42 G43 F77 L78 I82 Q85 | T42-K80 WeakPolarHBondContact CA-O 3.4Å; G43-K80 PolarHBondContact N-O 2.76Å; G43-K80 VanDerWaalsContact N-O 3.12Å; F77-K80 HydrophobicContact CB-CD 3.85Å; F77-K80 HydrophobicContact CB-CG 4.17Å; F77-K80 HydrophobicContact CD2-CD 4.44Å; F77-K80 HydrophobicContact CG-CD 4.44Å; F77-K80 PolarHBondContact O-N 2.92Å; L78-K80 PolarHBondContact O-N 2.74Å; L78-K80 VanDerWaalsContact O-N 3.07Å; K80-I82 PolarHBondContact O-N 3.07Å; K80-Q85 HydrophobicContact CB-CG 4.25Å; K80-Q85 PolarHBondContact O-NE2 2.73Å |
| 81 | S | 93.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 50.9 Ų | 50.9 | 13% | 0.126 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -63.5 | 123.6 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | T41 K83 K84 | T41-S81 CarbonylContact O-C 3.19Å; T41-S81 WeakPolarHBondContact O-CA 3.36Å; S81-K83 PolarHBondContact O-N 2.72Å; S81-K84 PolarHBondContact O-N 3.22Å; S81-K84 WeakPolarHBondContact OG-CD 3.24Å; S81-K84 VanDerWaalsContact OG-CG 3.31Å; S81-K84 WeakPolarHBondContact OG-CG 3.38Å; S81-K84 PolarHBondContact OG-NZ 2.76Å |
| 82 | I | 94.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -53.9 | -53.8 | -170.8 | -54.7 | -177.5 | 0 | 0 | 0 | 111.4 | I23 V37 T41 T42 A46 L76 K80 K84 Q85 L86 L95 | I23-I82 HydrophobicContact CD1-CG2 3.66Å; V37-I82 HydrophobicContact CG1-CB 4.48Å; V37-I82 HydrophobicContact CG1-CD1 3.96Å; T41-I82 HydrophobicContact CG2-CD1 4.44Å; T41-I82 PolarHBondContact O-N 2.95Å; T42-I82 VanDerWaalsContact C-CG1 3.49Å; T42-I82 WeakPolarHBondContact O-CD1 3.34Å; T42-I82 WeakPolarHBondContact O-CG1 3.34Å; A46-I82 HydrophobicContact CB-CD1 3.42Å; A46-I82 VanDerWaalsContact CB-CD1 3.42Å; L76-I82 HydrophobicContact CD2-CG1 4.19Å; L76-I82 HydrophobicContact CD2-CG2 4.26Å; K80-I82 PolarHBondContact O-N 3.07Å; I82-K84 VanDerWaalsContact C-N 3.3Å; I82-K84 PolarHBondContact O-N 3.19Å; I82-Q85 WeakPolarHBondContact O-CB 3.3Å; I82-Q85 PolarHBondContact O-N 3.03Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 PolarHBondContact O-N 2.94Å; I82-L86 VanDerWaalsContact O-N 3.14Å; I82-L95 HydrophobicContact CG2-CD1 4.12Å |
| 83 | K | 91.4 | Very high | 91.9 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 20% | 0.2 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -49.8 | -48.5 | -178.2 | 174.9 | 165.9 | 178.5 | 168.7 | 0 | 112.4 | H21 S81 Q85 L86 D87 | H21-K83 PolarHBondContact CE1-NZ 2.71Å; H21-K83 PolarHBondContact NE2-NZ 2.95Å; S81-K83 PolarHBondContact O-N 2.72Å; K83-Q85 PolarHBondContact O-N 2.93Å; K83-Q85 VanDerWaalsContact O-N 3.14Å; K83-L86 PolarHBondContact O-N 3.36Å; K83-D87 VanDerWaalsContact CE-CG 3.47Å; K83-D87 VanDerWaalsContact CE-OD1 3.28Å; K83-D87 WeakPolarHBondContact CE-OD1 3.19Å; K83-D87 WeakPolarHBondContact CE-OD2 3.48Å; K83-D87 WeakPolarHBondContact CG-OD1 3.22Å; K83-D87 VanDerWaalsContact CG-OD2 3.28Å; K83-D87 WeakPolarHBondContact CG-OD2 3.1Å; K83-D87 IonicContact NZ-OD2 3.64Å; K83-D87 WeakPolarHBondContact O-CB 3.35Å; K83-D87 PolarHBondContact O-N 2.99Å |
| 84 | K | 91.7 | Very high | 92.1 | Very high | 124 Ų | 124 | 52.2 Ų | 52.2 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.4 | -12.8 | -177.8 | -56.9 | -173 | -164.4 | 68.8 | 0 | 114.4 | S39 S81 I82 | S39-K84 PolarHBondContact O-NZ 2.71Å; S81-K84 PolarHBondContact O-N 3.22Å; S81-K84 WeakPolarHBondContact OG-CD 3.24Å; S81-K84 VanDerWaalsContact OG-CG 3.31Å; S81-K84 WeakPolarHBondContact OG-CG 3.38Å; S81-K84 PolarHBondContact OG-NZ 2.76Å; I82-K84 VanDerWaalsContact C-N 3.3Å; I82-K84 PolarHBondContact O-N 3.19Å |
| 85 | Q | 92.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.028 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -88.1 | -52.1 | 174 | -58.5 | -171.9 | 95.7 | 0 | 0 | 109.2 | L76 F77 K80 I82 K83 D87 K88 Y89 | L76-Q85 HydrophobicContact CD1-CB 3.8Å; L76-Q85 HydrophobicContact CD1-CG 4.33Å; F77-Q85 PolarHBondContact O-NE2 2.84Å; K80-Q85 HydrophobicContact CB-CG 4.25Å; K80-Q85 PolarHBondContact O-NE2 2.73Å; I82-Q85 WeakPolarHBondContact O-CB 3.3Å; I82-Q85 PolarHBondContact O-N 3.03Å; K83-Q85 PolarHBondContact O-N 2.93Å; K83-Q85 VanDerWaalsContact O-N 3.14Å; Q85-D87 PolarHBondContact O-N 2.78Å; Q85-K88 PolarHBondContact O-N 2.77Å; Q85-Y89 VanDerWaalsContact O-CD2 3.31Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.23Å; Q85-Y89 PolarHBondContact O-N 2.74Å |
| 86 | L | 92.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 177.8 | -57 | -178.7 | 0 | 0 | 0 | 111.9 | I23 Y66 I82 K83 K88 Y89 A90 H93 L95 | I23-L86 HydrophobicContact CD1-CD1 3.58Å; I23-L86 HydrophobicContact CG1-CD1 4.24Å; I23-L86 HydrophobicContact CG2-CD1 4.43Å; Y66-L86 HydrophobicContact CD1-CD2 4.25Å; Y66-L86 HydrophobicContact CD2-CD2 4.42Å; Y66-L86 HydrophobicContact CG-CD2 3.93Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 PolarHBondContact O-N 2.94Å; I82-L86 VanDerWaalsContact O-N 3.14Å; K83-L86 PolarHBondContact O-N 3.36Å; L86-K88 PolarHBondContact O-N 3.44Å; L86-Y89 PolarHBondContact O-N 3.08Å; L86-A90 HydrophobicContact CB-CB 4.04Å; L86-A90 HydrophobicContact CD2-CB 3.53Å; L86-A90 HydrophobicContact CG-CB 4.38Å; L86-A90 PolarHBondContact O-N 3.47Å; L86-A90 VanDerWaalsContact O-N 3.12Å; L86-H93 WeakPolarHBondContact CB-ND1 3.21Å; L86-L95 HydrophobicContact CD1-CD2 4.43Å; L86-L95 HydrophobicContact CD2-CD2 3.95Å |
| 87 | D | 91.5 | Very high | 92.5 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 45% | 0.449 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52.7 | -21.3 | 175.6 | -74.3 | 3.4 | 0 | 0 | 0 | 114.4 | K83 Q85 H93 | K83-D87 VanDerWaalsContact CE-CG 3.47Å; K83-D87 VanDerWaalsContact CE-OD1 3.28Å; K83-D87 WeakPolarHBondContact CE-OD1 3.19Å; K83-D87 WeakPolarHBondContact CE-OD2 3.48Å; K83-D87 WeakPolarHBondContact CG-OD1 3.22Å; K83-D87 VanDerWaalsContact CG-OD2 3.28Å; K83-D87 WeakPolarHBondContact CG-OD2 3.1Å; K83-D87 IonicContact NZ-OD2 3.64Å; K83-D87 WeakPolarHBondContact O-CB 3.35Å; K83-D87 PolarHBondContact O-N 2.99Å; Q85-D87 PolarHBondContact O-N 2.78Å; D87-H93 IonicContact OD1-CE1 3.72Å; D87-H93 PolarHBondContact OD1-CE1 2.7Å |
| 88 | K | 90.6 | Very high | 92.5 | Very high | 92 Ų | 92 | 51.6 Ų | 51.6 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -107.1 | -43.9 | 179.7 | -179.3 | 171.3 | -178 | -66.7 | 0 | 113 | W69 Q85 L86 E291 | W69-K88 PolarHBondContact NE1-O 2.76Å; Q85-K88 PolarHBondContact O-N 2.77Å; L86-K88 PolarHBondContact O-N 3.44Å; K88-E291 IonicContact NZ-OE1 2.67Å; K88-E291 PolarHBondContact NZ-OE1 2.97Å; K88-E291 IonicContact NZ-OE2 2.68Å; K88-E291 PolarHBondContact NZ-OE2 2.83Å |
| 89 | Y | 90.5 | Very high | 92.5 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 25% | 0.247 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -112.2 | -24.5 | -163.8 | -59.1 | -78.8 | 0 | 0 | 0 | 114.6 | Y66 D68 W69 Q85 L86 E291 | Y66-Y89 WeakPolarHBondContact OH-CB 3.25Å; D68-Y89 WeakPolarHBondContact CA-O 3.49Å; D68-Y89 WeakPolarHBondContact CB-O 3.06Å; W69-Y89 PolarHBondContact N-O 3.43Å; Q85-Y89 VanDerWaalsContact O-CD2 3.31Å; Q85-Y89 WeakPolarHBondContact O-CD2 3.23Å; Q85-Y89 PolarHBondContact O-N 2.74Å; L86-Y89 PolarHBondContact O-N 3.08Å; Y89-E291 WeakPolarHBondContact CE1-OE2 3.38Å |
| 90 | A | 91.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -92.3 | 136.4 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y66 E67 W69 L86 Q92 | Y66-A90 HydrophobicContact CD2-CB 3.49Å; Y66-A90 VanDerWaalsContact CD2-CB 3.49Å; Y66-A90 HydrophobicContact CE2-CB 4.14Å; Y66-A90 HydrophobicContact CG-CB 4.13Å; E67-A90 CarbonylContact O-C 3.45Å; E67-A90 WeakPolarHBondContact O-CA 3.15Å; W69-A90 WeakPolarHBondContact CZ2-O 3.5Å; L86-A90 HydrophobicContact CB-CB 4.04Å; L86-A90 HydrophobicContact CD2-CB 3.53Å; L86-A90 HydrophobicContact CG-CB 4.38Å; L86-A90 PolarHBondContact O-N 3.47Å; L86-A90 VanDerWaalsContact O-N 3.12Å; A90-Q92 VanDerWaalsContact C-N 3.25Å; A90-Q92 WeakPolarHBondContact CB-O 3.31Å; A90-Q92 PolarHBondContact O-N 3.11Å |
| 91 | R | 90.6 | Very high | 92.5 | Very high | 151 Ų | 151 | 42.2 Ų | 42.2 | 57% | 0.57 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -66.5 | -31.3 | 172.1 | -171 | -171.7 | -174.4 | 178.9 | -0.1 | 111.6 | E67 W69 | E67-R91 VanDerWaalsContact CD-CD 3.43Å; E67-R91 HydrophobicContact CG-CB 4.49Å; E67-R91 PolarHBondContact O-N 3.32Å; E67-R91 WeakPolarHBondContact OE1-CD 3.35Å; E67-R91 IonicContact OE1-CZ 3.22Å; E67-R91 IonicContact OE1-NE 2.85Å; E67-R91 IonicContact OE1-NH1 2.7Å; E67-R91 PolarHBondContact OE1-NH1 3.01Å; W69-R91 HydrophobicContact CE3-CB 4.3Å; W69-R91 HydrophobicContact CE3-CG 4.38Å |
| 92 | Q | 89.6 | Confident | 92.5 | Very high | 110 Ų | 110 | 42.4 Ų | 42.4 | 51% | 0.514 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -135.7 | 148.7 | -177.3 | -52.5 | -170.1 | 53.3 | 0 | 0 | 110.7 | E67 A90 A94 | E67-Q92 PolarHBondContact OE2-NE2 3.36Å; A90-Q92 VanDerWaalsContact C-N 3.25Å; A90-Q92 WeakPolarHBondContact CB-O 3.31Å; A90-Q92 PolarHBondContact O-N 3.11Å; Q92-A94 PolarHBondContact O-N 3.2Å |
| 93 | H | 91.1 | Very high | 92.4 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 49% | 0.491 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -82.2 | 49.6 | 174.1 | -72.4 | -78.1 | 0 | 0 | 0 | 112.4 | L86 D87 | L86-H93 WeakPolarHBondContact CB-ND1 3.21Å; D87-H93 IonicContact OD1-CE1 3.72Å; D87-H93 PolarHBondContact OD1-CE1 2.7Å |
| 94 | A | 92.7 | Very high | 92.3 | Very high | 23 Ų | 23 | 44.2 Ų | 44.2 | 19% | 0.19 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 151.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R24 Y26 Q92 | R24-A94 CarbonylContact O-C 3.59Å; R24-A94 WeakPolarHBondContact O-CA 3.45Å; Y26-A94 HydrophobicContact CD2-CB 4.48Å; Y26-A94 HydrophobicContact CE2-CB 4.14Å; Q92-A94 PolarHBondContact O-N 3.2Å |
| 95 | L | 95.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 154.7 | 170.5 | -64.6 | 176 | 0 | 0 | 0 | 109.2 | I23 R24 I25 Y26 F64 T65 L76 I82 L86 | I23-L95 HydrophobicContact CG2-CD1 4.1Å; I23-L95 HydrophobicContact CG2-CG 4.02Å; R24-L95 PolarHBondContact O-N 2.99Å; I25-L95 CarbonylContact C-O 3.54Å; I25-L95 WeakPolarHBondContact CA-O 3.09Å; I25-L95 HydrophobicContact CD1-CD1 4.4Å; I25-L95 HydrophobicContact CG1-CB 4.26Å; I25-L95 HydrophobicContact CG1-CD1 4.27Å; I25-L95 HydrophobicContact CG2-CB 4.25Å; Y26-L95 PolarHBondContact N-O 2.87Å; F64-L95 HydrophobicContact CB-CB 4.41Å; F64-L95 HydrophobicContact CB-CD1 4.44Å; F64-L95 HydrophobicContact CB-CD2 4.26Å; F64-L95 HydrophobicContact CD1-CB 4.38Å; F64-L95 HydrophobicContact CD2-CD1 4.37Å; F64-L95 HydrophobicContact CG-CD1 4.23Å; T65-L95 CarbonylContact O-C 3.37Å; T65-L95 WeakPolarHBondContact O-CA 3.36Å; L76-L95 HydrophobicContact CD1-CD2 4.24Å; L76-L95 HydrophobicContact CD2-CD1 4.11Å; L76-L95 HydrophobicContact CD2-CD2 4.06Å; I82-L95 HydrophobicContact CG2-CD1 4.12Å; L86-L95 HydrophobicContact CD1-CD2 4.43Å; L86-L95 HydrophobicContact CD2-CD2 3.95Å |
| 96 | T | 94.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 14% | 0.135 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.3 | 167.1 | -56.1 | 0 | 0 | 0 | 0 | 109.1 | Y26 F64 T65 | Y26-T96 CarbonylContact O-C 3.53Å; Y26-T96 WeakPolarHBondContact O-CA 3.47Å; F64-T96 CarbonylContact C-O 3.5Å; F64-T96 VanDerWaalsContact CA-O 3.28Å; F64-T96 WeakPolarHBondContact CA-O 3.47Å; T65-T96 PolarHBondContact N-O 2.85Å; T65-T96 PolarHBondContact O-N 3.32Å; T65-T96 PolarHBondContact OG1-O 2.71Å |
| 97 | L | 95.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 133.4 | 170.3 | -176.4 | 71 | 0 | 0 | 0 | 108.4 | Y26 T27 L28 L47 V50 L54 F62 F64 | Y26-L97 PolarHBondContact O-N 2.79Å; T27-L97 HydrophobicContact CG2-CD2 4.48Å; L28-L97 VanDerWaalsContact CD2-O 3.24Å; L28-L97 WeakPolarHBondContact CD2-O 3.25Å; L28-L97 WeakPolarHBondContact CG-O 3Å; L47-L97 HydrophobicContact CD1-CD1 3.9Å; V50-L97 HydrophobicContact CG1-CD1 4.24Å; V50-L97 HydrophobicContact CG1-CD2 4.14Å; L54-L97 HydrophobicContact CD1-CD2 3.68Å; F62-L97 HydrophobicContact CB-CD1 4.25Å; F62-L97 HydrophobicContact CD1-CD1 4.26Å; F62-L97 HydrophobicContact CD1-CD2 4.46Å; F62-L97 HydrophobicContact CD1-CG 4.27Å; F64-L97 HydrophobicContact CD1-CB 4.43Å; F64-L97 HydrophobicContact CD1-CD1 4.25Å; F64-L97 HydrophobicContact CE1-CB 4.32Å; F64-L97 HydrophobicContact CE1-CD1 3.78Å; F64-L97 HydrophobicContact CZ-CD1 4.5Å |
| 98 | T | 94.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 11% | 0.11 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 147.7 | -175 | -179.4 | 0 | 0 | 0 | 0 | 110.6 | F62 G63 T65 M100 Q121 | F62-T98 WeakPolarHBondContact CA-O 3.43Å; G63-T98 PolarHBondContact N-O 3.42Å; G63-T98 WeakPolarHBondContact O-CG2 3.17Å; G63-T98 PolarHBondContact O-N 3.02Å; T65-T98 HydrophobicContact CG2-CG2 3.98Å; T98-M100 PolarHBondContact O-N 3.43Å; T98-Q121 VanDerWaalsContact CA-OE1 3.29Å; T98-Q121 PolarHBondContact OG1-OE1 2.91Å |
| 99 | V | 94.3 | Very high | 92 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 119.9 | 166.4 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | L28 F62 F102 F118 Q121 | L28-V99 HydrophobicContact CD1-CG2 4.21Å; F62-V99 HydrophobicContact CD1-CG2 4.4Å; F62-V99 HydrophobicContact CE1-CG2 4.04Å; V99-F102 HydrophobicContact CB-CZ 4.21Å; V99-F102 HydrophobicContact CG1-CE1 4.31Å; V99-F102 HydrophobicContact CG1-CE2 4.34Å; V99-F102 HydrophobicContact CG1-CZ 4.23Å; V99-F102 WeakPolarHBondContact O-CE2 3.47Å; V99-F118 HydrophobicContact CG1-CD1 3.95Å; V99-F118 HydrophobicContact CG1-CE1 3.48Å; V99-F118 VanDerWaalsContact CG1-CE1 3.48Å; V99-F118 HydrophobicContact CG1-CZ 4Å; V99-Q121 HydrophobicContact CB-CB 4.3Å; V99-Q121 HydrophobicContact CB-CG 4.1Å; V99-Q121 HydrophobicContact CG2-CB 4.07Å; V99-Q121 HydrophobicContact CG2-CG 4.41Å; V99-Q121 VanDerWaalsContact N-OE1 3.13Å |
| 100 | M | 92.4 | Very high | 91.8 | Very high | 13 Ų | 13 | 40.7 Ų | 40.7 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | trans | -99.7 | -36.4 | -176.6 | -178.3 | 174.1 | 63 | 0 | 0 | 111.8 | F61 T98 Q302 M303 S306 | F61-M100 PolarHBondContact O-N 3.36Å; T98-M100 PolarHBondContact O-N 3.43Å; M100-Q302 HydrophobicContact CE-CG 4.05Å; M100-Q302 HydrophobicContact SD-CG 3.97Å; M100-Q302 PolarHBondContact SD-NE2 3.35Å; M100-M303 HydrophobicContact CG-SD 3.65Å; M100-M303 WeakPolarHBondContact O-CE 3.28Å; M100-M303 VanDerWaalsContact O-SD 3.41Å; M100-S306 VanDerWaalsContact CE-OG 3.22Å; M100-S306 WeakPolarHBondContact CE-OG 3.13Å | ||
| 101 | L | 92.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -110.6 | 110.6 | 179.1 | -175.3 | 72.7 | 0 | 0 | 0 | 110.4 | F61 R239 M303 Y310 | F61-L101 HydrophobicContact CD1-CD2 4.46Å; F61-L101 PolarHBondContact O-N 3.26Å; F61-L101 VanDerWaalsContact O-N 3.13Å; L101-R239 HydrophobicContact CD1-CB 3.82Å; L101-R239 HydrophobicContact CD1-CG 3.96Å; L101-M303 HydrophobicContact CD1-CE 4.18Å; L101-Y310 HydrophobicContact CD2-CD2 4.44Å; L101-Y310 HydrophobicContact CD2-CG 4.11Å |
| 102 | F | 93 | Very high | 91.7 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.096 | 21% | 0.208 | C | C | . | . | trans | -90.2 | 139.1 | 176.2 | -68.7 | -96.5 | 0 | 0 | 0 | 111.6 | V99 F118 Q121 L122 Y218 R239 | V99-F102 HydrophobicContact CB-CZ 4.21Å; V99-F102 HydrophobicContact CG1-CE1 4.31Å; V99-F102 HydrophobicContact CG1-CE2 4.34Å; V99-F102 HydrophobicContact CG1-CZ 4.23Å; V99-F102 WeakPolarHBondContact O-CE2 3.47Å; F102-F118 HydrophobicContact CD1-CD1 4.14Å; F102-F118 HydrophobicContact CD1-CE1 4.1Å; F102-F118 HydrophobicContact CE1-CD1 4.41Å; F102-Q121 HydrophobicContact CE1-CG 4.33Å; F102-Q121 HydrophobicContact CZ-CG 3.82Å; F102-L122 HydrophobicContact CD1-CD2 4.22Å; F102-L122 HydrophobicContact CE1-CD1 4.5Å; F102-L122 HydrophobicContact CE1-CD2 3.71Å; F102-L122 HydrophobicContact CE1-CG 3.98Å; F102-Y218 HydrophobicContact CB-CE1 4.25Å; F102-Y218 HydrophobicContact CD1-CE2 4.14Å; F102-R239 WeakPolarHBondContact O-CB 3.42Å; F102-R239 WeakPolarHBondContact O-CD 3.46Å | ||
| 103 | I | 91.6 | Very high | 91.7 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | trans | -105.7 | 155.9 | 176.9 | 66.2 | 172.1 | 0 | 0 | 0 | 111.5 | F61 N105 P106 V109 F118 Y218 Y310 | F61-I103 HydrophobicContact CD1-CG2 4.49Å; F61-I103 HydrophobicContact CE1-CG2 3.67Å; F61-I103 HydrophobicContact CZ-CG2 4.47Å; I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.07Å; I103-P106 HydrophobicContact CG1-CB 4.45Å; I103-V109 HydrophobicContact CD1-CG2 3.61Å; I103-F118 HydrophobicContact CG1-CZ 4.34Å; I103-Y218 VanDerWaalsContact O-CE1 3.25Å; I103-Y218 WeakPolarHBondContact O-CE1 3.44Å; I103-Y218 PolarHBondContact O-OH 3.46Å; I103-Y310 HydrophobicContact CG2-CE2 3.93Å | ||
| 104 | D | 88.5 | Confident | 91.7 | Very high | 67 Ų | 67 | 30.7 Ų | 30.7 | 36% | 0.358 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -69 | -27 | -173.5 | -36 | -63.3 | 0 | 0 | 0 | 113.4 | P106 R213 R239 N240 | D104-P106 WeakPolarHBondContact O-CD 3.49Å; D104-R213 PolarHBondContact O-NE 2.87Å; D104-R213 PolarHBondContact O-NH2 2.86Å; D104-R239 IonicContact OD1-NH1 3.44Å; D104-R239 PolarHBondContact OD1-NH1 3.3Å; D104-R239 IonicContact OD2-CZ 2.66Å; D104-R239 IonicContact OD2-NH1 3.48Å; D104-R239 PolarHBondContact OD2-NH1 2.74Å; D104-R239 IonicContact OD2-NH2 3.83Å; D104-N240 PolarHBondContact OD1-ND2 3.24Å; D104-N240 PolarHBondContact OD1-OD1 3.5Å |
| 105 | N | 90.1 | Very high | 91.7 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 38% | 0.38 | 17% | 0.17 | S | C | . | . | trans | -122.6 | 68.2 | -179.2 | -57.9 | -13.9 | 0 | 0 | 0 | 110.7 | I103 Q107 F108 R213 | I103-N105 VanDerWaalsContact C-N 3.3Å; I103-N105 PolarHBondContact O-N 3.07Å; N105-Q107 VanDerWaalsContact CA-OE1 3.22Å; N105-Q107 PolarHBondContact O-N 3.17Å; N105-F108 HydrophobicContact CB-CD2 3.83Å; N105-F108 PolarHBondContact O-N 2.87Å; N105-R213 PolarHBondContact OD1-NH2 3.41Å | ||
| 106 | P | 92.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -63.7 | -23.1 | -176.6 | 28.8 | -36.5 | 0 | 0 | 0 | 113.6 | I103 D104 V109 F118 L209 R213 Y218 | I103-P106 HydrophobicContact CG1-CB 4.45Å; D104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-V109 WeakPolarHBondContact O-CG2 3.2Å; P106-F118 HydrophobicContact CB-CD1 4.39Å; P106-F118 HydrophobicContact CB-CG 4.31Å; P106-L209 HydrophobicContact CB-CD1 4.38Å; P106-L209 HydrophobicContact CB-CD2 4.13Å; P106-L209 HydrophobicContact CG-CB 4.14Å; P106-L209 HydrophobicContact CG-CD2 4.18Å; P106-R213 HydrophobicContact CG-CB 4.5Å; P106-Y218 HydrophobicContact CG-CE2 4.46Å; P106-Y218 WeakPolarHBondContact CG-OH 3.12Å |
| 107 | Q | 92 | Very high | 91.6 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.009 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -74.8 | -21.2 | -179 | 77.7 | -77.8 | 26.6 | 0 | 0 | 113.9 | N105 R115 W206 L209 D210 R213 | N105-Q107 VanDerWaalsContact CA-OE1 3.22Å; N105-Q107 PolarHBondContact O-N 3.17Å; Q107-R115 PolarHBondContact O-NE 3.16Å; Q107-W206 HydrophobicContact CB-CD2 4.08Å; Q107-W206 HydrophobicContact CB-CG 3.9Å; Q107-W206 HydrophobicContact CG-CD2 4.02Å; Q107-W206 VanDerWaalsContact CG-CE2 3.45Å; Q107-W206 HydrophobicContact CG-CG 4.32Å; Q107-W206 HydrophobicContact CG-CH2 4.44Å; Q107-W206 HydrophobicContact CG-CZ2 3.71Å; Q107-L209 HydrophobicContact CB-CB 4.06Å; Q107-D210 HydrophobicContact CG-CB 4.48Å; Q107-D210 PolarHBondContact NE2-OD1 3.39Å; Q107-R213 VanDerWaalsContact NE2-NH1 3.19Å |
| 108 | F | 90.5 | Very high | 91.6 | Very high | 106 Ų | 106 | 36 Ų | 36 | 47% | 0.465 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -95.1 | 13.6 | 177.2 | -60.2 | -47.8 | 0 | 0 | 0 | 114.1 | N105 W206 | N105-F108 HydrophobicContact CB-CD2 3.83Å; N105-F108 PolarHBondContact O-N 2.87Å; F108-W206 AromaticContact CE1-CZ2 3.85Å; F108-W206 HydrophobicContact CE1-CZ2 3.85Å; F108-W206 AromaticContact CE1-NE1 3.9Å; F108-W206 HydrophobicContact CZ-CZ2 4.08Å |
| 109 | V | 89.6 | Confident | 91.7 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | trans | -62.4 | 126.6 | 169.7 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | I103 P106 D111 I114 R115 F118 | I103-V109 HydrophobicContact CD1-CG2 3.61Å; P106-V109 WeakPolarHBondContact O-CG2 3.2Å; V109-D111 HydrophobicContact CG1-CB 4.39Å; V109-D111 WeakPolarHBondContact CG1-O 3.38Å; V109-I114 HydrophobicContact CG1-CB 3.97Å; V109-I114 HydrophobicContact CG1-CG2 3.79Å; V109-R115 HydrophobicContact CB-CB 4.49Å; V109-R115 PolarHBondContact O-NE 3.33Å; V109-R115 PolarHBondContact O-NH2 2.8Å; V109-F118 HydrophobicContact CG2-CD2 4.4Å; V109-F118 HydrophobicContact CG2-CE2 4.2Å | ||
| 110 | P | 86.4 | Confident | 91.7 | Very high | 109 Ų | 109 | 35.3 Ų | 35.3 | 71% | 0.708 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -71.2 | -30.3 | -175.5 | 27.7 | -35 | 0 | 0 | 0 | 112.8 | P112 | P110-P112 WeakPolarHBondContact O-CD 3.38Š|
| 111 | D | 88.8 | Confident | 91.8 | Very high | 49 Ų | 49 | 35.2 Ų | 35.2 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | trans | -78.5 | 115.5 | 170.1 | 173.1 | 22.2 | 0 | 0 | 0 | 110.9 | V109 Q113 I114 R115 | V109-D111 HydrophobicContact CG1-CB 4.39Å; V109-D111 WeakPolarHBondContact CG1-O 3.38Å; D111-Q113 PolarHBondContact O-N 2.95Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.42Å; D111-Q113 PolarHBondContact OD1-N 3.28Å; D111-I114 HydrophobicContact CB-CB 4.31Å; D111-I114 HydrophobicContact CB-CD1 4.13Å; D111-I114 HydrophobicContact CB-CG1 4.5Å; D111-I114 WeakPolarHBondContact OD2-CB 3.28Å; D111-I114 WeakPolarHBondContact OD2-CD1 3.08Å; D111-I114 WeakPolarHBondContact OD2-CG1 2.97Å; D111-I114 PolarHBondContact OD2-N 2.85Å; D111-R115 PolarHBondContact O-N 3.42Å; D111-R115 VanDerWaalsContact O-N 3.12Å | ||
| 112 | P | 89.3 | Confident | 91.9 | Very high | 63 Ų | 63 | 35.3 Ų | 35.3 | 41% | 0.409 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.8 | -25.4 | 176 | 29.2 | -35.6 | 0 | 0 | 0 | 112.6 | P110 R115 R116 | P110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-R115 WeakPolarHBondContact O-CB 2.87Å; P112-R115 PolarHBondContact O-N 2.84Å; P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 3.06Å |
| 113 | Q | 90 | Very high | 91.9 | Very high | 47 Ų | 47 | 36.8 Ų | 36.8 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.5 | -44.9 | -180 | -162.9 | -177 | -35 | 0 | 0 | 111.5 | L54 D111 R115 R116 W117 | L54-Q113 PolarHBondContact O-NE2 2.7Å; D111-Q113 PolarHBondContact O-N 2.95Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.42Å; D111-Q113 PolarHBondContact OD1-N 3.28Å; Q113-R115 VanDerWaalsContact C-N 3.31Å; Q113-R115 PolarHBondContact O-N 3.1Å; Q113-R116 PolarHBondContact O-N 3.32Å; Q113-W117 PolarHBondContact O-N 2.87Å |
| 114 | I | 91.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60 | -40.5 | 168.1 | -71.3 | 159.6 | 0 | 0 | 0 | 111.3 | D58 F61 F62 V109 D111 R116 W117 F118 | D58-I114 HydrophobicContact CB-CD1 3.7Å; F61-I114 HydrophobicContact CD2-CG2 4.12Å; F61-I114 HydrophobicContact CE2-CG2 4.21Å; F62-I114 HydrophobicContact CE2-CG1 4.3Å; F62-I114 HydrophobicContact CZ-CG1 4.4Å; V109-I114 HydrophobicContact CG1-CB 3.97Å; V109-I114 HydrophobicContact CG1-CG2 3.79Å; D111-I114 HydrophobicContact CB-CB 4.31Å; D111-I114 HydrophobicContact CB-CD1 4.13Å; D111-I114 HydrophobicContact CB-CG1 4.5Å; D111-I114 WeakPolarHBondContact OD2-CB 3.28Å; D111-I114 WeakPolarHBondContact OD2-CD1 3.08Å; D111-I114 WeakPolarHBondContact OD2-CG1 2.97Å; D111-I114 PolarHBondContact OD2-N 2.85Å; I114-R116 VanDerWaalsContact C-N 3.33Å; I114-R116 PolarHBondContact O-N 3.1Å; I114-W117 WeakPolarHBondContact O-CB 3.29Å; I114-W117 PolarHBondContact O-N 3.34Å; I114-W117 VanDerWaalsContact O-N 3.11Å; I114-F118 HydrophobicContact CG2-CD2 3.8Å; I114-F118 HydrophobicContact CG2-CE2 3.59Å; I114-F118 VanDerWaalsContact O-CD2 3.31Å; I114-F118 WeakPolarHBondContact O-CD2 3.09Å; I114-F118 PolarHBondContact O-N 3.29Å |
| 115 | R | 93.5 | Very high | 91.9 | Very high | 44 Ų | 44 | 37.1 Ų | 37.1 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.5 | -44 | 174.3 | -162.8 | -171.3 | -55.9 | 165.4 | 3.2 | 111.9 | Q107 V109 D111 P112 Q113 F118 Y119 I205 L209 | Q107-R115 PolarHBondContact O-NE 3.16Å; V109-R115 HydrophobicContact CB-CB 4.49Å; V109-R115 PolarHBondContact O-NE 3.33Å; V109-R115 PolarHBondContact O-NH2 2.8Å; D111-R115 PolarHBondContact O-N 3.42Å; D111-R115 VanDerWaalsContact O-N 3.12Å; P112-R115 WeakPolarHBondContact O-CB 2.87Å; P112-R115 PolarHBondContact O-N 2.84Å; Q113-R115 VanDerWaalsContact C-N 3.31Å; Q113-R115 PolarHBondContact O-N 3.1Å; R115-F118 WeakPolarHBondContact O-CB 3.15Å; R115-F118 PolarHBondContact O-N 3.34Å; R115-Y119 PolarHBondContact O-N 2.83Å; R115-Y119 VanDerWaalsContact O-N 3.13Å; R115-I205 HydrophobicContact CG-CG2 3.98Å; R115-L209 HydrophobicContact CG-CD1 3.47Å; R115-L209 VanDerWaalsContact CG-CD1 3.47Å |
| 116 | R | 93.7 | Very high | 91.9 | Very high | 107 Ų | 107 | 34.6 Ų | 34.6 | 40% | 0.404 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.7 | -38.8 | 173.5 | -172.6 | 176.9 | -178.2 | -97.1 | 4.5 | 112.4 | D29 P112 Q113 I114 Y119 L120 I205 | D29-R116 IonicContact OD2-NH1 3.83Å; P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 3.06Å; Q113-R116 PolarHBondContact O-N 3.32Å; I114-R116 VanDerWaalsContact C-N 3.33Å; I114-R116 PolarHBondContact O-N 3.1Å; R116-Y119 PolarHBondContact O-N 3.37Å; R116-L120 HydrophobicContact CG-CD1 4.26Å; R116-L120 WeakPolarHBondContact O-CG 3.27Å; R116-L120 PolarHBondContact O-N 2.97Å; R116-I205 HydrophobicContact CB-CD1 4.35Å; R116-I205 HydrophobicContact CG-CD1 4.2Å |
| 117 | W | 94 | Very high | 91.5 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -38.4 | 174.1 | -68.2 | 129.8 | 0 | 0 | 0 | 112.8 | L28 D29 L54 F62 Q113 I114 L120 Q121 | L28-W117 HydrophobicContact CB-CE3 3.86Å; L28-W117 HydrophobicContact CB-CZ3 3.98Å; L28-W117 HydrophobicContact CD1-CB 4.46Å; L28-W117 HydrophobicContact CD1-CE3 4.1Å; L28-W117 HydrophobicContact CG-CE3 4.43Å; D29-W117 HydrophobicContact CB-CZ3 4.4Å; D29-W117 WeakPolarHBondContact OD1-CH2 3.01Å; D29-W117 WeakPolarHBondContact OD1-CZ3 3.34Å; L54-W117 HydrophobicContact CB-CZ2 4.5Å; L54-W117 HydrophobicContact CD1-CH2 4.37Å; L54-W117 HydrophobicContact CD1-CZ2 3.94Å; L54-W117 HydrophobicContact CD2-CZ2 4.23Å; L54-W117 HydrophobicContact CG-CZ2 4.45Å; F62-W117 HydrophobicContact CE1-CB 3.92Å; F62-W117 HydrophobicContact CE1-CG 4.04Å; F62-W117 HydrophobicContact CZ-CB 3.95Å; F62-W117 AromaticContact CZ-CD1 3.75Å; F62-W117 HydrophobicContact CZ-CG 4Å; Q113-W117 PolarHBondContact O-N 2.87Å; I114-W117 WeakPolarHBondContact O-CB 3.29Å; I114-W117 PolarHBondContact O-N 3.34Å; I114-W117 VanDerWaalsContact O-N 3.11Å; W117-L120 HydrophobicContact CE3-CD1 3.91Å; W117-L120 HydrophobicContact CZ3-CD1 4.04Å; W117-Q121 PolarHBondContact O-N 3.45Å |
| 118 | F | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 171.6 | -85.9 | -74.4 | 0 | 0 | 0 | 111.7 | F61 V99 F102 I103 P106 V109 I114 R115 L120 Q121 L122 L209 | F61-F118 HydrophobicContact CD1-CZ 4.07Å; F61-F118 HydrophobicContact CE1-CZ 4.36Å; F61-F118 HydrophobicContact CG-CZ 4.39Å; V99-F118 HydrophobicContact CG1-CD1 3.95Å; V99-F118 HydrophobicContact CG1-CE1 3.48Å; V99-F118 VanDerWaalsContact CG1-CE1 3.48Å; V99-F118 HydrophobicContact CG1-CZ 4Å; F102-F118 HydrophobicContact CD1-CD1 4.14Å; F102-F118 HydrophobicContact CD1-CE1 4.1Å; F102-F118 HydrophobicContact CE1-CD1 4.41Å; I103-F118 HydrophobicContact CG1-CZ 4.34Å; P106-F118 HydrophobicContact CB-CD1 4.39Å; P106-F118 HydrophobicContact CB-CG 4.31Å; V109-F118 HydrophobicContact CG2-CD2 4.4Å; V109-F118 HydrophobicContact CG2-CE2 4.2Å; I114-F118 HydrophobicContact CG2-CD2 3.8Å; I114-F118 HydrophobicContact CG2-CE2 3.59Å; I114-F118 VanDerWaalsContact O-CD2 3.31Å; I114-F118 WeakPolarHBondContact O-CD2 3.09Å; I114-F118 PolarHBondContact O-N 3.29Å; R115-F118 WeakPolarHBondContact O-CB 3.15Å; R115-F118 PolarHBondContact O-N 3.34Å; F118-L120 PolarHBondContact O-N 3.14Å; F118-Q121 PolarHBondContact O-N 3.16Å; F118-L122 HydrophobicContact CB-CD1 4.5Å; F118-L122 WeakPolarHBondContact O-CB 3.23Å; F118-L122 WeakPolarHBondContact O-CD1 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.33Å; F118-L122 PolarHBondContact O-N 3.48Å; F118-L209 HydrophobicContact CB-CD2 4.06Å |
| 119 | Y | 95.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.9 | -50.9 | 177.8 | 156 | -118.8 | 0 | 0 | 0 | 112.4 | R115 R116 Q121 L122 R123 S145 A148 I205 F208 | R115-Y119 PolarHBondContact O-N 2.83Å; R115-Y119 VanDerWaalsContact O-N 3.13Å; R116-Y119 PolarHBondContact O-N 3.37Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.77Å; Y119-L122 PolarHBondContact O-N 3.43Å; Y119-L122 VanDerWaalsContact O-N 3.17Å; Y119-R123 HydrophobicContact CE2-CB 4.34Å; Y119-R123 WeakPolarHBondContact O-CB 3.41Å; Y119-R123 PolarHBondContact O-N 2.79Å; Y119-R123 PolarHBondContact OH-NH1 3.07Å; Y119-S145 WeakPolarHBondContact OH-CA 2.99Å; Y119-S145 PolarHBondContact OH-O 3.24Å; Y119-S145 PolarHBondContact OH-OG 3.02Å; Y119-A148 HydrophobicContact CE1-CB 4.04Å; Y119-A148 HydrophobicContact CE2-CB 4.32Å; Y119-A148 WeakPolarHBondContact OH-CB 3.41Å; Y119-I205 HydrophobicContact CD1-CD1 4Å; Y119-I205 HydrophobicContact CD1-CG1 3.76Å; Y119-I205 HydrophobicContact CE1-CD1 4.39Å; Y119-I205 HydrophobicContact CE1-CG1 4.1Å; Y119-I205 HydrophobicContact CG-CG1 4.06Å; Y119-F208 HydrophobicContact CD2-CB 4.39Å; Y119-F208 AromaticContact CD2-CD1 3.61Å; Y119-F208 HydrophobicContact CD2-CD1 3.61Å; Y119-F208 HydrophobicContact CD2-CD2 4.13Å; Y119-F208 AromaticContact CD2-CE1 3.84Å; Y119-F208 HydrophobicContact CD2-CE1 3.84Å; Y119-F208 HydrophobicContact CD2-CE2 4.33Å; Y119-F208 AromaticContact CD2-CG 3.79Å; Y119-F208 HydrophobicContact CD2-CG 3.79Å; Y119-F208 HydrophobicContact CD2-CZ 4.21Å; Y119-F208 HydrophobicContact CE2-CD1 4.22Å; Y119-F208 AromaticContact CE2-CD2 3.9Å; Y119-F208 HydrophobicContact CE2-CD2 3.9Å; Y119-F208 HydrophobicContact CE2-CE1 4.36Å; Y119-F208 HydrophobicContact CE2-CE2 4.04Å; Y119-F208 HydrophobicContact CE2-CG 4.01Å; Y119-F208 HydrophobicContact CE2-CZ 4.29Å |
| 120 | L | 95 | Very high | 90.4 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | -179.1 | -69.2 | 169.6 | 0 | 0 | 0 | 112.5 | L28 D29 R116 W117 F118 R124 | L28-L120 HydrophobicContact CB-CB 3.89Å; L28-L120 HydrophobicContact CB-CD1 4.4Å; D29-L120 HydrophobicContact CB-CD1 3.99Å; R116-L120 HydrophobicContact CG-CD1 4.26Å; R116-L120 WeakPolarHBondContact O-CG 3.27Å; R116-L120 PolarHBondContact O-N 2.97Å; W117-L120 HydrophobicContact CE3-CD1 3.91Å; W117-L120 HydrophobicContact CZ3-CD1 4.04Å; F118-L120 PolarHBondContact O-N 3.14Å; L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 3.48Å; L120-R124 VanDerWaalsContact O-N 3.12Å |
| 121 | Q | 94.4 | Very high | 90.5 | Very high | 11 Ų | 11 | 35 Ų | 35 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -44 | 175 | -179.4 | 68.2 | 80.2 | 0 | 0 | 112 | L28 T98 V99 F102 W117 F118 Y119 R124 N125 | L28-Q121 HydrophobicContact CD1-CB 4.03Å; L28-Q121 HydrophobicContact CD2-CB 4.28Å; T98-Q121 VanDerWaalsContact CA-OE1 3.29Å; T98-Q121 PolarHBondContact OG1-OE1 2.91Å; V99-Q121 HydrophobicContact CB-CB 4.3Å; V99-Q121 HydrophobicContact CB-CG 4.1Å; V99-Q121 HydrophobicContact CG2-CB 4.07Å; V99-Q121 HydrophobicContact CG2-CG 4.41Å; V99-Q121 VanDerWaalsContact N-OE1 3.13Å; F102-Q121 HydrophobicContact CE1-CG 4.33Å; F102-Q121 HydrophobicContact CZ-CG 3.82Å; W117-Q121 PolarHBondContact O-N 3.45Å; F118-Q121 PolarHBondContact O-N 3.16Å; Y119-Q121 VanDerWaalsContact C-N 3.34Å; Y119-Q121 PolarHBondContact O-N 2.77Å; Q121-R124 PolarHBondContact O-N 2.9Å; Q121-N125 PolarHBondContact NE2-OD1 3.48Å; Q121-N125 PolarHBondContact O-N 2.69Å; Q121-N125 PolarHBondContact O-OD1 3.24Å |
| 122 | L | 94.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.9 | -43.2 | -175.2 | -73.5 | 160.8 | 0 | 0 | 0 | 111.7 | F102 F118 Y119 R124 N125 V126 F208 L209 I212 Y218 | F102-L122 HydrophobicContact CD1-CD2 4.22Å; F102-L122 HydrophobicContact CE1-CD1 4.5Å; F102-L122 HydrophobicContact CE1-CD2 3.71Å; F102-L122 HydrophobicContact CE1-CG 3.98Å; F118-L122 HydrophobicContact CB-CD1 4.5Å; F118-L122 WeakPolarHBondContact O-CB 3.23Å; F118-L122 WeakPolarHBondContact O-CD1 3.27Å; F118-L122 WeakPolarHBondContact O-CG 3.33Å; F118-L122 PolarHBondContact O-N 3.48Å; Y119-L122 PolarHBondContact O-N 3.43Å; Y119-L122 VanDerWaalsContact O-N 3.17Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.39Å; L122-N125 PolarHBondContact O-N 2.76Å; L122-N125 VanDerWaalsContact O-N 3.11Å; L122-V126 PolarHBondContact O-N 3.02Å; L122-F208 HydrophobicContact CB-CE1 4.07Å; L122-L209 HydrophobicContact CD1-CD2 3.47Å; L122-L209 VanDerWaalsContact CD1-CD2 3.47Å; L122-I212 HydrophobicContact CB-CD1 3.98Å; L122-I212 HydrophobicContact CD1-CG2 3.99Å; L122-Y218 HydrophobicContact CD1-CE2 3.83Å; L122-Y218 HydrophobicContact CD2-CD2 3.8Å; L122-Y218 HydrophobicContact CD2-CE2 3.72Å; L122-Y218 HydrophobicContact CG-CE2 4.44Å |
| 123 | R | 93 | Very high | 90.4 | Very high | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -44.3 | 170.6 | -171.2 | -174.9 | 73.9 | -162.5 | 18 | 111.7 | Y119 N125 V126 A127 S145 E149 F208 | Y119-R123 HydrophobicContact CE2-CB 4.34Å; Y119-R123 WeakPolarHBondContact O-CB 3.41Å; Y119-R123 PolarHBondContact O-N 2.79Å; Y119-R123 PolarHBondContact OH-NH1 3.07Å; R123-N125 VanDerWaalsContact C-N 3.31Å; R123-N125 PolarHBondContact O-N 3.1Å; R123-V126 PolarHBondContact O-N 2.93Å; R123-A127 WeakPolarHBondContact O-CB 3.43Å; R123-A127 PolarHBondContact O-N 2.89Å; R123-S145 WeakPolarHBondContact CD-OG 3.31Å; R123-E149 IonicContact CZ-OE1 2.64Å; R123-E149 IonicContact NH1-OE1 2.86Å; R123-E149 PolarHBondContact NH1-OE1 2.84Å; R123-E149 IonicContact NH1-OE2 3.72Å; R123-E149 IonicContact NH2-OE1 3.28Å; R123-E149 PolarHBondContact NH2-OE1 2.76Å; R123-E149 IonicContact NH2-OE2 3.59Å; R123-F208 HydrophobicContact CB-CE1 4.45Å; R123-F208 HydrophobicContact CB-CE2 4.39Å; R123-F208 HydrophobicContact CB-CZ 3.78Å; R123-F208 HydrophobicContact CG-CE2 4.48Å; R123-F208 HydrophobicContact CG-CZ 4.29Å |
| 124 | R | 90.6 | Very high | 90.4 | Very high | 60 Ų | 60 | 35.3 Ų | 35.3 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.8 | -36.8 | 175.7 | -171.6 | -179.7 | 176.4 | 139.5 | 3.1 | 112.2 | L120 Q121 L122 A127 M128 | L120-R124 VanDerWaalsContact O-CB 3.29Å; L120-R124 WeakPolarHBondContact O-CB 3.35Å; L120-R124 PolarHBondContact O-N 3.48Å; L120-R124 VanDerWaalsContact O-N 3.12Å; Q121-R124 PolarHBondContact O-N 2.9Å; L122-R124 VanDerWaalsContact C-N 3.31Å; L122-R124 PolarHBondContact O-N 3.39Å; R124-A127 PolarHBondContact O-N 2.88Å; R124-M128 HydrophobicContact CG-CE 3.85Å; R124-M128 HydrophobicContact CG-CG 4.3Å; R124-M128 HydrophobicContact CG-SD 3.82Å; R124-M128 WeakPolarHBondContact O-CB 3.46Å; R124-M128 VanDerWaalsContact O-CG 3.26Å; R124-M128 WeakPolarHBondContact O-CG 3.2Å; R124-M128 PolarHBondContact O-N 3.09Å |
| 125 | N | 89.6 | Confident | 90.2 | Very high | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.16 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68 | -38.6 | 177.6 | -69.8 | -1.9 | 0 | 0 | 0 | 112.5 | Q121 L122 R123 G129 L130 L131 | Q121-N125 PolarHBondContact NE2-OD1 3.48Å; Q121-N125 PolarHBondContact O-N 2.69Å; Q121-N125 PolarHBondContact O-OD1 3.24Å; L122-N125 PolarHBondContact O-N 2.76Å; L122-N125 VanDerWaalsContact O-N 3.11Å; R123-N125 VanDerWaalsContact C-N 3.31Å; R123-N125 PolarHBondContact O-N 3.1Å; N125-G129 PolarHBondContact O-N 2.97Å; N125-L130 HydrophobicContact CB-CB 4.4Å; N125-L130 PolarHBondContact O-N 2.98Å; N125-L131 HydrophobicContact CB-CB 4.23Å; N125-L131 PolarHBondContact O-N 3.41Å; N125-L131 VanDerWaalsContact O-N 3.15Å |
| 126 | V | 90.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -47.4 | 171.3 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | L122 R123 M128 G129 L131 V133 I212 | L122-V126 PolarHBondContact O-N 3.02Å; R123-V126 PolarHBondContact O-N 2.93Å; V126-M128 VanDerWaalsContact C-N 3.28Å; V126-M128 PolarHBondContact O-N 3.32Å; V126-G129 PolarHBondContact O-N 3.4Å; V126-L131 HydrophobicContact CG2-CB 4.28Å; V126-L131 HydrophobicContact CG2-CD2 4.03Å; V126-V133 HydrophobicContact CG1-CG2 3.86Å; V126-V133 HydrophobicContact CG2-CG1 4.09Å; V126-I212 HydrophobicContact CG2-CD1 3.66Å |
| 127 | A | 84.7 | Confident | 90.1 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 25% | 0.248 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.2 | -25.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | R123 R124 L174 | R123-A127 WeakPolarHBondContact O-CB 3.43Å; R123-A127 PolarHBondContact O-N 2.89Å; R124-A127 PolarHBondContact O-N 2.88Å; A127-L174 HydrophobicContact CB-CG 4.4Å; A127-L174 WeakPolarHBondContact O-CD1 3.22Å; A127-L174 WeakPolarHBondContact O-CG 3.35Å |
| 128 | M | 83.1 | Confident | 90 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 23% | 0.227 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.3 | 173.7 | -62.3 | -178.6 | -41.4 | 0 | 0 | 112.9 | R124 V126 L130 S173 | R124-M128 HydrophobicContact CG-CE 3.85Å; R124-M128 HydrophobicContact CG-CG 4.3Å; R124-M128 HydrophobicContact CG-SD 3.82Å; R124-M128 WeakPolarHBondContact O-CB 3.46Å; R124-M128 VanDerWaalsContact O-CG 3.26Å; R124-M128 WeakPolarHBondContact O-CG 3.2Å; R124-M128 PolarHBondContact O-N 3.09Å; V126-M128 VanDerWaalsContact C-N 3.28Å; V126-M128 PolarHBondContact O-N 3.32Å; M128-L130 HydrophobicContact CB-CG 4.17Å; M128-L130 HydrophobicContact CE-CD1 3.62Å; M128-L130 HydrophobicContact CE-CG 4.29Å; M128-L130 PolarHBondContact O-N 3.16Å; M128-L130 VanDerWaalsContact O-N 3.09Å; M128-S173 PolarHBondContact O-OG 3.07Å |
| 129 | G | 81.3 | Confident | 89.8 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 7.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | N125 V126 L131 S173 | N125-G129 PolarHBondContact O-N 2.97Å; V126-G129 PolarHBondContact O-N 3.4Å; G129-L131 VanDerWaalsContact C-N 3.3Å; G129-L131 PolarHBondContact O-N 2.98Å; G129-S173 PolarHBondContact N-O 3.09Å |
| 130 | L | 84.1 | Confident | 89.8 | Confident | 115 Ų | 115 | 42.1 Ų | 42.1 | 60% | 0.602 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -73.2 | -23 | 179.5 | -62.7 | -172.9 | 0 | 0 | 0 | 113 | N125 M128 | N125-L130 HydrophobicContact CB-CB 4.4Å; N125-L130 PolarHBondContact O-N 2.98Å; M128-L130 HydrophobicContact CB-CG 4.17Å; M128-L130 HydrophobicContact CE-CD1 3.62Å; M128-L130 HydrophobicContact CE-CG 4.29Å; M128-L130 PolarHBondContact O-N 3.16Å; M128-L130 VanDerWaalsContact O-N 3.09Å |
| 131 | L | 88.5 | Confident | 89.8 | Confident | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -117.1 | 100 | 170.5 | -171.3 | 73.4 | 0 | 0 | 0 | 108.3 | N125 V126 G129 V133 I212 N215 L217 | N125-L131 HydrophobicContact CB-CB 4.23Å; N125-L131 PolarHBondContact O-N 3.41Å; N125-L131 VanDerWaalsContact O-N 3.15Å; V126-L131 HydrophobicContact CG2-CB 4.28Å; V126-L131 HydrophobicContact CG2-CD2 4.03Å; G129-L131 VanDerWaalsContact C-N 3.3Å; G129-L131 PolarHBondContact O-N 2.98Å; L131-V133 PolarHBondContact O-N 3.5Å; L131-I212 HydrophobicContact CD2-CD1 3.74Å; L131-I212 HydrophobicContact CD2-CG1 3.58Å; L131-N215 HydrophobicContact CD1-CB 4.41Å; L131-N215 HydrophobicContact CD2-CB 4.46Å; L131-L217 HydrophobicContact CD1-CB 3.8Å |
| 132 | P | 86.7 | Confident | 89.7 | Confident | 56 Ų | 56 | 42.6 Ų | 42.6 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | trans | -67.8 | 133.5 | 178.6 | 28.2 | -33.9 | 0 | 0 | 0 | 110 | N215 L217 | P132-N215 PolarHBondContact O-ND2 2.85Å; P132-L217 HydrophobicContact CG-CD1 3.68Å | ||
| 133 | V | 89.5 | Confident | 89.6 | Confident | 14 Ų | 14 | 42.7 Ų | 42.7 | 9% | 0.085 | 23% | 0.228 | C | C | . | . | trans | -128.9 | 152 | -178.7 | -72.2 | 0 | 0 | 0 | 0 | 109.6 | V126 L131 L137 A138 L141 V175 | V126-V133 HydrophobicContact CG1-CG2 3.86Å; V126-V133 HydrophobicContact CG2-CG1 4.09Å; L131-V133 PolarHBondContact O-N 3.5Å; V133-L137 HydrophobicContact CB-CD2 4.2Å; V133-L137 HydrophobicContact CB-CG 4.4Å; V133-L137 HydrophobicContact CG1-CD2 3.95Å; V133-L137 HydrophobicContact CG1-CG 4.38Å; V133-A138 HydrophobicContact CG2-CB 3.8Å; V133-L141 HydrophobicContact CG1-CD1 4.28Å; V133-V175 HydrophobicContact CG2-CG2 4.36Å | ||
| 134 | T | 89.7 | Confident | 89.7 | Confident | 95 Ų | 95 | 41.5 Ų | 41.5 | 58% | 0.583 | 22% | 0.223 | S | C | * | . | trans | -70.9 | 151.5 | 169.9 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | K136 L137 A138 | T134-K136 VanDerWaalsContact C-N 3.31Å; T134-K136 PolarHBondContact O-N 3.46Å; T134-L137 PolarHBondContact O-N 2.75Å; T134-L137 WeakPolarHBondContact OG1-CB 3.4Å; T134-L137 PolarHBondContact OG1-N 2.8Å; T134-A138 PolarHBondContact O-N 2.79Å | ||
| 135 | L | 88.7 | Confident | 89.9 | Confident | 37 Ų | 37 | 38.7 Ų | 38.7 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.5 | -47.1 | 179.7 | 175.8 | 59.9 | 0 | 0 | 0 | 112.7 | L137 A138 I139 F178 L180 Y185 | L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 2.8Å; L135-A138 WeakPolarHBondContact O-CB 3.21Å; L135-A138 PolarHBondContact O-N 3.21Å; L135-A138 VanDerWaalsContact O-N 3.13Å; L135-I139 HydrophobicContact CD1-CD1 3.97Å; L135-I139 HydrophobicContact CD1-CG1 4.32Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.46Å; L135-I139 PolarHBondContact O-N 3.15Å; L135-F178 HydrophobicContact CB-CD1 4.43Å; L135-F178 HydrophobicContact CB-CD2 3.97Å; L135-F178 HydrophobicContact CB-CE1 4.44Å; L135-F178 HydrophobicContact CB-CE2 4Å; L135-F178 HydrophobicContact CB-CG 4.21Å; L135-F178 HydrophobicContact CB-CZ 4.24Å; L135-F178 HydrophobicContact CD1-CB 4.07Å; L135-F178 HydrophobicContact CD1-CD1 4.42Å; L135-F178 HydrophobicContact CD1-CG 4.11Å; L135-F178 HydrophobicContact CD2-CD1 4Å; L135-F178 HydrophobicContact CD2-CE1 4.12Å; L135-F178 HydrophobicContact CD2-CG 4.44Å; L135-F178 HydrophobicContact CG-CG 4.49Å; L135-L180 HydrophobicContact CD1-CD2 3.85Å; L135-Y185 HydrophobicContact CD1-CD1 4.09Å; L135-Y185 HydrophobicContact CD1-CD2 4.24Å; L135-Y185 HydrophobicContact CD1-CE1 4.03Å; L135-Y185 HydrophobicContact CD1-CE2 4.15Å; L135-Y185 HydrophobicContact CD1-CG 4.22Å; L135-Y185 HydrophobicContact CD2-CD1 4.4Å; L135-Y185 HydrophobicContact CD2-CE1 3.64Å; L135-Y185 HydrophobicContact CG-CE1 4.33Å |
| 136 | K | 91.4 | Very high | 90.1 | Very high | 134 Ų | 134 | 37.2 Ų | 37.2 | 58% | 0.583 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -60.2 | -38.8 | 176.9 | -177.9 | 169.7 | -178.7 | 168.6 | 0 | 113.1 | T134 K140 | T134-K136 VanDerWaalsContact C-N 3.31Å; T134-K136 PolarHBondContact O-N 3.46Å; K136-K140 WeakPolarHBondContact O-CB 3.38Å; K136-K140 PolarHBondContact O-N 3.17Å |
| 137 | L | 92.6 | Very high | 90.3 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -71.6 | -38.2 | 175.2 | 179.3 | 60.2 | 0 | 0 | 0 | 111.1 | V133 T134 L135 K140 L141 E211 | V133-L137 HydrophobicContact CB-CD2 4.2Å; V133-L137 HydrophobicContact CB-CG 4.4Å; V133-L137 HydrophobicContact CG1-CD2 3.95Å; V133-L137 HydrophobicContact CG1-CG 4.38Å; T134-L137 PolarHBondContact O-N 2.75Å; T134-L137 WeakPolarHBondContact OG1-CB 3.4Å; T134-L137 PolarHBondContact OG1-N 2.8Å; L135-L137 VanDerWaalsContact C-N 3.33Å; L135-L137 PolarHBondContact O-N 2.8Å; L137-K140 PolarHBondContact O-N 2.88Å; L137-L141 HydrophobicContact CD1-CD1 3.97Å; L137-L141 HydrophobicContact CD1-CD2 4.48Å; L137-L141 HydrophobicContact CD1-CG 3.92Å; L137-L141 HydrophobicContact CD2-CD1 4.46Å; L137-L141 HydrophobicContact CG-CD1 3.78Å; L137-L141 HydrophobicContact CG-CG 4.21Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 WeakPolarHBondContact O-CG 2.97Å; L137-L141 PolarHBondContact O-N 2.82Å; L137-E211 HydrophobicContact CD1-CB 4.08Å |
| 138 | A | 91.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -47.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V133 T134 L135 L141 Q142 L180 | V133-A138 HydrophobicContact CG2-CB 3.8Å; T134-A138 PolarHBondContact O-N 2.79Å; L135-A138 WeakPolarHBondContact O-CB 3.21Å; L135-A138 PolarHBondContact O-N 3.21Å; L135-A138 VanDerWaalsContact O-N 3.13Å; A138-L141 PolarHBondContact O-N 3.44Å; A138-Q142 WeakPolarHBondContact O-CB 3.23Å; A138-Q142 WeakPolarHBondContact O-CG 3.13Å; A138-Q142 PolarHBondContact O-N 3.47Å; A138-L180 HydrophobicContact CB-CD1 4.09Å; A138-L180 HydrophobicContact CB-CD2 4.37Å |
| 139 | I | 92.1 | Very high | 91.1 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.3 | -52.2 | 175.1 | -71.6 | 164.6 | 0 | 0 | 0 | 110.6 | L135 L141 Q142 A143 Y185 D188 I189 | L135-I139 HydrophobicContact CD1-CD1 3.97Å; L135-I139 HydrophobicContact CD1-CG1 4.32Å; L135-I139 HydrophobicContact CG-CD1 4.03Å; L135-I139 WeakPolarHBondContact O-CG1 3.46Å; L135-I139 PolarHBondContact O-N 3.15Å; I139-L141 PolarHBondContact O-N 2.96Å; I139-Q142 PolarHBondContact O-N 2.78Å; I139-Q142 VanDerWaalsContact O-N 3.15Å; I139-A143 PolarHBondContact O-N 3.19Å; I139-Y185 HydrophobicContact CD1-CD1 4.24Å; I139-D188 HydrophobicContact CD1-CB 4.13Å; I139-D188 HydrophobicContact CG2-CB 4.03Å; I139-I189 HydrophobicContact CB-CG1 4.11Å; I139-I189 HydrophobicContact CG1-CD1 4.37Å; I139-I189 HydrophobicContact CG1-CG1 4.08Å; I139-I189 HydrophobicContact CG2-CG1 3.88Å |
| 140 | K | 93.7 | Very high | 91.5 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 34% | 0.335 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.4 | -42.7 | -179.7 | -169.9 | 178.1 | 178.3 | -169.4 | 0 | 112.7 | K136 L137 Q142 A143 Y144 E211 | K136-K140 WeakPolarHBondContact O-CB 3.38Å; K136-K140 PolarHBondContact O-N 3.17Å; L137-K140 PolarHBondContact O-N 2.88Å; K140-Q142 VanDerWaalsContact C-N 3.34Å; K140-Q142 PolarHBondContact O-N 3.49Å; K140-A143 PolarHBondContact O-N 3.3Å; K140-Y144 HydrophobicContact CD-CE2 4.15Å; K140-Y144 WeakPolarHBondContact CE-OH 3.33Å; K140-Y144 HydrophobicContact CG-CD2 4.18Å; K140-Y144 HydrophobicContact CG-CE2 3.63Å; K140-Y144 VanDerWaalsContact O-CD2 3.23Å; K140-Y144 WeakPolarHBondContact O-CD2 3.16Å; K140-Y144 PolarHBondContact O-N 2.82Å; K140-E211 WeakPolarHBondContact CD-OE2 3.37Å; K140-E211 WeakPolarHBondContact CE-OE2 3.35Å; K140-E211 IonicContact NZ-OE1 2.78Å; K140-E211 PolarHBondContact NZ-OE1 3.43Å; K140-E211 IonicContact NZ-OE2 2.7Å; K140-E211 PolarHBondContact NZ-OE2 3.06Å |
| 141 | L | 95 | Very high | 91.9 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | 175.6 | -72.3 | 171.9 | 0 | 0 | 0 | 112.6 | V133 L137 A138 I139 S145 F208 E211 I212 | V133-L141 HydrophobicContact CG1-CD1 4.28Å; L137-L141 HydrophobicContact CD1-CD1 3.97Å; L137-L141 HydrophobicContact CD1-CD2 4.48Å; L137-L141 HydrophobicContact CD1-CG 3.92Å; L137-L141 HydrophobicContact CD2-CD1 4.46Å; L137-L141 HydrophobicContact CG-CD1 3.78Å; L137-L141 HydrophobicContact CG-CG 4.21Å; L137-L141 WeakPolarHBondContact O-CB 3.23Å; L137-L141 WeakPolarHBondContact O-CG 2.97Å; L137-L141 PolarHBondContact O-N 2.82Å; A138-L141 PolarHBondContact O-N 3.44Å; I139-L141 PolarHBondContact O-N 2.96Å; L141-S145 VanDerWaalsContact O-CB 3.27Å; L141-S145 WeakPolarHBondContact O-CB 3.24Å; L141-S145 PolarHBondContact O-N 2.9Å; L141-F208 HydrophobicContact CB-CD2 4.18Å; L141-F208 HydrophobicContact CB-CE2 3.81Å; L141-F208 HydrophobicContact CD2-CD1 4.26Å; L141-F208 HydrophobicContact CD2-CD2 3.68Å; L141-F208 HydrophobicContact CD2-CE1 4.34Å; L141-F208 HydrophobicContact CD2-CE2 3.78Å; L141-F208 HydrophobicContact CD2-CG 3.92Å; L141-F208 HydrophobicContact CD2-CZ 4.09Å; L141-F208 HydrophobicContact CG-CE2 4.32Å; L141-F208 WeakPolarHBondContact O-CD2 3.33Å; L141-F208 WeakPolarHBondContact O-CE2 3.43Å; L141-E211 HydrophobicContact CD2-CB 4.15Å; L141-I212 HydrophobicContact CD1-CD1 4.03Å; L141-I212 HydrophobicContact CD1-CG1 4.39Å; L141-I212 HydrophobicContact CD2-CB 4.16Å |
| 142 | Q | 92.3 | Very high | 92.1 | Very high | 25 Ų | 25 | 36.6 Ų | 36.6 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.2 | -36.4 | 177.2 | -70.6 | -77.5 | 50.5 | 0 | 0 | 112.3 | A138 I139 K140 S145 L146 W163 L180 I189 | A138-Q142 WeakPolarHBondContact O-CB 3.23Å; A138-Q142 WeakPolarHBondContact O-CG 3.13Å; A138-Q142 PolarHBondContact O-N 3.47Å; I139-Q142 PolarHBondContact O-N 2.78Å; I139-Q142 VanDerWaalsContact O-N 3.15Å; K140-Q142 VanDerWaalsContact C-N 3.34Å; K140-Q142 PolarHBondContact O-N 3.49Å; Q142-S145 WeakPolarHBondContact O-CB 3.44Å; Q142-S145 PolarHBondContact O-N 2.86Å; Q142-L146 PolarHBondContact O-N 3.35Å; Q142-W163 HydrophobicContact CB-CH2 3.82Å; Q142-W163 HydrophobicContact CB-CZ3 4.02Å; Q142-W163 HydrophobicContact CG-CH2 3.88Å; Q142-W163 HydrophobicContact CG-CZ3 4.43Å; Q142-L180 HydrophobicContact CG-CD1 4.34Å; Q142-I189 HydrophobicContact CB-CD1 3.83Å; Q142-I189 HydrophobicContact CB-CG1 4.11Å; Q142-I189 HydrophobicContact CB-CG2 3.97Å; Q142-I189 HydrophobicContact CG-CD1 4.21Å |
| 143 | A | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.9 | -50.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I139 K140 S145 L146 Q147 L196 | I139-A143 PolarHBondContact O-N 3.19Å; K140-A143 PolarHBondContact O-N 3.3Å; A143-S145 PolarHBondContact O-N 2.98Å; A143-L146 WeakPolarHBondContact O-CB 3.31Å; A143-L146 PolarHBondContact O-N 3.5Å; A143-L146 VanDerWaalsContact O-N 3.1Å; A143-Q147 PolarHBondContact O-N 3.45Å; A143-Q147 VanDerWaalsContact O-N 3.14Å; A143-L196 HydrophobicContact CB-CD1 4.13Å |
| 144 | Y | 95.7 | Very high | 92.3 | Very high | 28 Ų | 28 | 40.4 Ų | 40.4 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.5 | -36.7 | 172 | -68.9 | -51.4 | 0 | 0 | 0 | 112.2 | K140 L146 Q147 A148 L196 Y207 E211 | K140-Y144 HydrophobicContact CD-CE2 4.15Å; K140-Y144 WeakPolarHBondContact CE-OH 3.33Å; K140-Y144 HydrophobicContact CG-CD2 4.18Å; K140-Y144 HydrophobicContact CG-CE2 3.63Å; K140-Y144 VanDerWaalsContact O-CD2 3.23Å; K140-Y144 WeakPolarHBondContact O-CD2 3.16Å; K140-Y144 PolarHBondContact O-N 2.82Å; Y144-L146 VanDerWaalsContact C-N 3.32Å; Y144-L146 PolarHBondContact O-N 3.24Å; Y144-Q147 PolarHBondContact O-N 3.25Å; Y144-A148 WeakPolarHBondContact O-CB 3.3Å; Y144-A148 PolarHBondContact O-N 2.81Å; Y144-L196 HydrophobicContact CD1-CD1 3.57Å; Y144-L196 HydrophobicContact CD1-CD2 3.95Å; Y144-L196 HydrophobicContact CD1-CG 4.44Å; Y144-L196 HydrophobicContact CE1-CD1 4.02Å; Y144-L196 HydrophobicContact CE1-CD2 3.54Å; Y144-L196 HydrophobicContact CE1-CG 4.46Å; Y144-L196 HydrophobicContact CG-CD1 4.34Å; Y144-Y207 HydrophobicContact CD1-CD2 4.4Å; Y144-Y207 AromaticContact CE1-CD2 3.9Å; Y144-Y207 HydrophobicContact CE1-CD2 3.9Å; Y144-Y207 AromaticContact CE1-CG 3.97Å; Y144-Y207 HydrophobicContact CE1-CG 3.97Å; Y144-E211 HydrophobicContact CE2-CG 3.95Å |
| 145 | S | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.4 | -34.5 | 176.8 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | Y119 R123 L141 Q142 A143 E149 R166 | Y119-S145 WeakPolarHBondContact OH-CA 2.99Å; Y119-S145 PolarHBondContact OH-O 3.24Å; Y119-S145 PolarHBondContact OH-OG 3.02Å; R123-S145 WeakPolarHBondContact CD-OG 3.31Å; L141-S145 VanDerWaalsContact O-CB 3.27Å; L141-S145 WeakPolarHBondContact O-CB 3.24Å; L141-S145 PolarHBondContact O-N 2.9Å; Q142-S145 WeakPolarHBondContact O-CB 3.44Å; Q142-S145 PolarHBondContact O-N 2.86Å; A143-S145 PolarHBondContact O-N 2.98Å; S145-E149 PolarHBondContact O-N 3.17Å; S145-R166 PolarHBondContact O-NH2 3.4Å; S145-R166 PolarHBondContact OG-NH2 3.3Å |
| 146 | L | 92.9 | Very high | 92 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -53.8 | 173.3 | -77.8 | 167.3 | 0 | 0 | 0 | 110.1 | Q142 A143 Y144 A148 E149 F150 T159 W163 I189 Y193 | Q142-L146 PolarHBondContact O-N 3.35Å; A143-L146 WeakPolarHBondContact O-CB 3.31Å; A143-L146 PolarHBondContact O-N 3.5Å; A143-L146 VanDerWaalsContact O-N 3.1Å; Y144-L146 VanDerWaalsContact C-N 3.32Å; Y144-L146 PolarHBondContact O-N 3.24Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.46Å; L146-E149 PolarHBondContact O-N 3.05Å; L146-F150 HydrophobicContact CD2-CD2 3.79Å; L146-F150 HydrophobicContact CD2-CE2 3.88Å; L146-F150 PolarHBondContact O-N 3.48Å; L146-T159 HydrophobicContact CD1-CG2 4.14Å; L146-W163 HydrophobicContact CD1-CE3 4.1Å; L146-W163 HydrophobicContact CD1-CZ3 4.27Å; L146-W163 HydrophobicContact CD2-CE3 4.18Å; L146-W163 HydrophobicContact CG-CE3 4.32Å; L146-W163 HydrophobicContact CG-CZ3 4.44Å; L146-I189 HydrophobicContact CD1-CG2 3.75Å; L146-Y193 HydrophobicContact CB-CD1 3.74Å; L146-Y193 HydrophobicContact CB-CD2 3.68Å; L146-Y193 HydrophobicContact CB-CE1 3.85Å; L146-Y193 HydrophobicContact CB-CE2 3.81Å; L146-Y193 HydrophobicContact CB-CG 3.65Å; L146-Y193 HydrophobicContact CD1-CD1 3.61Å; L146-Y193 HydrophobicContact CD1-CE1 4.26Å; L146-Y193 HydrophobicContact CD1-CG 3.88Å; L146-Y193 HydrophobicContact CD2-CE1 4.49Å; L146-Y193 HydrophobicContact CG-CD1 4.17Å; L146-Y193 HydrophobicContact CG-CE1 4.42Å; L146-Y193 HydrophobicContact CG-CG 4.39Å |
| 147 | Q | 94.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -39.3 | 176.7 | -166.9 | 72.5 | 27 | 0 | 0 | 112.5 | A143 Y144 E149 G151 D152 Y193 L196 V199 A204 | A143-Q147 PolarHBondContact O-N 3.45Å; A143-Q147 VanDerWaalsContact O-N 3.14Å; Y144-Q147 PolarHBondContact O-N 3.25Å; Q147-E149 PolarHBondContact O-N 3.14Å; Q147-G151 WeakPolarHBondContact O-CA 3.28Å; Q147-G151 PolarHBondContact O-N 3Å; Q147-G151 VanDerWaalsContact O-N 3.15Å; Q147-G151 PolarHBondContact OE1-O 2.79Å; Q147-D152 PolarHBondContact NE2-OD1 2.83Å; Q147-Y193 HydrophobicContact CB-CD2 4.18Å; Q147-Y193 HydrophobicContact CB-CE2 4.05Å; Q147-Y193 VanDerWaalsContact OE1-CE2 3.22Å; Q147-L196 HydrophobicContact CB-CB 4.28Å; Q147-L196 HydrophobicContact CB-CD1 4.08Å; Q147-L196 HydrophobicContact CG-CB 4.04Å; Q147-L196 PolarHBondContact NE2-O 3.25Å; Q147-L196 PolarHBondContact OE1-O 2.75Å; Q147-V199 HydrophobicContact CG-CB 4.16Å; Q147-V199 HydrophobicContact CG-CG1 4.4Å; Q147-V199 WeakPolarHBondContact CG-O 3.31Å; Q147-V199 PolarHBondContact NE2-O 3.38Å; Q147-A204 HydrophobicContact CB-CB 3.78Å; Q147-A204 HydrophobicContact CG-CB 3.71Å |
| 148 | A | 94.3 | Very high | 91.1 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -77.6 | -7.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y119 Y144 L146 A204 I205 | Y119-A148 HydrophobicContact CE1-CB 4.04Å; Y119-A148 HydrophobicContact CE2-CB 4.32Å; Y119-A148 WeakPolarHBondContact OH-CB 3.41Å; Y144-A148 WeakPolarHBondContact O-CB 3.3Å; Y144-A148 PolarHBondContact O-N 2.81Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.46Å; A148-A204 HydrophobicContact CB-CB 3.87Å; A148-I205 HydrophobicContact CB-CG1 3.82Å |
| 149 | E | 90.6 | Very high | 90.5 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -112 | -43.7 | 172.7 | -75.7 | -165.5 | 142.7 | 0 | 0 | 113 | R123 S145 L146 Q147 R166 Q201 | R123-E149 IonicContact CZ-OE1 2.64Å; R123-E149 IonicContact NH1-OE1 2.86Å; R123-E149 PolarHBondContact NH1-OE1 2.84Å; R123-E149 IonicContact NH1-OE2 3.72Å; R123-E149 IonicContact NH2-OE1 3.28Å; R123-E149 PolarHBondContact NH2-OE1 2.76Å; R123-E149 IonicContact NH2-OE2 3.59Å; S145-E149 PolarHBondContact O-N 3.17Å; L146-E149 PolarHBondContact O-N 3.05Å; Q147-E149 PolarHBondContact O-N 3.14Å; E149-R166 IonicContact OE2-CZ 3.24Å; E149-R166 VanDerWaalsContact OE2-CZ 3.22Å; E149-R166 IonicContact OE2-NE 2.75Å; E149-R166 PolarHBondContact OE2-NE 3.31Å; E149-R166 IonicContact OE2-NH2 3.48Å; E149-R166 PolarHBondContact OE2-NH2 2.99Å; E149-Q201 PolarHBondContact O-NE2 3.12Å |
| 150 | F | 90.5 | Very high | 89.9 | Confident | 78 Ų | 78 | 45.4 Ų | 45.4 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -104.3 | -9.2 | -169.9 | -57.8 | -74.1 | 0 | 0 | 0 | 113.2 | L146 N162 | L146-F150 HydrophobicContact CD2-CD2 3.79Å; L146-F150 HydrophobicContact CD2-CE2 3.88Å; L146-F150 PolarHBondContact O-N 3.48Å; F150-N162 HydrophobicContact CD1-CB 4.06Å; F150-N162 WeakPolarHBondContact CD1-ND2 3.39Å; F150-N162 HydrophobicContact CD2-CB 4.09Å; F150-N162 HydrophobicContact CE1-CB 3.76Å; F150-N162 HydrophobicContact CE2-CB 3.8Å; F150-N162 HydrophobicContact CG-CB 4.22Å; F150-N162 HydrophobicContact CZ-CB 3.63Å |
| 151 | G | 92.3 | Very high | 89.1 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 23% | 0.232 | C | C | . | . | trans | 75.8 | -153.5 | -169 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q147 Y193 | Q147-G151 WeakPolarHBondContact O-CA 3.28Å; Q147-G151 PolarHBondContact O-N 3Å; Q147-G151 VanDerWaalsContact O-N 3.15Å; Q147-G151 PolarHBondContact OE1-O 2.79Å; G151-Y193 VanDerWaalsContact O-CE2 3.25Å; G151-Y193 WeakPolarHBondContact O-CE2 3.45Å; G151-Y193 PolarHBondContact O-OH 3.33Å | ||
| 152 | D | 93 | Very high | 88.3 | Confident | 70 Ų | 70 | 45.4 Ų | 45.4 | 37% | 0.374 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -58.8 | 145.2 | -176.9 | -70.9 | -39.7 | 0 | 0 | 0 | 113.7 | Q147 V154 Y193 Q197 G198 | Q147-D152 PolarHBondContact NE2-OD1 2.83Å; D152-V154 PolarHBondContact O-N 3.18Å; D152-Y193 PolarHBondContact O-OH 2.92Å; D152-Q197 HydrophobicContact CB-CG 4.3Å; D152-Q197 WeakPolarHBondContact OD1-CA 3.3Å; D152-G198 PolarHBondContact OD1-N 3.34Å |
| 153 | F | 90.9 | Very high | 87.3 | Confident | 36 Ų | 36 | 45 Ų | 45 | 16% | 0.158 | 24% | 0.238 | C | C | . | . | trans | -57.8 | 125.3 | 168.8 | 173.1 | -94.5 | 0 | 0 | 0 | 110.8 | D155 I156 T159 V190 Y193 | F153-D155 WeakPolarHBondContact CE2-O 3.15Å; F153-D155 VanDerWaalsContact CZ-C 3.47Å; F153-I156 HydrophobicContact CE2-CG1 4.42Å; F153-I156 HydrophobicContact CZ-CG1 3.92Å; F153-T159 WeakPolarHBondContact CD2-OG1 3.33Å; F153-T159 VanDerWaalsContact CE2-OG1 3.27Å; F153-T159 WeakPolarHBondContact CE2-OG1 3.38Å; F153-V190 HydrophobicContact CE2-CG1 3.93Å; F153-Y193 HydrophobicContact CB-CD1 4.11Å; F153-Y193 HydrophobicContact CB-CD2 4.32Å; F153-Y193 HydrophobicContact CB-CE1 3.99Å; F153-Y193 HydrophobicContact CB-CE2 4.17Å; F153-Y193 HydrophobicContact CB-CG 4.28Å; F153-Y193 AromaticContact CD2-CD1 3.7Å; F153-Y193 HydrophobicContact CD2-CD1 3.7Å; F153-Y193 AromaticContact CD2-CE1 3.89Å; F153-Y193 HydrophobicContact CD2-CE1 3.89Å; F153-Y193 HydrophobicContact CD2-CG 4.42Å; F153-Y193 HydrophobicContact CG-CD1 4.39Å; F153-Y193 HydrophobicContact CG-CE1 4.45Å | ||
| 154 | V | 88.4 | Confident | 86.2 | Confident | 113 Ų | 113 | 54.3 Ų | 54.3 | 69% | 0.685 | 27% | 0.272 | S | S | * | . | trans | -98.8 | -63.1 | 178 | 179 | 0 | 0 | 0 | 0 | 110.4 | D152 | D152-V154 PolarHBondContact O-N 3.18Š| ||
| 155 | D | 86.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 30% | 0.298 | S | S | . | . | trans | -153.1 | 175.3 | 174.9 | 63.2 | 51.4 | 0 | 0 | 0 | 111.5 | F153 E157 T158 T159 | F153-D155 WeakPolarHBondContact CE2-O 3.15Å; F153-D155 VanDerWaalsContact CZ-C 3.47Å; D155-E157 PolarHBondContact OD1-N 3.03Å; D155-T158 VanDerWaalsContact CG-OG1 3.23Å; D155-T158 PolarHBondContact N-OG1 2.75Å; D155-T158 PolarHBondContact O-OG1 2.81Å; D155-T158 VanDerWaalsContact O-OG1 3.11Å; D155-T158 WeakPolarHBondContact OD1-CB 3.37Å; D155-T158 WeakPolarHBondContact OD1-CG2 3.24Å; D155-T158 PolarHBondContact OD1-N 3.33Å; D155-T158 PolarHBondContact OD1-OG1 3.26Å; D155-T159 VanDerWaalsContact O-CB 3.27Å; D155-T159 WeakPolarHBondContact O-CB 3.38Å; D155-T159 PolarHBondContact O-N 2.8Å; D155-T159 VanDerWaalsContact O-N 3.11Å; D155-T159 PolarHBondContact O-OG1 2.84Å | ||
| 156 | I | 84.6 | Confident | 83.1 | Confident | 97 Ų | 97 | 61.6 Ų | 61.6 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -71.8 | -36 | -177.8 | -57.5 | 178.6 | 0 | 0 | 0 | 111.5 | F153 T159 L160 V190 | F153-I156 HydrophobicContact CE2-CG1 4.42Å; F153-I156 HydrophobicContact CZ-CG1 3.92Å; I156-T159 PolarHBondContact O-N 3.29Å; I156-L160 HydrophobicContact CG2-CD1 3.8Å; I156-L160 HydrophobicContact CG2-CG 4.16Å; I156-L160 WeakPolarHBondContact O-CB 3.35Å; I156-L160 VanDerWaalsContact O-CG 3.23Å; I156-L160 WeakPolarHBondContact O-CG 3.4Å; I156-L160 PolarHBondContact O-N 3.38Å; I156-V190 HydrophobicContact CG1-CG1 4.25Å |
| 157 | E | 82.5 | Confident | 80.9 | Confident | 165 Ų | 165 | 68 Ų | 68 | 77% | 0.771 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.8 | -45.1 | -176.7 | -65.9 | -163.6 | 169.3 | 0 | 0 | 111.8 | D155 L160 S161 | D155-E157 PolarHBondContact OD1-N 3.03Å; E157-L160 PolarHBondContact O-N 3.43Å; E157-S161 PolarHBondContact O-N 2.99Å; E157-S161 PolarHBondContact O-OG 2.89Å |
| 158 | T | 82.5 | Confident | 78.6 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 173 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | D155 S161 N162 | D155-T158 VanDerWaalsContact CG-OG1 3.23Å; D155-T158 PolarHBondContact N-OG1 2.75Å; D155-T158 PolarHBondContact O-OG1 2.81Å; D155-T158 VanDerWaalsContact O-OG1 3.11Å; D155-T158 WeakPolarHBondContact OD1-CB 3.37Å; D155-T158 WeakPolarHBondContact OD1-CG2 3.24Å; D155-T158 PolarHBondContact OD1-N 3.33Å; D155-T158 PolarHBondContact OD1-OG1 3.26Å; T158-S161 WeakPolarHBondContact CA-OG 3.39Å; T158-S161 PolarHBondContact O-N 3.27Å; T158-S161 PolarHBondContact O-OG 2.98Å; T158-N162 VanDerWaalsContact O-CB 3.23Å; T158-N162 WeakPolarHBondContact O-CB 3.4Å; T158-N162 PolarHBondContact O-N 3.19Å; T158-N162 PolarHBondContact O-ND2 3.3Å; T158-N162 PolarHBondContact O-OD1 3.26Å |
| 159 | T | 80.6 | Confident | 76.2 | Confident | 2 Ų | 2 | 76.1 Ų | 76.1 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | L146 F153 D155 I156 N162 W163 V190 Y193 | L146-T159 HydrophobicContact CD1-CG2 4.14Å; F153-T159 WeakPolarHBondContact CD2-OG1 3.33Å; F153-T159 VanDerWaalsContact CE2-OG1 3.27Å; F153-T159 WeakPolarHBondContact CE2-OG1 3.38Å; D155-T159 VanDerWaalsContact O-CB 3.27Å; D155-T159 WeakPolarHBondContact O-CB 3.38Å; D155-T159 PolarHBondContact O-N 2.8Å; D155-T159 VanDerWaalsContact O-N 3.11Å; D155-T159 PolarHBondContact O-OG1 2.84Å; I156-T159 PolarHBondContact O-N 3.29Å; T159-N162 PolarHBondContact O-N 2.94Å; T159-W163 VanDerWaalsContact O-CB 3.27Å; T159-W163 WeakPolarHBondContact O-CB 3.4Å; T159-W163 PolarHBondContact O-N 3.13Å; T159-V190 HydrophobicContact CG2-CG2 3.82Å; T159-Y193 HydrophobicContact CG2-CD1 3.63Å; T159-Y193 HydrophobicContact CG2-CE1 3.85Å |
| 160 | L | 79.5 | Confident | 73.4 | Confident | 49 Ų | 49 | 76.4 Ų | 76.4 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.8 | -32.6 | 176.3 | -72.5 | 174.6 | 0 | 0 | 0 | 112.9 | I156 E157 R164 V186 | I156-L160 HydrophobicContact CG2-CD1 3.8Å; I156-L160 HydrophobicContact CG2-CG 4.16Å; I156-L160 WeakPolarHBondContact O-CB 3.35Å; I156-L160 VanDerWaalsContact O-CG 3.23Å; I156-L160 WeakPolarHBondContact O-CG 3.4Å; I156-L160 PolarHBondContact O-N 3.38Å; E157-L160 PolarHBondContact O-N 3.43Å; L160-R164 WeakPolarHBondContact O-CB 3.35Å; L160-R164 WeakPolarHBondContact O-CD 3.1Å; L160-R164 WeakPolarHBondContact O-CG 3.28Å; L160-R164 PolarHBondContact O-N 3.15Å; L160-V186 HydrophobicContact CD2-CG1 3.51Å |
| 161 | S | 77 | Confident | 71 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 32% | 0.322 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.3 | -46.3 | 170.8 | 63.5 | 0 | 0 | 0 | 0 | 111 | E157 T158 W163 R164 E165 | E157-S161 PolarHBondContact O-N 2.99Å; E157-S161 PolarHBondContact O-OG 2.89Å; T158-S161 WeakPolarHBondContact CA-OG 3.39Å; T158-S161 PolarHBondContact O-N 3.27Å; T158-S161 PolarHBondContact O-OG 2.98Å; S161-W163 VanDerWaalsContact C-N 3.27Å; S161-W163 PolarHBondContact O-N 2.92Å; S161-R164 CarbonylContact O-C 3.54Å; S161-R164 PolarHBondContact O-N 3.14Å; S161-E165 WeakPolarHBondContact O-CB 3.35Å; S161-E165 WeakPolarHBondContact O-CG 3.36Å; S161-E165 PolarHBondContact O-N 3.1Å |
| 162 | N | 76.6 | Confident | 68.4 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 19% | 0.193 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -59.9 | -37.6 | 176.6 | -69.1 | -8.1 | 0 | 0 | 0 | 111.8 | F150 T158 T159 R166 | F150-N162 HydrophobicContact CD1-CB 4.06Å; F150-N162 WeakPolarHBondContact CD1-ND2 3.39Å; F150-N162 HydrophobicContact CD2-CB 4.09Å; F150-N162 HydrophobicContact CE1-CB 3.76Å; F150-N162 HydrophobicContact CE2-CB 3.8Å; F150-N162 HydrophobicContact CG-CB 4.22Å; F150-N162 HydrophobicContact CZ-CB 3.63Å; T158-N162 VanDerWaalsContact O-CB 3.23Å; T158-N162 WeakPolarHBondContact O-CB 3.4Å; T158-N162 PolarHBondContact O-N 3.19Å; T158-N162 PolarHBondContact O-ND2 3.3Å; T158-N162 PolarHBondContact O-OD1 3.26Å; T159-N162 PolarHBondContact O-N 2.94Å; N162-R166 PolarHBondContact O-N 3.18Å; N162-R166 VanDerWaalsContact O-N 3.1Å |
| 163 | W | 72.9 | Confident | 66.2 | Low | 16 Ų | 16 | 83.2 Ų | 83.2 | 6% | 0.061 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 173.9 | -169.9 | -101.1 | 0 | 0 | 0 | 113.4 | Q142 L146 T159 S161 R166 I189 | Q142-W163 HydrophobicContact CB-CH2 3.82Å; Q142-W163 HydrophobicContact CB-CZ3 4.02Å; Q142-W163 HydrophobicContact CG-CH2 3.88Å; Q142-W163 HydrophobicContact CG-CZ3 4.43Å; L146-W163 HydrophobicContact CD1-CE3 4.1Å; L146-W163 HydrophobicContact CD1-CZ3 4.27Å; L146-W163 HydrophobicContact CD2-CE3 4.18Å; L146-W163 HydrophobicContact CG-CE3 4.32Å; L146-W163 HydrophobicContact CG-CZ3 4.44Å; T159-W163 VanDerWaalsContact O-CB 3.27Å; T159-W163 WeakPolarHBondContact O-CB 3.4Å; T159-W163 PolarHBondContact O-N 3.13Å; S161-W163 VanDerWaalsContact C-N 3.27Å; S161-W163 PolarHBondContact O-N 2.92Å; W163-R166 WeakPolarHBondContact O-CB 3.29Å; W163-I189 HydrophobicContact CE3-CG2 4.39Å; W163-I189 HydrophobicContact CH2-CD1 3.69Å; W163-I189 HydrophobicContact CH2-CG2 4.03Å; W163-I189 HydrophobicContact CZ2-CD1 4.02Å; W163-I189 HydrophobicContact CZ3-CG2 3.78Å |
| 164 | R | 69.2 | Low | 64.1 | Low | 200 Ų | 200 | 82.2 Ų | 82.2 | 76% | 0.755 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -79 | -29.9 | 175.7 | -71.3 | 169.6 | -177.1 | -162.2 | 1.6 | 113.2 | L160 S161 | L160-R164 WeakPolarHBondContact O-CB 3.35Å; L160-R164 WeakPolarHBondContact O-CD 3.1Å; L160-R164 WeakPolarHBondContact O-CG 3.28Å; L160-R164 PolarHBondContact O-N 3.15Å; S161-R164 CarbonylContact O-C 3.54Å; S161-R164 PolarHBondContact O-N 3.14Å |
| 165 | E | 61.9 | Low | 62.2 | Low | 141 Ų | 141 | 77.9 Ų | 77.9 | 66% | 0.659 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -77.4 | -22.2 | 175.9 | -73.3 | -172.7 | -161 | 0 | 0 | 112.6 | S161 N167 | S161-E165 WeakPolarHBondContact O-CB 3.35Å; S161-E165 WeakPolarHBondContact O-CG 3.36Å; S161-E165 PolarHBondContact O-N 3.1Å; E165-N167 VanDerWaalsContact C-N 3.34Å; E165-N167 PolarHBondContact O-N 3.35Å; E165-N167 PolarHBondContact O-ND2 2.75Å |
| 166 | R | 63.9 | Low | 60.4 | Low | 40 Ų | 40 | 78.8 Ų | 78.8 | 15% | 0.151 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -59.6 | 99.9 | 155.8 | -78.8 | -175.8 | 173.3 | 156.1 | 11.8 | 109.1 | S145 E149 N162 W163 L168 | S145-R166 PolarHBondContact O-NH2 3.4Å; S145-R166 PolarHBondContact OG-NH2 3.3Å; E149-R166 IonicContact OE2-CZ 3.24Å; E149-R166 VanDerWaalsContact OE2-CZ 3.22Å; E149-R166 IonicContact OE2-NE 2.75Å; E149-R166 PolarHBondContact OE2-NE 3.31Å; E149-R166 IonicContact OE2-NH2 3.48Å; E149-R166 PolarHBondContact OE2-NH2 2.99Å; N162-R166 PolarHBondContact O-N 3.18Å; N162-R166 VanDerWaalsContact O-N 3.1Å; W163-R166 WeakPolarHBondContact O-CB 3.29Å; R166-L168 VanDerWaalsContact C-N 3.25Å; R166-L168 PolarHBondContact O-N 2.76Å |
| 167 | N | 46.7 | Very low | 59 | Low | 135 Ų | 135 | 76.5 Ų | 76.5 | 72% | 0.722 | 42% | 0.423 | S | S | * | . | trans | -63.3 | 83.3 | 175.4 | -78.7 | -105.3 | 0 | 0 | 0 | 110.4 | E165 H169 | E165-N167 VanDerWaalsContact C-N 3.34Å; E165-N167 PolarHBondContact O-N 3.35Å; E165-N167 PolarHBondContact O-ND2 2.75Å; N167-H169 PolarHBondContact O-N 2.76Å; N167-H169 VanDerWaalsContact O-N 3.1Å; N167-H169 PolarHBondContact O-ND1 3.43Å | ||
| 168 | L | 46.2 | Very low | 58 | Low | 67 Ų | 67 | 71.2 Ų | 71.2 | 35% | 0.351 | 40% | 0.397 | S | S | . | . | trans | -52.2 | 114.4 | 174.4 | -77.2 | 156.2 | 0 | 0 | 0 | 108.9 | R166 S170 L174 | R166-L168 VanDerWaalsContact C-N 3.25Å; R166-L168 PolarHBondContact O-N 2.76Å; L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 PolarHBondContact O-N 2.73Å; L168-L174 HydrophobicContact CD2-CD1 3.91Å; L168-L174 HydrophobicContact CD2-CD2 3.51Å; L168-L174 HydrophobicContact CD2-CG 4.34Å | ||
| 169 | H | 42.6 | Very low | 57.4 | Low | 111 Ų | 111 | 72.2 Ų | 72.2 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -76.2 | 75.9 | -173 | -81.1 | 22.4 | 0 | 0 | 0 | 111 | N167 | N167-H169 PolarHBondContact O-N 2.76Å; N167-H169 VanDerWaalsContact O-N 3.1Å; N167-H169 PolarHBondContact O-ND1 3.43Å |
| 170 | S | 33.8 | Very low | 57.2 | Low | 75 Ų | 75 | 72.3 Ų | 72.3 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | trans | 63.7 | 120.6 | -174.8 | -170.2 | 0 | 0 | 0 | 0 | 113.9 | L168 S172 S173 | L168-S170 VanDerWaalsContact C-N 3.25Å; L168-S170 PolarHBondContact O-N 2.73Å; S170-S172 PolarHBondContact O-N 2.82Å; S170-S173 PolarHBondContact O-N 3.28Å | ||
| 171 | E | 39.3 | Very low | 56.8 | Low | 138 Ų | 138 | 72.1 Ų | 72.1 | 65% | 0.645 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8.1 | 176 | -65.5 | 140.1 | 144.2 | 0 | 0 | 113.3 | ||
| 172 | S | 38 | Very low | 56.9 | Low | 115 Ų | 115 | 72.5 Ų | 72.5 | 80% | 0.804 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -2.4 | 174.2 | -173.7 | 0 | 0 | 0 | 0 | 115.1 | S170 | S170-S172 PolarHBondContact O-N 2.82Š|
| 173 | S | 46.1 | Very low | 57 | Low | 52 Ų | 52 | 75.7 Ų | 75.7 | 36% | 0.364 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | -13 | -173 | -164 | 0 | 0 | 0 | 0 | 117.1 | M128 G129 S170 V175 | M128-S173 PolarHBondContact O-OG 3.07Å; G129-S173 PolarHBondContact N-O 3.09Å; S170-S173 PolarHBondContact O-N 3.28Å; S173-V175 PolarHBondContact O-N 2.92Å |
| 174 | L | 46.4 | Very low | 57.5 | Low | 15 Ų | 15 | 81.3 Ų | 81.3 | 8% | 0.079 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -76.6 | 105.9 | 171.7 | -88.4 | 88.7 | 0 | 0 | 0 | 109.7 | A127 L168 | A127-L174 HydrophobicContact CB-CG 4.4Å; A127-L174 WeakPolarHBondContact O-CD1 3.22Å; A127-L174 WeakPolarHBondContact O-CG 3.35Å; L168-L174 HydrophobicContact CD2-CD1 3.91Å; L168-L174 HydrophobicContact CD2-CD2 3.51Å; L168-L174 HydrophobicContact CD2-CG 4.34Å |
| 175 | V | 49.4 | Very low | 58.3 | Low | 22 Ų | 22 | 74.1 Ų | 74.1 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | trans | 57.4 | 106.9 | 178.5 | -164.4 | 0 | 0 | 0 | 0 | 113.2 | V133 S173 A177 F178 L180 | V133-V175 HydrophobicContact CG2-CG2 4.36Å; S173-V175 PolarHBondContact O-N 2.92Å; V175-A177 PolarHBondContact O-N 3.25Å; V175-F178 HydrophobicContact CG1-CB 4.36Å; V175-F178 HydrophobicContact CG1-CD2 3.92Å; V175-F178 PolarHBondContact O-N 2.7Å; V175-L180 HydrophobicContact CG2-CD1 4.29Å | ||
| 176 | G | 48.2 | Very low | 59.5 | Low | 84 Ų | 84 | 68 Ų | 68 | 87% | 0.866 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 29.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 177 | A | 55 | Low | 60.7 | Low | 49 Ų | 49 | 70.9 Ų | 70.9 | 41% | 0.405 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.5 | -18.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V175 | V175-A177 PolarHBondContact O-N 3.25Š|
| 178 | F | 62.6 | Low | 62.8 | Low | 54 Ų | 54 | 68.4 Ų | 68.4 | 24% | 0.237 | 40% | 0.403 | C | S | . | . | trans | -147.9 | 116.7 | -170.9 | -54.8 | -73.1 | 0 | 0 | 0 | 113 | L135 V175 L180 | L135-F178 HydrophobicContact CB-CD1 4.43Å; L135-F178 HydrophobicContact CB-CD2 3.97Å; L135-F178 HydrophobicContact CB-CE1 4.44Å; L135-F178 HydrophobicContact CB-CE2 4Å; L135-F178 HydrophobicContact CB-CG 4.21Å; L135-F178 HydrophobicContact CB-CZ 4.24Å; L135-F178 HydrophobicContact CD1-CB 4.07Å; L135-F178 HydrophobicContact CD1-CD1 4.42Å; L135-F178 HydrophobicContact CD1-CG 4.11Å; L135-F178 HydrophobicContact CD2-CD1 4Å; L135-F178 HydrophobicContact CD2-CE1 4.12Å; L135-F178 HydrophobicContact CD2-CG 4.44Å; L135-F178 HydrophobicContact CG-CG 4.49Å; V175-F178 HydrophobicContact CG1-CB 4.36Å; V175-F178 HydrophobicContact CG1-CD2 3.92Å; V175-F178 PolarHBondContact O-N 2.7Å; F178-L180 PolarHBondContact O-N 3.04Å | ||
| 179 | D | 70.4 | Confident | 65 | Low | 69 Ų | 69 | 65.2 Ų | 65.2 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | trans | -81.9 | 102.8 | 174.7 | -174.4 | -7.8 | 0 | 0 | 0 | 111.3 | S181 T182 Y185 | D179-S181 PolarHBondContact O-N 3.24Å; D179-S181 VanDerWaalsContact O-N 3.16Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.48Å; D179-S181 PolarHBondContact OD1-N 2.89Å; D179-S181 PolarHBondContact OD1-OG 2.73Å; D179-S181 PolarHBondContact OD2-OG 2.74Å; D179-S181 VanDerWaalsContact OD2-OG 3.1Å; D179-T182 WeakPolarHBondContact O-CB 3.25Å; D179-T182 PolarHBondContact O-N 3.15Å; D179-T182 VanDerWaalsContact O-N 3.17Å; D179-T182 PolarHBondContact O-OG1 2.82Å; D179-Y185 WeakPolarHBondContact O-CD2 3.4Å | ||
| 180 | L | 75.1 | Confident | 67.3 | Low | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 2 | 178.6 | -60 | 174.1 | 0 | 0 | 0 | 114.3 | L135 A138 Q142 V175 F178 Y185 | L135-L180 HydrophobicContact CD1-CD2 3.85Å; A138-L180 HydrophobicContact CB-CD1 4.09Å; A138-L180 HydrophobicContact CB-CD2 4.37Å; Q142-L180 HydrophobicContact CG-CD1 4.34Å; V175-L180 HydrophobicContact CG2-CD1 4.29Å; F178-L180 PolarHBondContact O-N 3.04Å; L180-Y185 HydrophobicContact CD2-CD2 4.36Å |
| 181 | S | 71.8 | Confident | 70.1 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 32% | 0.322 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -16.4 | 167.9 | 76.3 | 0 | 0 | 0 | 0 | 113.1 | D179 T183 | D179-S181 PolarHBondContact O-N 3.24Å; D179-S181 VanDerWaalsContact O-N 3.16Å; D179-S181 VanDerWaalsContact OD1-CB 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.48Å; D179-S181 PolarHBondContact OD1-N 2.89Å; D179-S181 PolarHBondContact OD1-OG 2.73Å; D179-S181 PolarHBondContact OD2-OG 2.74Å; D179-S181 VanDerWaalsContact OD2-OG 3.1Å; S181-T183 PolarHBondContact O-N 3.1Å |
| 182 | T | 78.1 | Confident | 72.7 | Confident | 54 Ų | 54 | 59 Ų | 59 | 33% | 0.331 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -55.6 | 131.4 | 176 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | D179 E184 Y185 V186 | D179-T182 WeakPolarHBondContact O-CB 3.25Å; D179-T182 PolarHBondContact O-N 3.15Å; D179-T182 VanDerWaalsContact O-N 3.17Å; D179-T182 PolarHBondContact O-OG1 2.82Å; T182-E184 VanDerWaalsContact C-N 3.27Å; T182-E184 HydrophobicContact CG2-CB 4.46Å; T182-E184 PolarHBondContact O-N 2.81Å; T182-Y185 PolarHBondContact O-N 2.96Å; T182-V186 PolarHBondContact O-N 2.53Å |
| 183 | T | 80.1 | Confident | 75.4 | Confident | 102 Ų | 102 | 53.7 Ų | 53.7 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.2 | -41.5 | -174.1 | 46.6 | 0 | 0 | 0 | 0 | 113.2 | S181 Y185 V186 D187 | S181-T183 PolarHBondContact O-N 3.1Å; T183-Y185 VanDerWaalsContact C-N 3.32Å; T183-Y185 PolarHBondContact O-N 2.89Å; T183-V186 PolarHBondContact O-N 2.74Å; T183-V186 VanDerWaalsContact O-N 3.12Å; T183-D187 PolarHBondContact O-N 2.7Å |
| 184 | E | 83.3 | Confident | 77.6 | Confident | 134 Ų | 134 | 53 Ų | 53 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -54.6 | -44.7 | 177.4 | -59.1 | 179.1 | 169.5 | 0 | 0 | 112.5 | T182 D188 | T182-E184 VanDerWaalsContact C-N 3.27Å; T182-E184 HydrophobicContact CG2-CB 4.46Å; T182-E184 PolarHBondContact O-N 2.81Å; E184-D188 PolarHBondContact O-N 2.85Å; E184-D188 VanDerWaalsContact O-N 3.11Å |
| 185 | Y | 86.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -78.4 | -28.7 | 178.8 | -55 | -36 | 0 | 0 | 0 | 112.6 | L135 I139 D179 L180 T182 T183 I189 | L135-Y185 HydrophobicContact CD1-CD1 4.09Å; L135-Y185 HydrophobicContact CD1-CD2 4.24Å; L135-Y185 HydrophobicContact CD1-CE1 4.03Å; L135-Y185 HydrophobicContact CD1-CE2 4.15Å; L135-Y185 HydrophobicContact CD1-CG 4.22Å; L135-Y185 HydrophobicContact CD2-CD1 4.4Å; L135-Y185 HydrophobicContact CD2-CE1 3.64Å; L135-Y185 HydrophobicContact CG-CE1 4.33Å; I139-Y185 HydrophobicContact CD1-CD1 4.24Å; D179-Y185 WeakPolarHBondContact O-CD2 3.4Å; L180-Y185 HydrophobicContact CD2-CD2 4.36Å; T182-Y185 PolarHBondContact O-N 2.96Å; T183-Y185 VanDerWaalsContact C-N 3.32Å; T183-Y185 PolarHBondContact O-N 2.89Å; Y185-I189 WeakPolarHBondContact O-CB 3.27Å; Y185-I189 VanDerWaalsContact O-CD1 3.28Å; Y185-I189 WeakPolarHBondContact O-CD1 3.2Å; Y185-I189 WeakPolarHBondContact O-CG1 3.35Å; Y185-I189 PolarHBondContact O-N 3.07Å |
| 186 | V | 87.2 | Confident | 82 | Confident | 13 Ų | 13 | 58 Ų | 58 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -43.1 | 172.4 | 177 | 0 | 0 | 0 | 0 | 109.9 | L160 T182 T183 I189 V190 | L160-V186 HydrophobicContact CD2-CG1 3.51Å; T182-V186 PolarHBondContact O-N 2.53Å; T183-V186 PolarHBondContact O-N 2.74Å; T183-V186 VanDerWaalsContact O-N 3.12Å; V186-I189 PolarHBondContact O-N 3.01Å; V186-V190 HydrophobicContact CG1-CG2 4.3Å; V186-V190 WeakPolarHBondContact O-CB 3.49Å; V186-V190 VanDerWaalsContact O-CG2 3.22Å; V186-V190 WeakPolarHBondContact O-CG2 3.43Å; V186-V190 PolarHBondContact O-N 3.36Å |
| 187 | D | 89.1 | Confident | 84.2 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 53% | 0.529 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.9 | -43.4 | 176.7 | -67.8 | -27.8 | 0 | 0 | 0 | 111.7 | T183 I189 V190 W191 | T183-D187 PolarHBondContact O-N 2.7Å; D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 3.3Å; D187-V190 PolarHBondContact O-N 2.77Å; D187-W191 VanDerWaalsContact O-CB 3.29Å; D187-W191 WeakPolarHBondContact O-CB 3.23Å; D187-W191 PolarHBondContact O-N 3.24Å |
| 188 | D | 90.3 | Very high | 86 | Confident | 83 Ų | 83 | 61.3 Ų | 61.3 | 44% | 0.444 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57 | -39.1 | 171.1 | -93 | -11.8 | 0 | 0 | 0 | 112.5 | I139 E184 G192 | I139-D188 HydrophobicContact CD1-CB 4.13Å; I139-D188 HydrophobicContact CG2-CB 4.03Å; E184-D188 PolarHBondContact O-N 2.85Å; E184-D188 VanDerWaalsContact O-N 3.11Å; D188-G192 PolarHBondContact O-N 2.96Å |
| 189 | I | 91.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 179.7 | -71.3 | 165 | 0 | 0 | 0 | 111.3 | I139 Q142 L146 W163 Y185 V186 D187 G192 Y193 | I139-I189 HydrophobicContact CB-CG1 4.11Å; I139-I189 HydrophobicContact CG1-CD1 4.37Å; I139-I189 HydrophobicContact CG1-CG1 4.08Å; I139-I189 HydrophobicContact CG2-CG1 3.88Å; Q142-I189 HydrophobicContact CB-CD1 3.83Å; Q142-I189 HydrophobicContact CB-CG1 4.11Å; Q142-I189 HydrophobicContact CB-CG2 3.97Å; Q142-I189 HydrophobicContact CG-CD1 4.21Å; L146-I189 HydrophobicContact CD1-CG2 3.75Å; W163-I189 HydrophobicContact CE3-CG2 4.39Å; W163-I189 HydrophobicContact CH2-CD1 3.69Å; W163-I189 HydrophobicContact CH2-CG2 4.03Å; W163-I189 HydrophobicContact CZ2-CD1 4.02Å; W163-I189 HydrophobicContact CZ3-CG2 3.78Å; Y185-I189 WeakPolarHBondContact O-CB 3.27Å; Y185-I189 VanDerWaalsContact O-CD1 3.28Å; Y185-I189 WeakPolarHBondContact O-CD1 3.2Å; Y185-I189 WeakPolarHBondContact O-CG1 3.35Å; Y185-I189 PolarHBondContact O-N 3.07Å; V186-I189 PolarHBondContact O-N 3.01Å; D187-I189 VanDerWaalsContact C-N 3.29Å; D187-I189 PolarHBondContact O-N 3.3Å; I189-G192 PolarHBondContact O-N 3.04Å; I189-Y193 VanDerWaalsContact O-CB 3.25Å; I189-Y193 WeakPolarHBondContact O-CB 3.27Å; I189-Y193 PolarHBondContact O-N 3.36Å |
| 190 | V | 91.8 | Very high | 88.6 | Confident | 13 Ų | 13 | 59.6 Ų | 59.6 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 173.8 | 170.7 | 0 | 0 | 0 | 0 | 110.3 | F153 I156 T159 V186 D187 Y193 S194 | F153-V190 HydrophobicContact CE2-CG1 3.93Å; I156-V190 HydrophobicContact CG1-CG1 4.25Å; T159-V190 HydrophobicContact CG2-CG2 3.82Å; V186-V190 HydrophobicContact CG1-CG2 4.3Å; V186-V190 WeakPolarHBondContact O-CB 3.49Å; V186-V190 VanDerWaalsContact O-CG2 3.22Å; V186-V190 WeakPolarHBondContact O-CG2 3.43Å; V186-V190 PolarHBondContact O-N 3.36Å; D187-V190 PolarHBondContact O-N 2.77Å; V190-Y193 PolarHBondContact O-N 2.94Å; V190-S194 PolarHBondContact O-N 2.76Å |
| 191 | W | 92.7 | Very high | 89.6 | Confident | 163 Ų | 163 | 63.9 Ų | 63.9 | 62% | 0.617 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.6 | -44.4 | 174.5 | -174.1 | 95.1 | 0 | 0 | 0 | 111.6 | D187 Y193 S194 H195 | D187-W191 VanDerWaalsContact O-CB 3.29Å; D187-W191 WeakPolarHBondContact O-CB 3.23Å; D187-W191 PolarHBondContact O-N 3.24Å; W191-Y193 VanDerWaalsContact C-N 3.26Å; W191-Y193 PolarHBondContact O-N 3.29Å; W191-S194 PolarHBondContact O-N 2.76Å; W191-S194 PolarHBondContact O-OG 2.93Å; W191-H195 AromaticContact CD2-CE1 3.72Å; W191-H195 AromaticContact CD2-ND1 3.76Å; W191-H195 AromaticContact CE2-CE1 3.23Å; W191-H195 AromaticContact CE2-ND1 3.76Å; W191-H195 AromaticContact CE2-NE2 3.93Å; W191-H195 AromaticContact CH2-CE1 3.98Å; W191-H195 AromaticContact CZ2-CE1 3.39Å; W191-H195 WeakPolarHBondContact CZ2-CE1 3.38Å; W191-H195 AromaticContact CZ2-NE2 3.61Å; W191-H195 AromaticContact NE1-CE1 3.47Å; W191-H195 PolarHBondContact NE1-CE1 3.14Å; W191-H195 PolarHBondContact O-N 3.16Å; W191-H195 PolarHBondContact O-ND1 3.25Å |
| 192 | G | 93 | Very high | 90.6 | Very high | 18 Ų | 18 | 65.5 Ų | 65.5 | 19% | 0.186 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.3 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D188 I189 L196 | D188-G192 PolarHBondContact O-N 2.96Å; I189-G192 PolarHBondContact O-N 3.04Å; G192-L196 WeakPolarHBondContact O-CG 3.12Å |
| 193 | Y | 94.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -76.1 | -40.6 | 178.1 | 175.4 | -145.2 | 0 | 0 | 0 | 112.5 | L146 Q147 G151 D152 F153 T159 I189 V190 W191 H195 L196 | L146-Y193 HydrophobicContact CB-CD1 3.74Å; L146-Y193 HydrophobicContact CB-CD2 3.68Å; L146-Y193 HydrophobicContact CB-CE1 3.85Å; L146-Y193 HydrophobicContact CB-CE2 3.81Å; L146-Y193 HydrophobicContact CB-CG 3.65Å; L146-Y193 HydrophobicContact CD1-CD1 3.61Å; L146-Y193 HydrophobicContact CD1-CE1 4.26Å; L146-Y193 HydrophobicContact CD1-CG 3.88Å; L146-Y193 HydrophobicContact CD2-CE1 4.49Å; L146-Y193 HydrophobicContact CG-CD1 4.17Å; L146-Y193 HydrophobicContact CG-CE1 4.42Å; L146-Y193 HydrophobicContact CG-CG 4.39Å; Q147-Y193 HydrophobicContact CB-CD2 4.18Å; Q147-Y193 HydrophobicContact CB-CE2 4.05Å; Q147-Y193 VanDerWaalsContact OE1-CE2 3.22Å; G151-Y193 VanDerWaalsContact O-CE2 3.25Å; G151-Y193 WeakPolarHBondContact O-CE2 3.45Å; G151-Y193 PolarHBondContact O-OH 3.33Å; D152-Y193 PolarHBondContact O-OH 2.92Å; F153-Y193 HydrophobicContact CB-CD1 4.11Å; F153-Y193 HydrophobicContact CB-CD2 4.32Å; F153-Y193 HydrophobicContact CB-CE1 3.99Å; F153-Y193 HydrophobicContact CB-CE2 4.17Å; F153-Y193 HydrophobicContact CB-CG 4.28Å; F153-Y193 AromaticContact CD2-CD1 3.7Å; F153-Y193 HydrophobicContact CD2-CD1 3.7Å; F153-Y193 AromaticContact CD2-CE1 3.89Å; F153-Y193 HydrophobicContact CD2-CE1 3.89Å; F153-Y193 HydrophobicContact CD2-CG 4.42Å; F153-Y193 HydrophobicContact CG-CD1 4.39Å; F153-Y193 HydrophobicContact CG-CE1 4.45Å; T159-Y193 HydrophobicContact CG2-CD1 3.63Å; T159-Y193 HydrophobicContact CG2-CE1 3.85Å; I189-Y193 VanDerWaalsContact O-CB 3.25Å; I189-Y193 WeakPolarHBondContact O-CB 3.27Å; I189-Y193 PolarHBondContact O-N 3.36Å; V190-Y193 PolarHBondContact O-N 2.94Å; W191-Y193 VanDerWaalsContact C-N 3.26Å; W191-Y193 PolarHBondContact O-N 3.29Å; Y193-H195 PolarHBondContact O-N 3.3Å; Y193-L196 WeakPolarHBondContact O-CB 3.23Å; Y193-L196 PolarHBondContact O-N 3.06Å |
| 194 | S | 93.7 | Very high | 92.2 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 26% | 0.259 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -28.1 | 176.4 | 66.5 | 0 | 0 | 0 | 0 | 113.1 | V190 W191 L196 Q197 | V190-S194 PolarHBondContact O-N 2.76Å; W191-S194 PolarHBondContact O-N 2.76Å; W191-S194 PolarHBondContact O-OG 2.93Å; S194-L196 PolarHBondContact O-N 3.01Å; S194-Q197 PolarHBondContact O-N 2.8Å |
| 195 | H | 93.5 | Very high | 92.8 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 56% | 0.556 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 1.8 | 173.1 | -71.7 | 75.3 | 0 | 0 | 0 | 114.6 | W191 Y193 | W191-H195 AromaticContact CD2-CE1 3.72Å; W191-H195 AromaticContact CD2-ND1 3.76Å; W191-H195 AromaticContact CE2-CE1 3.23Å; W191-H195 AromaticContact CE2-ND1 3.76Å; W191-H195 AromaticContact CE2-NE2 3.93Å; W191-H195 AromaticContact CH2-CE1 3.98Å; W191-H195 AromaticContact CZ2-CE1 3.39Å; W191-H195 WeakPolarHBondContact CZ2-CE1 3.38Å; W191-H195 AromaticContact CZ2-NE2 3.61Å; W191-H195 AromaticContact NE1-CE1 3.47Å; W191-H195 PolarHBondContact NE1-CE1 3.14Å; W191-H195 PolarHBondContact O-N 3.16Å; W191-H195 PolarHBondContact O-ND1 3.25Å; Y193-H195 PolarHBondContact O-N 3.3Å |
| 196 | L | 94.6 | Very high | 93.3 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 7.2 | 175.2 | -61.9 | 173.8 | 0 | 0 | 0 | 113.5 | A143 Y144 Q147 G192 Y193 S194 G198 V199 | A143-L196 HydrophobicContact CB-CD1 4.13Å; Y144-L196 HydrophobicContact CD1-CD1 3.57Å; Y144-L196 HydrophobicContact CD1-CD2 3.95Å; Y144-L196 HydrophobicContact CD1-CG 4.44Å; Y144-L196 HydrophobicContact CE1-CD1 4.02Å; Y144-L196 HydrophobicContact CE1-CD2 3.54Å; Y144-L196 HydrophobicContact CE1-CG 4.46Å; Y144-L196 HydrophobicContact CG-CD1 4.34Å; Q147-L196 HydrophobicContact CB-CB 4.28Å; Q147-L196 HydrophobicContact CB-CD1 4.08Å; Q147-L196 HydrophobicContact CG-CB 4.04Å; Q147-L196 PolarHBondContact NE2-O 3.25Å; Q147-L196 PolarHBondContact OE1-O 2.75Å; G192-L196 WeakPolarHBondContact O-CG 3.12Å; Y193-L196 WeakPolarHBondContact O-CB 3.23Å; Y193-L196 PolarHBondContact O-N 3.06Å; S194-L196 PolarHBondContact O-N 3.01Å; L196-G198 PolarHBondContact O-N 3.26Å; L196-V199 HydrophobicContact CB-CG2 4.45Å; L196-V199 HydrophobicContact CD2-CG2 4.45Å; L196-V199 WeakPolarHBondContact O-CB 3.34Å; L196-V199 VanDerWaalsContact O-CG2 3.28Å; L196-V199 WeakPolarHBondContact O-CG2 3.23Å; L196-V199 PolarHBondContact O-N 2.74Å |
| 197 | Q | 93.2 | Very high | 93.7 | Very high | 138 Ų | 138 | 60.1 Ų | 60.1 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 130.1 | 177.8 | -169.1 | 173.1 | 40 | 0 | 0 | 111.7 | D152 S194 | D152-Q197 HydrophobicContact CB-CG 4.3Å; D152-Q197 WeakPolarHBondContact OD1-CA 3.3Å; S194-Q197 PolarHBondContact O-N 2.8Å |
| 198 | G | 92.9 | Very high | 94.1 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -7.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D152 L196 S200 | D152-G198 PolarHBondContact OD1-N 3.34Å; L196-G198 PolarHBondContact O-N 3.26Å; G198-S200 PolarHBondContact O-N 2.75Å |
| 199 | V | 94.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | trans | -82.7 | 113.4 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 110 | Q147 L196 N203 A204 Y207 | Q147-V199 HydrophobicContact CG-CB 4.16Å; Q147-V199 HydrophobicContact CG-CG1 4.4Å; Q147-V199 WeakPolarHBondContact CG-O 3.31Å; Q147-V199 PolarHBondContact NE2-O 3.38Å; L196-V199 HydrophobicContact CB-CG2 4.45Å; L196-V199 HydrophobicContact CD2-CG2 4.45Å; L196-V199 WeakPolarHBondContact O-CB 3.34Å; L196-V199 VanDerWaalsContact O-CG2 3.28Å; L196-V199 WeakPolarHBondContact O-CG2 3.23Å; L196-V199 PolarHBondContact O-N 2.74Å; V199-N203 HydrophobicContact CG1-CB 3.76Å; V199-A204 HydrophobicContact CG1-CB 4.11Å; V199-Y207 HydrophobicContact CG1-CD2 3.97Å; V199-Y207 HydrophobicContact CG1-CE2 3.73Å; V199-Y207 HydrophobicContact CG2-CE2 4.37Å | ||
| 200 | S | 94.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 53.3 Ų | 53.3 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | trans | -57.2 | 152.9 | 177 | 72 | 0 | 0 | 0 | 0 | 112.5 | G198 D202 N203 A204 | G198-S200 PolarHBondContact O-N 2.75Å; S200-D202 PolarHBondContact O-N 2.59Å; S200-N203 CarbonylContact O-C 3.57Å; S200-N203 WeakPolarHBondContact O-CA 3.45Å; S200-N203 PolarHBondContact O-N 2.9Å; S200-N203 WeakPolarHBondContact OG-CB 3.41Å; S200-N203 PolarHBondContact OG-N 2.96Å; S200-A204 PolarHBondContact O-N 2.71Å | ||
| 201 | Q | 94.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 44% | 0.439 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.8 | -38.9 | 179.8 | -66 | -173.9 | -18.9 | 0 | 0 | 112.4 | E149 A204 I205 | E149-Q201 PolarHBondContact O-NE2 3.12Å; Q201-A204 PolarHBondContact O-N 3.05Å; Q201-I205 WeakPolarHBondContact O-CB 3.27Å; Q201-I205 VanDerWaalsContact O-CG1 3.31Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 3.1Å |
| 202 | D | 93.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 47.6 Ų | 47.6 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.6 | -34.4 | 175.2 | -76.1 | -41.6 | 0 | 0 | 0 | 113.2 | S200 W206 | S200-D202 PolarHBondContact O-N 2.59Å; D202-W206 WeakPolarHBondContact O-CB 3.34Å; D202-W206 PolarHBondContact O-N 3.45Å |
| 203 | N | 95 | Very high | 94.8 | Very high | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -74.5 | -36.4 | 174.7 | -71.6 | -0.8 | 0 | 0 | 0 | 111.3 | V199 S200 I205 W206 Y207 | V199-N203 HydrophobicContact CG1-CB 3.76Å; S200-N203 CarbonylContact O-C 3.57Å; S200-N203 WeakPolarHBondContact O-CA 3.45Å; S200-N203 PolarHBondContact O-N 2.9Å; S200-N203 WeakPolarHBondContact OG-CB 3.41Å; S200-N203 PolarHBondContact OG-N 2.96Å; N203-I205 VanDerWaalsContact C-N 3.34Å; N203-W206 WeakPolarHBondContact O-CA 3.42Å; N203-W206 WeakPolarHBondContact O-CB 3.48Å; N203-W206 PolarHBondContact O-N 3.13Å; N203-W206 VanDerWaalsContact O-N 3.13Å; N203-Y207 HydrophobicContact CB-CE2 4.25Å; N203-Y207 WeakPolarHBondContact O-CD2 3.36Å; N203-Y207 PolarHBondContact O-N 3.48Å |
| 204 | A | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q147 A148 V199 S200 Q201 F208 | Q147-A204 HydrophobicContact CB-CB 3.78Å; Q147-A204 HydrophobicContact CG-CB 3.71Å; A148-A204 HydrophobicContact CB-CB 3.87Å; V199-A204 HydrophobicContact CG1-CB 4.11Å; S200-A204 PolarHBondContact O-N 2.71Å; Q201-A204 PolarHBondContact O-N 3.05Å; A204-F208 VanDerWaalsContact O-CB 3.32Å; A204-F208 WeakPolarHBondContact O-CB 3.29Å; A204-F208 PolarHBondContact O-N 3.01Å |
| 205 | I | 96.4 | Very high | 94.5 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 168.7 | -73.4 | 171.6 | 0 | 0 | 0 | 110.7 | R115 R116 Y119 A148 Q201 N203 F208 L209 | R115-I205 HydrophobicContact CG-CG2 3.98Å; R116-I205 HydrophobicContact CB-CD1 4.35Å; R116-I205 HydrophobicContact CG-CD1 4.2Å; Y119-I205 HydrophobicContact CD1-CD1 4Å; Y119-I205 HydrophobicContact CD1-CG1 3.76Å; Y119-I205 HydrophobicContact CE1-CD1 4.39Å; Y119-I205 HydrophobicContact CE1-CG1 4.1Å; Y119-I205 HydrophobicContact CG-CG1 4.06Å; A148-I205 HydrophobicContact CB-CG1 3.82Å; Q201-I205 WeakPolarHBondContact O-CB 3.27Å; Q201-I205 VanDerWaalsContact O-CG1 3.31Å; Q201-I205 WeakPolarHBondContact O-CG1 3.29Å; Q201-I205 PolarHBondContact O-N 3.1Å; N203-I205 VanDerWaalsContact C-N 3.34Å; I205-F208 PolarHBondContact O-N 2.88Å; I205-L209 HydrophobicContact CG2-CD1 3.86Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 VanDerWaalsContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.24Å; I205-L209 PolarHBondContact O-N 2.95Å |
| 206 | W | 96.1 | Very high | 94.1 | Very high | 66 Ų | 66 | 55.2 Ų | 55.2 | 25% | 0.25 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -49.7 | 177.8 | -168.1 | 104.7 | 0 | 0 | 0 | 111.5 | Q107 F108 D202 N203 L209 D210 | Q107-W206 HydrophobicContact CB-CD2 4.08Å; Q107-W206 HydrophobicContact CB-CG 3.9Å; Q107-W206 HydrophobicContact CG-CD2 4.02Å; Q107-W206 VanDerWaalsContact CG-CE2 3.45Å; Q107-W206 HydrophobicContact CG-CG 4.32Å; Q107-W206 HydrophobicContact CG-CH2 4.44Å; Q107-W206 HydrophobicContact CG-CZ2 3.71Å; F108-W206 AromaticContact CE1-CZ2 3.85Å; F108-W206 HydrophobicContact CE1-CZ2 3.85Å; F108-W206 AromaticContact CE1-NE1 3.9Å; F108-W206 HydrophobicContact CZ-CZ2 4.08Å; D202-W206 WeakPolarHBondContact O-CB 3.34Å; D202-W206 PolarHBondContact O-N 3.45Å; N203-W206 WeakPolarHBondContact O-CA 3.42Å; N203-W206 WeakPolarHBondContact O-CB 3.48Å; N203-W206 PolarHBondContact O-N 3.13Å; N203-W206 VanDerWaalsContact O-N 3.13Å; W206-L209 PolarHBondContact O-N 3.4Å; W206-D210 HydrophobicContact CE3-CB 4.19Å; W206-D210 HydrophobicContact CH2-CB 4.28Å; W206-D210 HydrophobicContact CZ3-CB 3.85Å; W206-D210 PolarHBondContact O-N 3.23Å |
| 207 | Y | 96.2 | Very high | 93.8 | Very high | 91 Ų | 91 | 57.1 Ų | 57.1 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 178.4 | -62.8 | -50.8 | 0 | 0 | 0 | 112.6 | Y144 V199 N203 L209 D210 E211 | Y144-Y207 HydrophobicContact CD1-CD2 4.4Å; Y144-Y207 AromaticContact CE1-CD2 3.9Å; Y144-Y207 HydrophobicContact CE1-CD2 3.9Å; Y144-Y207 AromaticContact CE1-CG 3.97Å; Y144-Y207 HydrophobicContact CE1-CG 3.97Å; V199-Y207 HydrophobicContact CG1-CD2 3.97Å; V199-Y207 HydrophobicContact CG1-CE2 3.73Å; V199-Y207 HydrophobicContact CG2-CE2 4.37Å; N203-Y207 HydrophobicContact CB-CE2 4.25Å; N203-Y207 WeakPolarHBondContact O-CD2 3.36Å; N203-Y207 PolarHBondContact O-N 3.48Å; Y207-L209 VanDerWaalsContact C-N 3.26Å; Y207-L209 PolarHBondContact O-N 3.28Å; Y207-D210 PolarHBondContact O-N 2.81Å; Y207-E211 WeakPolarHBondContact O-CG 3.35Å; Y207-E211 PolarHBondContact O-N 2.85Å |
| 208 | F | 97.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.4 | -43.8 | 173.6 | -176.4 | -75.5 | 0 | 0 | 0 | 111.2 | Y119 L122 R123 L141 A204 I205 I212 | Y119-F208 HydrophobicContact CD2-CB 4.39Å; Y119-F208 AromaticContact CD2-CD1 3.61Å; Y119-F208 HydrophobicContact CD2-CD1 3.61Å; Y119-F208 HydrophobicContact CD2-CD2 4.13Å; Y119-F208 AromaticContact CD2-CE1 3.84Å; Y119-F208 HydrophobicContact CD2-CE1 3.84Å; Y119-F208 HydrophobicContact CD2-CE2 4.33Å; Y119-F208 AromaticContact CD2-CG 3.79Å; Y119-F208 HydrophobicContact CD2-CG 3.79Å; Y119-F208 HydrophobicContact CD2-CZ 4.21Å; Y119-F208 HydrophobicContact CE2-CD1 4.22Å; Y119-F208 AromaticContact CE2-CD2 3.9Å; Y119-F208 HydrophobicContact CE2-CD2 3.9Å; Y119-F208 HydrophobicContact CE2-CE1 4.36Å; Y119-F208 HydrophobicContact CE2-CE2 4.04Å; Y119-F208 HydrophobicContact CE2-CG 4.01Å; Y119-F208 HydrophobicContact CE2-CZ 4.29Å; L122-F208 HydrophobicContact CB-CE1 4.07Å; R123-F208 HydrophobicContact CB-CE1 4.45Å; R123-F208 HydrophobicContact CB-CE2 4.39Å; R123-F208 HydrophobicContact CB-CZ 3.78Å; R123-F208 HydrophobicContact CG-CE2 4.48Å; R123-F208 HydrophobicContact CG-CZ 4.29Å; L141-F208 HydrophobicContact CB-CD2 4.18Å; L141-F208 HydrophobicContact CB-CE2 3.81Å; L141-F208 HydrophobicContact CD2-CD1 4.26Å; L141-F208 HydrophobicContact CD2-CD2 3.68Å; L141-F208 HydrophobicContact CD2-CE1 4.34Å; L141-F208 HydrophobicContact CD2-CE2 3.78Å; L141-F208 HydrophobicContact CD2-CG 3.92Å; L141-F208 HydrophobicContact CD2-CZ 4.09Å; L141-F208 HydrophobicContact CG-CE2 4.32Å; L141-F208 WeakPolarHBondContact O-CD2 3.33Å; L141-F208 WeakPolarHBondContact O-CE2 3.43Å; A204-F208 VanDerWaalsContact O-CB 3.32Å; A204-F208 WeakPolarHBondContact O-CB 3.29Å; A204-F208 PolarHBondContact O-N 3.01Å; I205-F208 PolarHBondContact O-N 2.88Å; F208-I212 HydrophobicContact CD1-CG2 4.32Å; F208-I212 HydrophobicContact CE1-CD1 3.77Å; F208-I212 HydrophobicContact CE1-CG2 4.31Å; F208-I212 HydrophobicContact CZ-CD1 4.02Å; F208-I212 WeakPolarHBondContact O-CB 3.39Å; F208-I212 WeakPolarHBondContact O-CG2 3.35Å; F208-I212 PolarHBondContact O-N 2.7Å; F208-I212 VanDerWaalsContact O-N 3.17Å |
| 209 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -70.6 | -33 | 179.9 | -74.6 | 177.2 | 0 | 0 | 0 | 113.2 | P106 Q107 R115 F118 L122 I205 W206 Y207 R213 | P106-L209 HydrophobicContact CB-CD1 4.38Å; P106-L209 HydrophobicContact CB-CD2 4.13Å; P106-L209 HydrophobicContact CG-CB 4.14Å; P106-L209 HydrophobicContact CG-CD2 4.18Å; Q107-L209 HydrophobicContact CB-CB 4.06Å; R115-L209 HydrophobicContact CG-CD1 3.47Å; R115-L209 VanDerWaalsContact CG-CD1 3.47Å; F118-L209 HydrophobicContact CB-CD2 4.06Å; L122-L209 HydrophobicContact CD1-CD2 3.47Å; L122-L209 VanDerWaalsContact CD1-CD2 3.47Å; I205-L209 HydrophobicContact CG2-CD1 3.86Å; I205-L209 HydrophobicContact CG2-CG 4.44Å; I205-L209 VanDerWaalsContact O-CB 3.32Å; I205-L209 WeakPolarHBondContact O-CB 3.36Å; I205-L209 WeakPolarHBondContact O-CG 3.24Å; I205-L209 PolarHBondContact O-N 2.95Å; W206-L209 PolarHBondContact O-N 3.4Å; Y207-L209 VanDerWaalsContact C-N 3.26Å; Y207-L209 PolarHBondContact O-N 3.28Å; L209-R213 WeakPolarHBondContact O-CD 3.4Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.22Å |
| 210 | D | 95.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.9 | -31.3 | 178.5 | -159.1 | 45.3 | 0 | 0 | 0 | 112.9 | Q107 W206 Y207 R213 H214 | Q107-D210 HydrophobicContact CG-CB 4.48Å; Q107-D210 PolarHBondContact NE2-OD1 3.39Å; W206-D210 HydrophobicContact CE3-CB 4.19Å; W206-D210 HydrophobicContact CH2-CB 4.28Å; W206-D210 HydrophobicContact CZ3-CB 3.85Å; W206-D210 PolarHBondContact O-N 3.23Å; Y207-D210 PolarHBondContact O-N 2.81Å; D210-R213 WeakPolarHBondContact O-CG 3Å; D210-R213 VanDerWaalsContact OD1-CD 3.3Å; D210-R213 WeakPolarHBondContact OD1-CD 3.31Å; D210-R213 IonicContact OD1-CZ 3.2Å; D210-R213 IonicContact OD1-NE 3.57Å; D210-R213 IonicContact OD1-NH1 3.34Å; D210-R213 PolarHBondContact OD1-NH1 3.49Å; D210-H214 PolarHBondContact O-CD2 3.47Å; D210-H214 PolarHBondContact O-NE2 3.44Å |
| 211 | E | 94.7 | Very high | 93.1 | Very high | 56 Ų | 56 | 50.5 Ų | 50.5 | 26% | 0.262 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -71.7 | -47 | 171.5 | -65.7 | -76.4 | 135.6 | 0 | 0 | 112.2 | L137 K140 L141 Y144 Y207 R213 H214 | L137-E211 HydrophobicContact CD1-CB 4.08Å; K140-E211 WeakPolarHBondContact CD-OE2 3.37Å; K140-E211 WeakPolarHBondContact CE-OE2 3.35Å; K140-E211 IonicContact NZ-OE1 2.78Å; K140-E211 PolarHBondContact NZ-OE1 3.43Å; K140-E211 IonicContact NZ-OE2 2.7Å; K140-E211 PolarHBondContact NZ-OE2 3.06Å; L141-E211 HydrophobicContact CD2-CB 4.15Å; Y144-E211 HydrophobicContact CE2-CG 3.95Å; Y207-E211 WeakPolarHBondContact O-CG 3.35Å; Y207-E211 PolarHBondContact O-N 2.85Å; E211-R213 VanDerWaalsContact C-N 3.35Å; E211-R213 PolarHBondContact O-N 2.93Å; E211-H214 PolarHBondContact O-N 3.46Å |
| 212 | I | 94 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.5 | -24.8 | -168.6 | -161.4 | 157.3 | 0 | 0 | 0 | 113.8 | L122 V126 L131 L141 F208 H214 N215 | L122-I212 HydrophobicContact CB-CD1 3.98Å; L122-I212 HydrophobicContact CD1-CG2 3.99Å; V126-I212 HydrophobicContact CG2-CD1 3.66Å; L131-I212 HydrophobicContact CD2-CD1 3.74Å; L131-I212 HydrophobicContact CD2-CG1 3.58Å; L141-I212 HydrophobicContact CD1-CD1 4.03Å; L141-I212 HydrophobicContact CD1-CG1 4.39Å; L141-I212 HydrophobicContact CD2-CB 4.16Å; F208-I212 HydrophobicContact CD1-CG2 4.32Å; F208-I212 HydrophobicContact CE1-CD1 3.77Å; F208-I212 HydrophobicContact CE1-CG2 4.31Å; F208-I212 HydrophobicContact CZ-CD1 4.02Å; F208-I212 WeakPolarHBondContact O-CB 3.39Å; F208-I212 WeakPolarHBondContact O-CG2 3.35Å; F208-I212 PolarHBondContact O-N 2.7Å; F208-I212 VanDerWaalsContact O-N 3.17Å; I212-H214 PolarHBondContact O-N 3.47Å; I212-N215 VanDerWaalsContact O-CB 3.23Å; I212-N215 WeakPolarHBondContact O-CB 3.44Å; I212-N215 PolarHBondContact O-N 3.4Å |
| 213 | R | 92.6 | Very high | 92.8 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 25% | 0.245 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -19.3 | 174.8 | 61.8 | -176.6 | -68.7 | -122.3 | -4 | 113.9 | D104 N105 P106 Q107 L209 D210 E211 N215 Y218 | D104-R213 PolarHBondContact O-NE 2.87Å; D104-R213 PolarHBondContact O-NH2 2.86Å; N105-R213 PolarHBondContact OD1-NH2 3.41Å; P106-R213 HydrophobicContact CG-CB 4.5Å; Q107-R213 VanDerWaalsContact NE2-NH1 3.19Å; L209-R213 WeakPolarHBondContact O-CD 3.4Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.22Å; D210-R213 WeakPolarHBondContact O-CG 3Å; D210-R213 VanDerWaalsContact OD1-CD 3.3Å; D210-R213 WeakPolarHBondContact OD1-CD 3.31Å; D210-R213 IonicContact OD1-CZ 3.2Å; D210-R213 IonicContact OD1-NE 3.57Å; D210-R213 IonicContact OD1-NH1 3.34Å; D210-R213 PolarHBondContact OD1-NH1 3.49Å; E211-R213 VanDerWaalsContact C-N 3.35Å; E211-R213 PolarHBondContact O-N 2.93Å; R213-N215 PolarHBondContact O-N 2.93Å; R213-Y218 HydrophobicContact CB-CD1 4.43Å; R213-Y218 HydrophobicContact CB-CD2 4.38Å; R213-Y218 HydrophobicContact CB-CE1 4.42Å; R213-Y218 HydrophobicContact CB-CE2 4.36Å; R213-Y218 HydrophobicContact CB-CG 4.43Å |
| 214 | H | 90.9 | Very high | 92.6 | Very high | 137 Ų | 137 | 47.1 Ų | 47.1 | 63% | 0.634 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.6 | 174.5 | -67.3 | -60.7 | 0 | 0 | 0 | 113.2 | D210 E211 I212 | D210-H214 PolarHBondContact O-CD2 3.47Å; D210-H214 PolarHBondContact O-NE2 3.44Å; E211-H214 PolarHBondContact O-N 3.46Å; I212-H214 PolarHBondContact O-N 3.47Å |
| 215 | N | 89.8 | Confident | 92.3 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -68.7 | 129.3 | 174.1 | -170.5 | -55.2 | 0 | 0 | 0 | 110.6 | L131 P132 I212 R213 L217 Y218 | L131-N215 HydrophobicContact CD1-CB 4.41Å; L131-N215 HydrophobicContact CD2-CB 4.46Å; P132-N215 PolarHBondContact O-ND2 2.85Å; I212-N215 VanDerWaalsContact O-CB 3.23Å; I212-N215 WeakPolarHBondContact O-CB 3.44Å; I212-N215 PolarHBondContact O-N 3.4Å; R213-N215 PolarHBondContact O-N 2.93Å; N215-L217 PolarHBondContact O-N 3.03Å; N215-L217 VanDerWaalsContact O-N 3.07Å; N215-L217 PolarHBondContact OD1-N 3.02Å; N215-Y218 WeakPolarHBondContact O-CB 3.43Å; N215-Y218 PolarHBondContact O-N 3.29Å |
| 216 | P | 86.4 | Confident | 92 | Very high | 119 Ų | 119 | 49.9 Ų | 49.9 | 77% | 0.773 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -16.3 | -177 | 26 | -35.8 | 0 | 0 | 0 | 114.7 | ||
| 217 | L | 87.6 | Confident | 91.6 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 5.5 | 174.9 | -66.7 | 172.7 | 0 | 0 | 0 | 113.2 | L131 P132 N215 G219 V220 T222 | L131-L217 HydrophobicContact CD1-CB 3.8Å; P132-L217 HydrophobicContact CG-CD1 3.68Å; N215-L217 PolarHBondContact O-N 3.03Å; N215-L217 VanDerWaalsContact O-N 3.07Å; N215-L217 PolarHBondContact OD1-N 3.02Å; L217-G219 PolarHBondContact O-N 3.25Å; L217-V220 HydrophobicContact CD2-CB 4.45Å; L217-V220 HydrophobicContact CD2-CG1 4.49Å; L217-V220 PolarHBondContact O-N 3.25Å; L217-V220 VanDerWaalsContact O-N 3.1Å; L217-T222 HydrophobicContact CD2-CG2 4.26Å |
| 218 | Y | 92.1 | Very high | 90.9 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 11% | 0.11 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 121.4 | 174.8 | 170.4 | -95.2 | 0 | 0 | 0 | 111.3 | F102 I103 P106 L122 R213 N215 V220 | F102-Y218 HydrophobicContact CB-CE1 4.25Å; F102-Y218 HydrophobicContact CD1-CE2 4.14Å; I103-Y218 VanDerWaalsContact O-CE1 3.25Å; I103-Y218 WeakPolarHBondContact O-CE1 3.44Å; I103-Y218 PolarHBondContact O-OH 3.46Å; P106-Y218 HydrophobicContact CG-CE2 4.46Å; P106-Y218 WeakPolarHBondContact CG-OH 3.12Å; L122-Y218 HydrophobicContact CD1-CE2 3.83Å; L122-Y218 HydrophobicContact CD2-CD2 3.8Å; L122-Y218 HydrophobicContact CD2-CE2 3.72Å; L122-Y218 HydrophobicContact CG-CE2 4.44Å; R213-Y218 HydrophobicContact CB-CD1 4.43Å; R213-Y218 HydrophobicContact CB-CD2 4.38Å; R213-Y218 HydrophobicContact CB-CE1 4.42Å; R213-Y218 HydrophobicContact CB-CE2 4.36Å; R213-Y218 HydrophobicContact CB-CG 4.43Å; N215-Y218 WeakPolarHBondContact O-CB 3.43Å; N215-Y218 PolarHBondContact O-N 3.29Å; Y218-V220 PolarHBondContact O-N 2.89Å; Y218-V220 VanDerWaalsContact O-N 3.17Å |
| 219 | G | 89.4 | Confident | 90.2 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 10.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L217 | L217-G219 PolarHBondContact O-N 3.25Š|
| 220 | V | 90.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | trans | -96.5 | 117.6 | 178 | -174.3 | 0 | 0 | 0 | 0 | 109.5 | L217 Y218 T222 | L217-V220 HydrophobicContact CD2-CB 4.45Å; L217-V220 HydrophobicContact CD2-CG1 4.49Å; L217-V220 PolarHBondContact O-N 3.25Å; L217-V220 VanDerWaalsContact O-N 3.1Å; Y218-V220 PolarHBondContact O-N 2.89Å; Y218-V220 VanDerWaalsContact O-N 3.17Å; V220-T222 HydrophobicContact CG1-CG2 3.89Å | ||
| 221 | R | 89.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -95.1 | 112.8 | 167.5 | -173.7 | 179 | -176.8 | 124.6 | 10.4 | 109.5 | Q73 F223 V237 F299 | Q73-R221 PolarHBondContact O-NH1 2.72Å; Q73-R221 PolarHBondContact O-NH2 3.46Å; R221-F223 HydrophobicContact CB-CE2 4.37Å; R221-F223 HydrophobicContact CG-CE2 3.82Å; R221-F223 HydrophobicContact CG-CZ 4.08Å; R221-F223 WeakPolarHBondContact O-CD2 3.33Å; R221-V237 PolarHBondContact N-O 2.71Å; R221-V237 PolarHBondContact O-N 3.32Å; R221-F299 HydrophobicContact CB-CE1 4.05Å; R221-F299 HydrophobicContact CB-CZ 4.17Å; R221-F299 VanDerWaalsContact CD-CZ 3.47Å; R221-F299 HydrophobicContact CG-CE1 4.33Å; R221-F299 HydrophobicContact CG-CZ 4.39Å |
| 222 | T | 90.4 | Very high | 88.5 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 32% | 0.319 | 32% | 0.32 | S | S | . | . | trans | -89.4 | 158.7 | -176.9 | 69.7 | 0 | 0 | 0 | 0 | 113.9 | L217 V220 E234 L235 | L217-T222 HydrophobicContact CD2-CG2 4.26Å; V220-T222 HydrophobicContact CG1-CG2 3.89Å; T222-E234 VanDerWaalsContact CB-CD 3.44Å; T222-E234 WeakPolarHBondContact CB-OE1 3.33Å; T222-E234 HydrophobicContact CG2-CG 3.94Å; T222-E234 WeakPolarHBondContact CG2-OE1 3.4Å; T222-E234 PolarHBondContact OG1-OE1 2.52Å; T222-L235 CarbonylContact C-O 3.29Å; T222-L235 WeakPolarHBondContact CA-O 3.46Å | ||
| 223 | F | 90.6 | Very high | 88.2 | Confident | 30 Ų | 30 | 57.8 Ų | 57.8 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | trans | -149.2 | 119.4 | -177.8 | -69 | -86.4 | 0 | 0 | 0 | 110.2 | R221 E234 L235 V237 F287 Y295 L296 F299 | R221-F223 HydrophobicContact CB-CE2 4.37Å; R221-F223 HydrophobicContact CG-CE2 3.82Å; R221-F223 HydrophobicContact CG-CZ 4.08Å; R221-F223 WeakPolarHBondContact O-CD2 3.33Å; F223-E234 WeakPolarHBondContact O-CA 3.48Å; F223-L235 HydrophobicContact CB-CB 4.4Å; F223-L235 PolarHBondContact N-O 2.78Å; F223-L235 VanDerWaalsContact N-O 3.11Å; F223-L235 PolarHBondContact O-N 3.06Å; F223-V237 HydrophobicContact CD2-CG2 4.08Å; F223-V237 HydrophobicContact CE2-CG2 4.08Å; F223-F287 HydrophobicContact CB-CE1 4.27Å; F223-Y295 AromaticContact CE1-CD1 3.78Å; F223-Y295 HydrophobicContact CE1-CD1 3.78Å; F223-Y295 AromaticContact CE1-CE1 3.56Å; F223-Y295 HydrophobicContact CE1-CE1 3.56Å; F223-Y295 HydrophobicContact CZ-CD1 4.31Å; F223-Y295 AromaticContact CZ-CE1 3.8Å; F223-Y295 HydrophobicContact CZ-CE1 3.8Å; F223-L296 HydrophobicContact CB-CD1 4.46Å; F223-L296 HydrophobicContact CD1-CD1 4.31Å; F223-L296 HydrophobicContact CD2-CD1 3.56Å; F223-L296 HydrophobicContact CE1-CD1 4.47Å; F223-L296 HydrophobicContact CE2-CD1 3.74Å; F223-L296 HydrophobicContact CG-CD1 3.86Å; F223-L296 HydrophobicContact CZ-CD1 4.19Å; F223-F299 AromaticContact CE2-CD1 3.73Å; F223-F299 HydrophobicContact CE2-CD1 3.73Å; F223-F299 HydrophobicContact CE2-CE1 4.03Å; F223-F299 AromaticContact CZ-CD1 3.79Å; F223-F299 HydrophobicContact CZ-CD1 3.79Å; F223-F299 HydrophobicContact CZ-CE1 4.29Å; F223-F299 HydrophobicContact CZ-CG 4.17Å | ||
| 224 | T | 91 | Very high | 88.1 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 135.3 | 178.4 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | F287 | T224-F287 WeakPolarHBondContact O-CD1 3.2Å; T224-F287 WeakPolarHBondContact O-CE1 3.44Å |
| 225 | G | 90.4 | Very high | 88.2 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | -168.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A233 | G225-A233 CarbonylContact C-O 3.22Å; G225-A233 PolarHBondContact N-O 2.77Å; G225-A233 PolarHBondContact O-N 3.19Å |
| 226 | M | 90.6 | Very high | 88.3 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 27% | 0.266 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 149 | 172.4 | -70.1 | 166.1 | -77.2 | 0 | 0 | 110.3 | E231 F285 I286 | M226-E231 CarbonylContact C-O 3.38Å; M226-E231 WeakPolarHBondContact CA-O 3.39Å; M226-F285 CarbonylContact O-C 2.9Å; M226-F285 WeakPolarHBondContact O-CA 3.38Å; M226-I286 HydrophobicContact CB-CB 4.47Å; M226-I286 PolarHBondContact N-O 2.82Å; M226-I286 PolarHBondContact O-N 2.74Å |
| 227 | T | 87.5 | Confident | 88.6 | Confident | 13 Ų | 13 | 43.9 Ų | 43.9 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 173.8 | 168 | 64 | 0 | 0 | 0 | 0 | 111.1 | S229 N230 E231 A233 T246 F285 | T227-S229 PolarHBondContact O-N 2.77Å; T227-S229 PolarHBondContact OG1-N 3.46Å; T227-S229 VanDerWaalsContact OG1-N 3.17Å; T227-S229 PolarHBondContact OG1-OG 2.76Å; T227-N230 PolarHBondContact O-N 2.74Å; T227-N230 VanDerWaalsContact O-N 3.08Å; T227-N230 PolarHBondContact OG1-N 3.21Å; T227-E231 HydrophobicContact CG2-CB 4.06Å; T227-E231 PolarHBondContact N-O 3.08Å; T227-E231 WeakPolarHBondContact OG1-CB 3.38Å; T227-E231 PolarHBondContact OG1-N 2.66Å; T227-A233 HydrophobicContact CG2-CB 3.8Å; T227-T246 HydrophobicContact CG2-CG2 4.25Å; T227-F285 HydrophobicContact CG2-CE1 4.33Å |
| 228 | C | 82.2 | Confident | 88.8 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 62% | 0.615 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -14.2 | 166.6 | 52.6 | 0 | 0 | 0 | 0 | 114.4 | H284 | C228-H284 HydrophobicContact CB-CB 4.29Å; C228-H284 PolarHBondContact N-O 3.02Å |
| 229 | S | 80.8 | Confident | 88.7 | Confident | 67 Ų | 67 | 41 Ų | 41 | 47% | 0.469 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 1.4 | 169.5 | 35.4 | 0 | 0 | 0 | 0 | 113.7 | T227 E231 | T227-S229 PolarHBondContact O-N 2.77Å; T227-S229 PolarHBondContact OG1-N 3.46Å; T227-S229 VanDerWaalsContact OG1-N 3.17Å; T227-S229 PolarHBondContact OG1-OG 2.76Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 WeakPolarHBondContact CB-OE1 3.44Å; S229-E231 PolarHBondContact O-N 3.2Å; S229-E231 PolarHBondContact OG-OE1 3.37Å |
| 230 | N | 79.5 | Confident | 88.6 | Confident | 113 Ų | 113 | 44.1 Ų | 44.1 | 60% | 0.604 | 25% | 0.247 | S | C | * | . | trans | 65.9 | 16.4 | -174.6 | -49.2 | -59.2 | 0 | 0 | 0 | 115.5 | T227 | T227-N230 PolarHBondContact O-N 2.74Å; T227-N230 VanDerWaalsContact O-N 3.08Å; T227-N230 PolarHBondContact OG1-N 3.21Å | ||
| 231 | E | 83.7 | Confident | 88.7 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 30% | 0.304 | 24% | 0.238 | S | C | . | . | trans | -67.5 | 141.4 | 165.5 | -64.4 | 142 | -133.8 | 0 | 0 | 109.1 | M226 T227 S229 A233 | M226-E231 CarbonylContact C-O 3.38Å; M226-E231 WeakPolarHBondContact CA-O 3.39Å; T227-E231 HydrophobicContact CG2-CB 4.06Å; T227-E231 PolarHBondContact N-O 3.08Å; T227-E231 WeakPolarHBondContact OG1-CB 3.38Å; T227-E231 PolarHBondContact OG1-N 2.66Å; S229-E231 VanDerWaalsContact C-N 3.27Å; S229-E231 WeakPolarHBondContact CB-OE1 3.44Å; S229-E231 PolarHBondContact O-N 3.2Å; S229-E231 PolarHBondContact OG-OE1 3.37Å; E231-A233 PolarHBondContact O-N 3.49Å | ||
| 232 | V | 87.9 | Confident | 88.9 | Confident | 71 Ų | 71 | 39 Ų | 39 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 124.4 | 171.2 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | F247 | V232-F247 HydrophobicContact CG1-CD2 4.18Å; V232-F247 PolarHBondContact O-N 3Å |
| 233 | A | 89.3 | Confident | 88.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G225 T227 E231 T245 T246 F285 | G225-A233 CarbonylContact C-O 3.22Å; G225-A233 PolarHBondContact N-O 2.77Å; G225-A233 PolarHBondContact O-N 3.19Å; T227-A233 HydrophobicContact CG2-CB 3.8Å; E231-A233 PolarHBondContact O-N 3.49Å; A233-T245 CarbonylContact C-O 3.45Å; A233-T245 VanDerWaalsContact CA-O 3.28Å; A233-T245 WeakPolarHBondContact CA-O 3.35Å; A233-T246 HydrophobicContact CB-CG2 4.18Å; A233-F285 HydrophobicContact CB-CD1 4.42Å; A233-F285 HydrophobicContact CB-CE1 4.11Å |
| 234 | E | 90.3 | Very high | 88.8 | Confident | 41 Ų | 41 | 37.3 Ų | 37.3 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.6 | 174.9 | 170.3 | 179.5 | -122.1 | 0 | 0 | 109.8 | T222 F223 I244 T245 F247 | T222-E234 VanDerWaalsContact CB-CD 3.44Å; T222-E234 WeakPolarHBondContact CB-OE1 3.33Å; T222-E234 HydrophobicContact CG2-CG 3.94Å; T222-E234 WeakPolarHBondContact CG2-OE1 3.4Å; T222-E234 PolarHBondContact OG1-OE1 2.52Å; F223-E234 WeakPolarHBondContact O-CA 3.48Å; E234-I244 WeakPolarHBondContact O-CA 2.88Å; E234-T245 WeakPolarHBondContact CB-OG1 2.87Å; E234-T245 PolarHBondContact N-O 3.15Å; E234-T245 PolarHBondContact O-N 3.5Å; E234-T245 PolarHBondContact O-OG1 3.49Å; E234-T245 PolarHBondContact OE2-OG1 2.96Å; E234-F247 HydrophobicContact CB-CE2 3.61Å; E234-F247 HydrophobicContact CB-CZ 3.97Å |
| 235 | L | 92.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 99.5 | -178.5 | -69.6 | 78.8 | 0 | 0 | 0 | 109 | T222 F223 V237 N243 F272 F285 F287 L296 | T222-L235 CarbonylContact C-O 3.29Å; T222-L235 WeakPolarHBondContact CA-O 3.46Å; F223-L235 HydrophobicContact CB-CB 4.4Å; F223-L235 PolarHBondContact N-O 2.78Å; F223-L235 VanDerWaalsContact N-O 3.11Å; F223-L235 PolarHBondContact O-N 3.06Å; L235-V237 PolarHBondContact O-N 2.87Å; L235-N243 CarbonylContact C-O 3.14Å; L235-N243 WeakPolarHBondContact CA-O 3.38Å; L235-F272 HydrophobicContact CD2-CD1 3.96Å; L235-F272 HydrophobicContact CD2-CE1 4.09Å; L235-F285 HydrophobicContact CD1-CD1 3.76Å; L235-F285 HydrophobicContact CD1-CE1 3.99Å; L235-F285 HydrophobicContact CD1-CG 4.08Å; L235-F285 HydrophobicContact CD2-CD1 4.31Å; L235-F285 HydrophobicContact CD2-CD2 3.69Å; L235-F285 HydrophobicContact CD2-CE1 4.46Å; L235-F285 HydrophobicContact CD2-CE2 3.86Å; L235-F285 HydrophobicContact CD2-CG 3.92Å; L235-F285 HydrophobicContact CD2-CZ 4.25Å; L235-F285 HydrophobicContact CG-CD1 4.39Å; L235-F285 HydrophobicContact CG-CE1 4.32Å; L235-F285 HydrophobicContact CG-CE2 4.45Å; L235-F285 HydrophobicContact CG-CG 4.48Å; L235-F285 HydrophobicContact CG-CZ 4.35Å; L235-F287 HydrophobicContact CD1-CZ 4.08Å; L235-F287 HydrophobicContact CD2-CZ 4.28Å; L235-L296 HydrophobicContact CD2-CD2 4.02Å |
| 236 | G | 92.2 | Very high | 88.4 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 102.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N243 | G236-N243 PolarHBondContact N-O 3Å; G236-N243 PolarHBondContact O-N 3.35Å |
| 237 | V | 93.3 | Very high | 87.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 126.7 | 176 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | R221 F223 L235 W259 L296 F299 M303 | R221-V237 PolarHBondContact N-O 2.71Å; R221-V237 PolarHBondContact O-N 3.32Å; F223-V237 HydrophobicContact CD2-CG2 4.08Å; F223-V237 HydrophobicContact CE2-CG2 4.08Å; L235-V237 PolarHBondContact O-N 2.87Å; V237-W259 HydrophobicContact CG1-CH2 4.18Å; V237-W259 HydrophobicContact CG1-CZ2 4.19Å; V237-L296 HydrophobicContact CG2-CD1 3.83Å; V237-F299 HydrophobicContact CB-CD1 4.32Å; V237-F299 HydrophobicContact CB-CE1 4.01Å; V237-F299 HydrophobicContact CG1-CD1 4.15Å; V237-F299 HydrophobicContact CG1-CE1 3.9Å; V237-M303 HydrophobicContact CG1-CB 4.39Å; V237-M303 HydrophobicContact CG1-CG 4.07Å |
| 238 | S | 91.8 | Very high | 86.8 | Confident | 9 Ų | 9 | 40.3 Ų | 40.3 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | trans | -138.4 | 178.2 | -174.2 | 69.6 | 0 | 0 | 0 | 0 | 112.4 | N240 G241 W259 | S238-N240 PolarHBondContact O-N 2.78Å; S238-N240 PolarHBondContact OG-N 2.64Å; S238-G241 PolarHBondContact N-O 3.38Å; S238-G241 PolarHBondContact OG-N 3.31Å; S238-G241 PolarHBondContact OG-O 3.48Å; S238-G241 VanDerWaalsContact OG-O 3.11Å; S238-W259 WeakPolarHBondContact O-CZ2 3.23Å; S238-W259 PolarHBondContact O-NE1 3.43Å | ||
| 239 | R | 89.9 | Confident | 85.5 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -60.4 | -31.1 | 168.1 | 174.4 | 172.1 | 168.7 | -92.4 | 21.4 | 112.3 | L101 F102 D104 W259 Y307 Y310 | L101-R239 HydrophobicContact CD1-CB 3.82Å; L101-R239 HydrophobicContact CD1-CG 3.96Å; F102-R239 WeakPolarHBondContact O-CB 3.42Å; F102-R239 WeakPolarHBondContact O-CD 3.46Å; D104-R239 IonicContact OD1-NH1 3.44Å; D104-R239 PolarHBondContact OD1-NH1 3.3Å; D104-R239 IonicContact OD2-CZ 2.66Å; D104-R239 IonicContact OD2-NH1 3.48Å; D104-R239 PolarHBondContact OD2-NH1 2.74Å; D104-R239 IonicContact OD2-NH2 3.83Å; R239-W259 PolarHBondContact O-NE1 3.11Å; R239-Y307 HydrophobicContact CG-CD2 3.95Å; R239-Y307 HydrophobicContact CG-CE2 4.16Å; R239-Y307 WeakPolarHBondContact O-CD2 2.83Å; R239-Y307 WeakPolarHBondContact O-CE2 3.24Å; R239-Y310 PolarHBondContact NH2-OH 2.79Å; R239-Y310 VanDerWaalsContact NH2-OH 3.08Å |
| 240 | N | 87.2 | Confident | 84.3 | Confident | 82 Ų | 82 | 45.4 Ų | 45.4 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -88.5 | -20.7 | -171.8 | -64 | -18 | 0 | 0 | 0 | 112.5 | D104 S238 K258 | D104-N240 PolarHBondContact OD1-ND2 3.24Å; D104-N240 PolarHBondContact OD1-OD1 3.5Å; S238-N240 PolarHBondContact O-N 2.78Å; S238-N240 PolarHBondContact OG-N 2.64Å; N240-K258 WeakPolarHBondContact O-CA 3.32Å |
| 241 | G | 91.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 159.6 | -154.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S238 L257 | S238-G241 PolarHBondContact N-O 3.38Å; S238-G241 PolarHBondContact OG-N 3.31Å; S238-G241 PolarHBondContact OG-O 3.48Å; S238-G241 VanDerWaalsContact OG-O 3.11Å; G241-L257 CarbonylContact C-O 3.08Å; G241-L257 VanDerWaalsContact CA-O 3.25Å; G241-L257 WeakPolarHBondContact CA-O 3.38Å |
| 242 | I | 93.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 110.4 | 169.2 | -55.6 | 177.5 | 0 | 0 | 0 | 108 | I244 L257 W259 I262 L265 F272 I274 | I242-I244 HydrophobicContact CG2-CG1 4.43Å; I242-L257 PolarHBondContact N-O 2.96Å; I242-L257 WeakPolarHBondContact O-CA 3.41Å; I242-L257 VanDerWaalsContact O-CB 3.29Å; I242-L257 WeakPolarHBondContact O-CB 3.48Å; I242-L257 PolarHBondContact O-N 3.37Å; I242-W259 HydrophobicContact CD1-CH2 4.46Å; I242-W259 HydrophobicContact CD1-CZ3 4.37Å; I242-W259 HydrophobicContact CG1-CH2 4.06Å; I242-W259 HydrophobicContact CG1-CZ3 4.25Å; I242-I262 HydrophobicContact CD1-CD1 3.96Å; I242-I262 HydrophobicContact CG1-CD1 4.08Å; I242-L265 HydrophobicContact CD1-CD1 4.46Å; I242-L265 HydrophobicContact CD1-CD2 4.13Å; I242-F272 HydrophobicContact CD1-CZ 4.49Å; I242-I274 HydrophobicContact CD1-CD1 3.96Å; I242-I274 HydrophobicContact CD1-CG1 4.5Å; I242-I274 HydrophobicContact CG2-CD1 4.16Å |
| 243 | N | 90.8 | Very high | 81.5 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 20% | 0.198 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 140.9 | 170.2 | -58.3 | -9.7 | 0 | 0 | 0 | 108.3 | L235 G236 N256 | L235-N243 CarbonylContact C-O 3.14Å; L235-N243 WeakPolarHBondContact CA-O 3.38Å; G236-N243 PolarHBondContact N-O 3Å; G236-N243 PolarHBondContact O-N 3.35Å; N243-N256 WeakPolarHBondContact CB-OD1 3.46Å; N243-N256 PolarHBondContact OD1-OD1 2.91Å |
| 244 | I | 90 | Very high | 81 | Confident | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 118.8 | 177.9 | -61.4 | 150.5 | 0 | 0 | 0 | 107.6 | E234 I242 I254 A255 L257 V283 F285 | E234-I244 WeakPolarHBondContact O-CA 2.88Å; I242-I244 HydrophobicContact CG2-CG1 4.43Å; I244-I254 CarbonylContact O-C 3.25Å; I244-I254 WeakPolarHBondContact O-CA 3.31Å; I244-A255 HydrophobicContact CB-CB 4.33Å; I244-A255 PolarHBondContact N-O 3.05Å; I244-A255 PolarHBondContact O-N 3.22Å; I244-L257 HydrophobicContact CD1-CD1 3.48Å; I244-L257 VanDerWaalsContact CD1-CD1 3.48Å; I244-L257 HydrophobicContact CD1-CG 4.05Å; I244-V283 HydrophobicContact CD1-CG1 4.41Å; I244-F285 HydrophobicContact CB-CZ 4.38Å; I244-F285 HydrophobicContact CD1-CE2 4.1Å; I244-F285 HydrophobicContact CD1-CZ 3.66Å; I244-F285 HydrophobicContact CG1-CE2 4.34Å; I244-F285 HydrophobicContact CG1-CZ 3.73Å; I244-F285 HydrophobicContact CG2-CE1 3.85Å; I244-F285 HydrophobicContact CG2-CZ 3.7Å |
| 245 | T | 88.1 | Confident | 80.6 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 22% | 0.215 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.5 | 175.2 | 38 | 0 | 0 | 0 | 0 | 108.9 | A233 E234 T253 I254 | A233-T245 CarbonylContact C-O 3.45Å; A233-T245 VanDerWaalsContact CA-O 3.28Å; A233-T245 WeakPolarHBondContact CA-O 3.35Å; E234-T245 WeakPolarHBondContact CB-OG1 2.87Å; E234-T245 PolarHBondContact N-O 3.15Å; E234-T245 PolarHBondContact O-N 3.5Å; E234-T245 PolarHBondContact O-OG1 3.49Å; E234-T245 PolarHBondContact OE2-OG1 2.96Å; T245-T253 WeakPolarHBondContact CA-O 3.22Å; T245-I254 HydrophobicContact CG2-CD1 4.5Å; T245-I254 HydrophobicContact CG2-CG1 4.18Å; T245-I254 HydrophobicContact CG2-CG2 4.2Å |
| 246 | T | 84 | Confident | 80.3 | Confident | 11 Ų | 11 | 63.1 Ų | 63.1 | 7% | 0.067 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 131.7 | 174.7 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | T227 A233 E248 Q252 T253 | T227-T246 HydrophobicContact CG2-CG2 4.25Å; A233-T246 HydrophobicContact CB-CG2 4.18Å; T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.91Å; T246-Q252 WeakPolarHBondContact O-CA 3.21Å; T246-T253 PolarHBondContact N-O 3.27Å; T246-T253 WeakPolarHBondContact OG1-CB 3.39Å; T246-T253 PolarHBondContact OG1-N 2.85Å; T246-T253 PolarHBondContact OG1-O 3.13Å; T246-T253 PolarHBondContact OG1-OG1 2.9Å |
| 247 | F | 76.3 | Confident | 80.2 | Confident | 98 Ų | 98 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.326 | S | S | . | . | trans | -93.8 | 51.7 | 176.8 | -59.4 | -68.2 | 0 | 0 | 0 | 111.3 | V232 E234 | V232-F247 HydrophobicContact CG1-CD2 4.18Å; V232-F247 PolarHBondContact O-N 3Å; E234-F247 HydrophobicContact CB-CE2 3.61Å; E234-F247 HydrophobicContact CB-CZ 3.97Å | ||
| 248 | E | 67.9 | Low | 80.1 | Confident | 91 Ų | 91 | 69.2 Ų | 69.2 | 43% | 0.425 | 35% | 0.349 | S | S | . | . | trans | -74 | 127 | 170.8 | -172 | 176.6 | -142.3 | 0 | 0 | 109.1 | T246 Q250 R251 | T246-E248 VanDerWaalsContact C-N 3.29Å; T246-E248 PolarHBondContact O-N 2.91Å; E248-Q250 PolarHBondContact O-N 2.85Å; E248-R251 CarbonylContact O-C 2.94Å; E248-R251 PolarHBondContact O-N 3.37Å | ||
| 249 | P | 55.5 | Low | 80.1 | Confident | 129 Ų | 129 | 69.2 Ų | 69.2 | 84% | 0.838 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 3.8 | -168.3 | 27.9 | -37 | 0 | 0 | 0 | 115.3 | ||
| 250 | Q | 56.3 | Low | 80.1 | Confident | 137 Ų | 137 | 74.1 Ų | 74.1 | 64% | 0.64 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.3 | -21.3 | 176 | -65.8 | -175.5 | -12.9 | 0 | 0 | 113.5 | E248 | E248-Q250 PolarHBondContact O-N 2.85Š|
| 251 | R | 57.4 | Low | 80.1 | Confident | 191 Ų | 191 | 73.5 Ų | 73.5 | 72% | 0.721 | 37% | 0.366 | S | S | * | . | trans | -151.9 | 105.7 | 176.4 | -68.9 | -169.8 | 176.4 | -176.5 | -1.6 | 111.2 | E248 T253 | E248-R251 CarbonylContact O-C 2.94Å; E248-R251 PolarHBondContact O-N 3.37Å; R251-T253 PolarHBondContact O-N 2.96Å | ||
| 252 | Q | 67.5 | Low | 80.1 | Confident | 150 Ų | 150 | 74.6 Ų | 74.6 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | trans | -66.7 | 118.4 | 164.9 | -67.8 | -177.8 | 4.1 | 0 | 0 | 109.2 | T246 | T246-Q252 WeakPolarHBondContact O-CA 3.21Š| ||
| 253 | T | 66.9 | Low | 79.9 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134.7 | 173 | 80.6 | 0 | 0 | 0 | 0 | 110.7 | T245 T246 R251 | T245-T253 WeakPolarHBondContact CA-O 3.22Å; T246-T253 PolarHBondContact N-O 3.27Å; T246-T253 WeakPolarHBondContact OG1-CB 3.39Å; T246-T253 PolarHBondContact OG1-N 2.85Å; T246-T253 PolarHBondContact OG1-O 3.13Å; T246-T253 PolarHBondContact OG1-OG1 2.9Å; R251-T253 PolarHBondContact O-N 2.96Å |
| 254 | I | 77.2 | Confident | 79.9 | Confident | 111 Ų | 111 | 83 Ų | 83 | 57% | 0.569 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 109.6 | -178.8 | -46.5 | -172.1 | 0 | 0 | 0 | 109 | I244 T245 | I244-I254 CarbonylContact O-C 3.25Å; I244-I254 WeakPolarHBondContact O-CA 3.31Å; T245-I254 HydrophobicContact CG2-CD1 4.5Å; T245-I254 HydrophobicContact CG2-CG1 4.18Å; T245-I254 HydrophobicContact CG2-CG2 4.2Å |
| 255 | A | 83.3 | Confident | 80.1 | Confident | 42 Ų | 42 | 83.2 Ų | 83.2 | 35% | 0.347 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I244 | I244-A255 HydrophobicContact CB-CB 4.33Å; I244-A255 PolarHBondContact N-O 3.05Å; I244-A255 PolarHBondContact O-N 3.22Å |
| 256 | N | 86.8 | Confident | 80.4 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 53% | 0.529 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 103.7 | -176.3 | -64 | -16.6 | 0 | 0 | 0 | 111.4 | N243 K258 | N243-N256 WeakPolarHBondContact CB-OD1 3.46Å; N243-N256 PolarHBondContact OD1-OD1 2.91Å; N256-K258 PolarHBondContact O-N 3.09Å |
| 257 | L | 89.5 | Confident | 80.8 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 11% | 0.105 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 92.4 | 179.8 | -55.5 | 177.8 | 0 | 0 | 0 | 110.6 | G241 I242 I244 I262 I274 L276 V283 | G241-L257 CarbonylContact C-O 3.08Å; G241-L257 VanDerWaalsContact CA-O 3.25Å; G241-L257 WeakPolarHBondContact CA-O 3.38Å; I242-L257 PolarHBondContact N-O 2.96Å; I242-L257 WeakPolarHBondContact O-CA 3.41Å; I242-L257 VanDerWaalsContact O-CB 3.29Å; I242-L257 WeakPolarHBondContact O-CB 3.48Å; I242-L257 PolarHBondContact O-N 3.37Å; I244-L257 HydrophobicContact CD1-CD1 3.48Å; I244-L257 VanDerWaalsContact CD1-CD1 3.48Å; I244-L257 HydrophobicContact CD1-CG 4.05Å; L257-I262 HydrophobicContact CB-CD1 4.45Å; L257-I274 HydrophobicContact CD1-CD1 3.99Å; L257-I274 HydrophobicContact CD1-CG2 4.2Å; L257-L276 HydrophobicContact CD1-CD2 4.17Å; L257-L276 HydrophobicContact CD2-CD1 4.23Å; L257-L276 HydrophobicContact CD2-CD2 4.01Å; L257-V283 HydrophobicContact CD1-CG2 4.44Å |
| 258 | K | 91.3 | Very high | 81.6 | Confident | 111 Ų | 111 | 84.3 Ų | 84.3 | 48% | 0.483 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 146.4 | 172.5 | -73.5 | -169.8 | 170.8 | -167.2 | 0 | 112.2 | N240 N256 E260 H261 | N240-K258 WeakPolarHBondContact O-CA 3.32Å; N256-K258 PolarHBondContact O-N 3.09Å; K258-E260 HydrophobicContact CB-CB 4.47Å; K258-E260 IonicContact NZ-OE2 3.79Å; K258-E260 PolarHBondContact O-N 3.34Å; K258-H261 WeakPolarHBondContact O-CB 3.36Å; K258-H261 PolarHBondContact O-N 3.04Å |
| 259 | W | 91.1 | Very high | 82.7 | Confident | 10 Ų | 10 | 90.3 Ų | 90.3 | 4% | 0.038 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -53.5 | -39.1 | 173.4 | -64.9 | 116.4 | 0 | 0 | 0 | 112.5 | V237 S238 R239 I242 H261 I262 L265 C300 M303 H304 Y307 | V237-W259 HydrophobicContact CG1-CH2 4.18Å; V237-W259 HydrophobicContact CG1-CZ2 4.19Å; S238-W259 WeakPolarHBondContact O-CZ2 3.23Å; S238-W259 PolarHBondContact O-NE1 3.43Å; R239-W259 PolarHBondContact O-NE1 3.11Å; I242-W259 HydrophobicContact CD1-CH2 4.46Å; I242-W259 HydrophobicContact CD1-CZ3 4.37Å; I242-W259 HydrophobicContact CG1-CH2 4.06Å; I242-W259 HydrophobicContact CG1-CZ3 4.25Å; W259-H261 PolarHBondContact O-N 2.94Å; W259-I262 HydrophobicContact CE3-CD1 3.93Å; W259-I262 HydrophobicContact CZ3-CD1 4.15Å; W259-I262 PolarHBondContact O-N 3.42Å; W259-L265 HydrophobicContact CZ3-CD1 4.29Å; W259-C300 HydrophobicContact CH2-CB 4.27Å; W259-M303 HydrophobicContact CZ2-CB 4.28Å; W259-H304 HydrophobicContact CE3-CB 4.12Å; W259-H304 AromaticContact CE3-CD2 3.98Å; W259-H304 HydrophobicContact CH2-CB 4.43Å; W259-H304 HydrophobicContact CZ3-CB 4.06Å; W259-Y307 HydrophobicContact CB-CE1 4.29Å; W259-Y307 AromaticContact CD1-CD2 3.81Å; W259-Y307 AromaticContact CD1-CE2 3.73Å; W259-Y307 AromaticContact CD1-CZ 3.93Å; W259-Y307 HydrophobicContact CG-CE1 4.48Å |
| 260 | E | 89.2 | Confident | 84.5 | Confident | 121 Ų | 121 | 88.5 Ų | 88.5 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -59 | -14.2 | 174.4 | -61.7 | 167.3 | 167 | 0 | 0 | 114.8 | K258 L277 | K258-E260 HydrophobicContact CB-CB 4.47Å; K258-E260 IonicContact NZ-OE2 3.79Å; K258-E260 PolarHBondContact O-N 3.34Å; E260-L277 VanDerWaalsContact O-CD1 3.29Å; E260-L277 WeakPolarHBondContact O-CD1 3.3Å |
| 261 | H | 88.3 | Confident | 86.2 | Confident | 70 Ų | 70 | 84.2 Ų | 84.2 | 32% | 0.324 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -104.3 | -8.6 | 178.4 | -64 | 165.4 | 0 | 0 | 0 | 113.1 | K258 W259 L276 L277 | K258-H261 WeakPolarHBondContact O-CB 3.36Å; K258-H261 PolarHBondContact O-N 3.04Å; W259-H261 PolarHBondContact O-N 2.94Å; H261-L276 CarbonylContact O-C 2.99Å; H261-L276 WeakPolarHBondContact O-CA 3.41Å; H261-L277 PolarHBondContact O-N 3.22Å |
| 262 | I | 91.1 | Very high | 88 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 120.2 | -176.8 | -63 | 171.6 | 0 | 0 | 0 | 109.4 | I242 L257 W259 L265 I274 L276 | I242-I262 HydrophobicContact CD1-CD1 3.96Å; I242-I262 HydrophobicContact CG1-CD1 4.08Å; L257-I262 HydrophobicContact CB-CD1 4.45Å; W259-I262 HydrophobicContact CE3-CD1 3.93Å; W259-I262 HydrophobicContact CZ3-CD1 4.15Å; W259-I262 PolarHBondContact O-N 3.42Å; I262-L265 HydrophobicContact CG2-CD2 3.68Å; I262-L265 HydrophobicContact CG2-CG 3.88Å; I262-I274 HydrophobicContact CD1-CG2 4.35Å; I262-I274 HydrophobicContact CG1-CG2 4.02Å; I262-I274 HydrophobicContact CG2-CG2 4.17Å; I262-L276 HydrophobicContact CG1-CD2 4.49Å |
| 263 | K | 89.9 | Confident | 89.2 | Confident | 139 Ų | 139 | 68.7 Ų | 68.7 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -45.5 | 178.7 | -176 | -178.4 | 178 | -176.3 | 0 | 112.1 | Q275 L277 | K263-Q275 HydrophobicContact CB-CB 4.22Å; K263-Q275 PolarHBondContact N-O 2.83Å; K263-L277 HydrophobicContact CB-CD2 3.73Å; K263-L277 HydrophobicContact CB-CG 3.81Å; K263-L277 HydrophobicContact CD-CD2 4.39Å; K263-L277 HydrophobicContact CG-CD2 3.82Å; K263-L277 HydrophobicContact CG-CG 4.46Å |
| 264 | D | 91.1 | Very high | 90.5 | Very high | 74 Ų | 74 | 65.3 Ų | 65.3 | 40% | 0.396 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 152.4 | -175.6 | -172.3 | 21.4 | 0 | 0 | 0 | 109.9 | T266 Q275 | D264-T266 VanDerWaalsContact OD2-CG2 3.3Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.22Å; D264-Q275 HydrophobicContact CB-CB 4.23Å; D264-Q275 HydrophobicContact CB-CG 4.41Å; D264-Q275 PolarHBondContact O-N 2.68Å; D264-Q275 PolarHBondContact OD2-NE2 2.73Å |
| 265 | L | 94.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.3 | 175.4 | -66 | -180 | 0 | 0 | 0 | 108.3 | I242 W259 I262 F272 I274 W297 C300 | I242-L265 HydrophobicContact CD1-CD1 4.46Å; I242-L265 HydrophobicContact CD1-CD2 4.13Å; W259-L265 HydrophobicContact CZ3-CD1 4.29Å; I262-L265 HydrophobicContact CG2-CD2 3.68Å; I262-L265 HydrophobicContact CG2-CG 3.88Å; L265-F272 HydrophobicContact CD2-CZ 4.03Å; L265-I274 HydrophobicContact CD2-CB 4.14Å; L265-I274 HydrophobicContact CD2-CG1 3.89Å; L265-I274 HydrophobicContact CD2-CG2 3.88Å; L265-W297 PolarHBondContact O-NE1 2.75Å; L265-C300 HydrophobicContact CD1-CB 3.5Å |
| 266 | T | 93.2 | Very high | 91.5 | Very high | 48 Ų | 48 | 62 Ų | 62 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 160.6 | -176.5 | 54.8 | 0 | 0 | 0 | 0 | 111.3 | D264 F272 T273 | D264-T266 VanDerWaalsContact OD2-CG2 3.3Å; D264-T266 WeakPolarHBondContact OD2-CG2 3.22Å; T266-F272 WeakPolarHBondContact O-CD2 3.14Å; T266-T273 PolarHBondContact N-O 2.51Å; T266-T273 PolarHBondContact O-N 3.43Å; T266-T273 WeakPolarHBondContact OG1-CB 3.16Å; T266-T273 PolarHBondContact OG1-O 3.03Å |
| 267 | Y | 93.3 | Very high | 91.5 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 24% | 0.243 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 141.8 | 174.2 | 75.2 | -66 | 0 | 0 | 0 | 110 | T271 Y290 R294 W297 | Y267-T271 CarbonylContact C-O 3.59Å; Y267-T271 WeakPolarHBondContact CA-O 2.91Å; Y267-T271 WeakPolarHBondContact CB-O 3.12Å; Y267-Y290 HydrophobicContact CD2-CE2 4.2Å; Y267-Y290 HydrophobicContact CE2-CD2 4.49Å; Y267-Y290 AromaticContact CE2-CE2 3.66Å; Y267-Y290 HydrophobicContact CE2-CE2 3.66Å; Y267-R294 HydrophobicContact CD2-CB 3.84Å; Y267-R294 HydrophobicContact CD2-CG 4.24Å; Y267-R294 HydrophobicContact CE2-CB 3.53Å; Y267-R294 HydrophobicContact CE2-CG 3.5Å; Y267-R294 VanDerWaalsContact CE2-CG 3.5Å; Y267-R294 PolarHBondContact OH-NE 3.29Å; Y267-W297 HydrophobicContact CD1-CB 3.96Å; Y267-W297 AromaticContact CD1-CD2 3.32Å; Y267-W297 HydrophobicContact CD1-CD2 3.32Å; Y267-W297 AromaticContact CD1-CE2 3.86Å; Y267-W297 AromaticContact CD1-CE3 3.5Å; Y267-W297 HydrophobicContact CD1-CE3 3.5Å; Y267-W297 AromaticContact CD1-CG 3.48Å; Y267-W297 HydrophobicContact CD1-CG 3.48Å; Y267-W297 VanDerWaalsContact CD1-CG 3.48Å; Y267-W297 HydrophobicContact CD1-CZ3 4.23Å; Y267-W297 AromaticContact CE1-CD2 3.48Å; Y267-W297 HydrophobicContact CE1-CD2 3.48Å; Y267-W297 VanDerWaalsContact CE1-CD2 3.48Å; Y267-W297 AromaticContact CE1-CE2 3.99Å; Y267-W297 AromaticContact CE1-CE3 3.15Å; Y267-W297 HydrophobicContact CE1-CE3 3.15Å; Y267-W297 HydrophobicContact CE1-CG 4.14Å; Y267-W297 HydrophobicContact CE1-CH2 4.05Å; Y267-W297 HydrophobicContact CE1-CZ2 4.27Å; Y267-W297 AromaticContact CE1-CZ3 3.48Å; Y267-W297 HydrophobicContact CE1-CZ3 3.48Å; Y267-W297 VanDerWaalsContact CE1-CZ3 3.48Å; Y267-W297 HydrophobicContact CG-CB 4.14Å; Y267-W297 HydrophobicContact CG-CD2 4.33Å; Y267-W297 HydrophobicContact CG-CG 4.14Å; Y267-W297 AromaticContact CZ-CE3 3.92Å |
| 268 | A | 91.7 | Very high | 90.8 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 107.5 | -178 | 0 | 0 | 0 | 0 | 0 | 110.2 | K270 T271 | A268-K270 PolarHBondContact O-N 3.38Å; A268-T271 PolarHBondContact N-O 3.01Å; A268-T271 PolarHBondContact O-N 3.37Å; A268-T271 PolarHBondContact O-OG1 3.03Å |
| 269 | R | 91 | Very high | 89.4 | Confident | 216 Ų | 216 | 73.5 Ų | 73.5 | 82% | 0.815 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | -126 | -170.3 | -52.4 | 176.5 | -179.9 | 176.9 | 0.4 | 109.4 | T271 Y290 | R269-T271 VanDerWaalsContact C-N 3.26Å; R269-T271 PolarHBondContact O-N 3.17Å; R269-Y290 WeakPolarHBondContact O-CD2 3.37Å |
| 270 | K | 93.6 | Very high | 88.1 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -5.6 | 178.2 | -61.9 | -165.2 | 175 | -157.3 | 0 | 113.6 | A268 F287 E288 D289 | A268-K270 PolarHBondContact O-N 3.38Å; K270-F287 WeakPolarHBondContact CB-O 3.47Å; K270-F287 PolarHBondContact O-N 3.28Å; K270-E288 WeakPolarHBondContact CD-O 3.38Å; K270-E288 WeakPolarHBondContact CE-O 3.38Å; K270-E288 PolarHBondContact NZ-O 3.12Å; K270-D289 VanDerWaalsContact CE-OD1 3.27Å; K270-D289 WeakPolarHBondContact CE-OD1 3.31Å; K270-D289 IonicContact NZ-OD1 2.71Å; K270-D289 PolarHBondContact NZ-OD1 2.88Å |
| 271 | T | 92.7 | Very high | 87.5 | Confident | 47 Ų | 47 | 78.3 Ų | 78.3 | 29% | 0.288 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 142.3 | -178.7 | 75.9 | 0 | 0 | 0 | 0 | 112.8 | Y267 A268 R269 F285 I286 | Y267-T271 CarbonylContact C-O 3.59Å; Y267-T271 WeakPolarHBondContact CA-O 2.91Å; Y267-T271 WeakPolarHBondContact CB-O 3.12Å; A268-T271 PolarHBondContact N-O 3.01Å; A268-T271 PolarHBondContact O-N 3.37Å; A268-T271 PolarHBondContact O-OG1 3.03Å; R269-T271 VanDerWaalsContact C-N 3.26Å; R269-T271 PolarHBondContact O-N 3.17Å; T271-F285 CarbonylContact C-O 3.09Å; T271-F285 WeakPolarHBondContact CA-O 3.42Å; T271-F285 WeakPolarHBondContact CB-O 3.25Å; T271-I286 HydrophobicContact CG2-CG1 4.3Å |
| 272 | F | 94.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.6 | 167.9 | 179.2 | -120 | 0 | 0 | 0 | 108.1 | L235 I242 L265 T266 I274 H284 F285 F287 L296 W297 | L235-F272 HydrophobicContact CD2-CD1 3.96Å; L235-F272 HydrophobicContact CD2-CE1 4.09Å; I242-F272 HydrophobicContact CD1-CZ 4.49Å; L265-F272 HydrophobicContact CD2-CZ 4.03Å; T266-F272 WeakPolarHBondContact O-CD2 3.14Å; F272-I274 HydrophobicContact CD1-CG1 4.3Å; F272-I274 HydrophobicContact CE1-CD1 3.99Å; F272-I274 HydrophobicContact CE1-CG1 3.71Å; F272-I274 HydrophobicContact CZ-CG1 4.2Å; F272-H284 WeakPolarHBondContact O-CA 3.46Å; F272-F285 HydrophobicContact CD1-CD2 4.36Å; F272-F285 PolarHBondContact N-O 2.88Å; F272-F285 PolarHBondContact O-N 3.3Å; F272-F287 HydrophobicContact CB-CD2 4.13Å; F272-F287 HydrophobicContact CB-CE2 3.73Å; F272-F287 HydrophobicContact CD1-CE2 4.47Å; F272-F287 HydrophobicContact CG-CE2 4.44Å; F272-L296 HydrophobicContact CD1-CD2 3.63Å; F272-L296 HydrophobicContact CD1-CG 4.36Å; F272-L296 HydrophobicContact CE1-CD2 3.79Å; F272-L296 HydrophobicContact CE1-CG 4.18Å; F272-L296 HydrophobicContact CE2-CG 4.43Å; F272-L296 HydrophobicContact CG-CD2 4.03Å; F272-L296 HydrophobicContact CZ-CD2 4.31Å; F272-L296 HydrophobicContact CZ-CG 4.21Å; F272-W297 HydrophobicContact CD2-CB 4.11Å; F272-W297 HydrophobicContact CE2-CB 3.96Å |
| 273 | T | 93.2 | Very high | 87.2 | Confident | 15 Ų | 15 | 78.3 Ų | 78.3 | 9% | 0.092 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 118.8 | -171.1 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | T266 V283 H284 | T266-T273 PolarHBondContact N-O 2.51Å; T266-T273 PolarHBondContact O-N 3.43Å; T266-T273 WeakPolarHBondContact OG1-CB 3.16Å; T266-T273 PolarHBondContact OG1-O 3.03Å; T273-V283 WeakPolarHBondContact CA-O 3.41Å; T273-H284 VanDerWaalsContact CG2-CE1 3.46Å; T273-H284 WeakPolarHBondContact CG2-CE1 3.47Å; T273-H284 WeakPolarHBondContact CG2-ND1 3.17Å; T273-H284 PolarHBondContact OG1-ND1 2.96Å |
| 274 | I | 94.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.2 | 178.8 | -51.9 | 174.7 | 0 | 0 | 0 | 107.9 | I242 L257 I262 L265 F272 L276 S282 V283 F285 | I242-I274 HydrophobicContact CD1-CD1 3.96Å; I242-I274 HydrophobicContact CD1-CG1 4.5Å; I242-I274 HydrophobicContact CG2-CD1 4.16Å; L257-I274 HydrophobicContact CD1-CD1 3.99Å; L257-I274 HydrophobicContact CD1-CG2 4.2Å; I262-I274 HydrophobicContact CD1-CG2 4.35Å; I262-I274 HydrophobicContact CG1-CG2 4.02Å; I262-I274 HydrophobicContact CG2-CG2 4.17Å; L265-I274 HydrophobicContact CD2-CB 4.14Å; L265-I274 HydrophobicContact CD2-CG1 3.89Å; L265-I274 HydrophobicContact CD2-CG2 3.88Å; F272-I274 HydrophobicContact CD1-CG1 4.3Å; F272-I274 HydrophobicContact CE1-CD1 3.99Å; F272-I274 HydrophobicContact CE1-CG1 3.71Å; F272-I274 HydrophobicContact CZ-CG1 4.2Å; I274-L276 HydrophobicContact CG2-CD2 4.12Å; I274-S282 CarbonylContact O-C 3.57Å; I274-S282 VanDerWaalsContact O-CA 3.25Å; I274-S282 WeakPolarHBondContact O-CA 3.44Å; I274-V283 HydrophobicContact CB-CB 4.42Å; I274-V283 PolarHBondContact N-O 3.4Å; I274-V283 PolarHBondContact O-N 3.11Å; I274-F285 HydrophobicContact CD1-CE2 4.07Å |
| 275 | Q | 91.4 | Very high | 87.3 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.3 | 172.3 | -64.2 | 179.1 | 39.9 | 0 | 0 | 109.8 | K263 D264 | K263-Q275 HydrophobicContact CB-CB 4.22Å; K263-Q275 PolarHBondContact N-O 2.83Å; D264-Q275 HydrophobicContact CB-CB 4.23Å; D264-Q275 HydrophobicContact CB-CG 4.41Å; D264-Q275 PolarHBondContact O-N 2.68Å; D264-Q275 PolarHBondContact OD2-NE2 2.73Å |
| 276 | L | 90.2 | Very high | 87.2 | Confident | 20 Ų | 20 | 73.5 Ų | 73.5 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.1 | -179 | -61.6 | 178.5 | 0 | 0 | 0 | 112.4 | L257 H261 I262 I274 R279 V283 | L257-L276 HydrophobicContact CD1-CD2 4.17Å; L257-L276 HydrophobicContact CD2-CD1 4.23Å; L257-L276 HydrophobicContact CD2-CD2 4.01Å; H261-L276 CarbonylContact O-C 2.99Å; H261-L276 WeakPolarHBondContact O-CA 3.41Å; I262-L276 HydrophobicContact CG1-CD2 4.49Å; I274-L276 HydrophobicContact CG2-CD2 4.12Å; L276-R279 HydrophobicContact CB-CB 4.47Å; L276-V283 HydrophobicContact CD1-CG2 4.18Å |
| 277 | L | 87.3 | Confident | 87.2 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 51% | 0.508 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -52.7 | -179.8 | -77.1 | 163.9 | 0 | 0 | 0 | 112.6 | E260 H261 K263 | E260-L277 VanDerWaalsContact O-CD1 3.29Å; E260-L277 WeakPolarHBondContact O-CD1 3.3Å; H261-L277 PolarHBondContact O-N 3.22Å; K263-L277 HydrophobicContact CB-CD2 3.73Å; K263-L277 HydrophobicContact CB-CG 3.81Å; K263-L277 HydrophobicContact CD-CD2 4.39Å; K263-L277 HydrophobicContact CG-CD2 3.82Å; K263-L277 HydrophobicContact CG-CG 4.46Å |
| 278 | K | 73.8 | Confident | 87 | Confident | 183 Ų | 183 | 76.5 Ų | 76.5 | 80% | 0.796 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 7.1 | -169 | -68.3 | -171.8 | 174.3 | -177.8 | 0 | 115.8 | ||
| 279 | R | 63.2 | Low | 86.8 | Confident | 191 Ų | 191 | 77.9 Ų | 77.9 | 72% | 0.721 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135 | -15.5 | -170.6 | -74.4 | -173.8 | 172.1 | 176.6 | -2.7 | 116.9 | L276 K281 | L276-R279 HydrophobicContact CB-CB 4.47Å; R279-K281 HydrophobicContact CB-CB 4.38Å; R279-K281 PolarHBondContact O-N 2.88Å |
| 280 | G | 61.9 | Low | 86.9 | Confident | 74 Ų | 74 | 72.2 Ų | 72.2 | 76% | 0.763 | 36% | 0.359 | S | S | * | . | trans | 67.8 | -33.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | S282 | G280-S282 PolarHBondContact O-N 3.18Š| ||
| 281 | K | 77.5 | Confident | 86.7 | Confident | 158 Ų | 158 | 71.9 Ų | 71.9 | 69% | 0.687 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 121.2 | 171.8 | -61.6 | -179.3 | -177.9 | -173.8 | 0 | 110.6 | R279 | R279-K281 HydrophobicContact CB-CB 4.38Å; R279-K281 PolarHBondContact O-N 2.88Å |
| 282 | S | 85.3 | Confident | 86.7 | Confident | 50 Ų | 50 | 72 Ų | 72 | 35% | 0.35 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.5 | 163.8 | 44.3 | 0 | 0 | 0 | 0 | 110.2 | I274 G280 H284 | I274-S282 CarbonylContact O-C 3.57Å; I274-S282 VanDerWaalsContact O-CA 3.25Å; I274-S282 WeakPolarHBondContact O-CA 3.44Å; G280-S282 PolarHBondContact O-N 3.18Å; S282-H284 PolarHBondContact OG-CE1 2.79Å; S282-H284 VanDerWaalsContact OG-CE1 3.32Å; S282-H284 PolarHBondContact OG-NE2 3.1Å |
| 283 | V | 87.6 | Confident | 86.6 | Confident | 43 Ų | 43 | 72 Ų | 72 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.3 | 175.2 | -164.3 | 0 | 0 | 0 | 0 | 108.3 | I244 L257 T273 I274 L276 F285 | I244-V283 HydrophobicContact CD1-CG1 4.41Å; L257-V283 HydrophobicContact CD1-CG2 4.44Å; T273-V283 WeakPolarHBondContact CA-O 3.41Å; I274-V283 HydrophobicContact CB-CB 4.42Å; I274-V283 PolarHBondContact N-O 3.4Å; I274-V283 PolarHBondContact O-N 3.11Å; L276-V283 HydrophobicContact CD1-CG2 4.18Å; V283-F285 HydrophobicContact CB-CE2 4.12Å; V283-F285 HydrophobicContact CG1-CD2 4.34Å; V283-F285 HydrophobicContact CG1-CE2 3.41Å; V283-F285 VanDerWaalsContact CG1-CE2 3.41Å; V283-F285 HydrophobicContact CG1-CZ 3.56Å |
| 284 | H | 90.6 | Very high | 86.6 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 33% | 0.329 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.4 | -174.1 | -57.5 | -77.7 | 0 | 0 | 0 | 111.1 | C228 F272 T273 S282 | C228-H284 HydrophobicContact CB-CB 4.29Å; C228-H284 PolarHBondContact N-O 3.02Å; F272-H284 WeakPolarHBondContact O-CA 3.46Å; T273-H284 VanDerWaalsContact CG2-CE1 3.46Å; T273-H284 WeakPolarHBondContact CG2-CE1 3.47Å; T273-H284 WeakPolarHBondContact CG2-ND1 3.17Å; T273-H284 PolarHBondContact OG1-ND1 2.96Å; S282-H284 PolarHBondContact OG-CE1 2.79Å; S282-H284 VanDerWaalsContact OG-CE1 3.32Å; S282-H284 PolarHBondContact OG-NE2 3.1Å |
| 285 | F | 92 | Very high | 86.6 | Confident | 3 Ų | 3 | 75.9 Ų | 75.9 | 1% | 0.013 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 148.5 | 176.4 | -61.7 | -84.7 | 0 | 0 | 0 | 110.6 | M226 T227 A233 L235 I244 T271 F272 I274 V283 F287 | M226-F285 CarbonylContact O-C 2.9Å; M226-F285 WeakPolarHBondContact O-CA 3.38Å; T227-F285 HydrophobicContact CG2-CE1 4.33Å; A233-F285 HydrophobicContact CB-CD1 4.42Å; A233-F285 HydrophobicContact CB-CE1 4.11Å; L235-F285 HydrophobicContact CD1-CD1 3.76Å; L235-F285 HydrophobicContact CD1-CE1 3.99Å; L235-F285 HydrophobicContact CD1-CG 4.08Å; L235-F285 HydrophobicContact CD2-CD1 4.31Å; L235-F285 HydrophobicContact CD2-CD2 3.69Å; L235-F285 HydrophobicContact CD2-CE1 4.46Å; L235-F285 HydrophobicContact CD2-CE2 3.86Å; L235-F285 HydrophobicContact CD2-CG 3.92Å; L235-F285 HydrophobicContact CD2-CZ 4.25Å; L235-F285 HydrophobicContact CG-CD1 4.39Å; L235-F285 HydrophobicContact CG-CE1 4.32Å; L235-F285 HydrophobicContact CG-CE2 4.45Å; L235-F285 HydrophobicContact CG-CG 4.48Å; L235-F285 HydrophobicContact CG-CZ 4.35Å; I244-F285 HydrophobicContact CB-CZ 4.38Å; I244-F285 HydrophobicContact CD1-CE2 4.1Å; I244-F285 HydrophobicContact CD1-CZ 3.66Å; I244-F285 HydrophobicContact CG1-CE2 4.34Å; I244-F285 HydrophobicContact CG1-CZ 3.73Å; I244-F285 HydrophobicContact CG2-CE1 3.85Å; I244-F285 HydrophobicContact CG2-CZ 3.7Å; T271-F285 CarbonylContact C-O 3.09Å; T271-F285 WeakPolarHBondContact CA-O 3.42Å; T271-F285 WeakPolarHBondContact CB-O 3.25Å; F272-F285 HydrophobicContact CD1-CD2 4.36Å; F272-F285 PolarHBondContact N-O 2.88Å; F272-F285 PolarHBondContact O-N 3.3Å; I274-F285 HydrophobicContact CD1-CE2 4.07Å; V283-F285 HydrophobicContact CB-CE2 4.12Å; V283-F285 HydrophobicContact CG1-CD2 4.34Å; V283-F285 HydrophobicContact CG1-CE2 3.41Å; V283-F285 VanDerWaalsContact CG1-CE2 3.41Å; V283-F285 HydrophobicContact CG1-CZ 3.56Å; F285-F287 HydrophobicContact CB-CE2 3.87Å |
| 286 | I | 92.5 | Very high | 86.7 | Confident | 53 Ų | 53 | 72.9 Ų | 72.9 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.3 | -178.7 | -49.7 | 179.3 | 0 | 0 | 0 | 107.7 | M226 T271 | M226-I286 HydrophobicContact CB-CB 4.47Å; M226-I286 PolarHBondContact N-O 2.82Å; M226-I286 PolarHBondContact O-N 2.74Å; T271-I286 HydrophobicContact CG2-CG1 4.3Å |
| 287 | F | 92.9 | Very high | 86.9 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | trans | -95.3 | 160.9 | 178.2 | -73.4 | -92.7 | 0 | 0 | 0 | 111.4 | F223 T224 L235 K270 F272 F285 D289 A293 L296 | F223-F287 HydrophobicContact CB-CE1 4.27Å; T224-F287 WeakPolarHBondContact O-CD1 3.2Å; T224-F287 WeakPolarHBondContact O-CE1 3.44Å; L235-F287 HydrophobicContact CD1-CZ 4.08Å; L235-F287 HydrophobicContact CD2-CZ 4.28Å; K270-F287 WeakPolarHBondContact CB-O 3.47Å; K270-F287 PolarHBondContact O-N 3.28Å; F272-F287 HydrophobicContact CB-CD2 4.13Å; F272-F287 HydrophobicContact CB-CE2 3.73Å; F272-F287 HydrophobicContact CD1-CE2 4.47Å; F272-F287 HydrophobicContact CG-CE2 4.44Å; F285-F287 HydrophobicContact CB-CE2 3.87Å; F287-D289 PolarHBondContact O-N 3.38Å; F287-A293 HydrophobicContact CB-CB 4.12Å; F287-A293 HydrophobicContact CD2-CB 3.97Å; F287-A293 HydrophobicContact CG-CB 4.23Å; F287-L296 HydrophobicContact CE1-CD2 4.06Å; F287-L296 HydrophobicContact CE2-CD2 3.72Å; F287-L296 HydrophobicContact CZ-CD2 3.29Å | ||
| 288 | E | 89.2 | Confident | 87.2 | Confident | 165 Ų | 165 | 71.9 Ų | 71.9 | 77% | 0.771 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -55.8 | -34.5 | 173.5 | -64.8 | -164.3 | 150.2 | 0 | 0 | 112.3 | K270 | K270-E288 WeakPolarHBondContact CD-O 3.38Å; K270-E288 WeakPolarHBondContact CE-O 3.38Å; K270-E288 PolarHBondContact NZ-O 3.12Å |
| 289 | D | 88.1 | Confident | 88.2 | Confident | 88 Ų | 88 | 63.6 Ų | 63.6 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | trans | -145.4 | 157.1 | -177.5 | -109.2 | -15.6 | 0 | 0 | 0 | 116.5 | K270 F287 E291 S292 A293 | K270-D289 VanDerWaalsContact CE-OD1 3.27Å; K270-D289 WeakPolarHBondContact CE-OD1 3.31Å; K270-D289 IonicContact NZ-OD1 2.71Å; K270-D289 PolarHBondContact NZ-OD1 2.88Å; F287-D289 PolarHBondContact O-N 3.38Å; D289-E291 VanDerWaalsContact C-N 3.29Å; D289-E291 PolarHBondContact O-N 2.72Å; D289-S292 PolarHBondContact O-N 3.2Å; D289-A293 PolarHBondContact O-N 2.97Å | ||
| 290 | Y | 92.3 | Very high | 89.7 | Confident | 97 Ų | 97 | 54.5 Ų | 54.5 | 38% | 0.38 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -36.3 | 177.4 | 167.1 | -103.8 | 0 | 0 | 0 | 112 | Y267 R269 S292 R294 | Y267-Y290 HydrophobicContact CD2-CE2 4.2Å; Y267-Y290 HydrophobicContact CE2-CD2 4.49Å; Y267-Y290 AromaticContact CE2-CE2 3.66Å; Y267-Y290 HydrophobicContact CE2-CE2 3.66Å; R269-Y290 WeakPolarHBondContact O-CD2 3.37Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; Y290-R294 WeakPolarHBondContact O-CB 3.31Å; Y290-R294 PolarHBondContact O-N 2.92Å |
| 291 | E | 90.7 | Very high | 91.1 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 39% | 0.388 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.6 | -32.9 | 179 | -57.3 | -139.5 | 130.5 | 0 | 0 | 111.2 | K88 Y89 D289 Y295 | K88-E291 IonicContact NZ-OE1 2.67Å; K88-E291 PolarHBondContact NZ-OE1 2.97Å; K88-E291 IonicContact NZ-OE2 2.68Å; K88-E291 PolarHBondContact NZ-OE2 2.83Å; Y89-E291 WeakPolarHBondContact CE1-OE2 3.38Å; D289-E291 VanDerWaalsContact C-N 3.29Å; D289-E291 PolarHBondContact O-N 2.72Å; E291-Y295 WeakPolarHBondContact O-CB 3.39Å; E291-Y295 PolarHBondContact O-N 3.28Å |
| 292 | S | 91.5 | Very high | 91.9 | Very high | 50 Ų | 50 | 47.9 Ų | 47.9 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.4 | -52 | 174.7 | -47.8 | 0 | 0 | 0 | 0 | 112.6 | D289 Y290 R294 Y295 L296 | D289-S292 PolarHBondContact O-N 3.2Å; Y290-S292 VanDerWaalsContact C-N 3.34Å; S292-R294 VanDerWaalsContact C-N 3.25Å; S292-R294 PolarHBondContact O-N 3.14Å; S292-Y295 PolarHBondContact O-N 2.81Å; S292-Y295 VanDerWaalsContact O-N 3.1Å; S292-L296 PolarHBondContact O-N 3.22Å |
| 293 | A | 93.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F287 D289 W297 | F287-A293 HydrophobicContact CB-CB 4.12Å; F287-A293 HydrophobicContact CD2-CB 3.97Å; F287-A293 HydrophobicContact CG-CB 4.23Å; D289-A293 PolarHBondContact O-N 2.97Å; A293-W297 WeakPolarHBondContact O-CB 3.16Å; A293-W297 PolarHBondContact O-N 3.1Å; A293-W297 VanDerWaalsContact O-N 3.1Å |
| 294 | R | 93.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 47.1 Ų | 47.1 | 28% | 0.283 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -68.8 | -41 | 174.8 | -177 | 176.4 | -168.8 | -145.5 | 1.7 | 112.7 | Y267 Y290 S292 W297 Q298 | Y267-R294 HydrophobicContact CD2-CB 3.84Å; Y267-R294 HydrophobicContact CD2-CG 4.24Å; Y267-R294 HydrophobicContact CE2-CB 3.53Å; Y267-R294 HydrophobicContact CE2-CG 3.5Å; Y267-R294 VanDerWaalsContact CE2-CG 3.5Å; Y267-R294 PolarHBondContact OH-NE 3.29Å; Y290-R294 WeakPolarHBondContact O-CB 3.31Å; Y290-R294 PolarHBondContact O-N 2.92Å; S292-R294 VanDerWaalsContact C-N 3.25Å; S292-R294 PolarHBondContact O-N 3.14Å; R294-W297 PolarHBondContact O-N 3.46Å; R294-Q298 WeakPolarHBondContact O-CG 3.39Å; R294-Q298 PolarHBondContact O-N 3.43Å |
| 295 | Y | 93.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 46.3 Ų | 46.3 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62 | -48.2 | 177.5 | 173.6 | -83.7 | 0 | 0 | 0 | 110.1 | K74 C75 F77 F223 E291 S292 W297 Q298 F299 | K74-Y295 HydrophobicContact CB-CE2 3.96Å; K74-Y295 HydrophobicContact CD-CE2 4.44Å; K74-Y295 HydrophobicContact CG-CE2 4.28Å; C75-Y295 VanDerWaalsContact CB-OH 3.32Å; C75-Y295 WeakPolarHBondContact CB-OH 3.3Å; C75-Y295 PolarHBondContact N-OH 2.84Å; F77-Y295 AromaticContact CE2-CD2 3.73Å; F77-Y295 HydrophobicContact CE2-CD2 3.73Å; F77-Y295 AromaticContact CE2-CE2 3.95Å; F77-Y295 HydrophobicContact CE2-CE2 3.95Å; F77-Y295 AromaticContact CZ-CD2 3.47Å; F77-Y295 HydrophobicContact CZ-CD2 3.47Å; F77-Y295 VanDerWaalsContact CZ-CD2 3.47Å; F77-Y295 AromaticContact CZ-CE2 3.66Å; F77-Y295 HydrophobicContact CZ-CE2 3.66Å; F77-Y295 HydrophobicContact CZ-CG 4.14Å; F223-Y295 AromaticContact CE1-CD1 3.78Å; F223-Y295 HydrophobicContact CE1-CD1 3.78Å; F223-Y295 AromaticContact CE1-CE1 3.56Å; F223-Y295 HydrophobicContact CE1-CE1 3.56Å; F223-Y295 HydrophobicContact CZ-CD1 4.31Å; F223-Y295 AromaticContact CZ-CE1 3.8Å; F223-Y295 HydrophobicContact CZ-CE1 3.8Å; E291-Y295 WeakPolarHBondContact O-CB 3.39Å; E291-Y295 PolarHBondContact O-N 3.28Å; S292-Y295 PolarHBondContact O-N 2.81Å; S292-Y295 VanDerWaalsContact O-N 3.1Å; Y295-W297 PolarHBondContact O-N 2.86Å; Y295-Q298 PolarHBondContact O-N 3.03Å; Y295-F299 HydrophobicContact CE1-CB 4.31Å; Y295-F299 WeakPolarHBondContact O-CB 3.05Å; Y295-F299 PolarHBondContact O-N 3.19Å |
| 296 | L | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.2 | -50.5 | 175.4 | 174.2 | 60.1 | 0 | 0 | 0 | 111.6 | F223 L235 V237 F272 F287 S292 Q298 F299 C300 | F223-L296 HydrophobicContact CB-CD1 4.46Å; F223-L296 HydrophobicContact CD1-CD1 4.31Å; F223-L296 HydrophobicContact CD2-CD1 3.56Å; F223-L296 HydrophobicContact CE1-CD1 4.47Å; F223-L296 HydrophobicContact CE2-CD1 3.74Å; F223-L296 HydrophobicContact CG-CD1 3.86Å; F223-L296 HydrophobicContact CZ-CD1 4.19Å; L235-L296 HydrophobicContact CD2-CD2 4.02Å; V237-L296 HydrophobicContact CG2-CD1 3.83Å; F272-L296 HydrophobicContact CD1-CD2 3.63Å; F272-L296 HydrophobicContact CD1-CG 4.36Å; F272-L296 HydrophobicContact CE1-CD2 3.79Å; F272-L296 HydrophobicContact CE1-CG 4.18Å; F272-L296 HydrophobicContact CE2-CG 4.43Å; F272-L296 HydrophobicContact CG-CD2 4.03Å; F272-L296 HydrophobicContact CZ-CD2 4.31Å; F272-L296 HydrophobicContact CZ-CG 4.21Å; F287-L296 HydrophobicContact CE1-CD2 4.06Å; F287-L296 HydrophobicContact CE2-CD2 3.72Å; F287-L296 HydrophobicContact CZ-CD2 3.29Å; S292-L296 PolarHBondContact O-N 3.22Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.09Å; L296-F299 WeakPolarHBondContact O-CB 3.47Å; L296-F299 PolarHBondContact O-N 2.73Å; L296-C300 VanDerWaalsContact CD1-SG 3.59Å; L296-C300 PolarHBondContact O-N 3.27Å; L296-C300 PolarHBondContact O-SG 3.35Å; L296-C300 VanDerWaalsContact O-SG 3.41Å |
| 297 | W | 94.7 | Very high | 92.3 | Very high | 56 Ų | 56 | 45.5 Ų | 45.5 | 21% | 0.212 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -42.5 | 177.4 | 173.7 | 75.6 | 0 | 0 | 0 | 112.8 | L265 Y267 F272 A293 R294 Y295 I301 | L265-W297 PolarHBondContact O-NE1 2.75Å; Y267-W297 HydrophobicContact CD1-CB 3.96Å; Y267-W297 AromaticContact CD1-CD2 3.32Å; Y267-W297 HydrophobicContact CD1-CD2 3.32Å; Y267-W297 AromaticContact CD1-CE2 3.86Å; Y267-W297 AromaticContact CD1-CE3 3.5Å; Y267-W297 HydrophobicContact CD1-CE3 3.5Å; Y267-W297 AromaticContact CD1-CG 3.48Å; Y267-W297 HydrophobicContact CD1-CG 3.48Å; Y267-W297 VanDerWaalsContact CD1-CG 3.48Å; Y267-W297 HydrophobicContact CD1-CZ3 4.23Å; Y267-W297 AromaticContact CE1-CD2 3.48Å; Y267-W297 HydrophobicContact CE1-CD2 3.48Å; Y267-W297 VanDerWaalsContact CE1-CD2 3.48Å; Y267-W297 AromaticContact CE1-CE2 3.99Å; Y267-W297 AromaticContact CE1-CE3 3.15Å; Y267-W297 HydrophobicContact CE1-CE3 3.15Å; Y267-W297 HydrophobicContact CE1-CG 4.14Å; Y267-W297 HydrophobicContact CE1-CH2 4.05Å; Y267-W297 HydrophobicContact CE1-CZ2 4.27Å; Y267-W297 AromaticContact CE1-CZ3 3.48Å; Y267-W297 HydrophobicContact CE1-CZ3 3.48Å; Y267-W297 VanDerWaalsContact CE1-CZ3 3.48Å; Y267-W297 HydrophobicContact CG-CB 4.14Å; Y267-W297 HydrophobicContact CG-CD2 4.33Å; Y267-W297 HydrophobicContact CG-CG 4.14Å; Y267-W297 AromaticContact CZ-CE3 3.92Å; F272-W297 HydrophobicContact CD2-CB 4.11Å; F272-W297 HydrophobicContact CE2-CB 3.96Å; A293-W297 WeakPolarHBondContact O-CB 3.16Å; A293-W297 PolarHBondContact O-N 3.1Å; A293-W297 VanDerWaalsContact O-N 3.1Å; R294-W297 PolarHBondContact O-N 3.46Å; Y295-W297 PolarHBondContact O-N 2.86Å; W297-I301 HydrophobicContact CD2-CD1 4.01Å; W297-I301 HydrophobicContact CH2-CD1 4.07Å; W297-I301 HydrophobicContact CZ2-CD1 3.39Å; W297-I301 WeakPolarHBondContact O-CG1 3.28Å; W297-I301 PolarHBondContact O-N 3.29Å |
| 298 | Q | 93.6 | Very high | 92.2 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 19% | 0.192 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.2 | -28.3 | 177.1 | -63.3 | -165.7 | -56.3 | 0 | 0 | 113 | F77 R294 Y295 L296 Q302 | F77-Q298 HydrophobicContact CD1-CB 3.83Å; F77-Q298 VanDerWaalsContact CE1-C 3.48Å; F77-Q298 HydrophobicContact CE1-CB 3.3Å; F77-Q298 HydrophobicContact CE2-CB 4.48Å; F77-Q298 HydrophobicContact CZ-CB 3.65Å; R294-Q298 WeakPolarHBondContact O-CG 3.39Å; R294-Q298 PolarHBondContact O-N 3.43Å; Y295-Q298 PolarHBondContact O-N 3.03Å; L296-Q298 VanDerWaalsContact C-N 3.28Å; L296-Q298 PolarHBondContact O-N 3.09Å; Q298-Q302 PolarHBondContact O-N 2.82Å; Q298-Q302 VanDerWaalsContact O-N 3.11Å |
| 299 | F | 93.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.1 | -49 | 175.1 | -177.4 | -104 | 0 | 0 | 0 | 110.7 | C75 R221 F223 V237 Y295 L296 I301 Q302 M303 | C75-F299 HydrophobicContact CB-CD2 4.25Å; C75-F299 HydrophobicContact CB-CE2 4.3Å; R221-F299 HydrophobicContact CB-CE1 4.05Å; R221-F299 HydrophobicContact CB-CZ 4.17Å; R221-F299 VanDerWaalsContact CD-CZ 3.47Å; R221-F299 HydrophobicContact CG-CE1 4.33Å; R221-F299 HydrophobicContact CG-CZ 4.39Å; F223-F299 AromaticContact CE2-CD1 3.73Å; F223-F299 HydrophobicContact CE2-CD1 3.73Å; F223-F299 HydrophobicContact CE2-CE1 4.03Å; F223-F299 AromaticContact CZ-CD1 3.79Å; F223-F299 HydrophobicContact CZ-CD1 3.79Å; F223-F299 HydrophobicContact CZ-CE1 4.29Å; F223-F299 HydrophobicContact CZ-CG 4.17Å; V237-F299 HydrophobicContact CB-CD1 4.32Å; V237-F299 HydrophobicContact CB-CE1 4.01Å; V237-F299 HydrophobicContact CG1-CD1 4.15Å; V237-F299 HydrophobicContact CG1-CE1 3.9Å; Y295-F299 HydrophobicContact CE1-CB 4.31Å; Y295-F299 WeakPolarHBondContact O-CB 3.05Å; Y295-F299 PolarHBondContact O-N 3.19Å; L296-F299 WeakPolarHBondContact O-CB 3.47Å; L296-F299 PolarHBondContact O-N 2.73Å; F299-I301 VanDerWaalsContact C-N 3.28Å; F299-I301 PolarHBondContact O-N 2.97Å; F299-Q302 PolarHBondContact O-N 3.19Å; F299-M303 HydrophobicContact CD1-CG 3.97Å; F299-M303 HydrophobicContact CD2-CG 4.47Å; F299-M303 HydrophobicContact CE1-CG 3.52Å; F299-M303 HydrophobicContact CE1-SD 4.09Å; F299-M303 HydrophobicContact CE2-CG 4.08Å; F299-M303 HydrophobicContact CE2-SD 4.08Å; F299-M303 HydrophobicContact CG-CG 4.42Å; F299-M303 HydrophobicContact CZ-CG 3.58Å; F299-M303 HydrophobicContact CZ-SD 3.57Å; F299-M303 VanDerWaalsContact CZ-SD 3.57Å; F299-M303 WeakPolarHBondContact O-CG 3.44Å; F299-M303 PolarHBondContact O-N 3.49Å |
| 300 | C | 94.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -37.9 | 175.8 | -63.2 | 0 | 0 | 0 | 0 | 112.6 | W259 L265 L296 H304 | W259-C300 HydrophobicContact CH2-CB 4.27Å; L265-C300 HydrophobicContact CD1-CB 3.5Å; L296-C300 VanDerWaalsContact CD1-SG 3.59Å; L296-C300 PolarHBondContact O-N 3.27Å; L296-C300 PolarHBondContact O-SG 3.35Å; L296-C300 VanDerWaalsContact O-SG 3.41Å; C300-H304 VanDerWaalsContact O-CB 3.28Å; C300-H304 WeakPolarHBondContact O-CB 3.39Å; C300-H304 PolarHBondContact O-N 2.92Å |
| 301 | I | 93.2 | Very high | 91.9 | Very high | 80 Ų | 80 | 40 Ų | 40 | 41% | 0.41 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.9 | -39.8 | 173.8 | -72.6 | 173.2 | 0 | 0 | 0 | 111.8 | W297 F299 S305 | W297-I301 HydrophobicContact CD2-CD1 4.01Å; W297-I301 HydrophobicContact CH2-CD1 4.07Å; W297-I301 HydrophobicContact CZ2-CD1 3.39Å; W297-I301 WeakPolarHBondContact O-CG1 3.28Å; W297-I301 PolarHBondContact O-N 3.29Å; F299-I301 VanDerWaalsContact C-N 3.28Å; F299-I301 PolarHBondContact O-N 2.97Å; I301-S305 WeakPolarHBondContact O-CB 3.27Å; I301-S305 PolarHBondContact O-N 3.18Å |
| 302 | Q | 93.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 39 Ų | 39 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 177.2 | -169.5 | 163.1 | -74.8 | 0 | 0 | 111.4 | L76 F77 M100 Q298 F299 S305 S306 | L76-Q302 PolarHBondContact O-NE2 3.17Å; F77-Q302 VanDerWaalsContact CA-OE1 3.29Å; M100-Q302 HydrophobicContact CE-CG 4.05Å; M100-Q302 HydrophobicContact SD-CG 3.97Å; M100-Q302 PolarHBondContact SD-NE2 3.35Å; Q298-Q302 PolarHBondContact O-N 2.82Å; Q298-Q302 VanDerWaalsContact O-N 3.11Å; F299-Q302 PolarHBondContact O-N 3.19Å; Q302-S305 PolarHBondContact O-N 3.39Å; Q302-S306 PolarHBondContact O-N 3.46Å |
| 303 | M | 92.5 | Very high | 91.3 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 173.4 | -71.1 | -61.1 | -65.3 | 0 | 0 | 112 | M100 L101 V237 W259 F299 S305 S306 Y307 | M100-M303 HydrophobicContact CG-SD 3.65Å; M100-M303 WeakPolarHBondContact O-CE 3.28Å; M100-M303 VanDerWaalsContact O-SD 3.41Å; L101-M303 HydrophobicContact CD1-CE 4.18Å; V237-M303 HydrophobicContact CG1-CB 4.39Å; V237-M303 HydrophobicContact CG1-CG 4.07Å; W259-M303 HydrophobicContact CZ2-CB 4.28Å; F299-M303 HydrophobicContact CD1-CG 3.97Å; F299-M303 HydrophobicContact CD2-CG 4.47Å; F299-M303 HydrophobicContact CE1-CG 3.52Å; F299-M303 HydrophobicContact CE1-SD 4.09Å; F299-M303 HydrophobicContact CE2-CG 4.08Å; F299-M303 HydrophobicContact CE2-SD 4.08Å; F299-M303 HydrophobicContact CG-CG 4.42Å; F299-M303 HydrophobicContact CZ-CG 3.58Å; F299-M303 HydrophobicContact CZ-SD 3.57Å; F299-M303 VanDerWaalsContact CZ-SD 3.57Å; F299-M303 WeakPolarHBondContact O-CG 3.44Å; F299-M303 PolarHBondContact O-N 3.49Å; M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.86Å; M303-S306 PolarHBondContact O-N 2.77Å; M303-Y307 WeakPolarHBondContact O-CB 3.3Å; M303-Y307 PolarHBondContact O-N 3Å |
| 304 | H | 92.1 | Very high | 90.7 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 33% | 0.333 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.9 | -33 | 178.4 | -173.1 | -139.7 | 0 | 0 | 0 | 112.3 | W259 C300 Y307 I308 | W259-H304 HydrophobicContact CE3-CB 4.12Å; W259-H304 AromaticContact CE3-CD2 3.98Å; W259-H304 HydrophobicContact CH2-CB 4.43Å; W259-H304 HydrophobicContact CZ3-CB 4.06Å; C300-H304 VanDerWaalsContact O-CB 3.28Å; C300-H304 WeakPolarHBondContact O-CB 3.39Å; C300-H304 PolarHBondContact O-N 2.92Å; H304-Y307 PolarHBondContact O-N 3.34Å; H304-I308 VanDerWaalsContact O-CG1 3.29Å; H304-I308 WeakPolarHBondContact O-CG1 3.35Å; H304-I308 PolarHBondContact O-N 3.46Å |
| 305 | S | 91.6 | Very high | 89.9 | Confident | 53 Ų | 53 | 47.7 Ų | 47.7 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 172.1 | -163.6 | 0 | 0 | 0 | 0 | 111.8 | I301 Q302 M303 Y307 I308 D309 | I301-S305 WeakPolarHBondContact O-CB 3.27Å; I301-S305 PolarHBondContact O-N 3.18Å; Q302-S305 PolarHBondContact O-N 3.39Å; M303-S305 VanDerWaalsContact C-N 3.31Å; M303-S305 PolarHBondContact O-N 2.86Å; S305-Y307 VanDerWaalsContact C-N 3.31Å; S305-Y307 PolarHBondContact O-N 3.13Å; S305-I308 PolarHBondContact O-N 3.29Å; S305-D309 PolarHBondContact O-N 3.41Å |
| 306 | S | 90 | Very high | 88.9 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 175.8 | -81.8 | 0 | 0 | 0 | 0 | 112.7 | Y60 M100 Q302 M303 D309 Y310 | Y60-S306 WeakPolarHBondContact O-CB 3.41Å; Y60-S306 PolarHBondContact O-OG 3.15Å; Y60-S306 VanDerWaalsContact O-OG 3.14Å; M100-S306 VanDerWaalsContact CE-OG 3.22Å; M100-S306 WeakPolarHBondContact CE-OG 3.13Å; Q302-S306 PolarHBondContact O-N 3.46Å; M303-S306 PolarHBondContact O-N 2.77Å; S306-D309 PolarHBondContact O-N 3.23Å; S306-Y310 VanDerWaalsContact O-CB 3.3Å; S306-Y310 WeakPolarHBondContact O-CB 3.3Å; S306-Y310 PolarHBondContact O-N 2.9Å |
| 307 | Y | 90.3 | Very high | 87.5 | Confident | 33 Ų | 33 | 53.7 Ų | 53.7 | 13% | 0.129 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61 | -47.1 | 172.2 | 177.2 | -91.5 | 0 | 0 | 0 | 111.6 | R239 W259 M303 H304 S305 W311 | R239-Y307 HydrophobicContact CG-CD2 3.95Å; R239-Y307 HydrophobicContact CG-CE2 4.16Å; R239-Y307 WeakPolarHBondContact O-CD2 2.83Å; R239-Y307 WeakPolarHBondContact O-CE2 3.24Å; W259-Y307 HydrophobicContact CB-CE1 4.29Å; W259-Y307 AromaticContact CD1-CD2 3.81Å; W259-Y307 AromaticContact CD1-CE2 3.73Å; W259-Y307 AromaticContact CD1-CZ 3.93Å; W259-Y307 HydrophobicContact CG-CE1 4.48Å; M303-Y307 WeakPolarHBondContact O-CB 3.3Å; M303-Y307 PolarHBondContact O-N 3Å; H304-Y307 PolarHBondContact O-N 3.34Å; S305-Y307 VanDerWaalsContact C-N 3.31Å; S305-Y307 PolarHBondContact O-N 3.13Å; Y307-W311 AromaticContact CD1-CD1 3.72Å; Y307-W311 AromaticContact CD2-CD1 3.87Å; Y307-W311 AromaticContact CD2-NE1 3.74Å; Y307-W311 AromaticContact CE1-CD1 3.47Å; Y307-W311 VanDerWaalsContact CE1-CD1 3.47Å; Y307-W311 AromaticContact CE1-NE1 3.7Å; Y307-W311 AromaticContact CE2-CD1 3.63Å; Y307-W311 AromaticContact CE2-NE1 3.13Å; Y307-W311 AromaticContact CG-CD1 3.91Å; Y307-W311 AromaticContact CZ-CD1 3.43Å; Y307-W311 VanDerWaalsContact CZ-CD1 3.43Å; Y307-W311 AromaticContact CZ-NE1 3.11Å; Y307-W311 PolarHBondContact O-N 3.11Å; Y307-W311 PolarHBondContact OH-NE1 3.31Å |
| 308 | I | 90.5 | Very high | 84.9 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 175.7 | -69.2 | 164.9 | 0 | 0 | 0 | 110.5 | H304 S305 Y310 W311 T312 | H304-I308 VanDerWaalsContact O-CG1 3.29Å; H304-I308 WeakPolarHBondContact O-CG1 3.35Å; H304-I308 PolarHBondContact O-N 3.46Å; S305-I308 PolarHBondContact O-N 3.29Å; I308-Y310 PolarHBondContact O-N 2.65Å; I308-W311 PolarHBondContact O-N 3.25Å; I308-T312 HydrophobicContact CG2-CG2 4.2Å; I308-T312 WeakPolarHBondContact O-CG2 3.02Å; I308-T312 PolarHBondContact O-N 2.86Å; I308-T312 PolarHBondContact O-OG1 3.19Å |
| 309 | D | 88.7 | Confident | 82.2 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.6 | -51.4 | 178.3 | -72.7 | -6.9 | 0 | 0 | 0 | 110.4 | S305 S306 W311 T312 H313 | S305-D309 PolarHBondContact O-N 3.41Å; S306-D309 PolarHBondContact O-N 3.23Å; D309-W311 PolarHBondContact O-N 3.41Å; D309-T312 PolarHBondContact O-N 3.47Å; D309-T312 PolarHBondContact O-OG1 3.31Å; D309-H313 PolarHBondContact O-N 2.96Å |
| 310 | Y | 88.9 | Confident | 79.4 | Confident | 28 Ų | 28 | 66 Ų | 66 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52 | -53.9 | 173.5 | 167.7 | -92.7 | 0 | 0 | 0 | 112.4 | Y60 F61 L101 I103 R239 S306 I308 T312 H313 V314 | Y60-Y310 HydrophobicContact CD2-CD2 4.17Å; Y60-Y310 AromaticContact CE2-CD2 3.69Å; Y60-Y310 HydrophobicContact CE2-CD2 3.69Å; Y60-Y310 HydrophobicContact CE2-CG 4.4Å; F61-Y310 AromaticContact CE1-CD2 3.72Å; F61-Y310 HydrophobicContact CE1-CD2 3.72Å; F61-Y310 AromaticContact CE1-CE2 3.87Å; F61-Y310 HydrophobicContact CE1-CE2 3.87Å; F61-Y310 HydrophobicContact CZ-CD2 4.01Å; F61-Y310 AromaticContact CZ-CE2 4Å; F61-Y310 HydrophobicContact CZ-CE2 4Å; L101-Y310 HydrophobicContact CD2-CD2 4.44Å; L101-Y310 HydrophobicContact CD2-CG 4.11Å; I103-Y310 HydrophobicContact CG2-CE2 3.93Å; R239-Y310 PolarHBondContact NH2-OH 2.79Å; R239-Y310 VanDerWaalsContact NH2-OH 3.08Å; S306-Y310 VanDerWaalsContact O-CB 3.3Å; S306-Y310 WeakPolarHBondContact O-CB 3.3Å; S306-Y310 PolarHBondContact O-N 2.9Å; I308-Y310 PolarHBondContact O-N 2.65Å; Y310-T312 VanDerWaalsContact C-N 3.32Å; Y310-T312 PolarHBondContact O-N 3.34Å; Y310-H313 WeakPolarHBondContact O-CB 2.97Å; Y310-H313 PolarHBondContact O-N 2.94Å; Y310-H313 VanDerWaalsContact O-N 3.1Å; Y310-V314 HydrophobicContact CD1-CG2 4.48Å; Y310-V314 HydrophobicContact CD2-CG2 4.32Å; Y310-V314 HydrophobicContact CE1-CG2 4.12Å; Y310-V314 HydrophobicContact CE2-CG2 3.94Å; Y310-V314 WeakPolarHBondContact O-CG2 3.34Å; Y310-V314 PolarHBondContact O-N 3.09Å |
| 311 | W | 85.3 | Confident | 76.3 | Confident | 85 Ų | 85 | 71.7 Ų | 71.7 | 32% | 0.322 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -68.9 | -28.3 | -177.9 | -80.2 | 112.2 | 0 | 0 | 0 | 113.3 | Y307 I308 D309 V314 K315 | Y307-W311 AromaticContact CD1-CD1 3.72Å; Y307-W311 AromaticContact CD2-CD1 3.87Å; Y307-W311 AromaticContact CD2-NE1 3.74Å; Y307-W311 AromaticContact CE1-CD1 3.47Å; Y307-W311 VanDerWaalsContact CE1-CD1 3.47Å; Y307-W311 AromaticContact CE1-NE1 3.7Å; Y307-W311 AromaticContact CE2-CD1 3.63Å; Y307-W311 AromaticContact CE2-NE1 3.13Å; Y307-W311 AromaticContact CG-CD1 3.91Å; Y307-W311 AromaticContact CZ-CD1 3.43Å; Y307-W311 VanDerWaalsContact CZ-CD1 3.43Å; Y307-W311 AromaticContact CZ-NE1 3.11Å; Y307-W311 PolarHBondContact O-N 3.11Å; Y307-W311 PolarHBondContact OH-NE1 3.31Å; I308-W311 PolarHBondContact O-N 3.25Å; D309-W311 PolarHBondContact O-N 3.41Å; W311-V314 HydrophobicContact CE3-CG1 4.48Å; W311-K315 VanDerWaalsContact O-CB 3.29Å; W311-K315 WeakPolarHBondContact O-CB 3.39Å; W311-K315 VanDerWaalsContact O-CG 3.22Å; W311-K315 WeakPolarHBondContact O-CG 3.29Å; W311-K315 PolarHBondContact O-N 3.24Å; W311-K315 VanDerWaalsContact O-N 3.1Å |
| 312 | T | 87.5 | Confident | 73.3 | Confident | 62 Ų | 62 | 72 Ų | 72 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71 | -34.9 | 170.4 | 60 | 0 | 0 | 0 | 0 | 111.9 | I308 D309 Y310 S316 P502 | I308-T312 HydrophobicContact CG2-CG2 4.2Å; I308-T312 WeakPolarHBondContact O-CG2 3.02Å; I308-T312 PolarHBondContact O-N 2.86Å; I308-T312 PolarHBondContact O-OG1 3.19Å; D309-T312 PolarHBondContact O-N 3.47Å; D309-T312 PolarHBondContact O-OG1 3.31Å; Y310-T312 VanDerWaalsContact C-N 3.32Å; Y310-T312 PolarHBondContact O-N 3.34Å; T312-S316 WeakPolarHBondContact O-CB 3.18Å; T312-S316 PolarHBondContact O-N 2.96Å; T312-S316 VanDerWaalsContact O-N 3.12Å; T312-S316 PolarHBondContact O-OG 3.47Å; T312-P502 HydrophobicContact CG2-CG 4.19Å |
| 313 | H | 82.4 | Confident | 70.3 | Confident | 75 Ų | 75 | 76.7 Ų | 76.7 | 35% | 0.347 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.1 | -53.6 | 174.8 | -164.4 | -129 | 0 | 0 | 0 | 111.1 | D58 Y60 D309 Y310 K315 S316 V317 | D58-H313 IonicContact OD1-CE1 2.61Å; D58-H313 PolarHBondContact OD1-CE1 2.54Å; D58-H313 IonicContact OD1-ND1 2.72Å; D58-H313 PolarHBondContact OD1-ND1 3Å; Y60-H313 HydrophobicContact CE1-CB 3.94Å; Y60-H313 AromaticContact CE1-CG 3.84Å; Y60-H313 AromaticContact CE1-ND1 3.58Å; Y60-H313 AromaticContact CZ-ND1 3.61Å; Y60-H313 PolarHBondContact OH-ND1 3.07Å; D309-H313 PolarHBondContact O-N 2.96Å; Y310-H313 WeakPolarHBondContact O-CB 2.97Å; Y310-H313 PolarHBondContact O-N 2.94Å; Y310-H313 VanDerWaalsContact O-N 3.1Å; H313-K315 VanDerWaalsContact C-N 3.26Å; H313-K315 PolarHBondContact O-N 2.97Å; H313-S316 WeakPolarHBondContact CA-OG 3.36Å; H313-S316 WeakPolarHBondContact O-CA 3.37Å; H313-S316 PolarHBondContact O-N 2.57Å; H313-S316 PolarHBondContact O-OG 3.07Å; H313-V317 PolarHBondContact O-N 2.81Å |
| 314 | V | 80.4 | Confident | 67.2 | Low | 65 Ų | 65 | 84 Ų | 84 | 39% | 0.394 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.5 | -36.8 | 178.1 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | Y310 W311 S316 | Y310-V314 HydrophobicContact CD1-CG2 4.48Å; Y310-V314 HydrophobicContact CD2-CG2 4.32Å; Y310-V314 HydrophobicContact CE1-CG2 4.12Å; Y310-V314 HydrophobicContact CE2-CG2 3.94Å; Y310-V314 WeakPolarHBondContact O-CG2 3.34Å; Y310-V314 PolarHBondContact O-N 3.09Å; W311-V314 HydrophobicContact CE3-CG1 4.48Å; V314-S316 VanDerWaalsContact C-N 3.34Å |
| 315 | K | 78 | Confident | 64.5 | Low | 168 Ų | 168 | 86.7 Ų | 86.7 | 73% | 0.73 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.1 | 174.9 | -70 | 177.9 | 179.7 | -174.4 | 0 | 114.7 | W311 H313 | W311-K315 VanDerWaalsContact O-CB 3.29Å; W311-K315 WeakPolarHBondContact O-CB 3.39Å; W311-K315 VanDerWaalsContact O-CG 3.22Å; W311-K315 WeakPolarHBondContact O-CG 3.29Å; W311-K315 PolarHBondContact O-N 3.24Å; W311-K315 VanDerWaalsContact O-N 3.1Å; H313-K315 VanDerWaalsContact C-N 3.26Å; H313-K315 PolarHBondContact O-N 2.97Å |
| 316 | S | 72.2 | Confident | 61.4 | Low | 81 Ų | 81 | 87.3 Ų | 87.3 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | -23.1 | -179.2 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | T312 H313 V314 | T312-S316 WeakPolarHBondContact O-CB 3.18Å; T312-S316 PolarHBondContact O-N 2.96Å; T312-S316 VanDerWaalsContact O-N 3.12Å; T312-S316 PolarHBondContact O-OG 3.47Å; H313-S316 WeakPolarHBondContact CA-OG 3.36Å; H313-S316 WeakPolarHBondContact O-CA 3.37Å; H313-S316 PolarHBondContact O-N 2.57Å; H313-S316 PolarHBondContact O-OG 3.07Å; V314-S316 VanDerWaalsContact C-N 3.34Å |
| 317 | V | 63.8 | Low | 58.4 | Low | 67 Ų | 67 | 93.6 Ų | 93.6 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | S | Bend | trans | -60.4 | 121.5 | 159.6 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | H313 | H313-V317 PolarHBondContact O-N 2.81Š|
| 318 | P | 39.6 | Very low | 55.3 | Low | 98 Ų | 98 | 97.4 Ų | 97.4 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | trans | -58.8 | 136.8 | 173.2 | 26.8 | -33.3 | 0 | 0 | 0 | 107.4 | Q320 | P318-Q320 PolarHBondContact O-N 3.34Š| ||
| 319 | P | 38.3 | Very low | 52.3 | Low | 124 Ų | 124 | 98.8 Ų | 98.8 | 81% | 0.805 | 56% | 0.558 | S | S | * | * | trans | -56.5 | 111.8 | 179.1 | 24 | -32.9 | 0 | 0 | 0 | 107.5 | ||||
| 320 | Q | 35.4 | Very low | 49.5 | Very low | 142 Ų | 142 | 101.4 Ų | 101.4 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | trans | -57.7 | 130.2 | 170.2 | -65.5 | -167.7 | 8.2 | 0 | 0 | 105.6 | P318 A322 | P318-Q320 PolarHBondContact O-N 3.34Å; Q320-A322 WeakPolarHBondContact O-CA 3.42Å; Q320-A322 PolarHBondContact O-N 2.78Å | ||
| 321 | P | 27.3 | Very low | 46.6 | Very low | 119 Ų | 119 | 107 Ų | 107 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -52.7 | 119.9 | -172.9 | 23.3 | -33.9 | 0 | 0 | 0 | 106.7 | V323 | P321-V323 PolarHBondContact O-N 2.82Š|
| 322 | A | 30.6 | Very low | 43.9 | Very low | 86 Ų | 86 | 110.2 Ų | 110.2 | 71% | 0.711 | 63% | 0.625 | S | S | * | * | trans | -52.9 | 102.2 | -150.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q320 H324 | Q320-A322 WeakPolarHBondContact O-CA 3.42Å; Q320-A322 PolarHBondContact O-N 2.78Å; A322-H324 PolarHBondContact O-N 3.05Å | ||
| 323 | V | 30.3 | Very low | 41.1 | Very low | 112 Ų | 112 | 115.9 Ų | 115.9 | 68% | 0.679 | 64% | 0.639 | S | S | * | * | trans | -63.6 | 101.4 | 161.3 | 178.1 | 0 | 0 | 0 | 0 | 102.2 | P321 I325 | P321-V323 PolarHBondContact O-N 2.82Å; V323-I325 HydrophobicContact CG1-CG1 4.43Å; V323-I325 PolarHBondContact O-N 2.89Å | ||
| 324 | H | 27.6 | Very low | 38.5 | Very low | 158 Ų | 158 | 116 Ų | 116 | 73% | 0.731 | 66% | 0.661 | S | S | * | * | trans | -50.7 | 95.9 | 148.6 | -93.3 | -107.3 | 0 | 0 | 0 | 104.9 | A322 S326 | A322-H324 PolarHBondContact O-N 3.05Å; H324-S326 PolarHBondContact O-N 3.22Å | ||
| 325 | I | 35.3 | Very low | 36 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 67% | 0.667 | 68% | 0.683 | S | S | * | * | trans | -62.9 | 80.6 | 136 | -53.4 | 176.5 | 0 | 0 | 0 | 102.9 | V323 | V323-I325 HydrophobicContact CG1-CG1 4.43Å; V323-I325 PolarHBondContact O-N 2.89Å | ||
| 326 | S | 26.2 | Very low | 33.5 | Very low | 65 Ų | 65 | 120 Ų | 120 | 46% | 0.455 | 69% | 0.687 | S | S | . | * | trans | -50.4 | 167.6 | 160.6 | -46.5 | 0 | 0 | 0 | 0 | 108.4 | H324 | H324-S326 PolarHBondContact O-N 3.22Š| ||
| 327 | E | 27.4 | Very low | 31.3 | Very low | 139 Ų | 139 | 124.6 Ų | 124.6 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -43.7 | 135.6 | 163 | -70 | 97.7 | 153.3 | 0 | 0 | 110.3 | P329 | E327-P329 WeakPolarHBondContact O-CA 3.45Š|
| 328 | P | 25.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.5 | 118.7 | -167.1 | 21.1 | -34.1 | 0 | 0 | 0 | 109.3 | D330 | P328-D330 PolarHBondContact O-N 2.92Å; P328-D330 VanDerWaalsContact O-N 3.09Å |
| 329 | P | 27.2 | Very low | 28.7 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 66% | 0.656 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50 | 107.3 | -132 | 11.8 | -29.8 | 0 | 0 | 0 | 112.7 | E327 I331 | E327-P329 WeakPolarHBondContact O-CA 3.45Å; P329-I331 HydrophobicContact CB-CD1 4.07Å; P329-I331 HydrophobicContact CB-CG1 4.2Å; P329-I331 HydrophobicContact CG-CD1 4.4Å; P329-I331 WeakPolarHBondContact O-CG1 3.36Å; P329-I331 PolarHBondContact O-N 2.83Å |
| 330 | D | 29.1 | Very low | 28.1 | Very low | 113 Ų | 113 | 127.4 Ų | 127.4 | 60% | 0.604 | 70% | 0.703 | S | S | * | * | trans | -70.4 | 69.2 | 179.6 | -98.3 | -39.5 | 0 | 0 | 0 | 111 | P328 L332 R333 | P328-D330 PolarHBondContact O-N 2.92Å; P328-D330 VanDerWaalsContact O-N 3.09Å; D330-L332 PolarHBondContact O-N 2.84Å; D330-R333 PolarHBondContact O-N 2.8Å | ||
| 331 | I | 28.5 | Very low | 27.5 | Very low | 146 Ų | 146 | 130.9 Ų | 130.9 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 9.1 | 177.3 | -67.5 | 156.7 | 0 | 0 | 0 | 111.4 | P329 | P329-I331 HydrophobicContact CB-CD1 4.07Å; P329-I331 HydrophobicContact CB-CG1 4.2Å; P329-I331 HydrophobicContact CG-CD1 4.4Å; P329-I331 WeakPolarHBondContact O-CG1 3.36Å; P329-I331 PolarHBondContact O-N 2.83Å |
| 332 | L | 28.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 129.5 Ų | 129.5 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | 18.1 | -174.1 | -68.1 | 176.9 | 0 | 0 | 0 | 115.3 | D330 | D330-L332 PolarHBondContact O-N 2.84Š|
| 333 | R | 29.2 | Very low | 27.2 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -159.4 | 105.1 | 163.9 | -115.4 | 170.1 | 178.9 | -153.8 | -2.9 | 112.5 | D330 F1074 T1075 | D330-R333 PolarHBondContact O-N 2.8Å; R333-F1074 PolarHBondContact NH2-O 3.28Å; R333-T1075 PolarHBondContact NE-O 3.46Å; R333-T1075 PolarHBondContact NH2-O 3.48Å |
| 334 | G | 26.9 | Very low | 27.5 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 69% | 0.688 | S | S | * | * | trans | 179.4 | -3.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 335 | T | 29.5 | Very low | 27.5 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -141.5 | 97.3 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 336 | E | 23.7 | Very low | 27.2 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 69% | 0.689 | S | S | * | * | trans | -76.5 | 134.3 | 151.2 | -62.6 | -178.6 | 142.8 | 0 | 0 | 108.3 | ||||
| 337 | L | 27.1 | Very low | 27.1 | Very low | 177 Ų | 177 | 126.9 Ų | 126.9 | 93% | 0.927 | 70% | 0.704 | S | S | * | * | trans | -165.4 | 157 | 147.3 | -106.7 | 171.3 | 0 | 0 | 0 | 108.7 | ||||
| 338 | R | 24.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 63% | 0.626 | 70% | 0.703 | S | S | * | * | trans | -77.4 | 151.2 | -165.7 | -65 | 176.3 | 176.8 | 153.1 | -6.2 | 113.7 | H1221 G1222 | R338-H1221 PolarHBondContact NH1-O 2.96Å; R338-G1222 VanDerWaalsContact NH1-C 3.34Å; R338-G1222 PolarHBondContact NH1-O 3.38Å; R338-G1222 PolarHBondContact NH2-O 3.32Å | ||
| 339 | C | 23.7 | Very low | 26.8 | Very low | 107 Ų | 107 | 126.4 Ų | 126.4 | 72% | 0.723 | 70% | 0.7 | S | S | * | * | trans | -148.6 | 143.7 | 142.3 | -156.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 340 | T | 25.2 | Very low | 26.5 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 47% | 0.466 | 71% | 0.71 | S | S | . | * | trans | -134.9 | 98 | -171.2 | 30.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 341 | Y | 24.7 | Very low | 26.2 | Very low | 214 Ų | 214 | 130.1 Ų | 130.1 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | 62.1 | 146.6 | 150.9 | -86 | -88 | 0 | 0 | 0 | 121.2 | ||||
| 342 | S | 26.2 | Very low | 26 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | trans | 64.1 | 140.2 | 170.1 | 70.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 343 | G | 25.4 | Very low | 25.7 | Very low | 57 Ų | 57 | 128.2 Ų | 128.2 | 59% | 0.588 | 72% | 0.719 | S | S | * | * | cis | 168.9 | 105.8 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 344 | S | 34.7 | Very low | 25.6 | Very low | 64 Ų | 64 | 126.7 Ų | 126.7 | 45% | 0.448 | 72% | 0.723 | S | S | . | * | trans | -60.6 | 136.7 | 179.1 | -169.2 | 0 | 0 | 0 | 0 | 113.4 | A1214 | S344-A1214 WeakPolarHBondContact OG-CB 3.36Š| ||
| 345 | P | 28.2 | Very low | 25.6 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | -131.6 | 150 | 101.9 | 36.7 | -26.9 | 0 | 0 | 0 | 111.9 | |||||
| 346 | V | 29.4 | Very low | 25.4 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 67% | 0.673 | 72% | 0.716 | S | S | * | * | cis | 75.7 | 121.5 | 47.8 | 174.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 347 | L | 23.4 | Very low | 25.5 | Very low | 149 Ų | 149 | 123 Ų | 123 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | trans | 98.5 | 147 | 165.2 | -76.7 | 162.9 | 0 | 0 | 0 | 121.2 | ||||
| 348 | N | 24.1 | Very low | 25.4 | Very low | 118 Ų | 118 | 122.4 Ų | 122.4 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | trans | 76.8 | 131 | 155.3 | -71.7 | 24.1 | 0 | 0 | 0 | 123.4 | ||||
| 349 | D | 22.7 | Very low | 25.6 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 66% | 0.663 | 71% | 0.707 | S | S | * | * | 52.8 | 131.6 | 127.9 | -48.8 | -31.3 | 0 | 0 | 0 | 120.5 | |||||
| 350 | F | 21.3 | Very low | 26 | Very low | 195 Ų | 195 | 122.4 Ų | 122.4 | 86% | 0.855 | 70% | 0.702 | S | S | * | * | 62.1 | 105.6 | 62.1 | -90.3 | -73.7 | 0 | 0 | 0 | 115 | |||||
| 351 | A | 23 | Very low | 26 | Very low | 97 Ų | 97 | 123.5 Ų | 123.5 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | 67.5 | 140 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 352 | A | 24 | Very low | 26 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | trans | 64 | 145 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 353 | E | 24 | Very low | 25.9 | Very low | 166 Ų | 166 | 119.8 Ų | 119.8 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | cis | -161.5 | 145 | -18.9 | -113.9 | -179.6 | -179.5 | 0 | 0 | 107.4 | ||||
| 354 | L | 25.5 | Very low | 25.8 | Very low | 150 Ų | 150 | 126 Ų | 126 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | 55.8 | 157.9 | 155.2 | -83.8 | 60 | 0 | 0 | 0 | 119.9 | ||||
| 355 | S | 27.1 | Very low | 25.3 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | cis | -170.8 | 112.2 | -36.2 | 48.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 356 | T | 25.1 | Very low | 25.2 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | -141.8 | 82.8 | 144.6 | 41.1 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 357 | S | 25.7 | Very low | 25 | Very low | 85 Ų | 85 | 131.9 Ų | 131.9 | 59% | 0.594 | 70% | 0.703 | S | S | * | * | 53.1 | 92.6 | 73 | -163.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 358 | Q | 25.2 | Very low | 25.2 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | trans | 69.7 | 111.4 | 139.8 | -64.2 | 174.2 | 0.9 | 0 | 0 | 118.5 | ||||
| 359 | Q | 28.5 | Very low | 25.4 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | 56.8 | 165.6 | 109.7 | -79 | -166.4 | -20.7 | 0 | 0 | 120.6 | |||||
| 360 | P | 33.6 | Very low | 25.7 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | cis | -139.5 | -171.6 | -35.9 | 38.1 | -20.8 | 0 | 0 | 0 | 113.3 | ||||
| 361 | S | 23.7 | Very low | 26.6 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | trans | 80.5 | 151.4 | 140.8 | -69.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 362 | Q | 24.7 | Very low | 26.9 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | trans | 70.6 | 116.4 | 153.9 | -73.8 | 174.6 | 16.6 | 0 | 0 | 120.1 | K897 | Q362-K897 VanDerWaalsContact C-NZ 3.28Å; Q362-K897 PolarHBondContact O-NZ 2.84Å | ||
| 363 | Q | 23.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 45% | 0.449 | 68% | 0.683 | S | S | . | * | 69.8 | 172.6 | 121.1 | -60.2 | 178.8 | -8.9 | 0 | 0 | 122.2 | E896 K897 | Q363-E896 PolarHBondContact N-OE1 2.81Å; Q363-E896 VanDerWaalsContact N-OE1 3.11Å; Q363-K897 PolarHBondContact O-NZ 2.8Å | |||
| 364 | Y | 24.2 | Very low | 27.3 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 73% | 0.729 | 67% | 0.674 | S | S | * | * | trans | 59.9 | 86.7 | 153.8 | -74.4 | -65.3 | 0 | 0 | 0 | 122.2 | ||||
| 365 | T | 24.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 124.3 Ų | 124.3 | 66% | 0.656 | 65% | 0.65 | S | S | * | * | 76.6 | 118.7 | 109.6 | 51.2 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 366 | K | 26.1 | Very low | 27.3 | Very low | 147 Ų | 147 | 123 Ų | 123 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | 88.7 | 138.2 | 98 | -163.5 | -125.5 | -159.7 | -160.1 | 0 | 119.4 | |||||
| 367 | Y | 25.8 | Very low | 27.3 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 63% | 0.627 | 63% | 0.625 | S | S | * | * | trans | 84.6 | 113.4 | 162.8 | -74 | -172.9 | 0 | 0 | 0 | 119.5 | ||||
| 368 | D | 26.6 | Very low | 27.2 | Very low | 118 Ų | 118 | 126 Ų | 126 | 63% | 0.631 | 63% | 0.629 | S | S | * | * | 51.9 | 147.3 | 96.4 | -39.3 | -9.5 | 0 | 0 | 0 | 117.4 | |||||
| 369 | M | 27.7 | Very low | 27.1 | Very low | 165 Ų | 165 | 120 Ų | 120 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | cis | -133.7 | 138.4 | 23.3 | -74.8 | 175 | 171.6 | 0 | 0 | 114.4 | ||||
| 370 | E | 29 | Very low | 27.1 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | 27 | 153.8 | 105.4 | -82.4 | -82.9 | 99.5 | 0 | 0 | 120.8 | |||||
| 371 | P | 40.9 | Very low | 26.6 | Very low | 76 Ų | 76 | 115.4 Ų | 115.4 | 49% | 0.494 | 58% | 0.578 | S | S | . | * | trans | -97.8 | -170.6 | -169.7 | 43 | -39.4 | 0 | 0 | 0 | 113.7 | N373 | P371-N373 WeakPolarHBondContact CG-OD1 3.21Š| ||
| 372 | V | 29.7 | Very low | 26.7 | Very low | 147 Ų | 147 | 114.7 Ų | 114.7 | 89% | 0.891 | 57% | 0.567 | S | S | * | * | trans | -129.4 | 76.6 | 154.8 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 373 | N | 27.7 | Very low | 26.8 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | 25.5 | 117.4 | 118.3 | -73.8 | 12.3 | 0 | 0 | 0 | 120.2 | P371 V1019 | P371-N373 WeakPolarHBondContact CG-OD1 3.21Å; N373-V1019 PolarHBondContact ND2-O 2.88Å | |||
| 374 | D | 27.6 | Very low | 27.3 | Very low | 110 Ų | 110 | 111.1 Ų | 111.1 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | 72.9 | 152.3 | 108 | -100.5 | -25.2 | 0 | 0 | 0 | 125.3 | |||||
| 375 | E | 25.3 | Very low | 27.7 | Very low | 61 Ų | 61 | 109.5 Ų | 109.5 | 29% | 0.285 | 57% | 0.566 | S | S | . | * | trans | 65 | 105.2 | 147 | -67.4 | -152.2 | 108.7 | 0 | 0 | 125.4 | L1021 | E375-L1021 PolarHBondContact OE2-N 3.23Š| ||
| 376 | S | 28.3 | Very low | 28.1 | Very low | 61 Ų | 61 | 107.9 Ų | 107.9 | 43% | 0.427 | 56% | 0.558 | S | S | . | * | 64.7 | 91.7 | 110.3 | -51.6 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 377 | Q | 25.4 | Very low | 28.3 | Very low | 114 Ų | 114 | 108.6 Ų | 108.6 | 53% | 0.533 | 56% | 0.563 | S | S | . | * | trans | -137.3 | 128.3 | 165.3 | -58.4 | 158.1 | 45 | 0 | 0 | 107.9 | L1023 C1024 | Q377-L1023 PolarHBondContact NE2-O 2.74Å; Q377-L1023 PolarHBondContact OE1-O 3.09Å; Q377-C1024 VanDerWaalsContact OE1-CA 3.29Å | ||
| 378 | R | 22.3 | Very low | 28.5 | Very low | 178 Ų | 178 | 107 Ų | 107 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | cis | 80.6 | 75.7 | 36.4 | -157.9 | -173.1 | -176.1 | -167.3 | 0.5 | 116.7 | N439 C1024 | R378-N439 PolarHBondContact N-O 2.81Å; R378-C1024 PolarHBondContact O-SG 3.27Å | ||
| 379 | T | 23.8 | Very low | 28.6 | Very low | 38 Ų | 38 | 107.5 Ų | 107.5 | 23% | 0.233 | 56% | 0.562 | C | S | . | * | trans | 69.7 | 128.1 | 140.4 | -37.3 | 0 | 0 | 0 | 0 | 119.6 | F440 | T379-F440 HydrophobicContact CG2-CD1 3.48Å; T379-F440 VanDerWaalsContact CG2-CD1 3.48Å; T379-F440 HydrophobicContact CG2-CE1 3.7Å; T379-F440 HydrophobicContact CG2-CG 4.07Å; T379-F440 HydrophobicContact CG2-CZ 4.42Å; T379-F440 WeakPolarHBondContact OG1-CD1 3.36Å; T379-F440 WeakPolarHBondContact OG1-CD2 3.25Å; T379-F440 WeakPolarHBondContact OG1-CE1 2.99Å; T379-F440 WeakPolarHBondContact OG1-CE2 3.03Å; T379-F440 WeakPolarHBondContact OG1-CG 3.46Å | ||
| 380 | Q | 27.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 101.5 Ų | 101.5 | 54% | 0.537 | 54% | 0.543 | S | S | . | . | trans | 63.3 | 165.7 | 169.1 | -86.7 | -177.9 | 1 | 0 | 0 | 115.9 | Q442 | Q380-Q442 VanDerWaalsContact CG-OE1 3.26Š| ||
| 381 | P | 24.5 | Very low | 28.7 | Very low | 61 Ų | 61 | 93.8 Ų | 93.8 | 40% | 0.396 | 51% | 0.509 | S | S | . | . | cis | -122.7 | -171.7 | -33.2 | 36.8 | -22.2 | 0 | 0 | 0 | 110.6 | ||||
| 382 | N | 25.9 | Very low | 27.9 | Very low | 84 Ų | 84 | 95.2 Ų | 95.2 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | trans | 30.9 | 105 | 142.8 | -66.1 | 17.3 | 0 | 0 | 0 | 119.7 | D1028 N1030 | N382-D1028 CarbonylContact O-C 3.56Å; N382-D1028 VanDerWaalsContact O-C 3.25Å; N382-D1028 PolarHBondContact O-N 3.45Å; N382-N1030 PolarHBondContact ND2-OD1 3.46Å | ||
| 383 | N | 26.5 | Very low | 27.9 | Very low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | 90.4 | -147.9 | 107.1 | -125 | 115.7 | 0 | 0 | 0 | 119.4 | D1028 S1029 N1030 | N383-D1028 CarbonylContact C-O 3.59Å; N383-D1028 WeakPolarHBondContact CA-O 3.49Å; N383-D1028 VanDerWaalsContact CB-O 3.23Å; N383-D1028 WeakPolarHBondContact CB-O 3.22Å; N383-S1029 WeakPolarHBondContact CB-O 3.21Å; N383-S1029 PolarHBondContact ND2-O 3Å; N383-N1030 VanDerWaalsContact CG-O 3.22Å; N383-N1030 PolarHBondContact ND2-N 2.85Å; N383-N1030 VanDerWaalsContact ND2-N 3.17Å; N383-N1030 PolarHBondContact ND2-O 3.39Å; N383-N1030 VanDerWaalsContact OD1-C 3.22Å; N383-N1030 PolarHBondContact OD1-O 3.06Å; N383-N1030 VanDerWaalsContact OD1-O 3.05Å | |||
| 384 | A | 33.8 | Very low | 28.2 | Very low | 51 Ų | 51 | 97 Ų | 97 | 42% | 0.421 | 52% | 0.515 | S | S | . | . | trans | 62.5 | 91.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 120 | D1028 S1029 | A384-D1028 WeakPolarHBondContact CA-O 3.21Å; A384-D1028 HydrophobicContact CB-CB 4.24Å; A384-D1028 WeakPolarHBondContact CB-O 3.32Å; A384-D1028 PolarHBondContact N-O 3.19Å; A384-S1029 VanDerWaalsContact CA-O 3.29Å; A384-S1029 WeakPolarHBondContact CA-O 3.35Å; A384-S1029 PolarHBondContact N-O 2.92Å | ||
| 385 | D | 32.6 | Very low | 28.4 | Very low | 153 Ų | 153 | 97.1 Ų | 97.1 | 82% | 0.818 | 52% | 0.521 | S | S | * | . | 61.9 | -167.9 | 122.8 | -122.1 | 11.9 | 0 | 0 | 0 | 116.2 | |||||
| 386 | P | 32.5 | Very low | 28.5 | Very low | 73 Ų | 73 | 98 Ų | 98 | 47% | 0.474 | 53% | 0.534 | S | S | . | . | -132.6 | 167.8 | -94.9 | 38.3 | -19.8 | 0 | 0 | 0 | 117.5 | |||||
| 387 | Q | 30.6 | Very low | 28.4 | Very low | 162 Ų | 162 | 103 Ų | 103 | 76% | 0.757 | 55% | 0.548 | S | S | * | . | trans | 68.9 | 177 | 161.6 | -55.3 | 139.3 | 26.6 | 0 | 0 | 114.6 | ||||
| 388 | H | 29.6 | Very low | 28.4 | Very low | 127 Ų | 127 | 100 Ų | 100 | 59% | 0.588 | 54% | 0.539 | S | S | * | . | cis | -153.5 | 119.7 | 10.7 | -144.6 | -62.9 | 0 | 0 | 0 | 113.1 | L621 | H388-L621 WeakPolarHBondContact O-CD2 3.48Š| ||
| 389 | I | 29.6 | Very low | 28.6 | Very low | 128 Ų | 128 | 96.8 Ų | 96.8 | 66% | 0.656 | 53% | 0.533 | S | S | * | . | trans | 60.6 | 174.9 | 167 | -66.4 | 172.5 | 0 | 0 | 0 | 112.5 | L621 | I389-L621 VanDerWaalsContact C-CD1 3.48Å; I389-L621 HydrophobicContact CB-CD1 3.85Å; I389-L621 HydrophobicContact CG2-CD1 3.53Å | ||
| 390 | G | 29.5 | Very low | 28.8 | Very low | 39 Ų | 39 | 96.1 Ų | 96.1 | 40% | 0.402 | 53% | 0.528 | S | S | . | . | cis | 141.4 | 77.2 | -18.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | H620 S622 | G390-H620 CarbonylContact C-O 3.55Å; G390-H620 WeakPolarHBondContact CA-O 3.39Å; G390-H620 PolarHBondContact N-O 3.46Å; G390-S622 WeakPolarHBondContact O-CB 3.23Å; G390-S622 PolarHBondContact O-OG 2.96Å | ||
| 391 | G | 28.1 | Very low | 29.1 | Very low | 7 Ų | 7 | 93.8 Ų | 93.8 | 7% | 0.072 | 52% | 0.523 | C | S | . | . | trans | 125.5 | -152.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | H620 L621 S622 | G391-H620 VanDerWaalsContact N-C 3.3Å; G391-H620 PolarHBondContact N-O 3.12Å; G391-H620 CarbonylContact O-C 3.46Å; G391-H620 WeakPolarHBondContact O-CA 3.28Å; G391-H620 WeakPolarHBondContact O-CB 3.39Å; G391-H620 PolarHBondContact O-CD2 3.39Å; G391-L621 CarbonylContact O-C 3.28Å; G391-L621 WeakPolarHBondContact O-CA 3.37Å; G391-L621 PolarHBondContact O-N 3.08Å; G391-S622 WeakPolarHBondContact O-CB 3.27Å; G391-S622 PolarHBondContact O-N 2.9Å | ||
| 392 | L | 25.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | cis | 175.6 | 159.1 | -35.4 | -99.4 | 161 | 0 | 0 | 0 | 110.9 | S622 | L392-S622 VanDerWaalsContact N-CB 3.31Š| ||
| 393 | I | 29.8 | Very low | 29.4 | Very low | 125 Ų | 125 | 98.3 Ų | 98.3 | 64% | 0.641 | 53% | 0.533 | S | S | * | . | trans | 67.2 | 112.3 | 152.3 | -70.9 | 157.8 | 0 | 0 | 0 | 116.6 | ||||
| 394 | N | 34.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 95.4 Ų | 95.4 | 77% | 0.77 | 52% | 0.517 | S | S | * | . | cis | 52.7 | 118.9 | 16.9 | -103.9 | 11.1 | 0 | 0 | 0 | 114.4 | ||||
| 395 | P | 31.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 95.1 Ų | 95.1 | 73% | 0.734 | 51% | 0.506 | S | S | * | . | -152.7 | 179.9 | 59.3 | 41.4 | -21.5 | 0 | 0 | 0 | 118 | |||||
| 396 | C | 26.5 | Very low | 29.2 | Very low | 81 Ų | 81 | 88.9 Ų | 88.9 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | trans | -35.9 | 169.5 | 156.8 | -48.3 | 0 | 0 | 0 | 0 | 117.2 | M1959 | C396-M1959 WeakPolarHBondContact CA-O 3.17Å; C396-M1959 VanDerWaalsContact CB-O 3.26Å; C396-M1959 WeakPolarHBondContact CB-O 3.46Å | ||
| 397 | K | 26.2 | Very low | 28.9 | Very low | 166 Ų | 166 | 90 Ų | 90 | 72% | 0.722 | 48% | 0.477 | S | S | * | . | trans | -158.5 | 108.5 | 132.9 | -117.4 | 177.5 | -176.5 | 178.3 | 0 | 117.2 | M1959 N1960 | K397-M1959 PolarHBondContact N-O 3.22Å; K397-M1959 VanDerWaalsContact N-O 3.08Å; K397-N1960 WeakPolarHBondContact O-CB 3.36Å; K397-N1960 PolarHBondContact O-ND2 2.74Å; K397-N1960 VanDerWaalsContact O-ND2 3.1Å | ||
| 398 | S | 25.9 | Very low | 28.8 | Very low | 49 Ų | 49 | 87.2 Ų | 87.2 | 34% | 0.343 | 47% | 0.471 | S | S | . | . | 72.7 | 112.3 | 124.1 | 64.8 | 0 | 0 | 0 | 0 | 121.6 | S1958 M1959 N1960 | S398-S1958 PolarHBondContact N-O 3.31Å; S398-M1959 VanDerWaalsContact C-CB 3.48Å; S398-M1959 VanDerWaalsContact C-SD 3.52Å; S398-N1960 PolarHBondContact O-ND2 2.91Å | |||
| 399 | M | 25.9 | Very low | 28.5 | Very low | 111 Ų | 111 | 87.3 Ų | 87.3 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | 113.3 | 100.2 | 114.7 | -77.3 | 177.8 | 89.5 | 0 | 0 | 122.6 | N1957 S1958 M1959 | M399-N1957 WeakPolarHBondContact CA-OD1 3.29Å; M399-N1957 HydrophobicContact CG-CB 3.98Å; M399-N1957 VanDerWaalsContact CG-OD1 3.31Å; M399-N1957 WeakPolarHBondContact CG-OD1 3.46Å; M399-S1958 WeakPolarHBondContact CA-OG 3.39Å; M399-S1958 PolarHBondContact N-OG 2.97Å; M399-M1959 VanDerWaalsContact C-SD 3.59Å; M399-M1959 PolarHBondContact N-SD 3.43Å | |||
| 400 | D | 29.6 | Very low | 28.2 | Very low | 25 Ų | 25 | 85.4 Ų | 85.4 | 13% | 0.134 | 48% | 0.484 | C | S | . | . | 70.6 | 177.1 | 106.8 | -119.4 | 9.7 | 0 | 0 | 0 | 119.9 | S1735 N1957 | D400-S1735 WeakPolarHBondContact OD1-CB 3.01Å; D400-S1735 PolarHBondContact OD1-OG 3.15Å; D400-N1957 VanDerWaalsContact CB-OD1 3.28Å; D400-N1957 WeakPolarHBondContact CB-OD1 3.22Å; D400-N1957 VanDerWaalsContact CG-ND2 3.29Å; D400-N1957 PolarHBondContact OD1-OD1 3.08Å; D400-N1957 PolarHBondContact OD2-ND2 3.16Å; D400-N1957 PolarHBondContact OD2-OD1 3.12Å | |||
| 401 | P | 33.7 | Very low | 27.9 | Very low | 65 Ų | 65 | 90 Ų | 90 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | cis | -141.4 | 162.1 | -5.3 | 40.5 | -22.1 | 0 | 0 | 0 | 119.8 | S1736 T1737 | P401-S1736 WeakPolarHBondContact CA-OG 3.48Å; P401-T1737 WeakPolarHBondContact O-CG2 3.45Å | ||
| 402 | F | 27.4 | Very low | 27.8 | Very low | 107 Ų | 107 | 95.3 Ų | 95.3 | 47% | 0.469 | 53% | 0.53 | S | S | . | . | trans | 74.9 | 144.2 | 140.5 | -65.5 | -11.1 | 0 | 0 | 0 | 122.6 | T1737 | F402-T1737 WeakPolarHBondContact O-CG2 3.17Š| ||
| 403 | K | 30 | Very low | 27.9 | Very low | 134 Ų | 134 | 95 Ų | 95 | 58% | 0.583 | 54% | 0.536 | S | S | * | . | cis | -167.5 | 143.5 | 1.9 | -120.3 | 171.3 | -171.6 | -81.7 | 0 | 114.5 | ||||
| 404 | I | 29.6 | Very low | 27.8 | Very low | 39 Ų | 39 | 94.5 Ų | 94.5 | 20% | 0.2 | 54% | 0.535 | C | S | . | . | 85.6 | 121.9 | 120.1 | -91.6 | -179.9 | 0 | 0 | 0 | 124.4 | H1952 D1954 | I404-H1952 PolarHBondContact O-CE1 3.07Å; I404-D1954 WeakPolarHBondContact CA-OD2 3.06Å; I404-D1954 PolarHBondContact N-OD2 2.79Å | |||
| 405 | E | 28.4 | Very low | 27.6 | Very low | 44 Ų | 44 | 91.2 Ų | 91.2 | 21% | 0.206 | 52% | 0.518 | C | S | . | . | 55.6 | 153.4 | 123 | -74.9 | 174.7 | -139.8 | 0 | 0 | 125.6 | G1609 H1952 | E405-G1609 WeakPolarHBondContact OE2-CA 3.49Å; E405-H1952 PolarHBondContact N-CE1 3Å; E405-H1952 PolarHBondContact N-ND1 2.93Å | |||
| 406 | S | 29.3 | Very low | 27.4 | Very low | 22 Ų | 22 | 94.4 Ų | 94.4 | 15% | 0.154 | 52% | 0.52 | C | S | . | . | cis | -177.7 | 171.2 | -26.5 | -117.3 | 0 | 0 | 0 | 0 | 117.7 | H1952 | S406-H1952 WeakPolarHBondContact OG-CB 3.06Š| ||
| 407 | N | 26 | Very low | 27.6 | Very low | 97 Ų | 97 | 93 Ų | 93 | 52% | 0.519 | 51% | 0.507 | S | S | . | . | trans | 91.9 | 157.7 | 133.1 | -81.8 | -21.1 | 0 | 0 | 0 | 121.2 | S1951 | N407-S1951 PolarHBondContact N-O 2.75Å; N407-S1951 VanDerWaalsContact N-O 3.14Å | ||
| 408 | T | 28.6 | Very low | 27.5 | Very low | 103 Ų | 103 | 92.8 Ų | 92.8 | 63% | 0.632 | 51% | 0.506 | S | S | * | . | cis | 174.8 | -178 | -33.2 | -92.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 409 | T | 23.6 | Very low | 27.5 | Very low | 129 Ų | 129 | 99.9 Ų | 99.9 | 79% | 0.791 | 53% | 0.525 | S | S | * | . | trans | 98.7 | 135.5 | 177.8 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 410 | A | 22.7 | Very low | 27.5 | Very low | 89 Ų | 89 | 101.4 Ų | 101.4 | 74% | 0.736 | 53% | 0.534 | S | S | * | . | cis | -152.3 | 173.8 | 5.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 411 | L | 23.3 | Very low | 27.7 | Very low | 136 Ų | 136 | 107.4 Ų | 107.4 | 71% | 0.712 | 57% | 0.566 | S | S | * | * | cis | -156.8 | -149.8 | -4.8 | -132.3 | 174.4 | 0 | 0 | 0 | 109.5 | ||||
| 412 | T | 27.3 | Very low | 27.5 | Very low | 117 Ų | 117 | 109.1 Ų | 109.1 | 72% | 0.718 | 58% | 0.577 | S | S | * | * | trans | -89.9 | -178.6 | -178 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 413 | S | 26 | Very low | 28 | Very low | 98 Ų | 98 | 108.2 Ų | 108.2 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | cis | -152.5 | 173.9 | 13 | 66.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 414 | D | 27.5 | Very low | 28 | Very low | 115 Ų | 115 | 107.3 Ų | 107.3 | 62% | 0.615 | 59% | 0.592 | S | S | * | * | trans | 40.4 | 105.4 | 152.6 | -72 | -56.6 | 0 | 0 | 0 | 126.9 | ||||
| 415 | N | 30.9 | Very low | 27.8 | Very low | 76 Ų | 76 | 115.9 Ų | 115.9 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | 57.7 | 96.3 | 93.7 | -56.5 | -23.9 | 0 | 0 | 0 | 125.2 | V1251 | N415-V1251 VanDerWaalsContact CA-CG2 3.45Å; N415-V1251 HydrophobicContact CB-CG1 4.47Å; N415-V1251 HydrophobicContact CB-CG2 3.81Å; N415-V1251 WeakPolarHBondContact OD1-CB 3.25Å; N415-V1251 WeakPolarHBondContact OD1-CG1 3.35Å; N415-V1251 VanDerWaalsContact OD1-CG2 3.31Å; N415-V1251 WeakPolarHBondContact OD1-CG2 3.1Å | |||
| 416 | K | 27.8 | Very low | 28.3 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 78% | 0.783 | 65% | 0.653 | S | S | * | * | -165.2 | 122.8 | 113.4 | -108.4 | 158 | -173.7 | 165 | 0 | 116.9 | S1252 | K416-S1252 WeakPolarHBondContact O-CA 3.47Å; K416-S1252 WeakPolarHBondContact O-CB 3.37Å | |||
| 417 | I | 29.8 | Very low | 28.4 | Very low | 51 Ų | 51 | 128.9 Ų | 128.9 | 26% | 0.262 | 68% | 0.68 | S | S | . | * | trans | -71.5 | 146.5 | -177.9 | -144.7 | 162.6 | 0 | 0 | 0 | 111.1 | R419 V1251 | I417-R419 HydrophobicContact CG1-CG 4.32Å; I417-V1251 HydrophobicContact CB-CG2 4.28Å; I417-V1251 WeakPolarHBondContact CG1-O 3.36Å | ||
| 418 | F | 24.5 | Very low | 28.5 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 71% | 0.711 | 69% | 0.686 | S | S | * | * | -169.6 | 133.3 | 94.9 | -96.9 | -73.6 | 0 | 0 | 0 | 106.2 | |||||
| 419 | R | 26.5 | Very low | 28.3 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | 47.3 | 138.6 | 59.6 | -62.6 | -171.9 | 179.7 | -178.9 | 3.2 | 111.2 | I417 | I417-R419 HydrophobicContact CG1-CG 4.32Š| |||
| 420 | I | 26.2 | Very low | 28.4 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | cis | -143.2 | 150.4 | 19.9 | -15.3 | -179.7 | 0 | 0 | 0 | 105 | ||||
| 421 | N | 32.8 | Very low | 28.5 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | cis | 52.2 | 160.4 | 46.4 | -102.8 | -20.4 | 0 | 0 | 0 | 113.4 | ||||
| 422 | P | 29.3 | Very low | 28.5 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 66% | 0.656 | 70% | 0.702 | S | S | * | * | cis | -126.6 | -173.6 | 0.9 | 42.5 | -27.6 | 0 | 0 | 0 | 113.9 | ||||
| 423 | S | 38.1 | Very low | 28.3 | Very low | 88 Ų | 88 | 134 Ų | 134 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | trans | -84.5 | 151.2 | 151.4 | -37.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 424 | P | 29.1 | Very low | 28.2 | Very low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 71% | 0.708 | S | S | * | * | trans | -103.3 | 143.6 | 134.1 | -14.2 | 32.2 | 0 | 0 | 0 | 110.9 | ||||
| 425 | R | 27.2 | Very low | 28 | Very low | 220 Ų | 220 | 133.7 Ų | 133.7 | 83% | 0.83 | 71% | 0.708 | S | S | * | * | cis | 75.2 | 114.6 | 35.6 | -57.6 | 176.4 | -179.8 | -124.1 | 1.5 | 111 | ||||
| 426 | R | 38.6 | Very low | 27.7 | Very low | 226 Ų | 226 | 134.8 Ų | 134.8 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | 67.6 | 132.3 | 84.9 | -75.4 | -164.4 | -175.8 | -168.4 | 2.8 | 112.8 | |||||
| 427 | P | 31 | Very low | 27.5 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | -98.8 | 172.8 | 94.2 | -22.6 | 39.5 | 0 | 0 | 0 | 113.2 | |||||
| 428 | S | 27.9 | Very low | 27.3 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | cis | 66.2 | 153.5 | 22.2 | 73.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 429 | E | 24.8 | Very low | 27.5 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | cis | -163.8 | 156.3 | -29.3 | -108.7 | 154.5 | -157.7 | 0 | 0 | 106.6 | ||||
| 430 | A | 26.2 | Very low | 27.5 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | 53.5 | 133 | 160.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 431 | T | 24.4 | Very low | 27.6 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 88% | 0.883 | 71% | 0.705 | S | S | * | * | trans | 82.1 | 162.2 | 143.5 | -52 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 432 | C | 22.5 | Very low | 27.3 | Very low | 110 Ų | 110 | 123.2 Ų | 123.2 | 74% | 0.743 | 69% | 0.688 | S | S | * | * | trans | -64.6 | 153 | -156.2 | -74.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 433 | M | 24.2 | Very low | 27.3 | Very low | 165 Ų | 165 | 124 Ų | 124 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | trans | 69.7 | 116.9 | 134.9 | -66.8 | -77.4 | -81 | 0 | 0 | 122.8 | ||||
| 434 | V | 24.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.715 | 69% | 0.69 | S | S | * | * | trans | 82.6 | 145.2 | 137.4 | 177.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 435 | S | 23.2 | Very low | 27 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 62% | 0.615 | 69% | 0.689 | S | S | * | * | trans | 68.8 | 105.3 | 164.1 | -75.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 436 | C | 23.6 | Very low | 27 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | 65.7 | 124.3 | 111.6 | -62.2 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 437 | N | 23.8 | Very low | 26.6 | Very low | 109 Ų | 109 | 116 Ų | 116 | 58% | 0.583 | 66% | 0.664 | S | S | * | * | trans | 68.8 | 95.7 | 131 | -71.2 | -15.1 | 0 | 0 | 0 | 124.4 | ||||
| 438 | S | 26.6 | Very low | 26.5 | Very low | 82 Ų | 82 | 119.8 Ų | 119.8 | 57% | 0.573 | 67% | 0.669 | S | S | * | * | 91.9 | 131.3 | 108.2 | 80.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 439 | N | 27.8 | Very low | 26.5 | Very low | 123 Ų | 123 | 121 Ų | 121 | 66% | 0.658 | 67% | 0.667 | S | S | * | * | trans | 30.1 | 126.1 | 139.4 | -50.5 | -24.9 | 0 | 0 | 0 | 118.5 | R378 | R378-N439 PolarHBondContact N-O 2.81Š| ||
| 440 | F | 25.8 | Very low | 26.6 | Very low | 121 Ų | 121 | 118 Ų | 118 | 53% | 0.531 | 66% | 0.661 | S | S | . | * | -155.8 | 166.4 | 74.3 | -129.1 | -97.1 | 0 | 0 | 0 | 117.5 | T379 | T379-F440 HydrophobicContact CG2-CD1 3.48Å; T379-F440 VanDerWaalsContact CG2-CD1 3.48Å; T379-F440 HydrophobicContact CG2-CE1 3.7Å; T379-F440 HydrophobicContact CG2-CG 4.07Å; T379-F440 HydrophobicContact CG2-CZ 4.42Å; T379-F440 WeakPolarHBondContact OG1-CD1 3.36Å; T379-F440 WeakPolarHBondContact OG1-CD2 3.25Å; T379-F440 WeakPolarHBondContact OG1-CE1 2.99Å; T379-F440 WeakPolarHBondContact OG1-CE2 3.03Å; T379-F440 WeakPolarHBondContact OG1-CG 3.46Å | |||
| 441 | I | 29.7 | Very low | 26.7 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | trans | -74.3 | 154.5 | 168.9 | -57.3 | 150 | 0 | 0 | 0 | 109.1 | N443 | I441-N443 HydrophobicContact CG2-CB 4.32Š| ||
| 442 | Q | 25.6 | Very low | 27 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 46% | 0.458 | 65% | 0.65 | S | S | . | * | -167.2 | 99.4 | 113.4 | -98.5 | -169.8 | 42.6 | 0 | 0 | 114.5 | Q380 | Q380-Q442 VanDerWaalsContact CG-OE1 3.26Š| |||
| 443 | N | 29.6 | Very low | 27.5 | Very low | 116 Ų | 116 | 119.7 Ų | 119.7 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | 33.9 | 133.6 | 110.2 | -88.7 | 7.6 | 0 | 0 | 0 | 119.9 | I441 | I441-N443 HydrophobicContact CG2-CB 4.32Š| |||
| 444 | T | 35.2 | Very low | 28 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 70% | 0.699 | 65% | 0.653 | S | S | * | * | trans | 69.6 | 154 | 144.6 | 61.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 445 | F | 24.9 | Very low | 28.4 | Very low | 161 Ų | 161 | 117.4 Ų | 117.4 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | -162.2 | 179.8 | 84 | -118.5 | -80.6 | 0 | 0 | 0 | 113.4 | |||||
| 446 | V | 28.1 | Very low | 28.7 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 53% | 0.527 | 66% | 0.658 | S | S | . | * | trans | 75.9 | 121.2 | 153.5 | 162.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 447 | N | 30.8 | Very low | 29 | Very low | 118 Ų | 118 | 123.7 Ų | 123.7 | 63% | 0.631 | 66% | 0.659 | S | S | * | * | cis | -161.5 | 154.2 | -14.6 | -123.6 | -11.6 | 0 | 0 | 0 | 113.6 | ||||
| 448 | K | 27.1 | Very low | 29.3 | Very low | 192 Ų | 192 | 124.6 Ų | 124.6 | 84% | 0.835 | 66% | 0.66 | S | S | * | * | S | Bend | -178.1 | 130.3 | 123.2 | -97 | -172.4 | 179.5 | -176.8 | 0 | 107.9 | |||
| 449 | I | 27.8 | Very low | 29.4 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 62% | 0.615 | 66% | 0.664 | S | S | * | * | cis | -161 | 161.6 | -4.4 | -139.1 | 169.9 | 0 | 0 | 0 | 109.3 | ||||
| 450 | T | 27.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 127 Ų | 127 | 69% | 0.693 | 66% | 0.662 | S | S | * | * | trans | 59 | 110.7 | 171 | 46.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 451 | T | 29.3 | Very low | 29.7 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 72% | 0.718 | 66% | 0.663 | S | S | * | * | 82.8 | 137.6 | 58.2 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 452 | T | 31.2 | Very low | 29.6 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 69% | 0.693 | 67% | 0.666 | S | S | * | * | cis | -171.7 | 160.3 | 5.7 | 13.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 453 | N | 31.3 | Very low | 29.7 | Very low | 151 Ų | 151 | 123.7 Ų | 123.7 | 81% | 0.807 | 67% | 0.669 | S | S | * | * | trans | 79.8 | 136.5 | 146.7 | -63.7 | 3 | 0 | 0 | 0 | 125.6 | ||||
| 454 | A | 35.6 | Very low | 29.7 | Very low | 97 Ų | 97 | 125.3 Ų | 125.3 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | trans | 75.1 | 148.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 455 | D | 32.3 | Very low | 29.4 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | cis | -170 | 172.6 | -34 | -141.9 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 456 | F | 29.8 | Very low | 29.6 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | 72.8 | 120.7 | 159.1 | -73.6 | -65.5 | 0 | 0 | 0 | 125.6 | ||||
| 457 | K | 29.6 | Very low | 29.6 | Very low | 157 Ų | 157 | 119.4 Ų | 119.4 | 68% | 0.683 | 66% | 0.663 | S | S | * | * | 48.6 | 158 | 126.3 | -77.7 | -176 | 165.2 | -145.1 | 0 | 123.1 | |||||
| 458 | E | 29.3 | Very low | 29.5 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 60% | 0.603 | 66% | 0.659 | S | S | * | * | cis | -158.2 | 149.8 | -0.1 | -133.1 | 158 | -171.3 | 0 | 0 | 115.4 | ||||
| 459 | Q | 29.6 | Very low | 29.5 | Very low | 140 Ų | 140 | 114.8 Ų | 114.8 | 65% | 0.654 | 65% | 0.651 | S | S | * | * | trans | 39.6 | 143.4 | 143.6 | -78.7 | -178.1 | 15.5 | 0 | 0 | 128.5 | ||||
| 460 | N | 30.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 111.4 Ų | 111.4 | 62% | 0.615 | 65% | 0.645 | S | S | * | * | trans | 64.4 | 164.4 | 142.3 | -58.8 | -7.7 | 0 | 0 | 0 | 119.8 | ||||
| 461 | A | 29.8 | Very low | 29.4 | Very low | 69 Ų | 69 | 114.2 Ų | 114.2 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | cis | -153.9 | 124.4 | -12.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 462 | D | 27.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 120.5 Ų | 120.5 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | 108.2 | 142.7 | 86.4 | -67.3 | -13 | 0 | 0 | 0 | 113.7 | K1022 | D462-K1022 IonicContact OD1-NZ 2.86Å; D462-K1022 PolarHBondContact OD1-NZ 2.7Å | |||
| 463 | S | 28 | Very low | 29.2 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 54% | 0.538 | 65% | 0.645 | S | S | . | * | trans | 49.2 | 159.3 | 148.2 | -70.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 464 | E | 29.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 113.1 Ų | 113.1 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | cis | -163.6 | 159.3 | -0.1 | -129.8 | 156.7 | -110.8 | 0 | 0 | 114.5 | ||||
| 465 | S | 28.5 | Very low | 28.4 | Very low | 108 Ų | 108 | 113.4 Ų | 113.4 | 76% | 0.755 | 60% | 0.604 | S | S | * | * | trans | 61.4 | 157.4 | 154.4 | 76.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 466 | G | 29.1 | Very low | 28 | Very low | 40 Ų | 40 | 112.3 Ų | 112.3 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | cis | 173.5 | -178.4 | -12 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1016 | G466-D1016 VanDerWaalsContact CA-OD1 3.29Å; G466-D1016 WeakPolarHBondContact CA-OD1 3.34Å; G466-D1016 WeakPolarHBondContact CA-OD2 3.24Å | ||
| 467 | T | 28.9 | Very low | 27.8 | Very low | 89 Ų | 89 | 107.9 Ų | 107.9 | 55% | 0.546 | 61% | 0.607 | S | S | . | * | trans | 106 | 130.1 | 151.8 | -23.4 | 0 | 0 | 0 | 0 | 121.7 | L1014 D1016 | T467-L1014 VanDerWaalsContact O-CB 3.24Å; T467-L1014 WeakPolarHBondContact O-CB 2.96Å; T467-L1014 WeakPolarHBondContact O-CD2 3.03Å; T467-D1016 WeakPolarHBondContact CA-OD2 3.43Å; T467-D1016 PolarHBondContact N-OD1 2.68Å; T467-D1016 PolarHBondContact N-OD2 3.16Å | ||
| 468 | L | 27.6 | Very low | 27.7 | Very low | 107 Ų | 107 | 105.5 Ų | 105.5 | 56% | 0.56 | 62% | 0.617 | S | S | * | * | trans | 118.3 | 71.6 | 131.4 | -123.6 | 165.8 | 0 | 0 | 0 | 124.3 | D1013 L1014 | L468-D1013 PolarHBondContact O-N 2.77Å; L468-L1014 CarbonylContact C-O 3.24Å; L468-L1014 VanDerWaalsContact C-O 3.28Å; L468-L1014 PolarHBondContact O-N 2.97Å | ||
| 469 | V | 27.9 | Very low | 27.6 | Very low | 107 Ų | 107 | 102.3 Ų | 102.3 | 65% | 0.648 | 62% | 0.618 | S | S | * | * | trans | 39.8 | 130.7 | 136 | -170.1 | 0 | 0 | 0 | 0 | 123.4 | G1012 D1013 L1014 | V469-G1012 CarbonylContact O-C 3.23Å; V469-G1012 WeakPolarHBondContact O-CA 3.31Å; V469-D1013 PolarHBondContact O-N 2.82Å; V469-L1014 PolarHBondContact N-O 2.77Å | ||
| 470 | G | 26.5 | Very low | 27.3 | Very low | 48 Ų | 48 | 101.7 Ų | 101.7 | 50% | 0.495 | 62% | 0.624 | S | S | . | * | trans | 152.9 | 90.9 | 139.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 471 | H | 27.3 | Very low | 27.2 | Very low | 173 Ų | 173 | 103.4 Ų | 103.4 | 80% | 0.801 | 63% | 0.632 | S | S | * | * | trans | -7.4 | 146.8 | 150.9 | -155.4 | -124.7 | 0 | 0 | 0 | 123.5 | ||||
| 472 | W | 26.8 | Very low | 27 | Very low | 249 Ų | 249 | 105.1 Ų | 105.1 | 94% | 0.943 | 63% | 0.632 | S | S | * | * | trans | -141.5 | 115.3 | 154.3 | -102 | 79.1 | 0 | 0 | 0 | 113 | ||||
| 473 | S | 27.9 | Very low | 27.1 | Very low | 53 Ų | 53 | 103.9 Ų | 103.9 | 37% | 0.371 | 63% | 0.632 | S | S | . | * | trans | -144.1 | 129.7 | 163 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | S1092 S1093 | S473-S1092 PolarHBondContact OG-O 2.87Å; S473-S1093 PolarHBondContact OG-OG 3.1Å | ||
| 474 | L | 25.3 | Very low | 27 | Very low | 56 Ų | 56 | 107.3 Ų | 107.3 | 29% | 0.293 | 64% | 0.64 | S | S | . | * | trans | 44.8 | 125.8 | 170.5 | -105.4 | -172.3 | 0 | 0 | 0 | 122.7 | S1092 S1093 | L474-S1092 WeakPolarHBondContact CD1-O 3.3Å; L474-S1092 WeakPolarHBondContact CD1-OG 3.06Å; L474-S1093 WeakPolarHBondContact CG-OG 3.33Å | ||
| 475 | K | 25.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | trans | 83 | 134.9 | 132.5 | -124.2 | 178.5 | -121.5 | 101 | 0 | 122.1 | ||||
| 476 | S | 24 | Very low | 26.9 | Very low | 113 Ų | 113 | 108 Ų | 108 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | trans | 82.7 | 153.3 | 151.5 | -17.9 | 0 | 0 | 0 | 0 | 118 | ||||
| 477 | G | 24.5 | Very low | 26.9 | Very low | 70 Ų | 70 | 111.9 Ų | 111.9 | 72% | 0.722 | 65% | 0.65 | S | S | * | * | trans | 89.1 | 76 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 478 | A | 28.1 | Very low | 26.9 | Very low | 107 Ų | 107 | 116.8 Ų | 116.8 | 88% | 0.884 | 66% | 0.664 | S | S | * | * | cis | 62.4 | 104.2 | 34.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 479 | G | 26.3 | Very low | 27 | Very low | 61 Ų | 61 | 115.2 Ų | 115.2 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | trans | 146.4 | 78 | -171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 480 | T | 24.4 | Very low | 27.3 | Very low | 127 Ų | 127 | 114.1 Ų | 114.1 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | 53.1 | 131 | 86.2 | 69.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 481 | L | 27.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 116.5 Ų | 116.5 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | cis | -162.9 | 167.7 | 0.5 | -134.2 | 82.2 | 0 | 0 | 0 | 104.5 | ||||
| 482 | D | 25.9 | Very low | 27.6 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 56% | 0.561 | 65% | 0.649 | S | S | * | * | cis | -145.2 | 155.6 | -14.2 | -156.7 | 12 | 0 | 0 | 0 | 110.2 | Q484 | D482-Q484 PolarHBondContact OD2-NE2 3.17Š| ||
| 483 | S | 28.7 | Very low | 27.7 | Very low | 87 Ų | 87 | 102.2 Ų | 102.2 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | trans | -18.2 | 152.4 | 139.9 | -37.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 484 | Q | 26.9 | Very low | 27.9 | Very low | 149 Ų | 149 | 105.3 Ų | 105.3 | 70% | 0.696 | 64% | 0.641 | S | S | * | * | trans | 106 | 146.7 | 148.5 | -59.9 | 165.9 | 82.5 | 0 | 0 | 116.2 | D482 | D482-Q484 PolarHBondContact OD2-NE2 3.17Š| ||
| 485 | L | 27.5 | Very low | 28 | Very low | 142 Ų | 142 | 106 Ų | 106 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | cis | -115.7 | 151.6 | -1.5 | -89.5 | 98.2 | 0 | 0 | 0 | 109.3 | ||||
| 486 | L | 29 | Very low | 28.1 | Very low | 130 Ų | 130 | 104.5 Ų | 104.5 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | 48.1 | 136.9 | 74.9 | -63.6 | 163.9 | 0 | 0 | 0 | 111.7 | |||||
| 487 | N | 28.5 | Very low | 28.2 | Very low | 122 Ų | 122 | 109.1 Ų | 109.1 | 65% | 0.652 | 66% | 0.662 | S | S | * | * | cis | -165.7 | 170.1 | 17.4 | -148.3 | -29.2 | 0 | 0 | 0 | 111.5 | ||||
| 488 | K | 29.4 | Very low | 28.2 | Very low | 193 Ų | 193 | 112.9 Ų | 112.9 | 84% | 0.839 | 66% | 0.661 | S | S | * | * | trans | 69.5 | 133.5 | 166.7 | -48.9 | 173.7 | -166.4 | -178 | 0 | 115.8 | ||||
| 489 | G | 28.7 | Very low | 28 | Very low | 73 Ų | 73 | 113.3 Ų | 113.3 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | cis | -167 | 159 | -3.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 490 | C | 35.2 | Very low | 28.3 | Very low | 84 Ų | 84 | 118.7 Ų | 118.7 | 57% | 0.568 | 67% | 0.669 | S | S | * | * | trans | -62.2 | 159.7 | 169.5 | -149 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 491 | V | 31.4 | Very low | 28.4 | Very low | 98 Ų | 98 | 120.6 Ų | 120.6 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | -158.3 | 94.7 | 87.1 | 145.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 492 | T | 28.4 | Very low | 28.6 | Very low | 47 Ų | 47 | 118.5 Ų | 118.5 | 29% | 0.288 | 66% | 0.662 | S | S | . | * | trans | 78.9 | 168 | 131.6 | 79.1 | 0 | 0 | 0 | 0 | 123.7 | N1876 | T492-N1876 HydrophobicContact CG2-CB 3.69Å; T492-N1876 VanDerWaalsContact CG2-ND2 3.34Å; T492-N1876 WeakPolarHBondContact CG2-ND2 3.29Å; T492-N1876 WeakPolarHBondContact CG2-O 3.28Å; T492-N1876 PolarHBondContact OG1-O 3.19Å | ||
| 493 | C | 29 | Very low | 28.6 | Very low | 76 Ų | 76 | 118.7 Ų | 118.7 | 51% | 0.514 | 67% | 0.668 | S | S | . | * | trans | 73.2 | 128.4 | 179.8 | -55.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 494 | L | 31.2 | Very low | 28.5 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 62% | 0.618 | 67% | 0.67 | S | S | * | * | cis | -159 | 135.3 | 15.8 | -163.1 | 167.6 | 0 | 0 | 0 | 110.1 | I1874 | L494-I1874 HydrophobicContact CD1-CD1 3.63Å; L494-I1874 HydrophobicContact CD1-CG1 4.27Å; L494-I1874 HydrophobicContact CD2-CD1 3.92Å; L494-I1874 HydrophobicContact CD2-CG1 4.37Å; L494-I1874 HydrophobicContact CG-CD1 3.67Å; L494-I1874 HydrophobicContact CG-CG1 3.9Å | ||
| 495 | P | 28 | Very low | 28.6 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 46% | 0.461 | 68% | 0.679 | S | S | . | * | trans | -82.8 | 147.9 | -177.1 | 32.1 | -37 | 0 | 0 | 0 | 115.8 | I1875 | P495-I1875 HydrophobicContact CG-CD1 3.67Š| ||
| 496 | G | 27.9 | Very low | 28.8 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | trans | 106.6 | 136.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 497 | R | 25.4 | Very low | 28.8 | Very low | 209 Ų | 209 | 124.3 Ų | 124.3 | 79% | 0.789 | 69% | 0.686 | S | S | * | * | -154.7 | 165.5 | 53.7 | -81.5 | 163.6 | 164.7 | -121 | 8.4 | 113.9 | |||||
| 498 | E | 24.8 | Very low | 28.5 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 69% | 0.688 | S | S | * | * | trans | 54.6 | 89.7 | 145 | -68.6 | 148 | -127.4 | 0 | 0 | 117.5 | ||||
| 499 | C | 23.9 | Very low | 28.4 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | trans | -138.1 | 142.1 | 157.8 | -72.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 500 | L | 31.6 | Very low | 28.3 | Very low | 174 Ų | 174 | 126.8 Ų | 126.8 | 91% | 0.911 | 70% | 0.697 | S | S | * | * | trans | 54.1 | 67.2 | 175.1 | -55.7 | -176.2 | 0 | 0 | 0 | 116.4 | ||||
| 501 | K | 26.6 | Very low | 27.7 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 73% | 0.726 | 71% | 0.711 | S | S | * | * | trans | -81.8 | 135.9 | 138.5 | -70.1 | -179.7 | 179.1 | 178.8 | 0 | 108.3 | T503 | K501-T503 VanDerWaalsContact C-N 3.33Å; K501-T503 HydrophobicContact CB-CG2 4.14Å; K501-T503 HydrophobicContact CD-CG2 3.97Å; K501-T503 PolarHBondContact O-N 2.68Å; K501-T503 VanDerWaalsContact O-N 3.16Å | ||
| 502 | P | 32.6 | Very low | 27.4 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | trans | -76.7 | 87.4 | 152.4 | 31.5 | -29.9 | 0 | 0 | 0 | 108.6 | T312 | T312-P502 HydrophobicContact CG2-CG 4.19Š| ||
| 503 | T | 26.8 | Very low | 27.3 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -133.7 | 102.9 | 170.3 | 48.1 | 0 | 0 | 0 | 0 | 110.5 | K501 | K501-T503 VanDerWaalsContact C-N 3.33Å; K501-T503 HydrophobicContact CB-CG2 4.14Å; K501-T503 HydrophobicContact CD-CG2 3.97Å; K501-T503 PolarHBondContact O-N 2.68Å; K501-T503 VanDerWaalsContact O-N 3.16Å | ||
| 504 | G | 26.6 | Very low | 27.2 | Very low | 63 Ų | 63 | 131.6 Ų | 131.6 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | trans | 168.9 | 159.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 505 | W | 28.8 | Very low | 27 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 67 | 103 | -169.9 | -59.5 | 41 | 0 | 0 | 0 | 111.3 | ||
| 506 | F | 30.7 | Very low | 26.9 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 75% | 0.746 | 78% | 0.781 | S | S | * | * | S | Bend | cis | -143.9 | 154.6 | 4.7 | -80.4 | -100.3 | 0 | 0 | 0 | 108.3 | ||
| 507 | L | 28.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -149.3 | 161.4 | -12.6 | -167.5 | 78.9 | 0 | 0 | 0 | 107.5 | ||||
| 508 | S | 24.2 | Very low | 26.8 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | -90.5 | 145.6 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 509 | K | 26.7 | Very low | 26.8 | Very low | 222 Ų | 222 | 130.8 Ų | 130.8 | 97% | 0.965 | 78% | 0.779 | S | S | * | * | trans | -132.3 | 122.9 | 140 | -88.7 | -170.3 | 175.8 | 177.9 | 0 | 109 | ||||
| 510 | S | 25.3 | Very low | 26.8 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -136.4 | 133.7 | -177 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 511 | G | 24.5 | Very low | 26.5 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | 133.1 | 143 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 512 | G | 24.8 | Very low | 26.5 | Very low | 90 Ų | 90 | 129.3 Ų | 129.3 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | trans | 103.7 | 97.4 | -173 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 513 | A | 26.5 | Very low | 26.1 | Very low | 85 Ų | 85 | 129.1 Ų | 129.1 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | -116 | 172.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 514 | N | 26.9 | Very low | 26.1 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 69.1 | 147.4 | 153.3 | -75.5 | -12.5 | 0 | 0 | 0 | 117.2 | ||||
| 515 | I | 25.1 | Very low | 26 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 64% | 0.641 | 78% | 0.775 | S | S | * | * | cis | -132.6 | 151.4 | -8.5 | -83.1 | 119.7 | 0 | 0 | 0 | 107.1 | ||||
| 516 | N | 25.9 | Very low | 25.7 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -165.3 | 83.7 | 139.8 | -99.8 | -36.7 | 0 | 0 | 0 | 112.7 | ||||
| 517 | S | 25.4 | Very low | 25.4 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 144.4 | 146.2 | 47 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 518 | A | 26.2 | Very low | 25.2 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | cis | -166.4 | -143.1 | -7.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 519 | V | 25.1 | Very low | 25.4 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | trans | 73.6 | 76.2 | 159.2 | -165.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 520 | S | 23.8 | Very low | 25.6 | Very low | 88 Ų | 88 | 125 Ų | 125 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | 46.6 | 142.9 | 121.7 | 71.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 521 | K | 25.6 | Very low | 25.7 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 77% | 0.774 | 75% | 0.749 | S | S | * | * | trans | 64.9 | 149.9 | 148.9 | -69.4 | 165.6 | 157.7 | -120.7 | 0 | 116.1 | ||||
| 522 | E | 27.3 | Very low | 25.8 | Very low | 159 Ų | 159 | 126 Ų | 126 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -144.4 | -172.2 | 1.3 | -133.4 | 153.6 | -124.6 | 0 | 0 | 110.3 | ||||
| 523 | S | 23.8 | Very low | 25.8 | Very low | 102 Ų | 102 | 125.9 Ų | 125.9 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -123 | 131 | -176 | 62 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 524 | K | 25.4 | Very low | 25.8 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -179.9 | 154.6 | 139.1 | -104.8 | 163.8 | -178.2 | -178.1 | 0 | 114.2 | ||||
| 525 | T | 24.9 | Very low | 25.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | trans | 55.6 | 118.1 | 152.2 | 50 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 526 | T | 23.5 | Very low | 26 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | 64.4 | 140.1 | 64.8 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 527 | F | 24.2 | Very low | 26 | Very low | 170 Ų | 170 | 124.6 Ų | 124.6 | 75% | 0.746 | 74% | 0.735 | S | S | * | * | cis | -162 | 160.7 | 17 | -121.2 | -46.6 | 0 | 0 | 0 | 112 | ||||
| 528 | N | 24.9 | Very low | 26 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 74% | 0.735 | S | S | * | * | trans | 59.8 | 121.2 | 152.2 | -56.9 | -21.7 | 0 | 0 | 0 | 123.3 | ||||
| 529 | D | 27.3 | Very low | 25.9 | Very low | 147 Ų | 147 | 123.2 Ų | 123.2 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | 24.5 | 161.3 | 106.2 | -43.8 | -17.2 | 0 | 0 | 0 | 121.1 | |||||
| 530 | P | 30.8 | Very low | 26.2 | Very low | 120 Ų | 120 | 118.9 Ų | 118.9 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | cis | -130.4 | -132.8 | 0.1 | 42 | -21 | 0 | 0 | 0 | 110.9 | ||||
| 531 | P | 27.2 | Very low | 26.4 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | cis | -124.8 | -157.9 | -36.9 | 39.7 | -21.3 | 0 | 0 | 0 | 114.1 | ||||
| 532 | S | 26.1 | Very low | 26.5 | Very low | 107 Ų | 107 | 117.2 Ų | 117.2 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -64.3 | 174.9 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 533 | S | 25.5 | Very low | 26.3 | Very low | 87 Ų | 87 | 116.4 Ų | 116.4 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | cis | -173.4 | 155.8 | 37.3 | 53.4 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 534 | I | 26.1 | Very low | 26.3 | Very low | 149 Ų | 149 | 117.9 Ų | 117.9 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | trans | 73.1 | 149.9 | 139.4 | -70.9 | 165.1 | 0 | 0 | 0 | 121.7 | ||||
| 535 | T | 26.7 | Very low | 26.3 | Very low | 141 Ų | 141 | 116.2 Ų | 116.2 | 87% | 0.865 | 69% | 0.689 | S | S | * | * | trans | 61.7 | 136.3 | 172.4 | 39.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 536 | G | 29.5 | Very low | 26.1 | Very low | 67 Ų | 67 | 117.4 Ų | 117.4 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | cis | 165.9 | 158.4 | -15.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 537 | V | 26.3 | Very low | 26.2 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 84% | 0.836 | 69% | 0.688 | S | S | * | * | trans | 84.1 | 133.4 | 156 | -172.3 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 538 | S | 25.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | trans | 47.8 | 111 | 159.4 | -61 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 539 | S | 23.9 | Very low | 26.2 | Very low | 61 Ų | 61 | 116.6 Ų | 116.6 | 43% | 0.427 | 69% | 0.685 | S | S | . | * | 24.2 | 123.2 | 109.9 | -58.7 | 0 | 0 | 0 | 0 | 123.7 | N2233 E2234 | S539-N2233 VanDerWaalsContact CB-O 3.29Å; S539-N2233 WeakPolarHBondContact CB-O 3.05Å; S539-N2233 PolarHBondContact OG-O 2.87Å; S539-E2234 PolarHBondContact OG-N 3.32Å | |||
| 540 | A | 31.3 | Very low | 26.1 | Very low | 37 Ų | 37 | 115.7 Ų | 115.7 | 31% | 0.306 | 68% | 0.68 | S | S | . | * | 71.7 | 139.3 | 117.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | N2233 E2234 | A540-N2233 HydrophobicContact CB-CB 4.09Å; A540-E2234 HydrophobicContact CB-CG 4.27Å; A540-E2234 PolarHBondContact N-OE2 3.23Å | |||
| 541 | P | 29.5 | Very low | 25.9 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | cis | -144 | -177.2 | 48.6 | 41.2 | -21.7 | 0 | 0 | 0 | 117.6 | ||||
| 542 | L | 27 | Very low | 25.7 | Very low | 118 Ų | 118 | 119 Ų | 119 | 62% | 0.618 | 68% | 0.675 | S | S | * | * | trans | -54.7 | 172.6 | 158.3 | -75.2 | 163.7 | 0 | 0 | 0 | 113.3 | ||||
| 543 | I | 23.3 | Very low | 25.7 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | trans | 113.8 | 121.4 | 154.6 | -62 | 175.1 | 0 | 0 | 0 | 115.1 | ||||
| 544 | N | 23.8 | Very low | 25.7 | Very low | 132 Ų | 132 | 121.3 Ų | 121.3 | 71% | 0.706 | 68% | 0.68 | S | S | * | * | trans | 60.7 | 113.5 | 162.3 | -67 | -11.3 | 0 | 0 | 0 | 117.5 | ||||
| 545 | K | 24.2 | Very low | 25.6 | Very low | 155 Ų | 155 | 118.3 Ų | 118.3 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | 86.8 | 136.7 | 62.1 | -90.6 | -174.2 | 154.1 | -138.5 | 0 | 112 | |||||
| 546 | E | 22.1 | Very low | 25.7 | Very low | 137 Ų | 137 | 120.5 Ų | 120.5 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | trans | 69.8 | 128.2 | 146.1 | -76 | 154.7 | -154.8 | 0 | 0 | 119.7 | ||||
| 547 | T | 24.7 | Very low | 25.5 | Very low | 119 Ų | 119 | 122.2 Ų | 122.2 | 73% | 0.73 | 67% | 0.667 | S | S | * | * | trans | 83.1 | 136.3 | 139.9 | 46.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 548 | Q | 25 | Very low | 25.6 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | trans | 79.3 | 114.9 | 140.7 | -75.1 | 178.1 | 35 | 0 | 0 | 120 | ||||
| 549 | N | 23.9 | Very low | 25.7 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 60% | 0.604 | 66% | 0.657 | S | S | * | * | 73.3 | 118.4 | 118.1 | -60.4 | -5.2 | 0 | 0 | 0 | 119.9 | |||||
| 550 | N | 25 | Very low | 26 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | 59.6 | 133.4 | 115.3 | -51.9 | -14 | 0 | 0 | 0 | 120.7 | |||||
| 551 | H | 26.4 | Very low | 25.8 | Very low | 155 Ų | 155 | 132.9 Ų | 132.9 | 72% | 0.718 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 150.2 | 138.2 | -85.7 | -123.9 | 0 | 0 | 0 | 119.9 | ||||
| 552 | E | 24.6 | Very low | 25.8 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | 65.7 | 108.5 | 142.4 | -76.4 | 155.6 | -150.1 | 0 | 0 | 120.5 | ||||
| 553 | D | 26 | Very low | 25.8 | Very low | 139 Ų | 139 | 134.2 Ų | 134.2 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | 69.1 | 107.2 | 111.5 | -64.8 | 9.3 | 0 | 0 | 0 | 120.3 | |||||
| 554 | S | 24.3 | Very low | 25.9 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | 95.2 | 150.8 | 117 | 81.3 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 555 | S | 25.3 | Very low | 25.9 | Very low | 85 Ų | 85 | 130.5 Ų | 130.5 | 59% | 0.594 | 68% | 0.675 | S | S | * | * | trans | 4.4 | 129.2 | 155.5 | 50.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 556 | F | 27.3 | Very low | 25.9 | Very low | 188 Ų | 188 | 131.2 Ų | 131.2 | 83% | 0.825 | 68% | 0.681 | S | S | * | * | -127.1 | 122.9 | 100 | -140.5 | -111.1 | 0 | 0 | 0 | 113.5 | |||||
| 557 | V | 27.1 | Very low | 26.1 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 62% | 0.618 | 68% | 0.681 | S | S | * | * | trans | -62.4 | 151.1 | 166.2 | 177.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 558 | Q | 28.6 | Very low | 26.1 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 70% | 0.696 | 68% | 0.677 | S | S | * | * | trans | 151 | 138.5 | 138 | -83.6 | -164 | 62.4 | 0 | 0 | 112 | ||||
| 559 | N | 25.9 | Very low | 26.1 | Very low | 111 Ų | 111 | 130.6 Ų | 130.6 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | cis | -162.9 | 163.9 | -16.6 | -143.1 | -23.3 | 0 | 0 | 0 | 110.1 | ||||
| 560 | K | 30.6 | Very low | 26.1 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | 67.2 | 146.5 | 156.1 | -65.8 | -172 | 172.4 | -178 | 0 | 119.5 | ||||
| 561 | Q | 28 | Very low | 26.3 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | cis | -165.8 | 157.7 | -24.4 | -123.6 | 170 | -36.9 | 0 | 0 | 110.4 | ||||
| 562 | H | 29.6 | Very low | 26.4 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 61% | 0.611 | 69% | 0.691 | S | S | * | * | trans | 60.1 | 124 | 146.7 | -73.7 | -51 | 0 | 0 | 0 | 123.4 | ||||
| 563 | N | 25.7 | Very low | 26.9 | Very low | 128 Ų | 128 | 134.4 Ų | 134.4 | 68% | 0.684 | 69% | 0.689 | S | S | * | * | 72.4 | 147.7 | 124.5 | -59.9 | 8.4 | 0 | 0 | 0 | 119.8 | |||||
| 564 | T | 25.2 | Very low | 26.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 67% | 0.669 | S | S | * | * | cis | -160.2 | 170.6 | -18.8 | 22.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 565 | S | 24 | Very low | 26.9 | Very low | 84 Ų | 84 | 130.7 Ų | 130.7 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | trans | 55 | 112.4 | 141.2 | 62.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 566 | E | 24.2 | Very low | 26.7 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | 88.9 | 142.2 | 116.1 | -73.4 | -175.5 | 138.4 | 0 | 0 | 123.7 | |||||
| 567 | I | 26.4 | Very low | 26.7 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 66% | 0.656 | 65% | 0.653 | S | S | * | * | trans | 85.5 | 103.1 | 134.9 | -77.1 | 167.3 | 0 | 0 | 0 | 120.5 | ||||
| 568 | T | 25.2 | Very low | 26.6 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | trans | 75.3 | 116.7 | 137.5 | 60.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 569 | E | 24.6 | Very low | 26.4 | Very low | 163 Ų | 163 | 132.7 Ų | 132.7 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | 67.4 | 109.9 | 116.7 | -60.9 | -176.8 | 156.2 | 0 | 0 | 122 | |||||
| 570 | E | 25.2 | Very low | 26.4 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | 86.6 | 149.2 | 118.3 | -72.1 | -153.2 | 146.9 | 0 | 0 | 123.7 | |||||
| 571 | H | 27.5 | Very low | 26.2 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.685 | 66% | 0.664 | S | S | * | * | trans | 48.1 | 83.3 | 145.1 | -71.6 | -26.4 | 0 | 0 | 0 | 119.6 | ||||
| 572 | K | 28.7 | Very low | 26.2 | Very low | 200 Ų | 200 | 134.8 Ų | 134.8 | 87% | 0.87 | 67% | 0.668 | S | S | * | * | trans | -161.9 | 160.6 | 139.9 | -111.3 | 142.9 | -168.2 | 165.7 | 0 | 116.4 | ||||
| 573 | I | 34.7 | Very low | 25.9 | Very low | 128 Ų | 128 | 133.8 Ų | 133.8 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | trans | 66.9 | 78.8 | 153.8 | -59.1 | 154.3 | 0 | 0 | 0 | 117.2 | ||||
| 574 | T | 24 | Very low | 25.8 | Very low | 52 Ų | 52 | 134 Ų | 134 | 32% | 0.319 | 66% | 0.655 | S | S | . | * | trans | -64.7 | 173 | 135.1 | 46.2 | 0 | 0 | 0 | 0 | 112.3 | S732 K733 | T574-S732 WeakPolarHBondContact CG2-OG 3.48Å; T574-S732 PolarHBondContact OG1-O 3.26Å; T574-S732 PolarHBondContact OG1-OG 2.88Å; T574-K733 WeakPolarHBondContact O-CD 3.36Å; T574-K733 WeakPolarHBondContact O-CE 3.41Å; T574-K733 PolarHBondContact O-NZ 2.9Å; T574-K733 WeakPolarHBondContact OG1-CB 3.2Å; T574-K733 WeakPolarHBondContact OG1-CD 3.49Å; T574-K733 VanDerWaalsContact OG1-CG 3.27Å; T574-K733 WeakPolarHBondContact OG1-CG 3.32Å | ||
| 575 | R | 26.6 | Very low | 25.6 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 43% | 0.43 | 65% | 0.652 | S | S | . | * | trans | 88 | 111.7 | 176.8 | -73.9 | -175 | 171.1 | -173.5 | -9.5 | 117.8 | K733 S734 N735 | R575-K733 HydrophobicContact CB-CD 4.32Å; R575-K733 HydrophobicContact CG-CB 3.8Å; R575-K733 HydrophobicContact CG-CD 3.92Å; R575-K733 PolarHBondContact NE-O 2.68Å; R575-K733 VanDerWaalsContact NE-O 3.08Å; R575-S734 PolarHBondContact NH2-O 2.82Å; R575-S734 PolarHBondContact NH2-OG 3.34Å; R575-S734 VanDerWaalsContact NH2-OG 3.12Å; R575-N735 PolarHBondContact NH2-O 2.86Å | ||
| 576 | S | 21.7 | Very low | 25.6 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | 1 | 121.7 | 119.7 | 58.4 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 577 | H | 27.4 | Very low | 25.6 | Very low | 158 Ų | 158 | 137 Ų | 137 | 73% | 0.731 | 65% | 0.649 | S | S | * | * | -152.5 | 126.8 | 116.1 | -91.7 | -83.3 | 0 | 0 | 0 | 105.2 | |||||
| 578 | R | 25.1 | Very low | 25.7 | Very low | 218 Ų | 218 | 136.8 Ų | 136.8 | 82% | 0.823 | 65% | 0.645 | S | S | * | * | 72.7 | 126.2 | 59.8 | -162.4 | -174 | -158.5 | -161.2 | 7 | 110.9 | |||||
| 579 | S | 23.7 | Very low | 26 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 66% | 0.657 | 64% | 0.644 | S | S | * | * | trans | 60.4 | 112.9 | -179.1 | 63.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 580 | H | 27.5 | Very low | 26.2 | Very low | 179 Ų | 179 | 136.3 Ų | 136.3 | 83% | 0.829 | 64% | 0.636 | S | S | * | * | -135 | 142.5 | 103.5 | -94.2 | -85.9 | 0 | 0 | 0 | 106.7 | |||||
| 581 | K | 25.1 | Very low | 26.4 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 55% | 0.548 | 63% | 0.632 | S | S | . | * | cis | 59 | 68.5 | 23.2 | -77.9 | -151.7 | 174.7 | -150 | 0 | 114.3 | S1690 H1691 | K581-S1690 PolarHBondContact NZ-O 2.97Å; K581-H1691 PolarHBondContact NZ-O 3.44Å | ||
| 582 | H | 28.1 | Very low | 26.6 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 68% | 0.681 | 63% | 0.629 | S | S | * | * | -166 | 129.2 | 122 | -108.5 | -87.8 | 0 | 0 | 0 | 106.2 | |||||
| 583 | R | 23.4 | Very low | 26.9 | Very low | 111 Ų | 111 | 131 Ų | 131 | 42% | 0.419 | 62% | 0.617 | S | S | . | * | cis | 57.6 | 118.5 | 40.6 | -175.4 | -133.1 | -178.5 | 98.4 | 4.2 | 110.9 | D1692 | R583-D1692 WeakPolarHBondContact CB-OD2 3.43Å; R583-D1692 WeakPolarHBondContact CD-OD2 3.11Å; R583-D1692 HydrophobicContact CG-CB 4.4Å; R583-D1692 WeakPolarHBondContact CG-OD2 3.44Å; R583-D1692 IonicContact CZ-OD1 2.68Å; R583-D1692 IonicContact CZ-OD2 3.57Å; R583-D1692 IonicContact NE-OD2 2.79Å; R583-D1692 IonicContact NH1-OD1 3.41Å; R583-D1692 PolarHBondContact NH1-OD1 2.63Å; R583-D1692 IonicContact NH1-OD2 3.72Å; R583-D1692 PolarHBondContact NH1-OD2 2.81Å | ||
| 584 | Q | 22.8 | Very low | 26.3 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | trans | 65.8 | 141.3 | 175.3 | -69.8 | 161.9 | -30.6 | 0 | 0 | 113.6 | ||||
| 585 | T | 22.1 | Very low | 26.5 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | cis | -165.1 | -160 | -10.9 | 21.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 586 | K | 23.4 | Very low | 26.3 | Very low | 153 Ų | 153 | 137.4 Ų | 137.4 | 67% | 0.665 | 66% | 0.656 | S | S | * | * | 39.9 | 119.1 | 123.7 | -71.9 | 166.6 | -177.7 | 178.8 | 0 | 114.6 | |||||
| 587 | R | 25 | Very low | 26.6 | Very low | 178 Ų | 178 | 139.6 Ų | 139.6 | 67% | 0.672 | 66% | 0.659 | S | S | * | * | cis | -175.9 | 178.1 | 33.3 | -123.9 | 163.6 | 172.8 | 165.2 | -4.5 | 110.9 | ||||
| 588 | H | 28.9 | Very low | 26.5 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | trans | 38.2 | 117.9 | 139.3 | -58.9 | -33.7 | 0 | 0 | 0 | 116.9 | ||||
| 589 | H | 30.8 | Very low | 26.4 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | cis | -161.3 | 161.3 | 14.6 | -124.1 | -36.6 | 0 | 0 | 0 | 110.2 | ||||
| 590 | Q | 28.7 | Very low | 26.4 | Very low | 125 Ų | 125 | 131.4 Ų | 131.4 | 58% | 0.584 | 64% | 0.641 | S | S | * | * | 72.3 | 119.3 | 103.5 | -167.4 | 124.8 | 48 | 0 | 0 | 111.4 | |||||
| 591 | E | 30 | Very low | 26.3 | Very low | 134 Ų | 134 | 126.1 Ų | 126.1 | 63% | 0.626 | 62% | 0.624 | S | S | * | * | cis | -164.4 | 178.7 | 3.5 | -110.7 | 179.8 | 144 | 0 | 0 | 105.3 | ||||
| 592 | Q | 30.5 | Very low | 26.2 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 61% | 0.612 | 61% | 0.608 | S | S | * | * | cis | -153.1 | -174 | 4.5 | -134.5 | 160 | 30 | 0 | 0 | 108 | ||||
| 593 | I | 35.1 | Very low | 26 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 62% | 0.621 | 60% | 0.604 | S | S | * | * | trans | 38 | 102.6 | 142.6 | -68.9 | 156.3 | 0 | 0 | 0 | 116.3 | ||||
| 594 | K | 23 | Very low | 26.1 | Very low | 184 Ų | 184 | 120.4 Ų | 120.4 | 80% | 0.8 | 61% | 0.613 | S | S | * | * | 59.4 | 148.5 | 78.7 | -60.7 | 167.9 | -179.1 | 177.9 | 0 | 112.8 | |||||
| 595 | P | 26.8 | Very low | 26.2 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | cis | -109.8 | 176 | 1.9 | 45.5 | -33.2 | 0 | 0 | 0 | 109.5 | ||||
| 596 | N | 24.2 | Very low | 26.3 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | cis | 67 | 148.2 | 28.6 | -157.8 | 31.4 | 0 | 0 | 0 | 112.2 | ||||
| 597 | I | 26.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | trans | 65.1 | 153.9 | 173.8 | -50.8 | 147 | 0 | 0 | 0 | 112.8 | ||||
| 598 | A | 26.6 | Very low | 26.4 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 58% | 0.579 | 62% | 0.616 | S | S | * | * | cis | -98.8 | 161.9 | -19.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 599 | L | 23.3 | Very low | 26.3 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | cis | 59.1 | 164.3 | 38.8 | -112.8 | 175.3 | 0 | 0 | 0 | 112.6 | ||||
| 600 | T | 23.3 | Very low | 26.1 | Very low | 70 Ų | 70 | 119.9 Ų | 119.9 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | trans | 48.8 | 108.8 | 171.6 | 53.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 601 | S | 24.4 | Very low | 26 | Very low | 69 Ų | 69 | 119.8 Ų | 119.8 | 48% | 0.483 | 62% | 0.624 | S | S | . | * | 60.4 | 132.8 | 69 | 81.5 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 602 | E | 24 | Very low | 25.9 | Very low | 46 Ų | 46 | 121 Ų | 121 | 22% | 0.215 | 62% | 0.624 | C | S | . | * | cis | -147.4 | -174.4 | 47.9 | -91.6 | 170.3 | -137.2 | 0 | 0 | 114 | S1587 N1588 | E602-S1587 VanDerWaalsContact CD-CA 3.44Å; E602-S1587 VanDerWaalsContact OE1-C 3.28Å; E602-S1587 WeakPolarHBondContact OE1-CA 3.36Å; E602-S1587 PolarHBondContact OE1-N 3.41Å; E602-S1587 PolarHBondContact OE2-N 2.8Å; E602-N1588 VanDerWaalsContact CD-N 3.35Å; E602-N1588 WeakPolarHBondContact OE1-CA 3Å; E602-N1588 PolarHBondContact OE1-N 3.36Å; E602-N1588 VanDerWaalsContact OE1-N 3.09Å; E602-N1588 PolarHBondContact OE2-N 2.75Å | ||
| 603 | M | 24.3 | Very low | 25.8 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 60% | 0.596 | 63% | 0.632 | S | S | * | * | 20.6 | 135.6 | 89.9 | -16.6 | 178.1 | -146.9 | 0 | 0 | 113.9 | N1585 N1586 | M603-N1585 CarbonylContact O-C 3.23Å; M603-N1586 PolarHBondContact O-N 3.5Å; M603-N1586 VanDerWaalsContact O-N 3.14Å | |||
| 604 | T | 25.4 | Very low | 25.7 | Very low | 97 Ų | 97 | 119.3 Ų | 119.3 | 60% | 0.595 | 63% | 0.625 | S | S | * | * | cis | -94.7 | 152.4 | 13.2 | 55.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 605 | N | 23.1 | Very low | 25.8 | Very low | 133 Ų | 133 | 116.2 Ų | 116.2 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | cis | 53.4 | 154 | 48.2 | -166.7 | 16.3 | 0 | 0 | 0 | 110.4 | ||||
| 606 | R | 24.9 | Very low | 25.9 | Very low | 189 Ų | 189 | 115.9 Ų | 115.9 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | 63.6 | 147.5 | -167.8 | -49.6 | -167.2 | 160.9 | 136 | 0.9 | 113.9 | ||||
| 607 | H | 25.6 | Very low | 26.1 | Very low | 123 Ų | 123 | 113 Ų | 113 | 57% | 0.569 | 61% | 0.606 | S | S | * | * | cis | -138.8 | 152.4 | -31.6 | -108.3 | -42 | 0 | 0 | 0 | 105.5 | ||||
| 608 | E | 25.8 | Very low | 26.1 | Very low | 139 Ų | 139 | 112.2 Ų | 112.2 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | 65.5 | 126.5 | 117.2 | -64.3 | 172.3 | 171.9 | 0 | 0 | 114.9 | |||||
| 609 | N | 25.6 | Very low | 26.2 | Very low | 125 Ų | 125 | 115.1 Ų | 115.1 | 67% | 0.668 | 62% | 0.615 | S | S | * | * | cis | -171.1 | -149.7 | -1.6 | -128.4 | -8.3 | 0 | 0 | 0 | 108 | ||||
| 610 | T | 27.3 | Very low | 26.6 | Very low | 99 Ų | 99 | 113 Ų | 113 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | 18.9 | 127.4 | 129.6 | 68.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 611 | N | 26.1 | Very low | 26.6 | Very low | 123 Ų | 123 | 114.7 Ų | 114.7 | 66% | 0.658 | 61% | 0.607 | S | S | * | * | cis | -160.7 | 179.4 | 4.3 | -116.1 | -1 | 0 | 0 | 0 | 109.1 | ||||
| 612 | Y | 28.2 | Very low | 26.4 | Very low | 159 Ų | 159 | 113.3 Ų | 113.3 | 62% | 0.624 | 60% | 0.597 | S | S | * | * | 24.6 | 127.2 | 91.1 | -47.9 | -115.9 | 0 | 0 | 0 | 112.4 | E614 | Y612-E614 HydrophobicContact CD1-CB 4.1Å; Y612-E614 WeakPolarHBondContact CD1-OE2 3.44Å; Y612-E614 VanDerWaalsContact CE1-OE2 3.25Å; Y612-E614 WeakPolarHBondContact CE1-OE2 3.11Å | |||
| 613 | C | 28.6 | Very low | 26.3 | Very low | 115 Ų | 115 | 114.8 Ų | 114.8 | 78% | 0.777 | 62% | 0.617 | S | S | * | * | cis | -133 | 137.1 | 43.9 | -75.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 614 | E | 32.3 | Very low | 26.2 | Very low | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | cis | 53.6 | 98.3 | 24.6 | -144.9 | -173.2 | -117.6 | 0 | 0 | 112.8 | Y612 L616 | Y612-E614 HydrophobicContact CD1-CB 4.1Å; Y612-E614 WeakPolarHBondContact CD1-OE2 3.44Å; Y612-E614 VanDerWaalsContact CE1-OE2 3.25Å; Y612-E614 WeakPolarHBondContact CE1-OE2 3.11Å; E614-L616 HydrophobicContact CG-CG 4.16Å; E614-L616 VanDerWaalsContact OE2-CD2 3.31Å; E614-L616 WeakPolarHBondContact OE2-CD2 3.45Å | ||
| 615 | P | 25.2 | Very low | 26 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 78% | 0.779 | 62% | 0.624 | S | S | * | * | -92.6 | 130.6 | 119.1 | -24.1 | 35.9 | 0 | 0 | 0 | 109.9 | |||||
| 616 | L | 29 | Very low | 26 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | cis | 55.3 | 92.3 | 47.4 | -49.8 | 164 | 0 | 0 | 0 | 108 | E614 P618 | E614-L616 HydrophobicContact CG-CG 4.16Å; E614-L616 VanDerWaalsContact OE2-CD2 3.31Å; E614-L616 WeakPolarHBondContact OE2-CD2 3.45Å; L616-P618 WeakPolarHBondContact O-CD 3.38Å | ||
| 617 | S | 29.7 | Very low | 25.8 | Very low | 77 Ų | 77 | 109.8 Ų | 109.8 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | 29.2 | 85.4 | 72.4 | 79.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 618 | P | 25.9 | Very low | 25.7 | Very low | 123 Ų | 123 | 107 Ų | 107 | 80% | 0.799 | 61% | 0.611 | S | S | * | * | -70.3 | 100.9 | 119 | 32.7 | -25.2 | 0 | 0 | 0 | 106.2 | L616 | L616-P618 WeakPolarHBondContact O-CD 3.38Š| |||
| 619 | L | 28.9 | Very low | 25.6 | Very low | 130 Ų | 130 | 102.8 Ų | 102.8 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | cis | 30.6 | 96.2 | 41.5 | -95.9 | 178.6 | 0 | 0 | 0 | 114.2 | ||||
| 620 | H | 30.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 104.6 Ų | 104.6 | 52% | 0.523 | 61% | 0.607 | S | S | . | * | trans | 69.8 | 91.2 | 147.9 | -95.1 | -154.2 | 0 | 0 | 0 | 117.5 | G390 G391 | G390-H620 CarbonylContact C-O 3.55Å; G390-H620 WeakPolarHBondContact CA-O 3.39Å; G390-H620 PolarHBondContact N-O 3.46Å; G391-H620 VanDerWaalsContact N-C 3.3Å; G391-H620 PolarHBondContact N-O 3.12Å; G391-H620 CarbonylContact O-C 3.46Å; G391-H620 WeakPolarHBondContact O-CA 3.28Å; G391-H620 WeakPolarHBondContact O-CB 3.39Å; G391-H620 PolarHBondContact O-CD2 3.39Å | ||
| 621 | L | 22.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 61% | 0.61 | S | S | * | * | trans | -131 | 122.5 | 132.2 | -179.6 | 68.3 | 0 | 0 | 0 | 105.8 | H388 I389 G391 | H388-L621 WeakPolarHBondContact O-CD2 3.48Å; I389-L621 VanDerWaalsContact C-CD1 3.48Å; I389-L621 HydrophobicContact CB-CD1 3.85Å; I389-L621 HydrophobicContact CG2-CD1 3.53Å; G391-L621 CarbonylContact O-C 3.28Å; G391-L621 WeakPolarHBondContact O-CA 3.37Å; G391-L621 PolarHBondContact O-N 3.08Å | ||
| 622 | S | 20.9 | Very low | 25.6 | Very low | 41 Ų | 41 | 108 Ų | 108 | 29% | 0.287 | 61% | 0.61 | S | S | . | * | cis | 78.7 | 157.6 | 40.7 | 147.6 | 0 | 0 | 0 | 0 | 113.8 | G390 G391 L392 | G390-S622 WeakPolarHBondContact O-CB 3.23Å; G390-S622 PolarHBondContact O-OG 2.96Å; G391-S622 WeakPolarHBondContact O-CB 3.27Å; G391-S622 PolarHBondContact O-N 2.9Å; L392-S622 VanDerWaalsContact N-CB 3.31Å | ||
| 623 | A | 21.9 | Very low | 25.5 | Very low | 76 Ų | 76 | 106 Ų | 106 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | trans | 51 | 75.4 | -166.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 624 | V | 21.3 | Very low | 25.4 | Very low | 95 Ų | 95 | 104.1 Ų | 104.1 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | 57 | 121.4 | 84.4 | 177.8 | 0 | 0 | 0 | 0 | 111 | |||||
| 625 | N | 22 | Very low | 25.3 | Very low | 145 Ų | 145 | 102.8 Ų | 102.8 | 78% | 0.775 | 60% | 0.601 | S | S | * | * | trans | 67.7 | 175.9 | 177.5 | -57.5 | -23.6 | 0 | 0 | 0 | 111.7 | ||||
| 626 | A | 22.5 | Very low | 25.2 | Very low | 84 Ų | 84 | 103.3 Ų | 103.3 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | cis | -145.4 | 138.9 | 12.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 627 | V | 21.6 | Very low | 25 | Very low | 112 Ų | 112 | 105.7 Ų | 105.7 | 68% | 0.679 | 60% | 0.601 | S | S | * | * | 55.3 | 108.3 | 119.5 | 176.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 628 | L | 23.4 | Very low | 24.7 | Very low | 63 Ų | 63 | 106 Ų | 106 | 33% | 0.33 | 60% | 0.603 | S | S | . | * | trans | 50.4 | 113.6 | 141.4 | -75.2 | 52.9 | 0 | 0 | 0 | 116.6 | L1231 | L628-L1231 HydrophobicContact CD2-CD2 3.52Å; L628-L1231 HydrophobicContact CD2-CG 4Å | ||
| 629 | G | 24.4 | Very low | 24.9 | Very low | 51 Ų | 51 | 105 Ų | 105 | 53% | 0.526 | 60% | 0.6 | S | S | . | * | cis | 81.4 | -157.7 | 40.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 630 | K | 28.6 | Very low | 25.3 | Very low | 164 Ų | 164 | 104 Ų | 104 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | trans | 73 | 121.9 | -156.4 | -52.7 | 179.1 | -179.2 | 173.5 | 0 | 109.4 | ||||
| 631 | K | 25.9 | Very low | 25.2 | Very low | 155 Ų | 155 | 103 Ų | 103 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | 73 | 137.8 | 97.4 | -69.9 | 169.1 | 149.3 | -82.3 | 0 | 112.1 | |||||
| 632 | E | 24.6 | Very low | 25.5 | Very low | 139 Ų | 139 | 102.8 Ų | 102.8 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | cis | -156.5 | 166.9 | 2.1 | -123.1 | 153.1 | 162.1 | 0 | 0 | 110.4 | ||||
| 633 | V | 25.4 | Very low | 25.8 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 71% | 0.709 | 64% | 0.636 | S | S | * | * | trans | 39.5 | 111.1 | 143.9 | 167.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 634 | C | 25.5 | Very low | 26.1 | Very low | 75 Ų | 75 | 107.8 Ų | 107.8 | 51% | 0.507 | 64% | 0.636 | S | S | . | * | 61 | 150.5 | 75.6 | -75.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 635 | P | 30.2 | Very low | 26.4 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 47% | 0.468 | 65% | 0.645 | S | S | . | * | cis | -145.4 | -160.2 | -25.9 | 39.8 | -19.3 | 0 | 0 | 0 | 113.9 | H1221 | P635-H1221 VanDerWaalsContact CB-CE1 3.4Å; P635-H1221 WeakPolarHBondContact CB-CE1 2.99Å; P635-H1221 WeakPolarHBondContact CB-NE2 3.43Å | ||
| 636 | E | 24.4 | Very low | 26.7 | Very low | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | trans | 68.7 | 157.9 | 151.3 | -72.1 | -177.4 | 127.2 | 0 | 0 | 118.7 | ||||
| 637 | Q | 23.2 | Very low | 27.1 | Very low | 151 Ų | 151 | 108.9 Ų | 108.9 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | cis | -150.9 | 170.2 | -3.3 | -129.2 | 172.1 | 37.8 | 0 | 0 | 112.5 | ||||
| 638 | S | 24 | Very low | 27.4 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 57% | 0.573 | 64% | 0.641 | S | S | * | * | trans | -20.7 | 142.3 | 161.7 | 48.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 639 | S | 29.9 | Very low | 27.7 | Very low | 104 Ų | 104 | 109.6 Ų | 109.6 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | 64.8 | 156.5 | 51.4 | 93 | 0 | 0 | 0 | 0 | 115 | |||||
| 640 | P | 37.5 | Very low | 28 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | cis | -142.8 | -164.1 | -33.5 | 34.1 | -10.6 | 0 | 0 | 0 | 114.2 | ||||
| 641 | S | 27.9 | Very low | 28.1 | Very low | 91 Ų | 91 | 108 Ų | 108 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | 72.3 | 109.5 | 135.9 | 66.7 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 642 | S | 29.2 | Very low | 28.4 | Very low | 102 Ų | 102 | 106 Ų | 106 | 71% | 0.713 | 64% | 0.643 | S | S | * | * | 91 | 164.9 | 109 | 78.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 643 | L | 27.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 104 Ų | 104 | 76% | 0.764 | 64% | 0.639 | S | S | * | * | trans | 75.1 | 148.5 | 171.2 | -53.5 | 176.8 | 0 | 0 | 0 | 116.5 | F1089 | L643-F1089 HydrophobicContact CD2-CE2 4.38Š| ||
| 644 | A | 28.2 | Very low | 28.6 | Very low | 76 Ų | 76 | 105.2 Ų | 105.2 | 63% | 0.628 | 64% | 0.641 | S | S | * | * | cis | -139.2 | 157.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 645 | S | 28.4 | Very low | 28.6 | Very low | 109 Ų | 109 | 107.2 Ų | 107.2 | 76% | 0.762 | 65% | 0.651 | S | S | * | * | 48.3 | 142.4 | 86.9 | 103.5 | 0 | 0 | 0 | 0 | 115 | |||||
| 646 | S | 29 | Very low | 28.7 | Very low | 94 Ų | 94 | 108.7 Ų | 108.7 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | cis | -151.5 | -162.9 | 12.7 | -47.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 647 | D | 29 | Very low | 29 | Very low | 145 Ų | 145 | 108 Ų | 108 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | cis | -160.2 | 178.4 | -0.8 | -136.4 | -43.5 | 0 | 0 | 0 | 112.7 | ||||
| 648 | S | 27.9 | Very low | 29.2 | Very low | 91 Ų | 91 | 110.7 Ų | 110.7 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | 52 | 114.7 | 155.3 | -118.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 649 | S | 29.9 | Very low | 29.3 | Very low | 99 Ų | 99 | 110.2 Ų | 110.2 | 69% | 0.692 | 67% | 0.674 | S | S | * | * | 71.2 | 152.1 | 64.6 | 106.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 650 | S | 31 | Very low | 29.1 | Very low | 88 Ų | 88 | 108.1 Ų | 108.1 | 62% | 0.615 | 66% | 0.66 | S | S | * | * | cis | -164.2 | 154.5 | -3.4 | 26.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 651 | E | 31.7 | Very low | 28.4 | Very low | 92 Ų | 92 | 111.6 Ų | 111.6 | 43% | 0.43 | 66% | 0.664 | S | S | . | * | trans | 42.8 | 142.4 | 132.5 | -56.6 | -159.3 | 138.2 | 0 | 0 | 121.7 | ||||
| 652 | H | 31 | Very low | 28.3 | Very low | 115 Ų | 115 | 110.3 Ų | 110.3 | 53% | 0.532 | 66% | 0.655 | S | S | . | * | cis | -178.5 | -178.3 | 28.1 | -136.9 | 19.7 | 0 | 0 | 0 | 111.6 | T2000 | H652-T2000 HydrophobicContact CB-CG2 3.79Š| ||
| 653 | V | 28.5 | Very low | 28 | Very low | 95 Ų | 95 | 110.4 Ų | 110.4 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | trans | 71.5 | 136.7 | 142.1 | 153.1 | 0 | 0 | 0 | 0 | 119.1 | T2000 | V653-T2000 HydrophobicContact CB-CG2 4.33Å; V653-T2000 HydrophobicContact CG2-CG2 3.91Å | ||
| 654 | L | 25.9 | Very low | 27.7 | Very low | 144 Ų | 144 | 108.2 Ų | 108.2 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | cis | -173 | -175.9 | -25.9 | -125.8 | -173.7 | 0 | 0 | 0 | 108 | ||||
| 655 | V | 25.1 | Very low | 27.4 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 66% | 0.655 | S | S | * | * | trans | 66.8 | 124.6 | 167.2 | -130 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 656 | S | 33.9 | Very low | 27.2 | Very low | 104 Ų | 104 | 108.9 Ų | 108.9 | 73% | 0.727 | 65% | 0.653 | S | S | * | * | cis | 59.3 | 154.6 | 48.7 | -60 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 657 | P | 29.4 | Very low | 26.8 | Very low | 115 Ų | 115 | 108.8 Ų | 108.8 | 75% | 0.747 | 65% | 0.652 | S | S | * | * | cis | -107 | 168.7 | 17.9 | 10.3 | 15 | 0 | 0 | 0 | 113.2 | ||||
| 658 | R | 29 | Very low | 26.5 | Very low | 209 Ų | 209 | 106.1 Ų | 106.1 | 79% | 0.789 | 64% | 0.644 | S | S | * | * | cis | 68.2 | 67.4 | 44.4 | -162.3 | -167.2 | 175.8 | 173.8 | 0.1 | 114.8 | ||||
| 659 | A | 24.3 | Very low | 26.3 | Very low | 71 Ų | 71 | 103.4 Ų | 103.4 | 59% | 0.587 | 62% | 0.623 | S | S | * | * | trans | -140.8 | 123 | 140.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | F661 | A659-F661 HydrophobicContact CB-CD2 4.01Å; A659-F661 HydrophobicContact CB-CE2 3.93Å | ||
| 660 | S | 25.7 | Very low | 25.9 | Very low | 61 Ų | 61 | 100.2 Ų | 100.2 | 43% | 0.427 | 60% | 0.603 | S | S | . | * | cis | 57.3 | 53.7 | 36.3 | 88.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 661 | F | 24.8 | Very low | 25.5 | Very low | 181 Ų | 181 | 99.4 Ų | 99.4 | 79% | 0.794 | 60% | 0.597 | S | S | * | * | trans | -97.3 | 78.3 | 152.5 | -82 | -75 | 0 | 0 | 0 | 111 | A659 | A659-F661 HydrophobicContact CB-CD2 4.01Å; A659-F661 HydrophobicContact CB-CE2 3.93Å | ||
| 662 | S | 24.2 | Very low | 25.2 | Very low | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | trans | -50.1 | 127.4 | 144.6 | 49.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 663 | S | 23.6 | Very low | 24.9 | Very low | 104 Ų | 104 | 104.6 Ų | 104.6 | 73% | 0.727 | 62% | 0.622 | S | S | * | * | trans | -164.1 | 141.3 | 158.7 | 47.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 664 | S | 21.9 | Very low | 24.9 | Very low | 100 Ų | 100 | 106.7 Ų | 106.7 | 70% | 0.699 | 62% | 0.623 | S | S | * | * | cis | -171.4 | -178.6 | -26.2 | 46 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 665 | S | 22 | Very low | 24.9 | Very low | 96 Ų | 96 | 105 Ų | 105 | 67% | 0.671 | 61% | 0.614 | S | S | * | * | trans | 29.1 | 114.3 | 143.5 | 59.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 666 | S | 22.8 | Very low | 25 | Very low | 103 Ų | 103 | 101.4 Ų | 101.4 | 72% | 0.72 | 59% | 0.591 | S | S | * | * | 178 | 150.1 | 72 | 41 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 667 | S | 22.3 | Very low | 24.9 | Very low | 92 Ų | 92 | 102.4 Ų | 102.4 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | cis | 60.4 | 153.2 | 47.7 | 82.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 668 | C | 21.9 | Very low | 24.8 | Very low | 89 Ų | 89 | 99.7 Ų | 99.7 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | trans | 66 | 156.5 | 177.9 | -62.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 669 | T | 22.6 | Very low | 24.8 | Very low | 34 Ų | 34 | 94.6 Ų | 94.6 | 21% | 0.209 | 55% | 0.554 | C | S | . | * | cis | 83.9 | 97.6 | 15.2 | 85.3 | 0 | 0 | 0 | 0 | 113.5 | L3 L5 F7 | L3-T669 WeakPolarHBondContact CB-O 3.2Å; L3-T669 WeakPolarHBondContact O-CB 3.09Å; L3-T669 PolarHBondContact O-OG1 2.81Å; L5-T669 HydrophobicContact CB-CG2 3.82Å; F7-T669 HydrophobicContact CE2-CG2 4.12Å | ||
| 670 | A | 22.7 | Very low | 25 | Very low | 31 Ų | 31 | 94.5 Ų | 94.5 | 26% | 0.256 | 55% | 0.553 | S | S | . | * | cis | -163.5 | -178.2 | -0.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L3 K4 L5 | L3-A670 HydrophobicContact CB-CB 3.74Å; K4-A670 VanDerWaalsContact O-CB 3.28Å; K4-A670 WeakPolarHBondContact O-CB 3.47Å; L5-A670 HydrophobicContact CB-CB 4.46Å; L5-A670 HydrophobicContact CD2-CB 4.39Å; L5-A670 HydrophobicContact CG-CB 3.76Å | ||
| 671 | S | 22.8 | Very low | 25 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | trans | 22.4 | 130.3 | 142 | -56.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 672 | I | 25.4 | Very low | 25 | Very low | 146 Ų | 146 | 93.4 Ų | 93.4 | 75% | 0.749 | 56% | 0.555 | S | S | * | * | trans | 61.5 | 101.7 | 139.6 | -55.9 | 165.3 | 0 | 0 | 0 | 114 | ||||
| 673 | K | 25.2 | Very low | 25.2 | Very low | 170 Ų | 170 | 97 Ų | 97 | 74% | 0.739 | 56% | 0.564 | S | S | * | * | -144 | 151.2 | 59.2 | -95.7 | 117.7 | -177.8 | -169.9 | 0 | 109.9 | |||||
| 674 | K | 27.4 | Very low | 25.3 | Very low | 138 Ų | 138 | 99.5 Ų | 99.5 | 60% | 0.6 | 57% | 0.565 | S | S | * | * | 67.2 | 149.6 | 58.8 | -156.4 | -151 | 173.3 | -153.7 | 0 | 111 | K2048 | K674-K2048 WeakPolarHBondContact CE-O 3.37Å; K674-K2048 PolarHBondContact NZ-O 3.31Å | |||
| 675 | I | 26.4 | Very low | 25.4 | Very low | 109 Ų | 109 | 98.9 Ų | 98.9 | 56% | 0.559 | 56% | 0.56 | S | S | * | * | trans | 94 | 118.3 | 170.4 | -53.3 | 152.5 | 0 | 0 | 0 | 115.4 | ||||
| 676 | D | 26.5 | Very low | 25.4 | Very low | 41 Ų | 41 | 100 Ų | 100 | 22% | 0.219 | 57% | 0.566 | C | S | . | * | cis | -165.1 | 133.8 | -32.1 | -111.6 | -57.6 | 0 | 0 | 0 | 112 | V678 E2049 | D676-V678 HydrophobicContact CB-CG2 4.48Å; D676-V678 WeakPolarHBondContact O-CG2 3.4Å; D676-E2049 WeakPolarHBondContact OD2-CA 3.32Å; D676-E2049 PolarHBondContact OD2-N 3.49Å | ||
| 677 | L | 31.6 | Very low | 25.5 | Very low | 125 Ų | 125 | 100 Ų | 100 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | trans | 54 | -148.4 | 136.5 | -90.2 | 50.4 | 0 | 0 | 0 | 116.1 | E2049 | L677-E2049 HydrophobicContact CB-CG 4.17Å; L677-E2049 HydrophobicContact CD2-CG 3.91Å | ||
| 678 | V | 28.3 | Very low | 25.6 | Very low | 58 Ų | 58 | 100.3 Ų | 100.3 | 35% | 0.352 | 57% | 0.569 | S | S | . | * | cis | -163.7 | 157.8 | 17.8 | -157.3 | 0 | 0 | 0 | 0 | 108.2 | D676 E2049 Y2050 | D676-V678 HydrophobicContact CB-CG2 4.48Å; D676-V678 WeakPolarHBondContact O-CG2 3.4Å; V678-E2049 HydrophobicContact CB-CG 4.42Å; V678-E2049 HydrophobicContact CG1-CG 3.51Å; V678-E2049 HydrophobicContact CG2-CG 4.06Å; V678-Y2050 HydrophobicContact CB-CD1 4.04Å; V678-Y2050 HydrophobicContact CB-CE1 3.72Å; V678-Y2050 HydrophobicContact CG1-CD1 3.9Å; V678-Y2050 HydrophobicContact CG1-CD2 3.98Å; V678-Y2050 HydrophobicContact CG1-CE1 3.49Å; V678-Y2050 VanDerWaalsContact CG1-CE1 3.49Å; V678-Y2050 HydrophobicContact CG1-CE2 3.56Å; V678-Y2050 HydrophobicContact CG1-CG 4.14Å; V678-Y2050 HydrophobicContact CG2-CD1 3.57Å; V678-Y2050 HydrophobicContact CG2-CE1 3.8Å; V678-Y2050 HydrophobicContact CG2-CG 4.08Å | ||
| 679 | H | 28.8 | Very low | 25.8 | Very low | 101 Ų | 101 | 100.3 Ų | 100.3 | 47% | 0.468 | 57% | 0.57 | S | S | . | * | cis | -121.5 | 153.8 | -3 | -148 | -149.6 | 0 | 0 | 0 | 106 | K2048 E2049 | H679-K2048 PolarHBondContact NE2-NZ 2.96Å; H679-E2049 IonicContact CD2-OE1 2.72Å; H679-E2049 PolarHBondContact CD2-OE1 3.29Å; H679-E2049 IonicContact CD2-OE2 2.58Å; H679-E2049 PolarHBondContact CD2-OE2 3.05Å; H679-E2049 VanDerWaalsContact CD2-OE2 3.32Å; H679-E2049 IonicContact NE2-OE1 3Å; H679-E2049 IonicContact NE2-OE2 3.36Å; H679-E2049 PolarHBondContact NE2-OE2 2.75Å | ||
| 680 | A | 27.6 | Very low | 25.9 | Very low | 70 Ų | 70 | 104.6 Ų | 104.6 | 58% | 0.579 | 60% | 0.596 | S | S | * | * | 44.9 | 153.1 | 96.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 681 | A | 25.8 | Very low | 26.1 | Very low | 65 Ų | 65 | 107.4 Ų | 107.4 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | cis | -157.7 | 144.2 | 22.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 682 | Q | 25.8 | Very low | 26.3 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 72% | 0.72 | 62% | 0.624 | S | S | * | * | trans | 60.8 | 166.4 | 135.1 | -62.6 | 163.4 | -116.7 | 0 | 0 | 120.3 | ||||
| 683 | H | 28.3 | Very low | 26.3 | Very low | 139 Ų | 139 | 106.5 Ų | 106.5 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | trans | 65.4 | 136.6 | 169.5 | -55.9 | -78 | 0 | 0 | 0 | 115.6 | ||||
| 684 | Q | 25.3 | Very low | 26.4 | Very low | 157 Ų | 157 | 103 Ų | 103 | 73% | 0.734 | 62% | 0.617 | S | S | * | * | cis | -155.5 | 163.8 | -12.5 | -137.8 | 154.9 | -7.1 | 0 | 0 | 112.8 | ||||
| 685 | S | 23.6 | Very low | 26.4 | Very low | 87 Ų | 87 | 100.8 Ų | 100.8 | 61% | 0.608 | 62% | 0.619 | S | S | * | * | trans | 22.4 | 132.1 | 145.8 | 59.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 686 | C | 22.6 | Very low | 26.3 | Very low | 118 Ų | 118 | 102 Ų | 102 | 80% | 0.797 | 63% | 0.627 | S | S | * | * | trans | 77.9 | 160.1 | 132.1 | -67.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 687 | S | 23.8 | Very low | 26.3 | Very low | 105 Ų | 105 | 106 Ų | 106 | 73% | 0.734 | 66% | 0.658 | S | S | * | * | trans | 50.9 | 132.5 | 144.1 | 49.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 688 | S | 25.8 | Very low | 26 | Very low | 97 Ų | 97 | 107.5 Ų | 107.5 | 68% | 0.678 | 67% | 0.665 | S | S | * | * | cis | -173.6 | -154.4 | -13.8 | 34.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 689 | S | 25.8 | Very low | 25.8 | Very low | 89 Ų | 89 | 111.6 Ų | 111.6 | 62% | 0.622 | 69% | 0.69 | S | S | * | * | 45.3 | 127.6 | 126.9 | 66.3 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 690 | T | 24.8 | Very low | 25.8 | Very low | 124 Ų | 124 | 116 Ų | 116 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | cis | -166.3 | 159.3 | 9 | -1.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 691 | S | 26.2 | Very low | 25.9 | Very low | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | 50.4 | 119 | 131.4 | 85.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 692 | S | 27.5 | Very low | 26 | Very low | 103 Ų | 103 | 120.9 Ų | 120.9 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | 85.5 | 168.2 | 87.2 | 85.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 693 | S | 25.8 | Very low | 26 | Very low | 97 Ų | 97 | 121.9 Ų | 121.9 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | cis | -130.4 | 170.6 | 7.7 | -58.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 694 | S | 26.3 | Very low | 26.1 | Very low | 96 Ų | 96 | 122.9 Ų | 122.9 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | trans | -27.1 | 161.6 | 147.5 | 58.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 695 | S | 27.5 | Very low | 26.5 | Very low | 92 Ų | 92 | 118.6 Ų | 118.6 | 64% | 0.643 | 73% | 0.73 | S | S | * | * | 177.5 | 159.7 | 74.9 | -73.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 696 | N | 25.4 | Very low | 26.6 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | cis | -154.7 | 148.7 | -9.2 | -99.5 | -13.6 | 0 | 0 | 0 | 107.9 | ||||
| 697 | S | 26.7 | Very low | 26.9 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 87% | 0.867 | 74% | 0.737 | S | S | * | * | trans | -172 | 127 | 132.4 | 17.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 698 | I | 24.2 | Very low | 27.1 | Very low | 157 Ų | 157 | 121.8 Ų | 121.8 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | trans | -103.7 | 127.1 | 175.1 | -68.1 | 163.6 | 0 | 0 | 0 | 106.4 | ||||
| 699 | T | 25.1 | Very low | 27.3 | Very low | 143 Ų | 143 | 124.6 Ų | 124.6 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | trans | -174.2 | 145.3 | 133.3 | 18.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 700 | Q | 28.6 | Very low | 27.5 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 90% | 0.902 | 72% | 0.724 | S | S | * | * | trans | -68.4 | 122.2 | -175.7 | 163.7 | -175.6 | -20.5 | 0 | 0 | 114.8 | ||||
| 701 | A | 28.5 | Very low | 27.6 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -165.7 | 131.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 702 | D | 27.6 | Very low | 27.5 | Very low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | trans | 51.7 | 106.9 | 151.2 | -58.7 | -13 | 0 | 0 | 0 | 126.5 | ||||
| 703 | F | 27.6 | Very low | 27.4 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 77% | 0.768 | 74% | 0.74 | S | S | * | * | 61 | 92.9 | 127.8 | -79.5 | -88.2 | 0 | 0 | 0 | 123.7 | |||||
| 704 | E | 30.5 | Very low | 27.4 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 51.7 | 150.7 | 104.3 | -69.8 | -146 | 131.1 | 0 | 0 | 122.4 | |||||
| 705 | A | 32.2 | Very low | 27.2 | Very low | 66 Ų | 66 | 136.8 Ų | 136.8 | 55% | 0.545 | 75% | 0.752 | S | S | . | * | cis | -165.6 | 148.3 | -1.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 706 | N | 27 | Very low | 27.1 | Very low | 145 Ų | 145 | 136.3 Ų | 136.3 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | trans | 57.7 | 167.8 | 136.9 | -57.7 | -31 | 0 | 0 | 0 | 124.3 | ||||
| 707 | E | 27.9 | Very low | 27 | Very low | 168 Ų | 168 | 134 Ų | 134 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | -169.4 | 159.4 | -75.6 | -112.1 | -106.7 | 97 | 0 | 0 | 112.3 | |||||
| 708 | A | 28.6 | Very low | 26.9 | Very low | 65 Ų | 65 | 133.4 Ų | 133.4 | 54% | 0.537 | 75% | 0.75 | S | S | . | * | trans | 55.9 | 92.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 709 | R | 29.7 | Very low | 27 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 59% | 0.589 | 75% | 0.749 | S | S | * | * | 65.6 | 127.4 | 108 | -71 | 168.6 | 171.8 | 178.3 | -1.9 | 125.8 | H1866 | R709-H1866 PolarHBondContact NH1-CD2 2.91Å; R709-H1866 PolarHBondContact NH1-NE2 2.79Å; R709-H1866 PolarHBondContact NH2-CD2 3.38Å; R709-H1866 VanDerWaalsContact NH2-CD2 3.31Å; R709-H1866 PolarHBondContact NH2-CE1 2.96Å; R709-H1866 PolarHBondContact NH2-NE2 2.84Å | |||
| 710 | K | 30.4 | Very low | 27 | Very low | 147 Ų | 147 | 131.1 Ų | 131.1 | 64% | 0.639 | 74% | 0.74 | S | S | * | * | 83.7 | 124.6 | 125.4 | -84.8 | -165.3 | 169.6 | -162.6 | 0 | 123.4 | |||||
| 711 | T | 26.2 | Very low | 26.9 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | trans | 60.7 | 140.7 | 142 | 50.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 712 | S | 24.7 | Very low | 26.8 | Very low | 102 Ų | 102 | 125.4 Ų | 125.4 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | cis | -165.1 | 153.8 | 2 | 45 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 713 | F | 24.1 | Very low | 26.9 | Very low | 216 Ų | 216 | 122.2 Ų | 122.2 | 95% | 0.947 | 71% | 0.705 | S | S | * | * | trans | 32 | 116.1 | 156.4 | -80.4 | -87.9 | 0 | 0 | 0 | 121.1 | ||||
| 714 | G | 25.8 | Very low | 26.9 | Very low | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | trans | 177.7 | 134.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 715 | F | 24 | Very low | 26.7 | Very low | 184 Ų | 184 | 116.3 Ų | 116.3 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | trans | -91.6 | 162.8 | 161.6 | -85.6 | -100.1 | 0 | 0 | 0 | 108.1 | N1822 | F715-N1822 VanDerWaalsContact CE1-ND2 3.29Å; F715-N1822 WeakPolarHBondContact CE1-ND2 3.37Å; F715-N1822 VanDerWaalsContact CZ-ND2 3.32Å; F715-N1822 WeakPolarHBondContact CZ-ND2 3.4Å | ||
| 716 | A | 23.9 | Very low | 26.5 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | cis | -156.2 | 166.8 | 15.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 717 | A | 24 | Very low | 26.4 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 71% | 0.711 | 69% | 0.687 | S | S | * | * | trans | 59.5 | 145 | 138.8 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 718 | S | 24.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | trans | 68.8 | 148.2 | 159.9 | 70.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 719 | L | 25.2 | Very low | 26.2 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | cis | -161.9 | 159 | -14.2 | -115.5 | 171.9 | 0 | 0 | 0 | 108.8 | ||||
| 720 | C | 26 | Very low | 26.5 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 68% | 0.676 | 71% | 0.708 | S | S | * | * | trans | 63.8 | 152.3 | 160.9 | -61.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 721 | T | 26.6 | Very low | 26.5 | Very low | 83 Ų | 83 | 118.9 Ų | 118.9 | 51% | 0.509 | 71% | 0.711 | S | S | . | * | cis | -168.1 | 157.1 | -17.6 | 21.7 | 0 | 0 | 0 | 0 | 107.1 | H2286 | T721-H2286 HydrophobicContact CG2-CB 4.49Š| ||
| 722 | S | 26.7 | Very low | 26.7 | Very low | 83 Ų | 83 | 116 Ų | 116 | 58% | 0.58 | 70% | 0.696 | S | S | * | * | trans | 59.6 | 155.7 | 151.3 | 63.8 | 0 | 0 | 0 | 0 | 118 | H2286 | S722-H2286 PolarHBondContact N-O 2.95Š| ||
| 723 | A | 28.6 | Very low | 26.8 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 64% | 0.636 | 68% | 0.681 | S | S | * | * | cis | -168.8 | 166.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 724 | N | 28.1 | Very low | 27 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 57% | 0.572 | 67% | 0.668 | S | S | * | * | cis | -151.6 | 174.4 | -7.7 | -121.4 | -21.3 | 0 | 0 | 0 | 111.1 | D2287 | N724-D2287 PolarHBondContact OD1-O 3.36Š| ||
| 725 | N | 26.9 | Very low | 27 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | trans | -8.7 | 150.5 | 140.2 | -43.5 | -31.2 | 0 | 0 | 0 | 115.6 | ||||
| 726 | V | 27.6 | Very low | 27 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 78% | 0.782 | 66% | 0.663 | S | S | * | * | -157.2 | 106.6 | 57.3 | 159.8 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 727 | T | 25.7 | Very low | 27.1 | Very low | 86 Ų | 86 | 118.3 Ų | 118.3 | 53% | 0.528 | 68% | 0.677 | S | S | . | * | 52.2 | 112.2 | 87.2 | 63.7 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 728 | F | 25.1 | Very low | 27.1 | Very low | 188 Ų | 188 | 117.6 Ų | 117.6 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | trans | 66.8 | 155.2 | 131.3 | -67.5 | -152.7 | 0 | 0 | 0 | 116 | ||||
| 729 | K | 26.3 | Very low | 27.2 | Very low | 188 Ų | 188 | 120.1 Ų | 120.1 | 82% | 0.817 | 68% | 0.682 | S | S | * | * | -156.3 | 136.7 | 50 | -81.1 | 176.6 | 179.2 | 169 | 0 | 114.5 | |||||
| 730 | S | 35.3 | Very low | 27.3 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 68% | 0.678 | S | S | * | * | trans | -46 | 151.4 | 143.4 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 731 | P | 31.4 | Very low | 27.3 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | -139 | 167 | 112.6 | 40.4 | -28.8 | 0 | 0 | 0 | 111.9 | |||||
| 732 | S | 29.3 | Very low | 27.5 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 48% | 0.476 | 70% | 0.698 | S | S | . | * | -180 | 169.8 | 57 | 42.1 | 0 | 0 | 0 | 0 | 113.6 | T574 | T574-S732 WeakPolarHBondContact CG2-OG 3.48Å; T574-S732 PolarHBondContact OG1-O 3.26Å; T574-S732 PolarHBondContact OG1-OG 2.88Å | |||
| 733 | K | 28.5 | Very low | 27.7 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 40% | 0.396 | 71% | 0.712 | S | S | . | * | trans | 65.1 | 72.3 | 166.1 | -57.3 | -172.7 | -166.3 | 174.6 | 0 | 118.9 | T574 R575 | T574-K733 WeakPolarHBondContact O-CD 3.36Å; T574-K733 WeakPolarHBondContact O-CE 3.41Å; T574-K733 PolarHBondContact O-NZ 2.9Å; T574-K733 WeakPolarHBondContact OG1-CB 3.2Å; T574-K733 WeakPolarHBondContact OG1-CD 3.49Å; T574-K733 VanDerWaalsContact OG1-CG 3.27Å; T574-K733 WeakPolarHBondContact OG1-CG 3.32Å; R575-K733 HydrophobicContact CB-CD 4.32Å; R575-K733 HydrophobicContact CG-CB 3.8Å; R575-K733 HydrophobicContact CG-CD 3.92Å; R575-K733 PolarHBondContact NE-O 2.68Å; R575-K733 VanDerWaalsContact NE-O 3.08Å | ||
| 734 | S | 28.2 | Very low | 27.8 | Very low | 98 Ų | 98 | 121.6 Ų | 121.6 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | 85.4 | 170.7 | 80.4 | 71.9 | 0 | 0 | 0 | 0 | 116 | R575 | R575-S734 PolarHBondContact NH2-O 2.82Å; R575-S734 PolarHBondContact NH2-OG 3.34Å; R575-S734 VanDerWaalsContact NH2-OG 3.12Å | |||
| 735 | N | 25.5 | Very low | 28 | Very low | 135 Ų | 135 | 122.1 Ų | 122.1 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | trans | -64.9 | 157.5 | -174.5 | -59.3 | -29.4 | 0 | 0 | 0 | 113.8 | R575 | R575-N735 PolarHBondContact NH2-O 2.86Š| ||
| 736 | T | 22.8 | Very low | 27.9 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | cis | -150.3 | 139.4 | 39.8 | 41.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 737 | R | 25.8 | Very low | 28 | Very low | 260 Ų | 260 | 122.7 Ų | 122.7 | 98% | 0.981 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 58.7 | 140.2 | -178.5 | -60 | -178.3 | 178.4 | 178.5 | -0.2 | 114.8 | ||
| 738 | G | 25.2 | Very low | 28.1 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | cis | -137.6 | 159.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 739 | L | 26.7 | Very low | 28.2 | Very low | 166 Ų | 166 | 114.9 Ų | 114.9 | 87% | 0.869 | 69% | 0.693 | S | S | * | * | trans | -107.3 | 126.5 | -143.6 | -72.7 | 164.1 | 0 | 0 | 0 | 116.7 | ||||
| 740 | S | 26.1 | Very low | 28.1 | Very low | 102 Ų | 102 | 108.8 Ų | 108.8 | 71% | 0.713 | 68% | 0.684 | S | S | * | * | trans | 29.2 | 143 | 134.7 | 67.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 741 | S | 25.8 | Very low | 27.6 | Very low | 120 Ų | 120 | 114 Ų | 114 | 84% | 0.839 | 69% | 0.688 | S | S | * | * | cis | -164.4 | 170.6 | 47.3 | 55.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 742 | S | 32.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 117.6 Ų | 117.6 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | trans | -149.1 | 155.1 | -177.1 | 59.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 743 | S | 31.2 | Very low | 27.2 | Very low | 125 Ų | 125 | 120.6 Ų | 120.6 | 87% | 0.874 | 70% | 0.703 | S | S | * | * | trans | 75.4 | 153.2 | 176.5 | 79.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 744 | G | 30.7 | Very low | 27 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | -112.4 | -140.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 745 | P | 30.6 | Very low | 26.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | cis | -137 | -178.8 | 11 | 41.9 | -24.1 | 0 | 0 | 0 | 116.1 | ||||
| 746 | T | 25.2 | Very low | 26.8 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 81.4 | 117.5 | 156.9 | -44.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 747 | F | 29.6 | Very low | 26.9 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 56% | 0.557 | 73% | 0.731 | S | S | * | * | trans | 4.8 | 143.7 | 143 | -73 | -84.9 | 0 | 0 | 0 | 118.8 | E2280 | F747-E2280 HydrophobicContact CD1-CG 3.67Å; F747-E2280 HydrophobicContact CE1-CG 3.81Å; F747-E2280 HydrophobicContact CG-CG 4.4Å | ||
| 748 | P | 28.6 | Very low | 26.9 | Very low | 59 Ų | 59 | 126.7 Ų | 126.7 | 38% | 0.383 | 72% | 0.716 | S | S | . | * | cis | -154.5 | 165.7 | 49.8 | 34.7 | -11.8 | 0 | 0 | 0 | 120.9 | S2281 Q2282 | P748-S2281 VanDerWaalsContact CB-CA 3.48Å; P748-Q2282 HydrophobicContact CB-CB 4.17Å; P748-Q2282 HydrophobicContact CB-CG 4.43Å; P748-Q2282 HydrophobicContact CG-CB 3.63Å; P748-Q2282 HydrophobicContact CG-CG 3.61Å; P748-Q2282 PolarHBondContact O-NE2 3.44Å | ||
| 749 | S | 26.5 | Very low | 27 | Very low | 50 Ų | 50 | 131 Ų | 131 | 35% | 0.35 | 72% | 0.717 | S | S | . | * | trans | 27.5 | 111.5 | 147.6 | 171.4 | 0 | 0 | 0 | 0 | 117.6 | Q2282 | S749-Q2282 PolarHBondContact O-NE2 2.81Å; S749-Q2282 PolarHBondContact O-OE1 2.89Å; S749-Q2282 PolarHBondContact OG-OE1 2.94Å | ||
| 750 | G | 24.8 | Very low | 26.9 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | cis | 111.6 | 151.5 | 49.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 751 | R | 24.7 | Very low | 26.9 | Very low | 211 Ų | 211 | 129.6 Ų | 129.6 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | 67.6 | 122.9 | -170.5 | -39.3 | 173.3 | -174.6 | -160.2 | -0.1 | 111.2 | ||||
| 752 | K | 26.1 | Very low | 27.1 | Very low | 183 Ų | 183 | 128.6 Ų | 128.6 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | cis | -156.4 | 169.2 | 42.4 | -77 | 179.4 | 179.6 | 174.8 | 0 | 111.8 | ||||
| 753 | L | 27.2 | Very low | 26.8 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 40.2 | 100.7 | 143.8 | -61.5 | 164.7 | 0 | 0 | 0 | 118.3 | H755 | L753-H755 HydrophobicContact CD2-CB 3.89Š| ||
| 754 | W | 24.2 | Very low | 26.8 | Very low | 248 Ų | 248 | 124.8 Ų | 124.8 | 94% | 0.939 | 70% | 0.7 | S | S | * | * | -99.4 | 114.3 | 115.5 | -95.1 | 71.2 | 0 | 0 | 0 | 107.2 | |||||
| 755 | H | 24.6 | Very low | 26.7 | Very low | 163 Ų | 163 | 125.2 Ų | 125.2 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | trans | -151.3 | 145.6 | 162.8 | -139.2 | -81.3 | 0 | 0 | 0 | 105 | L753 | L753-H755 HydrophobicContact CD2-CB 3.89Š| ||
| 756 | E | 23.9 | Very low | 26.7 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 74% | 0.743 | 68% | 0.68 | S | S | * | * | trans | 68.4 | 134.6 | -153.7 | -45.7 | -179.7 | 159.1 | 0 | 0 | 109.2 | ||||
| 757 | L | 25.2 | Very low | 27.3 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | cis | -137.3 | 162.2 | 28 | -63.6 | 165.4 | 0 | 0 | 0 | 109.5 | ||||
| 758 | I | 26.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 123.6 Ų | 123.6 | 67% | 0.667 | 67% | 0.673 | S | S | * | * | cis | -149.2 | 127.6 | -1 | -124.3 | 157.5 | 0 | 0 | 0 | 110 | ||||
| 759 | H | 26.2 | Very low | 27.2 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | trans | 55.5 | 150.9 | 141.9 | -69 | -125.3 | 0 | 0 | 0 | 125.3 | ||||
| 760 | S | 24.6 | Very low | 27.1 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | trans | 72.4 | 135.4 | 152.4 | -67.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 761 | N | 26.4 | Very low | 27.2 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | cis | -158.5 | 162.2 | -3.1 | -103.2 | 0.2 | 0 | 0 | 0 | 107.6 | ||||
| 762 | S | 29.4 | Very low | 27.3 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | cis | -174.5 | 137.6 | -12.7 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 763 | G | 27.2 | Very low | 27.2 | Very low | 78 Ų | 78 | 116.5 Ų | 116.5 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | 67.8 | 135.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 764 | G | 29.9 | Very low | 27.2 | Very low | 76 Ų | 76 | 112.9 Ų | 112.9 | 78% | 0.784 | 64% | 0.64 | S | S | * | * | cis | 143.9 | -149.6 | 8.8 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 765 | I | 30.1 | Very low | 27.2 | Very low | 79 Ų | 79 | 108.9 Ų | 108.9 | 41% | 0.405 | 63% | 0.625 | S | S | . | * | cis | -151.8 | 66 | 3.5 | -57.4 | -178.7 | 0 | 0 | 0 | 104.9 | I1661 S1662 C1663 | I765-I1661 CarbonylContact O-C 3.57Å; I765-S1662 VanDerWaalsContact CG2-CA 3.49Å; I765-S1662 CarbonylContact O-C 3.58Å; I765-S1662 WeakPolarHBondContact O-CA 3.35Å; I765-S1662 PolarHBondContact O-N 3.36Å; I765-C1663 VanDerWaalsContact C-N 3.3Å; I765-C1663 HydrophobicContact CG2-CB 3.38Å; I765-C1663 WeakPolarHBondContact CG2-SG 3.48Å; I765-C1663 PolarHBondContact O-N 2.93Å | ||
| 766 | L | 30.9 | Very low | 27.3 | Very low | 124 Ų | 124 | 108.4 Ų | 108.4 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | trans | 45.1 | -164.3 | 146.4 | -79.8 | 164.6 | 0 | 0 | 0 | 121.2 | ||||
| 767 | P | 36.7 | Very low | 27.3 | Very low | 63 Ų | 63 | 109.8 Ų | 109.8 | 41% | 0.409 | 62% | 0.622 | S | S | . | * | -133.7 | -174.5 | -74.9 | 39.4 | -21.1 | 0 | 0 | 0 | 116 | C1663 | P767-C1663 WeakPolarHBondContact CD-O 3.41Å; P767-C1663 VanDerWaalsContact CG-O 3.3Å; P767-C1663 WeakPolarHBondContact CG-O 3.3Å | |||
| 768 | L | 27.9 | Very low | 27.3 | Very low | 143 Ų | 143 | 113.6 Ų | 113.6 | 75% | 0.749 | 63% | 0.627 | S | S | * | * | 171 | 139.2 | 111.8 | -85 | 179.5 | 0 | 0 | 0 | 114.2 | |||||
| 769 | L | 27.5 | Very low | 27.8 | Very low | 154 Ų | 154 | 112.5 Ų | 112.5 | 81% | 0.806 | 63% | 0.628 | S | S | * | * | trans | 27.1 | 147.4 | 142.5 | -57.2 | 174.4 | 0 | 0 | 0 | 121.6 | ||||
| 770 | S | 25.8 | Very low | 27.7 | Very low | 72 Ų | 72 | 113.3 Ų | 113.3 | 50% | 0.503 | 63% | 0.633 | S | S | . | * | cis | -173.7 | 149.6 | -10.6 | 46.5 | 0 | 0 | 0 | 0 | 107.4 | H1831 | S770-H1831 PolarHBondContact OG-CE1 3.1Å; S770-H1831 PolarHBondContact OG-NE2 3.2Å; S770-H1831 VanDerWaalsContact OG-NE2 3.08Å | ||
| 771 | G | 26.2 | Very low | 27.7 | Very low | 54 Ų | 54 | 113 Ų | 113 | 56% | 0.557 | 63% | 0.631 | S | S | * | * | trans | -167.7 | 125.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 772 | L | 26.3 | Very low | 27.6 | Very low | 73 Ų | 73 | 114.8 Ų | 114.8 | 38% | 0.382 | 63% | 0.634 | S | S | . | * | trans | -148.1 | 146.1 | -144.1 | -52.6 | -178.9 | 0 | 0 | 0 | 109.5 | V1829 E1830 H1831 | L772-V1829 VanDerWaalsContact CD2-CA 3.45Å; L772-E1830 VanDerWaalsContact CB-N 3.34Å; L772-E1830 WeakPolarHBondContact CD1-O 3.26Å; L772-H1831 HydrophobicContact CB-CB 4.23Å; L772-H1831 HydrophobicContact CD1-CB 3.68Å; L772-H1831 WeakPolarHBondContact CD1-CD2 3.43Å; L772-H1831 HydrophobicContact CG-CB 4.47Å | ||
| 773 | S | 25.4 | Very low | 27.5 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 44% | 0.441 | 63% | 0.631 | S | S | . | * | cis | -135.9 | -141.8 | 20.3 | 85.5 | 0 | 0 | 0 | 0 | 121.6 | V1829 E1830 | S773-V1829 CarbonylContact C-O 3.1Å; S773-V1829 VanDerWaalsContact CA-CG1 3.48Å; S773-V1829 WeakPolarHBondContact CA-O 3.36Å; S773-V1829 WeakPolarHBondContact CB-O 3.28Å; S773-V1829 WeakPolarHBondContact O-CB 3.22Å; S773-V1829 WeakPolarHBondContact O-CG1 3.37Å; S773-E1830 VanDerWaalsContact CB-OE1 3.24Å; S773-E1830 WeakPolarHBondContact CB-OE1 3.46Å; S773-E1830 WeakPolarHBondContact CB-OE2 3.44Å; S773-E1830 PolarHBondContact OG-OE2 3.17Å | ||
| 774 | Q | 27 | Very low | 27.5 | Very low | 56 Ų | 56 | 119.4 Ų | 119.4 | 26% | 0.262 | 62% | 0.623 | S | S | . | * | trans | -121.7 | 166.1 | -157.4 | -71.1 | 159.6 | 52.6 | 0 | 0 | 118 | H1826 S1828 V1829 | Q774-H1826 PolarHBondContact OE1-CE1 3.09Å; Q774-H1826 PolarHBondContact OE1-ND1 3.1Å; Q774-S1828 WeakPolarHBondContact CG-O 3.46Å; Q774-S1828 PolarHBondContact NE2-O 2.81Å; Q774-V1829 WeakPolarHBondContact CG-O 3.29Å; Q774-V1829 PolarHBondContact NE2-O 2.94Å; Q774-V1829 VanDerWaalsContact NE2-O 3.09Å | ||
| 775 | R | 24.6 | Very low | 27.3 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 62% | 0.615 | 62% | 0.619 | S | S | * | * | trans | 63.6 | 170.9 | 151.1 | -79.2 | 164.3 | 178.7 | 177.9 | 8.2 | 116.1 | H1826 | R775-H1826 PolarHBondContact NH1-CE1 2.73Å; R775-H1826 VanDerWaalsContact NH1-CE1 3.29Å; R775-H1826 PolarHBondContact NH1-NE2 2.96Å; R775-H1826 PolarHBondContact NH2-CE1 3.24Å; R775-H1826 PolarHBondContact NH2-NE2 2.88Å | ||
| 776 | H | 25.2 | Very low | 27.1 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 71% | 0.708 | 63% | 0.63 | S | S | * | * | cis | -150 | 158.5 | -4 | -119.7 | -60.5 | 0 | 0 | 0 | 111 | ||||
| 777 | Y | 23.5 | Very low | 26.9 | Very low | 189 Ų | 189 | 129 Ų | 129 | 74% | 0.741 | 63% | 0.633 | S | S | * | * | trans | 36.7 | 128 | 145.8 | -115.2 | -130.8 | 0 | 0 | 0 | 126.2 | ||||
| 778 | R | 26.4 | Very low | 26.4 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 82% | 0.815 | 65% | 0.645 | S | S | * | * | trans | 69.8 | 163.8 | 140.2 | -87.1 | -163.6 | 162.9 | 168.2 | -4.3 | 122.3 | ||||
| 779 | P | 36.1 | Very low | 26.3 | Very low | 107 Ų | 107 | 127.7 Ų | 127.7 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | trans | -124.7 | 160.2 | -162.4 | 42.4 | -29.7 | 0 | 0 | 0 | 116.6 | ||||
| 780 | Q | 25 | Very low | 26.2 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 84% | 0.836 | 64% | 0.641 | S | S | * | * | -177.1 | 150.3 | 128.2 | -106 | -167.2 | 40.1 | 0 | 0 | 114.7 | |||||
| 781 | S | 24.4 | Very low | 26.2 | Very low | 89 Ų | 89 | 127.3 Ų | 127.3 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | trans | 53.2 | 128.3 | 135 | -51.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 782 | Q | 24.6 | Very low | 26.2 | Very low | 181 Ų | 181 | 131.8 Ų | 131.8 | 85% | 0.846 | 66% | 0.657 | S | S | * | * | trans | 109.7 | 145.1 | 139.1 | -59 | -113.3 | 19.3 | 0 | 0 | 121.8 | ||||
| 783 | M | 27.2 | Very low | 26.2 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 62% | 0.621 | 68% | 0.675 | S | S | * | * | trans | -78.8 | 165.1 | 177.4 | -69 | 149.8 | 39.1 | 0 | 0 | 112.1 | ||||
| 784 | K | 26.5 | Very low | 26.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | -120.7 | -121.2 | 96.9 | -64.9 | 178 | -165.4 | 135.4 | 0 | 117.6 | E1406 | K784-E1406 WeakPolarHBondContact CB-OE1 3.16Å; K784-E1406 WeakPolarHBondContact CD-OE2 3.31Å; K784-E1406 VanDerWaalsContact CE-OE2 3.29Å; K784-E1406 WeakPolarHBondContact CE-OE2 3.46Å; K784-E1406 VanDerWaalsContact CG-OE1 3.31Å; K784-E1406 WeakPolarHBondContact CG-OE1 3.46Å; K784-E1406 PolarHBondContact N-OE1 3.42Å; K784-E1406 VanDerWaalsContact N-OE1 3.07Å; K784-E1406 IonicContact NZ-OE2 3.54Å; K784-E1406 PolarHBondContact NZ-OE2 3.28Å | |||
| 785 | R | 25.2 | Very low | 26.5 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | trans | -157.5 | 171.8 | -152.7 | -176.3 | 180 | 162.5 | -166.2 | -7.3 | 112.3 | ||||
| 786 | F | 26.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 63% | 0.632 | 71% | 0.712 | S | S | * | * | trans | 89.2 | 124 | 166.6 | -55.2 | -81 | 0 | 0 | 0 | 115 | ||||
| 787 | Q | 27.5 | Very low | 26.6 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | cis | 79.2 | 142 | 45.1 | -62.5 | 178.8 | -61.5 | 0 | 0 | 112.2 | ||||
| 788 | A | 25.8 | Very low | 26.8 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 68% | 0.678 | 72% | 0.718 | S | S | * | * | cis | -149.6 | 159.3 | 15.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 789 | S | 25.5 | Very low | 26.7 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | 62 | 159.1 | 133.9 | 64.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 790 | T | 25.7 | Very low | 26.7 | Very low | 128 Ų | 128 | 135 Ų | 135 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | trans | 66.3 | 137.9 | 156 | 42.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 791 | S | 24.7 | Very low | 26.8 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | cis | -176.1 | 165.7 | -12.6 | 42.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 792 | I | 27.1 | Very low | 26.9 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | trans | 71.7 | 120.1 | 160.6 | -64.7 | 151.5 | 0 | 0 | 0 | 114.8 | ||||
| 793 | V | 25.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | cis | 82.9 | 131.3 | 36.6 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 794 | P | 34.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 133.6 Ų | 133.6 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | cis | -138.3 | -151.5 | -30.8 | 38.8 | -16.6 | 0 | 0 | 0 | 112.8 | ||||
| 795 | E | 24.2 | Very low | 26.8 | Very low | 177 Ų | 177 | 131.1 Ų | 131.1 | 83% | 0.827 | 72% | 0.718 | S | S | * | * | trans | 83.2 | 135.6 | 141 | -88 | 173.4 | 167.2 | 0 | 0 | 126.5 | ||||
| 796 | A | 26.1 | Very low | 26.8 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 63% | 0.628 | 72% | 0.716 | S | S | * | * | trans | 80.5 | 100 | 132.6 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 797 | N | 26.5 | Very low | 26.7 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | 77.7 | 165.3 | 114.9 | -65.6 | -14.5 | 0 | 0 | 0 | 124.5 | |||||
| 798 | V | 26.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 83.4 | 79.4 | 162.1 | -158 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 799 | Q | 25.5 | Very low | 26.6 | Very low | 176 Ų | 176 | 130 Ų | 130 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | 28.7 | 132.1 | 116.4 | -71.3 | 164.5 | -51.3 | 0 | 0 | 121.9 | |||||
| 800 | K | 36.8 | Very low | 26.6 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 68% | 0.683 | 73% | 0.727 | S | S | * | * | 50.8 | 143.4 | 129.3 | -105.6 | -170.3 | 176.4 | -149.4 | 0 | 120.9 | D802 | K800-D802 WeakPolarHBondContact CE-OD1 3.31Å; K800-D802 WeakPolarHBondContact CE-OD2 3.49Å; K800-D802 IonicContact NZ-OD1 2.63Å; K800-D802 PolarHBondContact NZ-OD1 2.76Å; K800-D802 IonicContact NZ-OD2 3.84Å; K800-D802 PolarHBondContact NZ-OD2 2.92Å | |||
| 801 | P | 26.6 | Very low | 26.6 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | -140.6 | 173.3 | 77 | 40.7 | -26.7 | 0 | 0 | 0 | 116.3 | |||||
| 802 | D | 26.9 | Very low | 26.9 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 50% | 0.497 | 72% | 0.721 | S | S | . | * | trans | -83.7 | -162.7 | 165.4 | -34.9 | -104.2 | 0 | 0 | 0 | 111 | K800 | K800-D802 WeakPolarHBondContact CE-OD1 3.31Å; K800-D802 WeakPolarHBondContact CE-OD2 3.49Å; K800-D802 IonicContact NZ-OD1 2.63Å; K800-D802 PolarHBondContact NZ-OD1 2.76Å; K800-D802 IonicContact NZ-OD2 3.84Å; K800-D802 PolarHBondContact NZ-OD2 2.92Å | ||
| 803 | F | 23.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 77% | 0.772 | 72% | 0.715 | S | S | * | * | trans | 71 | 148.5 | 171 | -66.7 | -90.6 | 0 | 0 | 0 | 117.2 | ||||
| 804 | E | 24.1 | Very low | 26.9 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | cis | -165.9 | 156.6 | -32.9 | -137.9 | -178.3 | -161.8 | 0 | 0 | 109.3 | ||||
| 805 | A | 26.6 | Very low | 26.6 | Very low | 97 Ų | 97 | 140.5 Ų | 140.5 | 80% | 0.802 | 71% | 0.711 | S | S | * | * | trans | 53.6 | -157 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 806 | V | 25.5 | Very low | 26.8 | Very low | 106 Ų | 106 | 137.9 Ų | 137.9 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | cis | -150 | 124.3 | 22.8 | 170 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 807 | T | 25.4 | Very low | 26.8 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | 66.6 | 164.6 | 157.2 | 68 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 808 | T | 25.9 | Very low | 26.9 | Very low | 90 Ų | 90 | 139.2 Ų | 139.2 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | cis | -157.6 | 155.9 | -5.4 | 1.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 809 | R | 24.8 | Very low | 26.9 | Very low | 217 Ų | 217 | 143.6 Ų | 143.6 | 82% | 0.819 | 70% | 0.699 | S | S | * | * | trans | 62.7 | 138.2 | 155.5 | -55.5 | 148.9 | -164.4 | 179.1 | 5 | 115 | ||||
| 810 | Y | 25 | Very low | 27 | Very low | 206 Ų | 206 | 140.1 Ų | 140.1 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | cis | -136.2 | 157.4 | 19.4 | -95.7 | -109.6 | 0 | 0 | 0 | 109 | ||||
| 811 | I | 26.6 | Very low | 26.4 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | cis | -159.5 | 162.5 | -19.8 | -147.4 | -171.7 | 0 | 0 | 0 | 109.3 | ||||
| 812 | Q | 29.6 | Very low | 26.4 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 68% | 0.675 | S | S | * | * | trans | 60.3 | 110.9 | 160.6 | -70.6 | 178.5 | 10.1 | 0 | 0 | 120.6 | ||||
| 813 | N | 26.6 | Very low | 26.6 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 63% | 0.626 | 67% | 0.667 | S | S | * | * | 85.1 | 136.4 | 118.7 | -64.3 | -9 | 0 | 0 | 0 | 121 | |||||
| 814 | R | 26.6 | Very low | 26.7 | Very low | 188 Ų | 188 | 130.3 Ų | 130.3 | 71% | 0.709 | 66% | 0.656 | S | S | * | * | cis | -173.5 | 143.7 | -22.1 | -126.5 | 177.3 | 156.9 | 156.1 | -3.2 | 108.9 | ||||
| 815 | H | 29.6 | Very low | 26.7 | Very low | 136 Ų | 136 | 125 Ų | 125 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | trans | 62.5 | 150.8 | 152.7 | -65.1 | -43.3 | 0 | 0 | 0 | 117.6 | ||||
| 816 | N | 28.2 | Very low | 26.6 | Very low | 122 Ų | 122 | 122.8 Ų | 122.8 | 65% | 0.652 | 62% | 0.615 | S | S | * | * | cis | -158.3 | 168.5 | -5.5 | -105 | -12.9 | 0 | 0 | 0 | 108.6 | ||||
| 817 | S | 26.4 | Very low | 26.6 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | cis | 169.9 | 160.1 | -31.9 | 62 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 818 | K | 27.7 | Very low | 26.6 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 84% | 0.835 | 60% | 0.595 | S | S | * | * | trans | 69.9 | 161.9 | 162.1 | -51.7 | 152.7 | -169.9 | 177.3 | 0 | 114.3 | ||||
| 819 | R | 27.4 | Very low | 26.7 | Very low | 214 Ų | 214 | 124.9 Ų | 124.9 | 81% | 0.808 | 60% | 0.604 | S | S | * | * | cis | -151.6 | 166.6 | -10.7 | -145 | -165.7 | 159.9 | -153.4 | -7.4 | 105.1 | ||||
| 820 | T | 25.8 | Very low | 26.8 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 63% | 0.632 | 60% | 0.6 | S | S | * | * | cis | -120.3 | -174.7 | 0.5 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 821 | V | 25.7 | Very low | 26.8 | Very low | 89 Ų | 89 | 118 Ų | 118 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | cis | 91.2 | 129.4 | 3.4 | -176.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 822 | D | 26.6 | Very low | 26.8 | Very low | 116 Ų | 116 | 117.1 Ų | 117.1 | 62% | 0.62 | 60% | 0.602 | S | S | * | * | trans | 61.3 | 148.3 | 178.1 | -51.8 | -35.5 | 0 | 0 | 0 | 117.9 | F2364 | D822-F2364 WeakPolarHBondContact O-CE2 3.29Š| ||
| 823 | G | 30.8 | Very low | 26.5 | Very low | 33 Ų | 33 | 115.3 Ų | 115.3 | 34% | 0.34 | 60% | 0.601 | S | S | . | * | cis | -166.3 | 138.7 | -7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2364 | G823-F2364 WeakPolarHBondContact O-CB 3.46Š| ||
| 824 | L | 24.9 | Very low | 26.5 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | 86.5 | 109.9 | 84.1 | -95.4 | 141.4 | 0 | 0 | 0 | 116.7 | K2367 | L824-K2367 HydrophobicContact CD2-CD 3.98Š| |||
| 825 | S | 24.2 | Very low | 26.3 | Very low | 41 Ų | 41 | 115.4 Ų | 115.4 | 29% | 0.287 | 61% | 0.61 | S | S | . | * | 85.1 | 104 | 126.9 | -156.4 | 0 | 0 | 0 | 0 | 122.4 | R2369 | S825-R2369 PolarHBondContact OG-NH2 3.12Š| |||
| 826 | S | 25.3 | Very low | 26.1 | Very low | 50 Ų | 50 | 113.8 Ų | 113.8 | 35% | 0.35 | 61% | 0.614 | S | S | . | * | 91.8 | 155.5 | 112.1 | 68.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 827 | H | 26.2 | Very low | 25.9 | Very low | 124 Ų | 124 | 111.7 Ų | 111.7 | 57% | 0.574 | 61% | 0.609 | S | S | * | * | trans | 82.5 | 112.1 | 163.9 | -65.6 | -59.6 | 0 | 0 | 0 | 116.8 | ||||
| 828 | I | 25.3 | Very low | 26 | Very low | 81 Ų | 81 | 111 Ų | 111 | 42% | 0.415 | 60% | 0.604 | S | S | . | * | cis | 94.3 | 107.6 | 44.1 | -70.6 | 177.3 | 0 | 0 | 0 | 112.5 | R2369 | I828-R2369 HydrophobicContact CD1-CB 3.66Å; I828-R2369 WeakPolarHBondContact CD1-O 3.35Å | ||
| 829 | H | 27.5 | Very low | 26.1 | Very low | 159 Ų | 159 | 105 Ų | 105 | 74% | 0.736 | 58% | 0.581 | S | S | * | * | -172.1 | 114.6 | 114.5 | -105.8 | -87.8 | 0 | 0 | 0 | 107.7 | |||||
| 830 | K | 25.7 | Very low | 26.3 | Very low | 168 Ų | 168 | 97.2 Ų | 97.2 | 73% | 0.73 | 56% | 0.555 | S | S | * | * | 57.3 | 87.7 | 88.1 | -64.2 | -168.9 | -172.8 | 178.9 | 0 | 115.5 | |||||
| 831 | S | 26.4 | Very low | 26.6 | Very low | 111 Ų | 111 | 93 Ų | 93 | 78% | 0.776 | 53% | 0.53 | S | S | * | . | -163 | 131.2 | 119.3 | 37.3 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 832 | S | 25.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 92.5 Ų | 92.5 | 71% | 0.706 | 52% | 0.524 | S | S | * | . | cis | 77 | 128.7 | 48.8 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 833 | T | 24.8 | Very low | 27.4 | Very low | 106 Ų | 106 | 91 Ų | 91 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | cis | -157.2 | 157.9 | 7.1 | -4.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 834 | Q | 24.8 | Very low | 27.6 | Very low | 156 Ų | 156 | 94 Ų | 94 | 73% | 0.729 | 52% | 0.518 | S | S | * | . | trans | 60.2 | 116.9 | 149.6 | -73.3 | 153 | 9 | 0 | 0 | 118.4 | ||||
| 835 | L | 23.9 | Very low | 28 | Very low | 151 Ų | 151 | 93.5 Ų | 93.5 | 79% | 0.791 | 51% | 0.512 | S | S | * | . | 82.3 | 126.9 | 56.6 | -83.1 | 147.7 | 0 | 0 | 0 | 113.3 | |||||
| 836 | S | 24.2 | Very low | 28.4 | Very low | 101 Ų | 101 | 96.9 Ų | 96.9 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | trans | 69.4 | 160.8 | 153.6 | 83 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 837 | S | 25.5 | Very low | 28.9 | Very low | 78 Ų | 78 | 102.1 Ų | 102.1 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | cis | -133.8 | 172 | -2.7 | 68.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 838 | S | 28.6 | Very low | 29.3 | Very low | 52 Ų | 52 | 104.7 Ų | 104.7 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -32.2 | 129.4 | 170.8 | 50.1 | 0 | 0 | 0 | 0 | 117.3 | ||
| 839 | N | 29.6 | Very low | 29.6 | Very low | 67 Ų | 67 | 106.2 Ų | 106.2 | 36% | 0.358 | 54% | 0.544 | S | S | . | . | trans | -123.6 | 67.5 | 140.1 | -78.8 | -50.5 | 0 | 0 | 0 | 109.5 | T1324 M1325 | N839-T1324 HydrophobicContact CB-CG2 3.8Å; N839-T1324 PolarHBondContact ND2-OG1 3.35Å; N839-M1325 CarbonylContact C-O 3.11Å; N839-M1325 PolarHBondContact N-O 3.02Å | ||
| 840 | N | 31.8 | Very low | 29.9 | Very low | 50 Ų | 50 | 101.9 Ų | 101.9 | 27% | 0.267 | 53% | 0.531 | S | S | . | . | trans | 29.4 | 97.3 | 130.2 | -95.5 | -39.9 | 0 | 0 | 0 | 116.6 | L842 Q843 E844 | N840-L842 PolarHBondContact O-N 3.08Å; N840-Q843 HydrophobicContact CB-CB 3.7Å; N840-Q843 HydrophobicContact CB-CG 3.77Å; N840-Q843 CarbonylContact O-C 3.42Å; N840-Q843 VanDerWaalsContact O-CA 3.28Å; N840-Q843 WeakPolarHBondContact O-CA 3.04Å; N840-Q843 VanDerWaalsContact O-CB 3.3Å; N840-Q843 WeakPolarHBondContact O-CB 3.48Å; N840-Q843 PolarHBondContact O-N 3.06Å; N840-E844 PolarHBondContact O-N 3.03Å | ||
| 841 | P | 30.9 | Very low | 30 | Very low | 16 Ų | 16 | 98.7 Ų | 98.7 | 10% | 0.104 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -74.6 | 2.9 | 150.4 | 27.1 | -20.7 | 0 | 0 | 0 | 111.6 | Q843 E844 F845 L1327 T1329 | P841-Q843 VanDerWaalsContact C-N 3.29Å; P841-E844 HydrophobicContact CB-CB 4.38Å; P841-F845 WeakPolarHBondContact O-CA 3.47Å; P841-F845 WeakPolarHBondContact O-CB 3.15Å; P841-F845 PolarHBondContact O-N 3.32Å; P841-L1327 VanDerWaalsContact CD-CB 3.46Å; P841-L1327 WeakPolarHBondContact CD-O 3.48Å; P841-L1327 HydrophobicContact CG-CB 4.37Å; P841-L1327 WeakPolarHBondContact CG-O 3.49Å; P841-T1329 HydrophobicContact CB-CG2 3.87Å; P841-T1329 HydrophobicContact CG-CG2 3.74Å |
| 842 | L | 32.8 | Very low | 30.1 | Very low | 77 Ų | 77 | 97.3 Ų | 97.3 | 40% | 0.403 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -74.1 | -20.7 | 152.9 | -142.3 | 76.5 | 0 | 0 | 0 | 111.8 | N840 Q846 | N840-L842 PolarHBondContact O-N 3.08Å; L842-Q846 WeakPolarHBondContact O-CA 3.27Å; L842-Q846 WeakPolarHBondContact O-CB 3.46Å; L842-Q846 WeakPolarHBondContact O-CG 3.29Å; L842-Q846 PolarHBondContact O-N 3.21Å; L842-Q846 PolarHBondContact O-OE1 3.38Å |
| 843 | Q | 36.9 | Very low | 30.1 | Very low | 84 Ų | 84 | 99.7 Ų | 99.7 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -89.7 | -21.8 | 166 | -78 | 174.5 | -45.7 | 0 | 0 | 112.2 | N840 P841 Q846 R847 | N840-Q843 HydrophobicContact CB-CB 3.7Å; N840-Q843 HydrophobicContact CB-CG 3.77Å; N840-Q843 CarbonylContact O-C 3.42Å; N840-Q843 VanDerWaalsContact O-CA 3.28Å; N840-Q843 WeakPolarHBondContact O-CA 3.04Å; N840-Q843 VanDerWaalsContact O-CB 3.3Å; N840-Q843 WeakPolarHBondContact O-CB 3.48Å; N840-Q843 PolarHBondContact O-N 3.06Å; P841-Q843 VanDerWaalsContact C-N 3.29Å; Q843-Q846 CarbonylContact O-C 3.02Å; Q843-Q846 VanDerWaalsContact O-C 3.28Å; Q843-R847 WeakPolarHBondContact O-CA 3.27Å; Q843-R847 WeakPolarHBondContact O-CB 3.42Å; Q843-R847 VanDerWaalsContact O-CD 3.25Å; Q843-R847 WeakPolarHBondContact O-CD 3.43Å; Q843-R847 WeakPolarHBondContact O-CG 3.3Å; Q843-R847 PolarHBondContact O-N 2.91Å |
| 844 | E | 35.5 | Very low | 30.4 | Very low | 97 Ų | 97 | 101.9 Ų | 101.9 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.7 | -40.2 | 163.8 | -64.5 | -160.6 | 114.9 | 0 | 0 | 111.6 | N840 P841 R847 W848 H1326 | N840-E844 PolarHBondContact O-N 3.03Å; P841-E844 HydrophobicContact CB-CB 4.38Å; E844-R847 CarbonylContact O-C 2.83Å; E844-R847 WeakPolarHBondContact O-CA 3.05Å; E844-R847 PolarHBondContact O-N 2.95Å; E844-W848 WeakPolarHBondContact O-CB 3.13Å; E844-W848 PolarHBondContact O-N 3.29Å; E844-H1326 IonicContact OE2-CE1 2.69Å; E844-H1326 PolarHBondContact OE2-CE1 3.14Å; E844-H1326 VanDerWaalsContact OE2-CE1 3.24Å; E844-H1326 IonicContact OE2-ND1 3.45Å; E844-H1326 PolarHBondContact OE2-ND1 3.3Å |
| 845 | F | 31.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 106.5 Ų | 106.5 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 170.3 | -160.4 | -106.4 | 0 | 0 | 0 | 111.3 | P841 R847 W848 F849 | P841-F845 WeakPolarHBondContact O-CA 3.47Å; P841-F845 WeakPolarHBondContact O-CB 3.15Å; P841-F845 PolarHBondContact O-N 3.32Å; F845-R847 VanDerWaalsContact C-N 3.28Å; F845-R847 PolarHBondContact O-N 3.17Å; F845-W848 AromaticContact CD2-CE3 3.92Å; F845-W848 HydrophobicContact CD2-CE3 3.92Å; F845-W848 HydrophobicContact CD2-CZ3 4.41Å; F845-W848 AromaticContact CE2-CE3 3.61Å; F845-W848 HydrophobicContact CE2-CE3 3.61Å; F845-W848 AromaticContact CE2-CZ3 3.66Å; F845-W848 HydrophobicContact CE2-CZ3 3.66Å; F845-W848 HydrophobicContact CZ-CE3 4.31Å; F845-W848 HydrophobicContact CZ-CZ3 4.2Å; F845-W848 PolarHBondContact O-N 2.95Å; F845-F849 HydrophobicContact CD1-CD2 4.43Å; F845-F849 AromaticContact CE1-CD2 3.81Å; F845-F849 HydrophobicContact CE1-CD2 3.81Å; F845-F849 HydrophobicContact CE1-CE2 4.13Å; F845-F849 HydrophobicContact CE2-CD2 4.47Å; F845-F849 AromaticContact CZ-CD2 3.83Å; F845-F849 HydrophobicContact CZ-CD2 3.83Å; F845-F849 AromaticContact CZ-CE2 3.93Å; F845-F849 HydrophobicContact CZ-CE2 3.93Å; F845-F849 VanDerWaalsContact O-CB 3.29Å; F845-F849 WeakPolarHBondContact O-CB 3.43Å; F845-F849 PolarHBondContact O-N 3.09Å |
| 846 | Q | 33.5 | Very low | 30.8 | Very low | 111 Ų | 111 | 104 Ų | 104 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -86.4 | 18.4 | 165.2 | -59 | 169.8 | -105.3 | 0 | 0 | 113.6 | L842 Q843 S850 | L842-Q846 WeakPolarHBondContact O-CA 3.27Å; L842-Q846 WeakPolarHBondContact O-CB 3.46Å; L842-Q846 WeakPolarHBondContact O-CG 3.29Å; L842-Q846 PolarHBondContact O-N 3.21Å; L842-Q846 PolarHBondContact O-OE1 3.38Å; Q843-Q846 CarbonylContact O-C 3.02Å; Q843-Q846 VanDerWaalsContact O-C 3.28Å; Q846-S850 WeakPolarHBondContact O-CB 3.4Å; Q846-S850 PolarHBondContact O-OG 2.95Å |
| 847 | R | 36.7 | Very low | 30.9 | Very low | 160 Ų | 160 | 105.5 Ų | 105.5 | 60% | 0.604 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -105.8 | -28.9 | 153.6 | -82.7 | 161.4 | -177.2 | -177.8 | 0.9 | 109.2 | Q843 E844 F845 S851 | Q843-R847 WeakPolarHBondContact O-CA 3.27Å; Q843-R847 WeakPolarHBondContact O-CB 3.42Å; Q843-R847 VanDerWaalsContact O-CD 3.25Å; Q843-R847 WeakPolarHBondContact O-CD 3.43Å; Q843-R847 WeakPolarHBondContact O-CG 3.3Å; Q843-R847 PolarHBondContact O-N 2.91Å; E844-R847 CarbonylContact O-C 2.83Å; E844-R847 WeakPolarHBondContact O-CA 3.05Å; E844-R847 PolarHBondContact O-N 2.95Å; F845-R847 VanDerWaalsContact C-N 3.28Å; F845-R847 PolarHBondContact O-N 3.17Å; R847-S851 WeakPolarHBondContact O-CA 3.01Å; R847-S851 WeakPolarHBondContact O-CB 3.17Å; R847-S851 PolarHBondContact O-N 2.83Å; R847-S851 PolarHBondContact O-OG 3.5Å |
| 848 | W | 33.3 | Very low | 31.1 | Very low | 178 Ų | 178 | 111.3 Ų | 111.3 | 67% | 0.674 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -76.1 | -55.4 | 174.3 | -168.6 | 68.8 | 0 | 0 | 0 | 111.5 | E844 F845 S850 S851 A852 | E844-W848 WeakPolarHBondContact O-CB 3.13Å; E844-W848 PolarHBondContact O-N 3.29Å; F845-W848 AromaticContact CD2-CE3 3.92Å; F845-W848 HydrophobicContact CD2-CE3 3.92Å; F845-W848 HydrophobicContact CD2-CZ3 4.41Å; F845-W848 AromaticContact CE2-CE3 3.61Å; F845-W848 HydrophobicContact CE2-CE3 3.61Å; F845-W848 AromaticContact CE2-CZ3 3.66Å; F845-W848 HydrophobicContact CE2-CZ3 3.66Å; F845-W848 HydrophobicContact CZ-CE3 4.31Å; F845-W848 HydrophobicContact CZ-CZ3 4.2Å; F845-W848 PolarHBondContact O-N 2.95Å; W848-S850 PolarHBondContact O-N 3.14Å; W848-S851 PolarHBondContact O-N 3.49Å; W848-A852 VanDerWaalsContact O-CB 3.27Å; W848-A852 WeakPolarHBondContact O-CB 3.43Å; W848-A852 PolarHBondContact O-N 2.84Å |
| 849 | F | 32.1 | Very low | 30.9 | Very low | 114 Ų | 114 | 111.8 Ų | 111.8 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.6 | -11.7 | 171 | -114 | -98.3 | 0 | 0 | 0 | 113.8 | F845 | F845-F849 HydrophobicContact CD1-CD2 4.43Å; F845-F849 AromaticContact CE1-CD2 3.81Å; F845-F849 HydrophobicContact CE1-CD2 3.81Å; F845-F849 HydrophobicContact CE1-CE2 4.13Å; F845-F849 HydrophobicContact CE2-CD2 4.47Å; F845-F849 AromaticContact CZ-CD2 3.83Å; F845-F849 HydrophobicContact CZ-CD2 3.83Å; F845-F849 AromaticContact CZ-CE2 3.93Å; F845-F849 HydrophobicContact CZ-CE2 3.93Å; F845-F849 VanDerWaalsContact O-CB 3.29Å; F845-F849 WeakPolarHBondContact O-CB 3.43Å; F845-F849 PolarHBondContact O-N 3.09Å |
| 850 | S | 32.7 | Very low | 30.7 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 47% | 0.469 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -110.7 | -10.8 | 175.4 | -45 | 0 | 0 | 0 | 0 | 114.9 | Q846 W848 | Q846-S850 WeakPolarHBondContact O-CB 3.4Å; Q846-S850 PolarHBondContact O-OG 2.95Å; W848-S850 PolarHBondContact O-N 3.14Å |
| 851 | S | 28.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 122.7 Ų | 122.7 | 71% | 0.713 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -94 | -10.4 | 162.1 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | R847 W848 K853 | R847-S851 WeakPolarHBondContact O-CA 3.01Å; R847-S851 WeakPolarHBondContact O-CB 3.17Å; R847-S851 PolarHBondContact O-N 2.83Å; R847-S851 PolarHBondContact O-OG 3.5Å; W848-S851 PolarHBondContact O-N 3.49Å; S851-K853 VanDerWaalsContact C-N 3.26Å |
| 852 | A | 28.9 | Very low | 30 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -82.7 | 4.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | W848 | W848-A852 VanDerWaalsContact O-CB 3.27Å; W848-A852 WeakPolarHBondContact O-CB 3.43Å; W848-A852 PolarHBondContact O-N 2.84Å |
| 853 | K | 26.1 | Very low | 29.5 | Very low | 150 Ų | 150 | 130 Ų | 130 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -124 | 140.9 | 167.1 | -73.5 | -175.3 | 174.7 | 179.7 | 0 | 109.4 | S851 | S851-K853 VanDerWaalsContact C-N 3.26Š|
| 854 | H | 31.2 | Very low | 28.9 | Very low | 153 Ų | 153 | 130.8 Ų | 130.8 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | trans | 71.4 | 57.8 | -179.8 | -56.2 | -84.6 | 0 | 0 | 0 | 117.5 | ||||
| 855 | R | 27.6 | Very low | 28.4 | Very low | 252 Ų | 252 | 132.3 Ų | 132.3 | 95% | 0.951 | 69% | 0.689 | S | S | * | * | -99.4 | 103.6 | 116.5 | -92.6 | -168.9 | 174 | -169.2 | -1.1 | 108.4 | |||||
| 856 | I | 27.6 | Very low | 28.1 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 51% | 0.508 | 70% | 0.7 | S | S | . | * | trans | -136.2 | 125.1 | 172.9 | -59.8 | 175.9 | 0 | 0 | 0 | 107.7 | F858 | I856-F858 HydrophobicContact CG2-CB 4.32Å; I856-F858 HydrophobicContact CG2-CD2 3.81Å; I856-F858 HydrophobicContact CG2-CG 4.46Å | ||
| 857 | P | 26.7 | Very low | 27.7 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 86% | 0.864 | 72% | 0.718 | S | S | * | * | trans | -81.3 | 119.3 | 155 | 0.2 | 18.9 | 0 | 0 | 0 | 108.5 | ||||
| 858 | F | 29.1 | Very low | 27.2 | Very low | 200 Ų | 200 | 134.1 Ų | 134.1 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | trans | -122.2 | 124.5 | 169.6 | -129.2 | -61.6 | 0 | 0 | 0 | 106.9 | I856 | I856-F858 HydrophobicContact CG2-CB 4.32Å; I856-F858 HydrophobicContact CG2-CD2 3.81Å; I856-F858 HydrophobicContact CG2-CG 4.46Å | ||
| 859 | G | 24.9 | Very low | 26.8 | Very low | 61 Ų | 61 | 132.3 Ų | 132.3 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -161.4 | 77.1 | -167 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 860 | W | 25.3 | Very low | 26.6 | Very low | 251 Ų | 251 | 131.9 Ų | 131.9 | 95% | 0.951 | 75% | 0.745 | S | S | * | * | trans | 66.3 | 123.6 | 155 | -61.8 | 20.3 | 0 | 0 | 0 | 115 | ||||
| 861 | A | 24.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | 57.9 | 126.5 | 72.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 862 | S | 24.2 | Very low | 26.2 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | cis | -153.8 | 178.8 | 30 | 57.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 863 | N | 23.1 | Very low | 25.9 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | 26.6 | 137.3 | 133 | -59.9 | -5.2 | 0 | 0 | 0 | 119 | ||||
| 864 | S | 24.7 | Very low | 25.8 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | cis | -177.8 | 172.9 | 13.4 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 865 | T | 24.9 | Very low | 26.3 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | 23.3 | 122.1 | 128.2 | -45.5 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 866 | S | 24.8 | Very low | 26.6 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | cis | -178.3 | -178.6 | 20.6 | 51.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 867 | R | 25.3 | Very low | 27 | Very low | 238 Ų | 238 | 134.8 Ų | 134.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | 41.1 | 111.9 | 142.5 | -73.1 | 172.1 | 174.6 | 175.4 | -2 | 119.8 | ||||
| 868 | G | 25.6 | Very low | 27.4 | Very low | 73 Ų | 73 | 133.7 Ų | 133.7 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | 94 | -175.5 | 116.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 869 | T | 24.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | trans | 53.8 | 103.6 | 177.1 | 33.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 870 | S | 28.1 | Very low | 27.6 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -64.7 | 143.3 | 148.2 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 871 | M | 23.2 | Very low | 27.7 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -164.3 | 156.3 | 138.4 | -111.7 | 168.9 | -121.9 | 0 | 0 | 111.8 | ||||
| 872 | N | 29.1 | Very low | 27.9 | Very low | 149 Ų | 149 | 132.5 Ų | 132.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -78.8 | 169.2 | 167.9 | -63.3 | -55.5 | 0 | 0 | 0 | 110 | ||||
| 873 | I | 23.6 | Very low | 28.4 | Very low | 151 Ų | 151 | 130.7 Ų | 130.7 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | 176.4 | 116.8 | 115.5 | -89.7 | 157 | 0 | 0 | 0 | 111.3 | |||||
| 874 | S | 24.7 | Very low | 28.8 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | trans | 56.6 | 158.4 | 141.1 | -53 | 0 | 0 | 0 | 0 | 124 | ||||
| 875 | A | 41.1 | Very low | 28.9 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 75% | 0.754 | S | S | * | * | trans | -93.9 | -158.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 876 | P | 33.4 | Very low | 29.1 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | -135.9 | 166.6 | 97.6 | 39.1 | -29.6 | 0 | 0 | 0 | 117.3 | |||||
| 877 | L | 35.6 | Very low | 29.1 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | -59.3 | 178.6 | 163 | -70.2 | 162.7 | 0 | 0 | 0 | 111.7 | ||||
| 878 | P | 34.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 120.3 Ų | 120.3 | 71% | 0.714 | 71% | 0.709 | S | S | * | * | cis | -151.8 | 169 | 26.5 | 45 | -23.9 | 0 | 0 | 0 | 121.4 | ||||
| 879 | Y | 29.9 | Very low | 29.2 | Very low | 192 Ų | 192 | 122.4 Ų | 122.4 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | trans | 70.8 | 121.5 | 135.8 | -87 | -138.2 | 0 | 0 | 0 | 123.9 | ||||
| 880 | Q | 29.4 | Very low | 29.2 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | 92.5 | 128.4 | 124.6 | -80.9 | -175.2 | -25 | 0 | 0 | 124.3 | |||||
| 881 | T | 27.5 | Very low | 29 | Very low | 116 Ų | 116 | 122 Ų | 122 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | trans | 71.1 | 117.9 | 138.6 | 52 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 882 | S | 28.9 | Very low | 29.1 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 85% | 0.853 | 69% | 0.689 | S | S | * | * | trans | 55.1 | 128.6 | 136.9 | 60.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 883 | G | 33.5 | Very low | 28.7 | Very low | 63 Ų | 63 | 120.3 Ų | 120.3 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | trans | -173.7 | 86.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S1531 | G883-S1531 PolarHBondContact O-OG 2.84Š| ||
| 884 | N | 31.3 | Very low | 28.8 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 78% | 0.775 | 67% | 0.668 | S | S | * | * | trans | -65.5 | 138.5 | -178.2 | -89.1 | -0.7 | 0 | 0 | 0 | 112.7 | ||||
| 885 | C | 28 | Very low | 28.8 | Very low | 52 Ų | 52 | 121.1 Ų | 121.1 | 35% | 0.351 | 66% | 0.662 | S | S | . | * | 56.6 | 169.9 | 126.8 | -53.7 | 0 | 0 | 0 | 0 | 123 | S1531 | C885-S1531 PolarHBondContact N-OG 2.91Š| |||
| 886 | Y | 27.4 | Very low | 28 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 55% | 0.549 | 65% | 0.654 | S | S | . | * | trans | 105.5 | 157.7 | 141.4 | -73.4 | -51.3 | 0 | 0 | 0 | 121.4 | I1532 E1535 | Y886-I1532 VanDerWaalsContact O-CG2 3.29Å; Y886-I1532 WeakPolarHBondContact O-CG2 3.4Å; Y886-E1535 WeakPolarHBondContact CB-OE1 3.26Å | ||
| 887 | E | 25.7 | Very low | 27.6 | Very low | 88 Ų | 88 | 122.4 Ų | 122.4 | 41% | 0.411 | 64% | 0.64 | S | S | . | * | trans | -49.4 | 143.8 | -160.2 | -77.4 | 121.6 | 156.1 | 0 | 0 | 114.1 | S1534 E1535 | E887-S1534 CarbonylContact O-C 3.56Å; E887-S1534 VanDerWaalsContact O-CA 3.26Å; E887-S1534 WeakPolarHBondContact O-CA 3.23Å; E887-E1535 HydrophobicContact CB-CG 4.49Å; E887-E1535 WeakPolarHBondContact O-CA 3.1Å; E887-E1535 PolarHBondContact O-N 3.49Å | ||
| 888 | S | 27.4 | Very low | 27.1 | Very low | 63 Ų | 63 | 119.7 Ų | 119.7 | 44% | 0.441 | 63% | 0.633 | S | S | . | * | cis | 72.1 | 169.6 | 45.9 | 102.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 889 | H | 25.6 | Very low | 26.6 | Very low | 116 Ų | 116 | 122 Ų | 122 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | trans | 64.9 | 112.5 | -174.5 | -69.6 | -67.3 | 0 | 0 | 0 | 114.5 | E1536 | H889-E1536 WeakPolarHBondContact CB-O 3.47Š| ||
| 890 | V | 25.9 | Very low | 26.4 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | 74.6 | 107.4 | 72.2 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 891 | T | 23.9 | Very low | 26.1 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 76% | 0.761 | 64% | 0.637 | S | S | * | * | -169 | 126.5 | 127.7 | 22.5 | 0 | 0 | 0 | 0 | 106 | |||||
| 892 | R | 23.8 | Very low | 25.9 | Very low | 214 Ų | 214 | 115.3 Ų | 115.3 | 81% | 0.808 | 64% | 0.641 | S | S | * | * | 87.3 | 138.9 | 50.4 | 174.8 | -173.7 | 169 | 172.5 | -0.8 | 110.7 | |||||
| 893 | S | 22.2 | Very low | 25.7 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 54% | 0.538 | 64% | 0.635 | S | S | . | * | trans | 67.4 | 154.7 | 173.1 | -74.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 894 | E | 24.5 | Very low | 25.5 | Very low | 128 Ų | 128 | 118.2 Ų | 118.2 | 60% | 0.598 | 64% | 0.641 | S | S | * | * | cis | -132.1 | 151.2 | -3.1 | -144.3 | 84.4 | -107 | 0 | 0 | 107.1 | ||||
| 895 | K | 25 | Very low | 25.8 | Very low | 155 Ų | 155 | 116.3 Ų | 116.3 | 67% | 0.674 | 64% | 0.636 | S | S | * | * | 18.6 | 136.2 | 105.3 | -33.8 | 178.3 | -163.1 | 95.4 | 0 | 113.8 | |||||
| 896 | E | 25.1 | Very low | 25.5 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 56% | 0.561 | 65% | 0.653 | S | S | * | * | -151.4 | 162.1 | 52.8 | -101.1 | -164.1 | 142.4 | 0 | 0 | 111.4 | Q363 | Q363-E896 PolarHBondContact N-OE1 2.81Å; Q363-E896 VanDerWaalsContact N-OE1 3.11Å | |||
| 897 | K | 24.1 | Very low | 25.4 | Very low | 125 Ų | 125 | 117.9 Ų | 117.9 | 54% | 0.543 | 66% | 0.663 | S | S | . | * | 31.5 | 129.1 | 98.5 | -56.4 | -170.7 | -177.1 | -167.1 | 0 | 112.4 | Q362 Q363 | Q362-K897 VanDerWaalsContact C-NZ 3.28Å; Q362-K897 PolarHBondContact O-NZ 2.84Å; Q363-K897 PolarHBondContact O-NZ 2.8Å | |||
| 898 | C | 24.3 | Very low | 25.3 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 66% | 0.662 | 68% | 0.678 | S | S | * | * | cis | -168.2 | -169.8 | 17.2 | -125.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 899 | L | 24.8 | Very low | 25.1 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 83% | 0.827 | 70% | 0.695 | S | S | * | * | trans | 17.8 | 119.4 | 138.8 | -52.6 | 160.8 | 0 | 0 | 0 | 116.3 | ||||
| 900 | G | 25.3 | Very low | 25 | Very low | 70 Ų | 70 | 120.1 Ų | 120.1 | 72% | 0.722 | 70% | 0.701 | S | S | * | * | cis | 139.5 | -152.2 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 901 | V | 24.8 | Very low | 24.9 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | trans | 57.8 | 98.6 | 142.1 | -178.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 902 | T | 23.3 | Very low | 25 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | trans | 63.3 | 154.1 | 148.8 | 61.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 903 | S | 24.4 | Very low | 25 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 71% | 0.713 | 70% | 0.698 | S | S | * | * | cis | -148.7 | 152.1 | -11.9 | 47.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 904 | N | 29 | Very low | 25.2 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 71% | 0.706 | S | S | * | * | 48.2 | 138.2 | 72.1 | -115.3 | 14.5 | 0 | 0 | 0 | 114.1 | |||||
| 905 | P | 37 | Very low | 25.1 | Very low | 105 Ų | 105 | 121.1 Ų | 121.1 | 68% | 0.682 | 71% | 0.706 | S | S | * | * | cis | -130.5 | -115.1 | -43.9 | 29.4 | -8.5 | 0 | 0 | 0 | 109.6 | ||||
| 906 | V | 23 | Very low | 25.1 | Very low | 116 Ų | 116 | 120.2 Ų | 120.2 | 70% | 0.703 | 71% | 0.709 | S | S | * | * | trans | 56.3 | 91.7 | 165.4 | 179.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 907 | S | 24.4 | Very low | 25.2 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | 64.1 | 92 | 66.2 | 88 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 908 | S | 23.1 | Very low | 25.3 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | -152.2 | 136.3 | 149.5 | 64.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 909 | T | 23 | Very low | 25.6 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 80% | 0.798 | 73% | 0.731 | S | S | * | * | 31.8 | 123.8 | 85.6 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 910 | A | 24.1 | Very low | 25.9 | Very low | 81 Ų | 81 | 116.6 Ų | 116.6 | 67% | 0.669 | 70% | 0.703 | S | S | * | * | cis | -157.5 | 155.5 | 33.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 911 | H | 24.6 | Very low | 26.2 | Very low | 166 Ų | 166 | 118.2 Ų | 118.2 | 77% | 0.769 | 69% | 0.691 | S | S | * | * | trans | 48.1 | 141.8 | 136.6 | -76.4 | -100.3 | 0 | 0 | 0 | 122.1 | ||||
| 912 | Q | 24.6 | Very low | 26.5 | Very low | 163 Ų | 163 | 115.7 Ų | 115.7 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | trans | 74.1 | 140.4 | 160.4 | -62.8 | 169 | 46.6 | 0 | 0 | 115.4 | ||||
| 913 | N | 24 | Very low | 26.7 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 65% | 0.652 | 67% | 0.671 | S | S | * | * | cis | -159.9 | 158.9 | -3.7 | -118.9 | -16.2 | 0 | 0 | 0 | 113.2 | ||||
| 914 | I | 26 | Very low | 26.9 | Very low | 139 Ų | 139 | 117.2 Ų | 117.2 | 71% | 0.713 | 67% | 0.672 | S | S | * | * | trans | 67.4 | 97.8 | 147.9 | -61.2 | 163.1 | 0 | 0 | 0 | 118.8 | ||||
| 915 | S | 23.8 | Very low | 26.8 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | trans | 22.8 | 133.9 | 139.1 | 63.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 916 | N | 25.1 | Very low | 26.1 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | -174 | 151.7 | 72.4 | -97.3 | -56.3 | 0 | 0 | 0 | 116.5 | |||||
| 917 | Q | 26.3 | Very low | 26.1 | Very low | 168 Ų | 168 | 124.9 Ų | 124.9 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | trans | 64.3 | 88.8 | 145.1 | -64 | -177.5 | 13.9 | 0 | 0 | 125.2 | ||||
| 918 | S | 27.1 | Very low | 26.1 | Very low | 96 Ų | 96 | 125.1 Ų | 125.1 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | 63.7 | 122.8 | 115.3 | 63.5 | 0 | 0 | 0 | 0 | 127.5 | |||||
| 919 | T | 30.4 | Very low | 26 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 68% | 0.682 | S | S | * | * | trans | 75.2 | 157.7 | 134.5 | 60.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 920 | S | 30.4 | Very low | 26.1 | Very low | 34 Ų | 34 | 122.8 Ų | 122.8 | 24% | 0.238 | 68% | 0.675 | C | S | . | * | cis | -164 | 165.9 | -1.5 | 40.4 | 0 | 0 | 0 | 0 | 116.8 | I1996 P1997 S1998 Y1999 | S920-I1996 CarbonylContact C-O 3.54Å; S920-I1996 VanDerWaalsContact C-O 3.24Å; S920-I1996 VanDerWaalsContact CA-CG2 3.44Å; S920-I1996 WeakPolarHBondContact CA-O 3.16Å; S920-I1996 VanDerWaalsContact CB-CG2 3.43Å; S920-P1997 CarbonylContact O-C 3.57Å; S920-S1998 VanDerWaalsContact C-N 3.32Å; S920-S1998 CarbonylContact O-C 3.28Å; S920-S1998 PolarHBondContact O-N 2.79Å; S920-Y1999 PolarHBondContact O-N 3.12Å; S920-Y1999 VanDerWaalsContact OG-CD2 3.27Å; S920-Y1999 WeakPolarHBondContact OG-CD2 3.31Å; S920-Y1999 WeakPolarHBondContact OG-CE2 3.46Å | ||
| 921 | K | 31.3 | Very low | 26 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 46% | 0.457 | 66% | 0.662 | S | S | . | * | trans | 126.6 | -27.8 | 149.6 | -91.6 | -167.3 | -171.4 | 159.6 | 0 | 132.5 | I1996 P1997 S1998 Y1999 | K921-I1996 PolarHBondContact N-O 2.61Å; K921-P1997 VanDerWaalsContact N-CA 3.28Å; K921-S1998 VanDerWaalsContact CB-C 3.45Å; K921-S1998 WeakPolarHBondContact CB-O 3.25Å; K921-S1998 WeakPolarHBondContact CB-OG 3.15Å; K921-S1998 PolarHBondContact O-OG 2.7Å; K921-Y1999 HydrophobicContact CB-CD2 3.88Å; K921-Y1999 HydrophobicContact CB-CE2 4.14Å; K921-Y1999 HydrophobicContact CD-CD2 3.82Å; K921-Y1999 HydrophobicContact CD-CE2 3.32Å; K921-Y1999 HydrophobicContact CG-CD2 3.98Å; K921-Y1999 HydrophobicContact CG-CE2 3.69Å; K921-Y1999 VanDerWaalsContact NZ-CZ 3.31Å; K921-Y1999 PolarHBondContact NZ-OH 3.14Å | ||
| 922 | T | 30.9 | Very low | 26 | Very low | 64 Ų | 64 | 117.8 Ų | 117.8 | 39% | 0.393 | 65% | 0.645 | S | S | . | * | trans | 74.9 | 138.3 | 173.7 | 11.1 | 0 | 0 | 0 | 0 | 124.5 | I1996 P1997 S1998 | T922-I1996 VanDerWaalsContact CG2-N 3.31Å; T922-I1996 PolarHBondContact OG1-N 3.49Å; T922-P1997 VanDerWaalsContact CA-O 3.29Å; T922-P1997 WeakPolarHBondContact CA-O 3.3Å; T922-P1997 PolarHBondContact N-O 3.04Å; T922-S1998 PolarHBondContact N-OG 3.2Å; T922-S1998 VanDerWaalsContact N-OG 3.09Å; T922-S1998 PolarHBondContact O-OG 3.46Å; T922-S1998 VanDerWaalsContact O-OG 3.1Å | ||
| 923 | G | 28.6 | Very low | 25.9 | Very low | 70 Ų | 70 | 115.4 Ų | 115.4 | 72% | 0.722 | 63% | 0.63 | S | S | * | * | 133.4 | 130.6 | 107 | 0 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 924 | R | 28.6 | Very low | 25.8 | Very low | 196 Ų | 196 | 113.4 Ų | 113.4 | 74% | 0.74 | 63% | 0.625 | S | S | * | * | trans | -165.3 | 147 | 151.9 | -143.9 | -168 | 172.6 | 106.8 | 15.3 | 116.8 | ||||
| 925 | L | 25.4 | Very low | 25.6 | Very low | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 63% | 0.625 | S | S | * | * | trans | 82.9 | 116.1 | 154.6 | -87.6 | 160.2 | 0 | 0 | 0 | 122.7 | ||||
| 926 | E | 22.6 | Very low | 25.5 | Very low | 165 Ų | 165 | 116.5 Ų | 116.5 | 77% | 0.771 | 63% | 0.63 | S | S | * | * | trans | 23.7 | 120.5 | 143 | -67.7 | 163.2 | -148.8 | 0 | 0 | 122.4 | ||||
| 927 | R | 24.5 | Very low | 25.3 | Very low | 245 Ų | 245 | 115.3 Ų | 115.3 | 93% | 0.925 | 63% | 0.628 | S | S | * | * | -170.2 | 173.6 | 108.2 | -103.6 | 172.7 | -173.1 | -167.4 | 1 | 114.4 | |||||
| 928 | S | 22.8 | Very low | 25.1 | Very low | 115 Ų | 115 | 112.2 Ų | 112.2 | 80% | 0.804 | 62% | 0.624 | S | S | * | * | trans | -78.6 | -175.6 | -166 | -39.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 929 | A | 22.1 | Very low | 24.9 | Very low | 87 Ų | 87 | 112.5 Ų | 112.5 | 72% | 0.719 | 63% | 0.626 | S | S | * | * | trans | 83.6 | 124.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 930 | S | 23.9 | Very low | 24.5 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | 57.5 | 115.8 | 96.3 | 77.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 931 | E | 23.7 | Very low | 24.2 | Very low | 83 Ų | 83 | 116.3 Ų | 116.3 | 39% | 0.388 | 65% | 0.647 | S | S | . | * | cis | -135.2 | -168.1 | 17 | -83 | 130.9 | 159.3 | 0 | 0 | 110 | Q1985 V1987 | E931-Q1985 PolarHBondContact OE1-NE2 3.45Å; E931-V1987 HydrophobicContact CB-CG2 3.87Å; E931-V1987 VanDerWaalsContact CD-CG2 3.48Å; E931-V1987 HydrophobicContact CG-CG2 3.64Å; E931-V1987 PolarHBondContact OE1-N 2.68Å; E931-V1987 WeakPolarHBondContact OE2-CA 3.09Å; E931-V1987 PolarHBondContact OE2-N 2.78Å | ||
| 932 | S | 23.4 | Very low | 23.8 | Very low | 59 Ų | 59 | 117.4 Ų | 117.4 | 41% | 0.413 | 66% | 0.658 | S | S | . | * | cis | -162.7 | 143.7 | 37.6 | -58.7 | 0 | 0 | 0 | 0 | 111 | D1989 | S932-D1989 WeakPolarHBondContact CB-OD1 3.32Å; S932-D1989 PolarHBondContact OG-OD1 3.43Å | ||
| 933 | Y | 22.7 | Very low | 23.5 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 45% | 0.447 | 68% | 0.679 | S | S | . | * | 79 | 107.1 | 65.9 | -135.1 | -109.3 | 0 | 0 | 0 | 115 | V1987 | Y933-V1987 HydrophobicContact CD1-CG1 3.73Å; Y933-V1987 HydrophobicContact CD2-CG2 3.91Å; Y933-V1987 HydrophobicContact CE1-CG1 4.37Å; Y933-V1987 HydrophobicContact CE2-CG2 4.39Å; Y933-V1987 HydrophobicContact CG-CG1 3.8Å; Y933-V1987 HydrophobicContact CG-CG2 3.98Å | |||
| 934 | S | 21.6 | Very low | 23.4 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | trans | 72.3 | 158.7 | 153.4 | 84.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 935 | R | 22.8 | Very low | 23.2 | Very low | 189 Ų | 189 | 125 Ų | 125 | 71% | 0.713 | 69% | 0.685 | S | S | * | * | cis | -115.5 | 127.7 | -6.4 | -92.3 | 94.1 | -163.1 | -86 | 0.1 | 109 | ||||
| 936 | S | 20.6 | Very low | 23.1 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | 77 | 177.9 | 89.3 | -46.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 937 | V | 22.3 | Very low | 23.2 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | trans | 71.7 | 73 | 178.3 | -164.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 938 | S | 21.9 | Very low | 23.3 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | 86.3 | 147.1 | 74.2 | -70.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 939 | S | 22.8 | Very low | 23.4 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | 65.6 | 137.8 | 147.8 | 65.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 940 | S | 21.7 | Very low | 23.4 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 68% | 0.68 | S | S | * | * | cis | -171.4 | -172.1 | -13.9 | -168.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 941 | L | 23.2 | Very low | 23.4 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | 71.6 | 96 | 157.2 | -61.3 | 170.9 | 0 | 0 | 0 | 118.1 | ||||
| 942 | N | 23.3 | Very low | 23.5 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 68% | 0.684 | 70% | 0.703 | S | S | * | * | 57.4 | 142.9 | 104.4 | -60.9 | -3.2 | 0 | 0 | 0 | 121.4 | |||||
| 943 | N | 24.5 | Very low | 23.5 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 72% | 0.721 | S | S | * | * | trans | 73.2 | 133.2 | 165.9 | -53.3 | -41.7 | 0 | 0 | 0 | 115 | ||||
| 944 | S | 26.6 | Very low | 23.5 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | -142.4 | 141.6 | 2.8 | 44.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 945 | R | 24.3 | Very low | 23.6 | Very low | 233 Ų | 233 | 135.4 Ų | 135.4 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | 48.5 | 140.5 | 82.2 | -91.6 | -175.1 | 176.3 | 172.7 | 0.5 | 114.3 | |||||
| 946 | T | 24.2 | Very low | 23.6 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 99.8 | 124.2 | 171.1 | -46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 947 | I | 25 | Very low | 23.8 | Very low | 124 Ų | 124 | 129.6 Ų | 129.6 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -145.9 | 137.3 | -16.7 | -98.6 | 162.1 | 0 | 0 | 0 | 105.8 | L949 | I947-L949 HydrophobicContact CG2-CB 4.17Å; I947-L949 HydrophobicContact CG2-CD1 4.15Å; I947-L949 HydrophobicContact CG2-CG 3.93Å | ||
| 948 | V | 25.4 | Very low | 23.9 | Very low | 142 Ų | 142 | 127.8 Ų | 127.8 | 86% | 0.861 | 71% | 0.708 | S | S | * | * | trans | -126.5 | 105 | 148.6 | 177.5 | 0 | 0 | 0 | 0 | 106.1 | V950 | V948-V950 PolarHBondContact O-N 2.91Š| ||
| 949 | L | 24.7 | Very low | 24 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 75% | 0.754 | 69% | 0.693 | S | S | * | * | trans | -83.7 | 92.7 | 179.7 | -94.8 | 165.4 | 0 | 0 | 0 | 109.4 | I947 | I947-L949 HydrophobicContact CG2-CB 4.17Å; I947-L949 HydrophobicContact CG2-CD1 4.15Å; I947-L949 HydrophobicContact CG2-CG 3.93Å | ||
| 950 | V | 23.9 | Very low | 24.2 | Very low | 112 Ų | 112 | 122.4 Ų | 122.4 | 68% | 0.679 | 67% | 0.666 | S | S | * | * | trans | -64.9 | 123.2 | 145.9 | -177 | 0 | 0 | 0 | 0 | 106.6 | V948 | V948-V950 PolarHBondContact O-N 2.91Š| ||
| 951 | N | 23.1 | Very low | 24.6 | Very low | 130 Ų | 130 | 123.5 Ų | 123.5 | 70% | 0.695 | 66% | 0.664 | S | S | * | * | trans | -177.6 | 130.9 | 130 | -95.2 | -19.8 | 0 | 0 | 0 | 115.1 | ||||
| 952 | L | 25.1 | Very low | 24.7 | Very low | 160 Ų | 160 | 119 Ų | 119 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | trans | 73.6 | 141.1 | 144.7 | -93.9 | 60.9 | 0 | 0 | 0 | 122 | ||||
| 953 | E | 23.1 | Very low | 24.8 | Very low | 170 Ų | 170 | 120 Ų | 120 | 79% | 0.794 | 64% | 0.644 | S | S | * | * | trans | -93.3 | -171.9 | 176 | -49.6 | 171 | 106.2 | 0 | 0 | 112 | ||||
| 954 | Q | 23.4 | Very low | 24.8 | Very low | 167 Ų | 167 | 122 Ų | 122 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | trans | 101.6 | 90.2 | 155.9 | -48.7 | -168.6 | 2.8 | 0 | 0 | 119.7 | ||||
| 955 | S | 23.5 | Very low | 24.8 | Very low | 97 Ų | 97 | 124.5 Ų | 124.5 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | trans | 63.3 | 105.6 | 132.7 | 59.8 | 0 | 0 | 0 | 0 | 124 | ||||
| 956 | S | 23.1 | Very low | 25 | Very low | 70 Ų | 70 | 122.4 Ų | 122.4 | 49% | 0.49 | 65% | 0.647 | S | S | . | * | trans | 67.3 | 159.9 | 147.8 | 61 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 957 | M | 25.6 | Very low | 25 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 48% | 0.483 | 65% | 0.649 | S | S | . | * | cis | -164.9 | 150.9 | 43 | -61.8 | 173.9 | 167.9 | 0 | 0 | 116 | V1800 Q1801 Y1802 | M957-V1800 VanDerWaalsContact SD-CA 3.53Å; M957-V1800 HydrophobicContact SD-CB 4.49Å; M957-V1800 HydrophobicContact SD-CG2 4.42Å; M957-Q1801 VanDerWaalsContact CB-N 3.33Å; M957-Q1801 WeakPolarHBondContact CB-O 3.4Å; M957-Q1801 WeakPolarHBondContact CG-O 3.25Å; M957-Q1801 PolarHBondContact SD-N 2.82Å; M957-Y1802 CarbonylContact C-O 3.37Å; M957-Y1802 WeakPolarHBondContact CA-O 3.38Å | ||
| 958 | D | 23.5 | Very low | 25 | Very low | 73 Ų | 73 | 124.2 Ų | 124.2 | 39% | 0.39 | 65% | 0.653 | S | S | . | * | trans | 59.3 | 150 | 155.1 | -120.8 | -28.7 | 0 | 0 | 0 | 127.9 | Q1801 Y1802 | D958-Q1801 HydrophobicContact CB-CB 4.49Å; D958-Q1801 VanDerWaalsContact OD2-CB 3.23Å; D958-Q1801 WeakPolarHBondContact OD2-CB 3.1Å; D958-Y1802 VanDerWaalsContact CG-N 3.27Å; D958-Y1802 PolarHBondContact N-O 3.38Å; D958-Y1802 WeakPolarHBondContact OD2-CB 3.44Å; D958-Y1802 PolarHBondContact OD2-N 3.24Å | ||
| 959 | D | 24.6 | Very low | 24.8 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 40% | 0.401 | 65% | 0.649 | S | S | . | * | trans | -41.9 | 166.6 | -177.7 | -96.2 | -7.8 | 0 | 0 | 0 | 122 | Y1909 Q1910 R1911 | D959-Y1909 WeakPolarHBondContact CB-OH 3.2Å; D959-Q1910 PolarHBondContact OD1-NE2 2.8Å; D959-Q1910 PolarHBondContact OD2-NE2 3.18Å; D959-Q1910 PolarHBondContact OD2-OE1 2.99Å; D959-R1911 IonicContact OD2-NH2 2.67Å; D959-R1911 PolarHBondContact OD2-NH2 3.04Å | ||
| 960 | A | 26.2 | Very low | 24.7 | Very low | 17 Ų | 17 | 125.2 Ų | 125.2 | 14% | 0.14 | 65% | 0.65 | C | S | . | * | cis | 170.8 | 123.8 | -22.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | E1908 Y1909 Q1910 | A960-E1908 VanDerWaalsContact C-CG 3.49Å; A960-E1908 VanDerWaalsContact C-OE1 3.32Å; A960-E1908 WeakPolarHBondContact CA-OE1 3.45Å; A960-E1908 PolarHBondContact N-OE1 2.79Å; A960-Y1909 WeakPolarHBondContact O-CA 3.32Å; A960-Y1909 WeakPolarHBondContact O-CD2 3.13Å; A960-Y1909 PolarHBondContact O-N 2.91Å; A960-Q1910 HydrophobicContact CB-CG 3.96Å; A960-Q1910 WeakPolarHBondContact O-CG 3.38Å | ||
| 961 | N | 29.5 | Very low | 24.6 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | 54 | 102.7 | 127.2 | 179.6 | 34.8 | 0 | 0 | 0 | 123.2 | Y1909 Q1910 | N961-Y1909 CarbonylContact O-C 2.97Å; N961-Y1909 WeakPolarHBondContact O-CA 3.29Å; N961-Y1909 PolarHBondContact O-N 3.32Å; N961-Q1910 PolarHBondContact O-N 2.92Å | |||
| 962 | S | 25.2 | Very low | 24.7 | Very low | 43 Ų | 43 | 126 Ų | 126 | 30% | 0.301 | 66% | 0.661 | S | S | . | * | trans | 175.7 | 179.6 | 151.3 | -127 | 0 | 0 | 0 | 0 | 107.6 | Q1907 E1908 Y1909 | S962-Q1907 CarbonylContact O-C 3.56Å; S962-E1908 WeakPolarHBondContact CB-O 3.47Å; S962-E1908 VanDerWaalsContact O-CA 3.28Å; S962-E1908 WeakPolarHBondContact O-CA 3.48Å; S962-E1908 PolarHBondContact O-N 3.06Å; S962-E1908 VanDerWaalsContact O-N 3.11Å; S962-Y1909 VanDerWaalsContact CB-C 3.44Å; S962-Y1909 VanDerWaalsContact CB-N 3.32Å | ||
| 963 | Q | 26.6 | Very low | 24.6 | Very low | 148 Ų | 148 | 126.1 Ų | 126.1 | 69% | 0.692 | 66% | 0.662 | S | S | * | * | cis | -120.8 | 122.7 | -26.7 | -57.1 | 175.2 | 14 | 0 | 0 | 105.9 | ||||
| 964 | K | 25.3 | Very low | 24.6 | Very low | 199 Ų | 199 | 123.8 Ų | 123.8 | 87% | 0.865 | 66% | 0.664 | S | S | * | * | 59.4 | 68.1 | 73.6 | -161 | -167.7 | 176.1 | -172.9 | 0 | 116 | |||||
| 965 | L | 26.1 | Very low | 24.6 | Very low | 154 Ų | 154 | 122.3 Ų | 122.3 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | trans | -93.9 | 140.3 | 159.4 | -92.1 | 169 | 0 | 0 | 0 | 112.4 | F967 | L965-F967 HydrophobicContact CD2-CD2 4.24Å; L965-F967 HydrophobicContact CD2-CE2 4.21Å | ||
| 966 | K | 28 | Very low | 24.6 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | -144.8 | 100.3 | 175.1 | -111.6 | -166.2 | 178.2 | -173 | 0 | 110.6 | ||||
| 967 | F | 25 | Very low | 24.7 | Very low | 191 Ų | 191 | 124.1 Ų | 124.1 | 84% | 0.838 | 69% | 0.685 | S | S | * | * | trans | -135.9 | 137.3 | 161.4 | -73 | -87.9 | 0 | 0 | 0 | 107.8 | L965 | L965-F967 HydrophobicContact CD2-CD2 4.24Å; L965-F967 HydrophobicContact CD2-CE2 4.21Å | ||
| 968 | S | 23.3 | Very low | 24.7 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | cis | 87 | 64.6 | 13.1 | -163.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 969 | T | 22.8 | Very low | 24.8 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -154.5 | 126.3 | 141.3 | 28.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 970 | K | 21.5 | Very low | 24.9 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 77% | 0.774 | 75% | 0.747 | S | S | * | * | 72.3 | 123.7 | 72.4 | -86.1 | -169.3 | 167 | -171.4 | 0 | 114.6 | |||||
| 971 | D | 22.7 | Very low | 24.7 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 53.5 | 99.7 | 136.4 | -44.2 | -29 | 0 | 0 | 0 | 119.5 | ||||
| 972 | S | 24.4 | Very low | 24.4 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | -166.4 | 154 | 124 | 33.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 973 | N | 23.4 | Very low | 24.3 | Very low | 161 Ų | 161 | 150.1 Ų | 150.1 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | trans | -89.8 | 138.9 | -172.6 | -46.7 | -77.7 | 0 | 0 | 0 | 111.7 | ||||
| 974 | S | 23.6 | Very low | 24.2 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -145.6 | 97.1 | 147.5 | 61.7 | 0 | 0 | 0 | 0 | 111.4 | S976 | S974-S976 PolarHBondContact O-N 3.03Š| ||
| 975 | T | 22.6 | Very low | 24.1 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -55.9 | 125.3 | 171.4 | -56 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 976 | S | 23 | Very low | 24 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 177.9 | 165.1 | 124.8 | 49.5 | 0 | 0 | 0 | 0 | 110.9 | S974 | S974-S976 PolarHBondContact O-N 3.03Š| |||
| 977 | A | 26.2 | Very low | 23.9 | Very low | 89 Ų | 89 | 138.2 Ų | 138.2 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | trans | -137.5 | 154.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 978 | N | 25.6 | Very low | 23.8 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | -148.4 | 129.1 | 149.6 | -98.9 | -38.7 | 0 | 0 | 0 | 110 | ||||
| 979 | E | 25.6 | Very low | 23.9 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -83.9 | 138.2 | 171.2 | -59.8 | -177.4 | 142.4 | 0 | 0 | 109.8 | ||||
| 980 | T | 25.3 | Very low | 24 | Very low | 144 Ų | 144 | 135 Ų | 135 | 88% | 0.883 | 76% | 0.756 | S | S | * | * | trans | -120 | 131.5 | 151.5 | 35.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 981 | K | 23 | Very low | 24.3 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -92.4 | 121.6 | -172.6 | -64.9 | 163.9 | -175.2 | 158.5 | 0 | 109.9 | ||||
| 982 | I | 24 | Very low | 24.4 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 84% | 0.841 | 75% | 0.751 | S | S | * | * | trans | -120.2 | 139.6 | 156.7 | -60.6 | -176.5 | 0 | 0 | 0 | 107.6 | ||||
| 983 | L | 23.4 | Very low | 24.4 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -79.1 | 137 | -160.8 | -67.4 | 88.7 | 0 | 0 | 0 | 112.5 | P985 | L983-P985 VanDerWaalsContact O-CD 3.3Å; L983-P985 WeakPolarHBondContact O-CD 3.45Å | ||
| 984 | T | 23 | Very low | 24.5 | Very low | 126 Ų | 126 | 125 Ų | 125 | 77% | 0.773 | 72% | 0.724 | S | S | * | * | trans | -100.2 | 101.8 | 166.1 | 34.7 | 0 | 0 | 0 | 0 | 110.1 | T986 | T984-T986 PolarHBondContact O-N 2.71Å; T984-T986 VanDerWaalsContact O-N 3.12Å | ||
| 985 | P | 23.5 | Very low | 24.6 | Very low | 111 Ų | 111 | 124.8 Ų | 124.8 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | trans | -73.1 | 102 | 168.7 | 29.8 | -32 | 0 | 0 | 0 | 109 | L983 I987 | L983-P985 VanDerWaalsContact O-CD 3.3Å; L983-P985 WeakPolarHBondContact O-CD 3.45Å; P985-I987 PolarHBondContact O-N 3.14Å; P985-I987 VanDerWaalsContact O-N 3.14Å | ||
| 986 | T | 23.6 | Very low | 25 | Very low | 64 Ų | 64 | 129.3 Ų | 129.3 | 39% | 0.393 | 72% | 0.72 | S | S | . | * | trans | -76.8 | 98.7 | 167.2 | -48.1 | 0 | 0 | 0 | 0 | 109 | T10 T984 H988 | T10-T986 HydrophobicContact CG2-CG2 4.26Å; T10-T986 PolarHBondContact OG1-OG1 2.81Å; T984-T986 PolarHBondContact O-N 2.71Å; T984-T986 VanDerWaalsContact O-N 3.12Å; T986-H988 PolarHBondContact O-N 3.25Å | ||
| 987 | I | 25.4 | Very low | 25 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | trans | -79.7 | 108.9 | 168 | -63.9 | -179.4 | 0 | 0 | 0 | 108 | P985 L989 | P985-I987 PolarHBondContact O-N 3.14Å; P985-I987 VanDerWaalsContact O-N 3.14Å; I987-L989 HydrophobicContact CG2-CD1 4.31Å; I987-L989 HydrophobicContact CG2-CG 4.08Å; I987-L989 PolarHBondContact O-N 3.49Å | ||
| 988 | H | 23.3 | Very low | 24.8 | Very low | 88 Ų | 88 | 129.2 Ų | 129.2 | 41% | 0.407 | 71% | 0.712 | S | S | . | * | trans | -79.8 | 108.8 | 170.8 | -86.7 | -72.8 | 0 | 0 | 0 | 109.7 | H11 T986 | H11-H988 PolarHBondContact N-CE1 3.34Å; H11-H988 VanDerWaalsContact N-CE1 3.32Å; H11-H988 PolarHBondContact N-NE2 3.12Å; H11-H988 PolarHBondContact O-CE1 2.89Å; T986-H988 PolarHBondContact O-N 3.25Å | ||
| 989 | L | 25.3 | Very low | 24.8 | Very low | 133 Ų | 133 | 130 Ų | 130 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | trans | -116.9 | 124.1 | 161.4 | -71.5 | 171.9 | 0 | 0 | 0 | 109.6 | Y13 I987 | Y13-L989 PolarHBondContact OH-O 3.44Å; Y13-L989 VanDerWaalsContact OH-O 3.08Å; I987-L989 HydrophobicContact CG2-CD1 4.31Å; I987-L989 HydrophobicContact CG2-CG 4.08Å; I987-L989 PolarHBondContact O-N 3.49Å | ||
| 990 | L | 26.2 | Very low | 25.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 146.2 | 160.4 | -78.4 | 68.1 | 0 | 0 | 0 | 107 | P992 | L990-P992 WeakPolarHBondContact O-CD 3.4Š|
| 991 | P | 26.3 | Very low | 25 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.9 | 167.6 | 27.6 | -32.9 | 0 | 0 | 0 | 109.9 | ||
| 992 | P | 25.6 | Very low | 25.2 | Very low | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 131 | 177.6 | 31 | -33 | 0 | 0 | 0 | 111.2 | L990 | L990-P992 WeakPolarHBondContact O-CD 3.4Š|
| 993 | S | 24.6 | Very low | 25.2 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 140.3 | -178.4 | -44.2 | 0 | 0 | 0 | 0 | 112.6 | T995 | S993-T995 PolarHBondContact O-N 2.91Š|
| 994 | P | 26 | Very low | 25.2 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 52% | 0.519 | 68% | 0.682 | S | S | . | * | trans | -77.6 | 38.5 | 177.5 | 33.9 | -37.1 | 0 | 0 | 0 | 113.8 | R996 | P994-R996 PolarHBondContact O-N 2.97Š| ||
| 995 | T | 25.7 | Very low | 25.3 | Very low | 117 Ų | 117 | 124.4 Ų | 124.4 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | -76.5 | 98.2 | 177.2 | 46.8 | 0 | 0 | 0 | 0 | 111.6 | S993 | S993-T995 PolarHBondContact O-N 2.91Š| ||
| 996 | R | 30.3 | Very low | 25.3 | Very low | 232 Ų | 232 | 123.1 Ų | 123.1 | 88% | 0.875 | 67% | 0.668 | S | S | * | * | trans | -42.4 | 145.8 | 162.1 | -76.7 | -178.2 | 170.9 | -175.6 | -1.5 | 111.3 | P994 | P994-R996 PolarHBondContact O-N 2.97Š| ||
| 997 | P | 22.9 | Very low | 25.4 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 62% | 0.617 | 69% | 0.685 | S | S | * | * | -128.4 | 136.2 | 123.7 | 35.5 | -29.5 | 0 | 0 | 0 | 112.2 | F999 | P997-F999 PolarHBondContact O-N 2.84Š| |||
| 998 | S | 22.8 | Very low | 25.3 | Very low | 108 Ų | 108 | 126.4 Ų | 126.4 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | trans | -63.3 | 131.2 | 174.5 | -39.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 999 | F | 24.7 | Very low | 25.5 | Very low | 186 Ų | 186 | 126.4 Ų | 126.4 | 82% | 0.816 | 69% | 0.687 | S | S | * | * | trans | -99.1 | 93.3 | 159.6 | -93.5 | -87 | 0 | 0 | 0 | 109.6 | P997 I1001 | P997-F999 PolarHBondContact O-N 2.84Å; F999-I1001 HydrophobicContact CD1-CD1 4.46Å | ||
| 1000 | K | 31.3 | Very low | 25.4 | Very low | 177 Ų | 177 | 126.4 Ų | 126.4 | 77% | 0.77 | 69% | 0.692 | S | S | * | * | trans | -88 | 114.6 | 149.6 | -86.3 | -168.6 | 174.9 | -174.1 | 0 | 107.5 | ||||
| 1001 | I | 23.7 | Very low | 25.7 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 74% | 0.738 | 68% | 0.682 | S | S | * | * | trans | -136.3 | 122.5 | 151.4 | -62.2 | -174.7 | 0 | 0 | 0 | 106.1 | F999 | F999-I1001 HydrophobicContact CD1-CD1 4.46Š| ||
| 1002 | N | 27.5 | Very low | 25.7 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | trans | -80 | 144.6 | -176.6 | -62 | 7.1 | 0 | 0 | 0 | 110.7 | ||||
| 1003 | G | 24 | Very low | 25.7 | Very low | 78 Ų | 78 | 121.1 Ų | 121.1 | 80% | 0.804 | 66% | 0.658 | S | S | * | * | trans | -135.1 | 87.3 | 165 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1004 | N | 24.5 | Very low | 25.8 | Very low | 109 Ų | 109 | 119.2 Ų | 119.2 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | trans | -65.3 | 139.6 | -176.5 | -69.6 | 4.2 | 0 | 0 | 0 | 111.7 | H1484 | N1004-H1484 VanDerWaalsContact CB-CE1 3.46Å; N1004-H1484 WeakPolarHBondContact CB-CE1 3.47Å; N1004-H1484 VanDerWaalsContact CB-NE2 3.32Å; N1004-H1484 WeakPolarHBondContact CB-NE2 3.46Å; N1004-H1484 PolarHBondContact O-CE1 3.07Å; N1004-H1484 VanDerWaalsContact O-CE1 3.28Å | ||
| 1005 | K | 24.8 | Very low | 25.9 | Very low | 182 Ų | 182 | 121 Ų | 121 | 79% | 0.791 | 64% | 0.641 | S | S | * | * | -151.5 | 109.6 | 124.9 | -94.8 | -179.4 | -179.9 | -175.7 | 0 | 103.9 | |||||
| 1006 | Q | 22 | Very low | 26 | Very low | 85 Ų | 85 | 120.1 Ų | 120.1 | 40% | 0.397 | 63% | 0.632 | S | S | . | * | 46.2 | 98.6 | 94.6 | -61.1 | -154.9 | -20 | 0 | 0 | 109.5 | |||||
| 1007 | M | 26.7 | Very low | 25.9 | Very low | 154 Ų | 154 | 112.3 Ų | 112.3 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | 47.5 | 99 | 69 | -156.8 | -168.1 | 172.6 | 0 | 0 | 107.9 | V1009 | M1007-V1009 HydrophobicContact CE-CG2 4.46Š| |||
| 1008 | N | 23 | Very low | 26.1 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 63% | 0.626 | 61% | 0.613 | S | S | * | * | -133.1 | 157.9 | 74.3 | -87.6 | 2.6 | 0 | 0 | 0 | 111.6 | |||||
| 1009 | V | 28.6 | Very low | 26.2 | Very low | 87 Ų | 87 | 110.9 Ų | 110.9 | 53% | 0.527 | 59% | 0.594 | S | S | . | * | 57.3 | 114.8 | 61.1 | -178.7 | 0 | 0 | 0 | 0 | 108.5 | M1007 K1011 | M1007-V1009 HydrophobicContact CE-CG2 4.46Å; V1009-K1011 HydrophobicContact CG1-CB 4.38Å; V1009-K1011 HydrophobicContact CG1-CD 4.11Å; V1009-K1011 HydrophobicContact CG1-CG 3.96Å | |||
| 1010 | V | 23.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 107.2 Ų | 107.2 | 81% | 0.806 | 58% | 0.582 | S | S | * | * | -135.4 | 130 | 72.8 | 156.9 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1011 | K | 30.6 | Very low | 25.9 | Very low | 113 Ų | 113 | 102 Ų | 102 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | 65 | 61.4 | 65.8 | -80.6 | -169.4 | 167.5 | -68.1 | 0 | 114.1 | V1009 D1013 | V1009-K1011 HydrophobicContact CG1-CB 4.38Å; V1009-K1011 HydrophobicContact CG1-CD 4.11Å; V1009-K1011 HydrophobicContact CG1-CG 3.96Å; K1011-D1013 HydrophobicContact CB-CB 4.06Å; K1011-D1013 HydrophobicContact CG-CB 3.75Å; K1011-D1013 WeakPolarHBondContact CG-OD1 3.41Å; K1011-D1013 IonicContact NZ-OD1 2.84Å; K1011-D1013 PolarHBondContact NZ-OD1 2.99Å; K1011-D1013 IonicContact NZ-OD2 2.75Å; K1011-D1013 PolarHBondContact NZ-OD2 3.13Å | |||
| 1012 | G | 26.3 | Very low | 25.9 | Very low | 42 Ų | 42 | 98.8 Ų | 98.8 | 43% | 0.433 | 54% | 0.543 | S | S | . | . | -92 | 123 | 118.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | V469 | V469-G1012 CarbonylContact O-C 3.23Å; V469-G1012 WeakPolarHBondContact O-CA 3.31Å | |||
| 1013 | D | 27.2 | Very low | 25.7 | Very low | 85 Ų | 85 | 97.5 Ų | 97.5 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | trans | -169.2 | -19.2 | -154 | 147.8 | 138.5 | 0 | 0 | 0 | 114.7 | L468 V469 K1011 | L468-D1013 PolarHBondContact O-N 2.77Å; V469-D1013 PolarHBondContact O-N 2.82Å; K1011-D1013 HydrophobicContact CB-CB 4.06Å; K1011-D1013 HydrophobicContact CG-CB 3.75Å; K1011-D1013 WeakPolarHBondContact CG-OD1 3.41Å; K1011-D1013 IonicContact NZ-OD1 2.84Å; K1011-D1013 PolarHBondContact NZ-OD1 2.99Å; K1011-D1013 IonicContact NZ-OD2 2.75Å; K1011-D1013 PolarHBondContact NZ-OD2 3.13Å | ||
| 1014 | L | 26.1 | Very low | 26 | Very low | 51 Ų | 51 | 96.2 Ų | 96.2 | 27% | 0.267 | 51% | 0.513 | S | S | . | . | trans | -101.2 | 146.9 | -160.2 | -70.1 | 90.2 | 0 | 0 | 0 | 113.8 | T467 L468 V469 | T467-L1014 VanDerWaalsContact O-CB 3.24Å; T467-L1014 WeakPolarHBondContact O-CB 2.96Å; T467-L1014 WeakPolarHBondContact O-CD2 3.03Å; L468-L1014 CarbonylContact C-O 3.24Å; L468-L1014 VanDerWaalsContact C-O 3.28Å; L468-L1014 PolarHBondContact O-N 2.97Å; V469-L1014 PolarHBondContact N-O 2.77Å | ||
| 1015 | H | 28.5 | Very low | 26.3 | Very low | 119 Ų | 119 | 95.8 Ų | 95.8 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | 42.7 | 139 | 120.7 | -45 | -169.1 | 0 | 0 | 0 | 118 | |||||
| 1016 | D | 28.1 | Very low | 26.3 | Very low | 97 Ų | 97 | 91.8 Ų | 91.8 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | -148 | 157.8 | 52.8 | -87.6 | -47.8 | 0 | 0 | 0 | 114.2 | G466 T467 | G466-D1016 VanDerWaalsContact CA-OD1 3.29Å; G466-D1016 WeakPolarHBondContact CA-OD1 3.34Å; G466-D1016 WeakPolarHBondContact CA-OD2 3.24Å; T467-D1016 WeakPolarHBondContact CA-OD2 3.43Å; T467-D1016 PolarHBondContact N-OD1 2.68Å; T467-D1016 PolarHBondContact N-OD2 3.16Å | |||
| 1017 | S | 27.2 | Very low | 26.4 | Very low | 69 Ų | 69 | 93.1 Ų | 93.1 | 48% | 0.483 | 52% | 0.518 | S | S | . | . | cis | -157.3 | 179.5 | -17.6 | -130.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1018 | N | 27.2 | Very low | 26.2 | Very low | 115 Ų | 115 | 89.9 Ų | 89.9 | 62% | 0.615 | 50% | 0.503 | S | S | * | . | trans | -28.8 | 158.6 | 141.8 | -41 | -85 | 0 | 0 | 0 | 113.4 | ||||
| 1019 | V | 25.1 | Very low | 26.4 | Very low | 58 Ų | 58 | 87.3 Ų | 87.3 | 35% | 0.352 | 49% | 0.494 | S | S | . | . | -158.6 | 119.5 | 65.5 | 155.6 | 0 | 0 | 0 | 0 | 108.4 | N373 L1021 | N373-V1019 PolarHBondContact ND2-O 2.88Å; V1019-L1021 HydrophobicContact CG1-CD1 4.45Å | |||
| 1020 | L | 25 | Very low | 26.2 | Very low | 108 Ų | 108 | 88.1 Ų | 88.1 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | 71.4 | 126.5 | 63.6 | -146.4 | -179.6 | 0 | 0 | 0 | 111.5 | |||||
| 1021 | L | 24 | Very low | 26.7 | Very low | 69 Ų | 69 | 86 Ų | 86 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | trans | 131.5 | 139.9 | 143.3 | -71.8 | 166 | 0 | 0 | 0 | 119.4 | E375 V1019 | E375-L1021 PolarHBondContact OE2-N 3.23Å; V1019-L1021 HydrophobicContact CG1-CD1 4.45Å | ||
| 1022 | K | 25.3 | Very low | 26.4 | Very low | 75 Ų | 75 | 88.8 Ų | 88.8 | 33% | 0.326 | 50% | 0.5 | S | S | . | . | trans | 68.8 | 156.8 | 144.5 | -67.3 | 159.3 | -172.1 | 169 | 0 | 118.3 | D462 | D462-K1022 IonicContact OD1-NZ 2.86Å; D462-K1022 PolarHBondContact OD1-NZ 2.7Å | ||
| 1023 | L | 22 | Very low | 26.2 | Very low | 102 Ų | 102 | 90.3 Ų | 90.3 | 53% | 0.534 | 50% | 0.504 | S | S | . | . | cis | -163.9 | 137.5 | -14.5 | -112.3 | 167 | 0 | 0 | 0 | 110.5 | Q377 | Q377-L1023 PolarHBondContact NE2-O 2.74Å; Q377-L1023 PolarHBondContact OE1-O 3.09Å | ||
| 1024 | C | 30.7 | Very low | 26.1 | Very low | 50 Ų | 50 | 90.9 Ų | 90.9 | 34% | 0.338 | 51% | 0.507 | S | S | . | . | trans | -51.1 | 151.3 | 167 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | Q377 R378 | Q377-C1024 VanDerWaalsContact OE1-CA 3.29Å; R378-C1024 PolarHBondContact O-SG 3.27Å | ||
| 1025 | P | 31 | Very low | 26 | Very low | 100 Ų | 100 | 93.7 Ų | 93.7 | 65% | 0.649 | 52% | 0.522 | S | S | * | . | -160.4 | 164.4 | 57.4 | 44 | -22.7 | 0 | 0 | 0 | 121.4 | |||||
| 1026 | N | 24.6 | Very low | 25.9 | Very low | 99 Ų | 99 | 92.9 Ų | 92.9 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | trans | 39.3 | 166.2 | 131.5 | -53.7 | -12.8 | 0 | 0 | 0 | 125.7 | ||||
| 1027 | V | 23.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 92.4 Ų | 92.4 | 69% | 0.685 | 52% | 0.516 | S | S | * | . | trans | 96.4 | 130.3 | 155.1 | -171.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1028 | D | 23.6 | Very low | 25.8 | Very low | 86 Ų | 86 | 93.6 Ų | 93.6 | 46% | 0.46 | 51% | 0.513 | S | S | . | . | cis | -151.5 | 164 | 23.1 | -141.5 | -32.1 | 0 | 0 | 0 | 117.2 | N382 N383 A384 | N382-D1028 CarbonylContact O-C 3.56Å; N382-D1028 VanDerWaalsContact O-C 3.25Å; N382-D1028 PolarHBondContact O-N 3.45Å; N383-D1028 CarbonylContact C-O 3.59Å; N383-D1028 WeakPolarHBondContact CA-O 3.49Å; N383-D1028 VanDerWaalsContact CB-O 3.23Å; N383-D1028 WeakPolarHBondContact CB-O 3.22Å; A384-D1028 WeakPolarHBondContact CA-O 3.21Å; A384-D1028 HydrophobicContact CB-CB 4.24Å; A384-D1028 WeakPolarHBondContact CB-O 3.32Å; A384-D1028 PolarHBondContact N-O 3.19Å | ||
| 1029 | S | 25.5 | Very low | 25.9 | Very low | 62 Ų | 62 | 93 Ų | 93 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | trans | 23.8 | 136.8 | 147.2 | -66.5 | 0 | 0 | 0 | 0 | 125.2 | N383 A384 | N383-S1029 WeakPolarHBondContact CB-O 3.21Å; N383-S1029 PolarHBondContact ND2-O 3Å; A384-S1029 VanDerWaalsContact CA-O 3.29Å; A384-S1029 WeakPolarHBondContact CA-O 3.35Å; A384-S1029 PolarHBondContact N-O 2.92Å | ||
| 1030 | N | 25.5 | Very low | 26.3 | Very low | 104 Ų | 104 | 95.8 Ų | 95.8 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | cis | -162.4 | -177.8 | -22.3 | -123.7 | -10.3 | 0 | 0 | 0 | 109.6 | N382 N383 | N382-N1030 PolarHBondContact ND2-OD1 3.46Å; N383-N1030 VanDerWaalsContact CG-O 3.22Å; N383-N1030 PolarHBondContact ND2-N 2.85Å; N383-N1030 VanDerWaalsContact ND2-N 3.17Å; N383-N1030 PolarHBondContact ND2-O 3.39Å; N383-N1030 VanDerWaalsContact OD1-C 3.22Å; N383-N1030 PolarHBondContact OD1-O 3.06Å; N383-N1030 VanDerWaalsContact OD1-O 3.05Å | ||
| 1031 | P | 32.9 | Very low | 26.9 | Very low | 90 Ų | 90 | 93.7 Ų | 93.7 | 58% | 0.584 | 51% | 0.506 | S | S | * | . | trans | -119.8 | -123.7 | -140 | 43 | -26.8 | 0 | 0 | 0 | 116 | ||||
| 1032 | E | 23.8 | Very low | 27 | Very low | 171 Ų | 171 | 95.5 Ų | 95.5 | 80% | 0.799 | 51% | 0.513 | S | S | * | . | trans | 94.8 | 87.5 | 162 | -62.6 | -164.6 | 170.8 | 0 | 0 | 123.2 | ||||
| 1033 | S | 23.8 | Very low | 27.1 | Very low | 74 Ų | 74 | 95.6 Ų | 95.6 | 52% | 0.517 | 54% | 0.535 | S | S | . | . | 114.1 | 144.4 | 96.1 | 81.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1034 | N | 24.2 | Very low | 27.2 | Very low | 97 Ų | 97 | 96.2 Ų | 96.2 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | trans | 75.9 | 111.5 | 136 | -74.1 | -27.2 | 0 | 0 | 0 | 123.6 | ||||
| 1035 | N | 25.2 | Very low | 26.9 | Very low | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | 90.8 | 102.5 | 120.3 | -69.4 | -26.9 | 0 | 0 | 0 | 122.3 | |||||
| 1036 | N | 25.3 | Very low | 26.5 | Very low | 101 Ų | 101 | 102.8 Ų | 102.8 | 54% | 0.54 | 56% | 0.558 | S | S | . | * | 93.8 | 108.2 | 113.2 | -72 | -30 | 0 | 0 | 0 | 122.4 | |||||
| 1037 | Q | 25.6 | Very low | 26.4 | Very low | 87 Ų | 87 | 107.4 Ų | 107.4 | 41% | 0.407 | 57% | 0.569 | S | S | . | * | 98.1 | 100.1 | 113.6 | -68.7 | -177.6 | 42.6 | 0 | 0 | 122.6 | E1576 N1577 | Q1037-E1576 PolarHBondContact OE1-O 2.89Å; Q1037-N1577 WeakPolarHBondContact CB-O 3.45Å; Q1037-N1577 PolarHBondContact OE1-O 3.31Å | |||
| 1038 | K | 28.3 | Very low | 26.4 | Very low | 94 Ų | 94 | 106.9 Ų | 106.9 | 41% | 0.409 | 57% | 0.571 | S | S | . | * | 90.8 | 109 | 111.5 | -73 | 171.4 | -175.7 | 172.5 | 0 | 122.5 | E1575 E1576 | K1038-E1575 WeakPolarHBondContact CD-O 3.37Å; K1038-E1575 WeakPolarHBondContact CE-O 3.32Å; K1038-E1575 PolarHBondContact NZ-O 3.37Å; K1038-E1576 WeakPolarHBondContact CD-O 3.37Å; K1038-E1576 WeakPolarHBondContact CE-O 3.21Å; K1038-E1576 PolarHBondContact NZ-O 3.19Å | |||
| 1039 | K | 29.2 | Very low | 26.4 | Very low | 102 Ų | 102 | 111.7 Ų | 111.7 | 44% | 0.443 | 59% | 0.588 | S | S | . | * | 86.7 | 109.9 | 113.7 | -70.9 | 175.1 | 179.1 | 176.8 | 0 | 121.9 | T1574 E1575 | K1039-T1574 PolarHBondContact NZ-O 3.2Å; K1039-E1575 PolarHBondContact NZ-O 3.07Å | |||
| 1040 | H | 33.7 | Very low | 26.3 | Very low | 117 Ų | 117 | 113.2 Ų | 113.2 | 54% | 0.542 | 60% | 0.598 | S | S | . | * | 72 | 171.1 | 123.6 | -73.5 | -46.1 | 0 | 0 | 0 | 119.6 | I1573 | H1040-I1573 HydrophobicContact CB-CG1 4.1Å; H1040-I1573 PolarHBondContact CD2-N 2.82Å; H1040-I1573 VanDerWaalsContact CD2-N 3.25Å; H1040-I1573 PolarHBondContact NE2-N 2.88Å | |||
| 1041 | P | 36 | Very low | 26.2 | Very low | 64 Ų | 64 | 114.6 Ų | 114.6 | 42% | 0.416 | 61% | 0.606 | S | S | . | * | -146.6 | -169.8 | -52.2 | 45.2 | -29.2 | 0 | 0 | 0 | 115.4 | L1572 I1573 | P1041-L1572 HydrophobicContact CB-CD1 3.93Å; P1041-L1572 HydrophobicContact CB-CD2 3.95Å; P1041-L1572 HydrophobicContact CB-CG 4.49Å; P1041-L1572 HydrophobicContact CG-CD1 3.87Å; P1041-I1573 HydrophobicContact CG-CD1 3.5Å; P1041-I1573 HydrophobicContact CG-CG1 3.82Å | |||
| 1042 | E | 27.6 | Very low | 26 | Very low | 108 Ų | 108 | 117 Ų | 117 | 51% | 0.505 | 62% | 0.618 | S | S | . | * | trans | 67.4 | 149.6 | 156.3 | -61.4 | -147.8 | 132.1 | 0 | 0 | 120.8 | R1571 L1572 | E1042-R1571 VanDerWaalsContact CD-NH2 3.28Å; E1042-R1571 IonicContact OE1-CZ 3.37Å; E1042-R1571 IonicContact OE1-NE 2.82Å; E1042-R1571 PolarHBondContact OE1-NE 2.93Å; E1042-R1571 IonicContact OE1-NH1 3.32Å; E1042-R1571 IonicContact OE1-NH2 3.96Å; E1042-R1571 PolarHBondContact OE1-NH2 3.2Å; E1042-R1571 IonicContact OE2-CZ 3.12Å; E1042-R1571 IonicContact OE2-NE 3.17Å; E1042-R1571 IonicContact OE2-NH1 3.75Å; E1042-R1571 PolarHBondContact OE2-NH1 2.8Å; E1042-R1571 IonicContact OE2-NH2 3.46Å; E1042-R1571 PolarHBondContact OE2-NH2 2.92Å; E1042-R1571 VanDerWaalsContact OE2-NH2 3.12Å; E1042-L1572 HydrophobicContact CG-CD1 3.31Å; E1042-L1572 WeakPolarHBondContact OE1-CD1 3.36Å | ||
| 1043 | G | 27 | Very low | 26.1 | Very low | 76 Ų | 76 | 114.4 Ų | 114.4 | 78% | 0.784 | 61% | 0.61 | S | S | * | * | trans | 165.8 | 79.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1044 | N | 24.3 | Very low | 26.2 | Very low | 116 Ų | 116 | 116.2 Ų | 116.2 | 62% | 0.62 | 61% | 0.609 | S | S | * | * | trans | -72.4 | 153.1 | -170.8 | -112.2 | 24.1 | 0 | 0 | 0 | 114.1 | ||||
| 1045 | E | 23.6 | Very low | 26.2 | Very low | 152 Ų | 152 | 114.8 Ų | 114.8 | 71% | 0.71 | 60% | 0.603 | S | S | * | * | trans | 74.4 | 107.2 | 138.9 | -76 | 174.5 | -149 | 0 | 0 | 123.2 | ||||
| 1046 | M | 22.8 | Very low | 26.1 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 67% | 0.67 | 60% | 0.6 | S | S | * | * | 89.9 | 152.1 | 105.3 | -152.6 | -179.1 | -168 | 0 | 0 | 120 | |||||
| 1047 | Y | 22.5 | Very low | 26.2 | Very low | 195 Ų | 195 | 117 Ų | 117 | 77% | 0.765 | 61% | 0.614 | S | S | * | * | trans | 59.7 | 104.7 | 172.2 | -68.9 | -71.1 | 0 | 0 | 0 | 119.5 | ||||
| 1048 | S | 24 | Very low | 26 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 63% | 0.628 | S | S | * | * | -178.1 | 128.9 | 120.3 | -85.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1049 | K | 24.3 | Very low | 25.8 | Very low | 187 Ų | 187 | 119.6 Ų | 119.6 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | 49.2 | 90.5 | 94.3 | -59.7 | 173.1 | -177.4 | 169.9 | 0 | 111.8 | |||||
| 1050 | S | 22.5 | Very low | 25.8 | Very low | 94 Ų | 94 | 122.6 Ų | 122.6 | 66% | 0.657 | 66% | 0.664 | S | S | * | * | 73.3 | 124.4 | 72.4 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1051 | N | 23.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 122 Ų | 122 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | trans | 61.9 | 110.8 | 160.5 | -54.4 | -12.9 | 0 | 0 | 0 | 117.8 | ||||
| 1052 | V | 29.7 | Very low | 24.8 | Very low | 139 Ų | 139 | 125 Ų | 125 | 84% | 0.842 | 68% | 0.677 | S | S | * | * | -159.8 | 109.8 | 104.9 | 169 | 0 | 0 | 0 | 0 | 104.4 | |||||
| 1053 | N | 24.6 | Very low | 24.9 | Very low | 118 Ų | 118 | 125.3 Ų | 125.3 | 63% | 0.631 | 69% | 0.691 | S | S | * | * | cis | 58.4 | 75.7 | 48.6 | -80.5 | 0.3 | 0 | 0 | 0 | 115.5 | ||||
| 1054 | K | 25.2 | Very low | 24.7 | Very low | 112 Ų | 112 | 127 Ų | 127 | 49% | 0.487 | 68% | 0.682 | S | S | . | * | trans | -170 | 146.2 | 140 | -102.8 | -166.6 | 174.3 | -169.9 | 0 | 109.4 | N1258 E1260 | K1054-N1258 WeakPolarHBondContact CB-OD1 3.31Å; K1054-E1260 IonicContact NZ-OE1 2.71Å; K1054-E1260 PolarHBondContact NZ-OE1 3.37Å | ||
| 1055 | V | 25.1 | Very low | 24.7 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 40% | 0.4 | 69% | 0.688 | S | S | . | * | cis | -146.1 | 158.6 | -13.1 | 86.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1056 | N | 24.1 | Very low | 24.9 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 52% | 0.519 | 68% | 0.683 | S | S | . | * | trans | -50.3 | 154.3 | 176.7 | -11.6 | -61.3 | 0 | 0 | 0 | 114.9 | V1058 | N1056-V1058 HydrophobicContact CB-CG2 4.16Š| ||
| 1057 | L | 25.5 | Very low | 25.1 | Very low | 161 Ų | 161 | 124.7 Ų | 124.7 | 84% | 0.843 | 68% | 0.675 | S | S | * | * | -162.5 | 110.8 | 109.6 | -88.2 | 140.4 | 0 | 0 | 0 | 106.1 | |||||
| 1058 | V | 22.6 | Very low | 25.1 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 70% | 0.703 | 68% | 0.675 | S | S | * | * | 56.6 | 91.8 | 72.2 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | N1056 | N1056-V1058 HydrophobicContact CB-CG2 4.16Š| |||
| 1059 | S | 23.8 | Very low | 25.3 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | trans | -162.3 | 127.6 | 149.4 | -78.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1060 | E | 28.2 | Very low | 25.8 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | -67.4 | 161.9 | 160.2 | -53.3 | 179.8 | 142.8 | 0 | 0 | 108.3 | ||||
| 1061 | P | 26.4 | Very low | 26.2 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 67% | 0.669 | 66% | 0.657 | S | S | * | * | -155.7 | 162.9 | 95.4 | 39.1 | -21 | 0 | 0 | 0 | 117.5 | |||||
| 1062 | K | 24.1 | Very low | 26.1 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | trans | 56 | 89.7 | 142 | -66.7 | 159.1 | -167 | 168 | 0 | 117.3 | N1064 C1944 | K1062-N1064 PolarHBondContact O-N 2.64Å; K1062-N1064 VanDerWaalsContact O-N 3.1Å; K1062-C1944 WeakPolarHBondContact CE-O 3.1Å; K1062-C1944 PolarHBondContact NZ-O 3.24Å | ||
| 1063 | S | 28 | Very low | 25.8 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | -59.6 | 98.8 | 120.3 | 57.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 1064 | N | 23.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 59% | 0.588 | 64% | 0.64 | S | S | * | * | trans | 175.9 | 136 | 154.6 | -92.6 | 5 | 0 | 0 | 0 | 108.6 | K1062 | K1062-N1064 PolarHBondContact O-N 2.64Å; K1062-N1064 VanDerWaalsContact O-N 3.1Å | ||
| 1065 | F | 23.5 | Very low | 25.6 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | cis | -153.7 | -173.2 | -1.5 | -140.2 | -159.3 | 0 | 0 | 0 | 112.1 | ||||
| 1066 | L | 29.3 | Very low | 26 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 60% | 0.602 | 65% | 0.652 | S | S | * | * | trans | -56.1 | 166.5 | 167.9 | -74.7 | 152.7 | 0 | 0 | 0 | 112.2 | ||||
| 1067 | S | 25.5 | Very low | 26.1 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 51% | 0.51 | 66% | 0.659 | S | S | . | * | trans | 58.1 | 88.6 | 164.3 | 53.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1068 | N | 22.7 | Very low | 26 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | -121.2 | 105.5 | 76.6 | -71.5 | -52.7 | 0 | 0 | 0 | 106.9 | M2116 | N1068-M2116 WeakPolarHBondContact OD1-CE 3.42Š| |||
| 1069 | L | 28.3 | Very low | 26.1 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | cis | 58.5 | 107.5 | 47.8 | -123 | -175.9 | 0 | 0 | 0 | 111.5 | ||||
| 1070 | Q | 36.1 | Very low | 26.2 | Very low | 165 Ų | 165 | 123.9 Ų | 123.9 | 77% | 0.771 | 64% | 0.635 | S | S | * | * | trans | 66.5 | 176.3 | 153.6 | -93.8 | -174.8 | 11.5 | 0 | 0 | 116.2 | ||||
| 1071 | P | 29.9 | Very low | 25.9 | Very low | 73 Ų | 73 | 120.6 Ų | 120.6 | 47% | 0.474 | 63% | 0.631 | S | S | . | * | cis | -123.3 | 178.6 | 7.6 | 19.1 | 6.6 | 0 | 0 | 0 | 116 | ||||
| 1072 | R | 21.6 | Very low | 25.7 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | trans | 77.2 | 122.6 | 172.7 | -56.4 | 108 | -165.1 | -166.3 | 4.3 | 114.3 | N2113 | R1072-N2113 PolarHBondContact NE-OD1 3.12Å; R1072-N2113 VanDerWaalsContact NH2-CG 3.29Å; R1072-N2113 PolarHBondContact NH2-OD1 3.49Å | ||
| 1073 | N | 22.8 | Very low | 25.8 | Very low | 113 Ų | 113 | 118.9 Ų | 118.9 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | cis | 98.7 | 158.2 | 33.8 | -69 | 3.9 | 0 | 0 | 0 | 111.7 | ||||
| 1074 | F | 23 | Very low | 25.7 | Very low | 161 Ų | 161 | 119 Ų | 119 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | trans | 74.6 | 130.7 | 170.4 | -50 | -70.2 | 0 | 0 | 0 | 114.3 | R333 | R333-F1074 PolarHBondContact NH2-O 3.28Š| ||
| 1075 | T | 23.2 | Very low | 25.7 | Very low | 92 Ų | 92 | 120.4 Ų | 120.4 | 56% | 0.564 | 61% | 0.614 | S | S | * | * | cis | -135.8 | 170.6 | -8.8 | -33.3 | 0 | 0 | 0 | 0 | 106.6 | R333 | R333-T1075 PolarHBondContact NE-O 3.46Å; R333-T1075 PolarHBondContact NH2-O 3.48Å | ||
| 1076 | R | 34.1 | Very low | 25.8 | Very low | 153 Ų | 153 | 120.1 Ų | 120.1 | 58% | 0.577 | 62% | 0.615 | S | S | * | * | cis | 51.8 | 158.6 | 37.3 | -92.6 | -157.1 | -175.6 | -142.3 | 10.6 | 114.5 | L1078 N1079 | R1076-L1078 WeakPolarHBondContact CD-O 3.44Å; R1076-L1078 HydrophobicContact CG-CB 4Å; R1076-L1078 PolarHBondContact NH1-O 2.76Å; R1076-N1079 PolarHBondContact NH1-OD1 2.83Å | ||
| 1077 | P | 24.8 | Very low | 25.5 | Very low | 101 Ų | 101 | 117.6 Ų | 117.6 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | cis | -79.4 | 174.6 | -5.8 | -1.5 | 22.2 | 0 | 0 | 0 | 111.1 | N1079 | P1077-N1079 HydrophobicContact CB-CB 4.4Š| ||
| 1078 | L | 25 | Very low | 25.5 | Very low | 117 Ų | 117 | 120.6 Ų | 120.6 | 61% | 0.613 | 63% | 0.627 | S | S | * | * | cis | 42.6 | 75.1 | -19.5 | -131 | 171.6 | 0 | 0 | 0 | 118 | R1076 | R1076-L1078 WeakPolarHBondContact CD-O 3.44Å; R1076-L1078 HydrophobicContact CG-CB 4Å; R1076-L1078 PolarHBondContact NH1-O 2.76Å | ||
| 1079 | N | 24 | Very low | 25.6 | Very low | 93 Ų | 93 | 120.3 Ų | 120.3 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | trans | -151.9 | 127 | 132.4 | -98.6 | 3.2 | 0 | 0 | 0 | 104.7 | R1076 P1077 | R1076-N1079 PolarHBondContact NH1-OD1 2.83Å; P1077-N1079 HydrophobicContact CB-CB 4.4Å | ||
| 1080 | Q | 25 | Very low | 25.4 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 77% | 0.771 | 63% | 0.631 | S | S | * | * | 67.2 | 127.5 | 108 | -61.9 | 170.9 | -16.3 | 0 | 0 | 113.8 | |||||
| 1081 | S | 22.9 | Very low | 24.9 | Very low | 98 Ų | 98 | 122.4 Ų | 122.4 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | cis | -165.5 | -179.9 | -8.9 | 45.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1082 | T | 22.9 | Very low | 24.8 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 67% | 0.669 | 63% | 0.626 | S | S | * | * | trans | 26.2 | 120.5 | 145 | 50.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1083 | Q | 24.6 | Very low | 25.1 | Very low | 84 Ų | 84 | 119.4 Ų | 119.4 | 39% | 0.393 | 63% | 0.627 | S | S | . | * | cis | -158.7 | 141.5 | 31.8 | -109.2 | 171.4 | 2.7 | 0 | 0 | 109.3 | R1212 A1214 | Q1083-R1212 PolarHBondContact NE2-O 2.83Å; Q1083-A1214 PolarHBondContact OE1-O 3.13Å | ||
| 1084 | Q | 26.2 | Very low | 25.4 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | 79.3 | 106.5 | 80.8 | -168.1 | 179.5 | -1.1 | 0 | 0 | 113.9 | |||||
| 1085 | E | 24.4 | Very low | 25.6 | Very low | 140 Ų | 140 | 114.9 Ų | 114.9 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | trans | 76.8 | 157.5 | 148.7 | -71.2 | 173.4 | -141 | 0 | 0 | 119.4 | ||||
| 1086 | Q | 24.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 115.5 Ų | 115.5 | 76% | 0.762 | 63% | 0.632 | S | S | * | * | cis | -144.1 | 135.1 | 1.6 | -141.6 | 176.5 | 85.3 | 0 | 0 | 113.6 | ||||
| 1087 | G | 24.3 | Very low | 25.5 | Very low | 63 Ų | 63 | 119.2 Ų | 119.2 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | trans | 71.4 | 173.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1088 | N | 25.1 | Very low | 25.7 | Very low | 136 Ų | 136 | 124.9 Ų | 124.9 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | cis | -160 | 169.7 | -16 | -119.2 | -37.6 | 0 | 0 | 0 | 110.5 | ||||
| 1089 | F | 24 | Very low | 25.7 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 60% | 0.596 | 67% | 0.669 | S | S | * | * | trans | 72.4 | 117.1 | 175.7 | -57 | -72.2 | 0 | 0 | 0 | 115.9 | L643 | L643-F1089 HydrophobicContact CD2-CE2 4.38Š| ||
| 1090 | R | 24.3 | Very low | 25.7 | Very low | 212 Ų | 212 | 130.6 Ų | 130.6 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | 75.4 | 132.8 | 66.2 | -73 | -162.3 | -157 | 172.7 | 3.2 | 112.7 | |||||
| 1091 | T | 26.6 | Very low | 25.8 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | cis | -163.4 | 135.6 | -5.4 | 7.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1092 | S | 26.4 | Very low | 26 | Very low | 71 Ų | 71 | 129 Ų | 129 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | 67.9 | 129.2 | 135.9 | 73.3 | 0 | 0 | 0 | 0 | 123.3 | S473 L474 | S473-S1092 PolarHBondContact OG-O 2.87Å; L474-S1092 WeakPolarHBondContact CD1-O 3.3Å; L474-S1092 WeakPolarHBondContact CD1-OG 3.06Å | ||
| 1093 | S | 28.3 | Very low | 26.2 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 55% | 0.545 | 68% | 0.678 | S | S | . | * | trans | -167.7 | 130.3 | 141.6 | -91.3 | 0 | 0 | 0 | 0 | 107.8 | S473 L474 | S473-S1093 PolarHBondContact OG-OG 3.1Å; L474-S1093 WeakPolarHBondContact CG-OG 3.33Å | ||
| 1094 | S | 29.1 | Very low | 26.3 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | cis | 81.1 | 127.5 | 12.2 | -152 | 0 | 0 | 0 | 0 | 115 | ||||
| 1095 | S | 27.7 | Very low | 26.5 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | cis | -179.2 | 138.9 | -10.5 | 43 | 0 | 0 | 0 | 0 | 112 | ||||
| 1096 | S | 29.9 | Very low | 26.6 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | trans | 179.4 | 82.3 | 141.7 | -179.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1097 | W | 24.1 | Very low | 26.6 | Very low | 230 Ų | 230 | 130.5 Ų | 130.5 | 87% | 0.871 | 71% | 0.708 | S | S | * | * | trans | -101.7 | 142.1 | 149.9 | -76.1 | 86.7 | 0 | 0 | 0 | 108.4 | ||||
| 1098 | R | 29.8 | Very low | 26.8 | Very low | 221 Ų | 221 | 136.3 Ų | 136.3 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -125.8 | 138.6 | 172.6 | -79.3 | -167.3 | 177.2 | -163.1 | 0.2 | 110 | ||||
| 1099 | L | 24.8 | Very low | 26.8 | Very low | 176 Ų | 176 | 133.9 Ų | 133.9 | 92% | 0.921 | 72% | 0.717 | S | S | * | * | trans | -71.2 | 138.1 | -175.5 | -52.8 | 97.8 | 0 | 0 | 0 | 111.3 | ||||
| 1100 | F | 25.3 | Very low | 26.9 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | trans | -105.7 | 148.3 | 158.5 | -90.2 | -105.3 | 0 | 0 | 0 | 109.3 | ||||
| 1101 | P | 26.6 | Very low | 26.9 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | trans | -79.2 | 138.7 | -176.8 | 32 | -33.9 | 0 | 0 | 0 | 111.6 | P1103 | P1101-P1103 WeakPolarHBondContact O-CD 3.11Š| ||
| 1102 | C | 26 | Very low | 26.9 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -63.6 | 127.2 | 168.6 | -70.5 | 0 | 0 | 0 | 0 | 110.2 | L1104 | C1102-L1104 PolarHBondContact O-N 3.11Š| ||
| 1103 | P | 28.4 | Very low | 26.8 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 62% | 0.617 | 73% | 0.734 | S | S | * | * | trans | -75.2 | 90.3 | 176.3 | 29.9 | -33.5 | 0 | 0 | 0 | 110.2 | P1101 T1105 | P1101-P1103 WeakPolarHBondContact O-CD 3.11Å; P1103-T1105 PolarHBondContact O-N 2.84Å; P1103-T1105 VanDerWaalsContact O-N 3.11Å | ||
| 1104 | L | 26.2 | Very low | 26.8 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | trans | -54.2 | 115.5 | 169.7 | -76.3 | 169.3 | 0 | 0 | 0 | 109.9 | C1102 L1106 | C1102-L1104 PolarHBondContact O-N 3.11Å; L1104-L1106 PolarHBondContact O-N 3.42Å | ||
| 1105 | T | 30 | Very low | 26.7 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 58% | 0.583 | 76% | 0.757 | S | S | * | * | trans | -66.7 | 128.1 | 169.7 | 46.1 | 0 | 0 | 0 | 0 | 109.2 | P1103 N1107 | P1103-T1105 PolarHBondContact O-N 2.84Å; P1103-T1105 VanDerWaalsContact O-N 3.11Å; T1105-N1107 VanDerWaalsContact C-N 3.33Å; T1105-N1107 PolarHBondContact O-N 2.85Å | ||
| 1106 | L | 26.1 | Very low | 26.7 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 78.4 | -163.1 | -158.9 | 155.4 | 0 | 0 | 0 | 111.9 | L1104 | L1104-L1106 PolarHBondContact O-N 3.42Š|
| 1107 | N | 26.6 | Very low | 26.5 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146.5 | -16.5 | 171.4 | -123.2 | 11.8 | 0 | 0 | 0 | 114.2 | T1105 | T1105-N1107 VanDerWaalsContact C-N 3.33Å; T1105-N1107 PolarHBondContact O-N 2.85Å |
| 1108 | E | 28.4 | Very low | 26.4 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -116 | 42.3 | -170.8 | -61.5 | -172.5 | 152 | 0 | 0 | 113.8 | ||
| 1109 | A | 23.8 | Very low | 26.2 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 75% | 0.75 | S | S | * | * | trans | -131.6 | 48.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1110 | N | 26.1 | Very low | 26.1 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 57% | 0.567 | 74% | 0.738 | S | S | * | * | trans | -159.8 | 57.4 | 178.8 | -115.8 | -23.8 | 0 | 0 | 0 | 113.9 | ||||
| 1111 | R | 25.7 | Very low | 26 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 91% | 0.913 | 74% | 0.741 | S | S | * | * | trans | -155.3 | 39.7 | 174.3 | -123.1 | 162.7 | -163.9 | -134.1 | -3.2 | 119.7 | ||||
| 1112 | L | 24.6 | Very low | 26 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 95% | 0.953 | 74% | 0.739 | S | S | * | * | trans | -133.6 | 80.5 | 156.4 | -80.7 | -179.2 | 0 | 0 | 0 | 110.6 | ||||
| 1113 | A | 26.3 | Very low | 26 | Very low | 56 Ų | 56 | 136.7 Ų | 136.7 | 46% | 0.463 | 74% | 0.735 | S | S | . | * | trans | -151.2 | 95.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1335 | A1113-Q1335 VanDerWaalsContact CB-OE1 3.26Š| ||
| 1114 | V | 27 | Very low | 25.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | 57.1 | 127.7 | 147.4 | -141.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1115 | T | 26.3 | Very low | 25.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -36.8 | 163.6 | 145.3 | 31.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1116 | P | 28.6 | Very low | 25.6 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | cis | -149.8 | -165 | 49.1 | 45.1 | -23.6 | 0 | 0 | 0 | 114.2 | ||||
| 1117 | P | 25.6 | Very low | 25.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | -122.9 | 156.9 | -10 | 38.3 | -24.4 | 0 | 0 | 0 | 114.8 | K1119 | P1117-K1119 PolarHBondContact O-N 3.11Š| ||
| 1118 | R | 22.7 | Very low | 25.8 | Very low | 187 Ų | 187 | 132.5 Ų | 132.5 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | trans | -66.8 | 128.7 | 150.3 | -74.5 | -177 | 176.6 | 175.7 | -1.5 | 108.5 | F1120 | R1118-F1120 HydrophobicContact CB-CD2 4.47Š| ||
| 1119 | K | 24.6 | Very low | 25.6 | Very low | 199 Ų | 199 | 128 Ų | 128 | 87% | 0.865 | 71% | 0.71 | S | S | * | * | trans | -103.8 | 107.6 | 144.8 | -82.6 | -166.8 | 173.7 | -174.4 | 0 | 108.2 | P1117 | P1117-K1119 PolarHBondContact O-N 3.11Š| ||
| 1120 | F | 23.1 | Very low | 25.9 | Very low | 154 Ų | 154 | 129 Ų | 129 | 68% | 0.675 | 71% | 0.712 | S | S | * | * | trans | -60.8 | 150.6 | 154.2 | -80.7 | -101.3 | 0 | 0 | 0 | 108.9 | R1118 | R1118-F1120 HydrophobicContact CB-CD2 4.47Š| ||
| 1121 | V | 23.7 | Very low | 25.8 | Very low | 120 Ų | 120 | 128.8 Ų | 128.8 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | -174.8 | 113 | 110.1 | 148.2 | 0 | 0 | 0 | 0 | 108 | |||||
| 1122 | N | 25.5 | Very low | 26.1 | Very low | 131 Ų | 131 | 122.1 Ų | 122.1 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | 52.6 | 158.4 | 144.6 | -46.4 | -2.7 | 0 | 0 | 0 | 118.6 | ||||
| 1123 | S | 25.7 | Very low | 26.1 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | cis | -146.7 | 148.2 | 17.4 | -33 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1124 | V | 24.8 | Very low | 26.1 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | 64.1 | 122.9 | 94.3 | 176.2 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1125 | S | 25.2 | Very low | 25.9 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | cis | -170.4 | -173 | -0.4 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1126 | D | 27.9 | Very low | 25.9 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | 82.2 | 91.6 | 144 | -60.4 | -34.2 | 0 | 0 | 0 | 122.4 | ||||
| 1127 | N | 28.2 | Very low | 25.7 | Very low | 130 Ų | 130 | 122.9 Ų | 122.9 | 70% | 0.695 | 69% | 0.688 | S | S | * | * | 108.4 | 133.1 | 100.7 | -76.8 | -23.9 | 0 | 0 | 0 | 122.1 | |||||
| 1128 | C | 27 | Very low | 25.7 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 63% | 0.628 | 69% | 0.691 | S | S | * | * | trans | 65.2 | 154.3 | 144.2 | -67.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1129 | C | 26.1 | Very low | 25.9 | Very low | 89 Ų | 89 | 125.8 Ų | 125.8 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | cis | -162.7 | 174.4 | -37 | -118.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1130 | S | 29.5 | Very low | 26.3 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 73% | 0.734 | 68% | 0.682 | S | S | * | * | trans | 70.1 | 127.3 | 160.1 | -52.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1131 | S | 24.3 | Very low | 26.5 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | trans | -101.7 | -156.7 | 160.7 | 54.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1132 | P | 30.7 | Very low | 26.8 | Very low | 102 Ų | 102 | 120.1 Ų | 120.1 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | cis | -142.9 | -173 | -4.2 | 31.9 | -6.2 | 0 | 0 | 0 | 117 | ||||
| 1133 | T | 25.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 67% | 0.669 | 67% | 0.671 | S | S | * | * | trans | 70.9 | 130.9 | 141.7 | 37.4 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 1134 | E | 25.8 | Very low | 26.9 | Very low | 159 Ų | 159 | 121 Ų | 121 | 74% | 0.743 | 67% | 0.672 | S | S | * | * | 98.5 | 117.5 | 129.4 | -78.1 | 171 | -145 | 0 | 0 | 125 | |||||
| 1135 | L | 23.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 120 Ų | 120 | 70% | 0.696 | 67% | 0.671 | S | S | * | * | 44.9 | 137.3 | 127.1 | -60.9 | 169.4 | 0 | 0 | 0 | 120.7 | |||||
| 1136 | H | 25.5 | Very low | 27.1 | Very low | 150 Ų | 150 | 119.8 Ų | 119.8 | 69% | 0.694 | 68% | 0.682 | S | S | * | * | -173.5 | 126.2 | 53.4 | -126.8 | -66.1 | 0 | 0 | 0 | 115 | |||||
| 1137 | S | 25.1 | Very low | 27 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 54% | 0.538 | 69% | 0.691 | S | S | . | * | trans | 41.1 | 146.1 | 137.2 | 69.4 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 1138 | N | 25.3 | Very low | 26.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | trans | 105.5 | 103 | 135.8 | -71.5 | -32.3 | 0 | 0 | 0 | 124.4 | ||||
| 1139 | R | 28.4 | Very low | 26.7 | Very low | 215 Ų | 215 | 127.4 Ų | 127.4 | 81% | 0.811 | 69% | 0.693 | S | S | * | * | 50.7 | 161.4 | 109.8 | -79.7 | -166.6 | 165.1 | -160.3 | -1.8 | 122.3 | |||||
| 1140 | P | 32.7 | Very low | 26.6 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | cis | -151.3 | 178.8 | -39.9 | 45 | -26.8 | 0 | 0 | 0 | 117.4 | L1758 | P1140-L1758 HydrophobicContact CG-CD2 4.3Š| ||
| 1141 | M | 27.2 | Very low | 26.5 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 62% | 0.621 | 68% | 0.681 | S | S | * | * | trans | 59.1 | 139.5 | 148.5 | -73.7 | -171.1 | 83.7 | 0 | 0 | 124 | L1758 | M1141-L1758 HydrophobicContact CB-CD1 4.22Å; M1141-L1758 HydrophobicContact CB-CD2 3.66Å; M1141-L1758 HydrophobicContact CE-CD1 3.74Å; M1141-L1758 HydrophobicContact CG-CD2 4.2Å; M1141-L1758 HydrophobicContact SD-CD1 3.75Å; M1141-L1758 HydrophobicContact SD-CD2 3.76Å; M1141-L1758 HydrophobicContact SD-CG 3.97Å | ||
| 1142 | Y | 29.8 | Very low | 26.6 | Very low | 140 Ų | 140 | 127.8 Ų | 127.8 | 55% | 0.549 | 67% | 0.674 | S | S | . | * | -175.8 | 101.5 | 111.8 | -108.1 | -78.7 | 0 | 0 | 0 | 114.2 | L1758 | Y1142-L1758 HydrophobicContact CD1-CD1 3.96Å; Y1142-L1758 HydrophobicContact CD2-CD1 4.08Å; Y1142-L1758 HydrophobicContact CD2-CD2 4.44Å; Y1142-L1758 HydrophobicContact CE1-CD1 3.53Å; Y1142-L1758 HydrophobicContact CE2-CB 3.94Å; Y1142-L1758 HydrophobicContact CE2-CD1 3.67Å; Y1142-L1758 HydrophobicContact CE2-CD2 4.08Å; Y1142-L1758 HydrophobicContact CE2-CG 4.1Å; Y1142-L1758 HydrophobicContact CG-CD1 4.22Å; Y1142-L1758 WeakPolarHBondContact OH-CB 3.37Å | |||
| 1143 | N | 26.6 | Very low | 26.5 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | 51.7 | 161.4 | 122.6 | -150.7 | 30.8 | 0 | 0 | 0 | 125.2 | |||||
| 1144 | V | 27.3 | Very low | 26.8 | Very low | 120 Ų | 120 | 124 Ų | 124 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | trans | 104.6 | 122.9 | 156.1 | -168.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1145 | S | 24.7 | Very low | 27 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 63% | 0.632 | S | S | * | * | trans | -69.1 | 163.6 | -176.9 | 51.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1146 | G | 28.5 | Very low | 27.5 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | trans | -148.8 | 148.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1147 | Y | 24.8 | Very low | 27.6 | Very low | 211 Ų | 211 | 118 Ų | 118 | 83% | 0.827 | 62% | 0.622 | S | S | * | * | trans | -118 | 154.6 | -158.3 | -107.3 | -58.9 | 0 | 0 | 0 | 115.4 | ||||
| 1148 | Q | 24.5 | Very low | 27.8 | Very low | 145 Ų | 145 | 119.9 Ų | 119.9 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | trans | 94.1 | 132.7 | 131.4 | -90.5 | 169.1 | -25.3 | 0 | 0 | 126.1 | ||||
| 1149 | H | 26 | Very low | 28 | Very low | 147 Ų | 147 | 119.8 Ų | 119.8 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | 105.5 | 104.3 | 127.6 | -92 | -56.7 | 0 | 0 | 0 | 124.4 | |||||
| 1150 | S | 24.4 | Very low | 28.1 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 63% | 0.625 | S | S | * | * | trans | 61 | 135.2 | 136.2 | 18 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1151 | N | 26.3 | Very low | 27.8 | Very low | 93 Ų | 93 | 114.3 Ų | 114.3 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | cis | 124.7 | 170 | 32.8 | -94 | 13.5 | 0 | 0 | 0 | 106.9 | D1613 L1614 | N1151-D1613 CarbonylContact C-O 3.2Å; N1151-L1614 CarbonylContact C-O 2.99Å; N1151-L1614 VanDerWaalsContact O-CB 3.31Å; N1151-L1614 WeakPolarHBondContact O-CB 3.36Å | ||
| 1152 | F | 25.6 | Very low | 27.8 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 55% | 0.553 | 61% | 0.612 | S | S | * | * | cis | -179.6 | 101.7 | 8.7 | -122.4 | -18.2 | 0 | 0 | 0 | 113.4 | D1613 L1614 | F1152-D1613 VanDerWaalsContact CA-O 3.29Å; F1152-D1613 WeakPolarHBondContact CA-O 3.14Å; F1152-D1613 WeakPolarHBondContact CB-O 3.29Å; F1152-D1613 PolarHBondContact N-O 3.28Å; F1152-L1614 VanDerWaalsContact N-C 3.29Å; F1152-L1614 PolarHBondContact N-O 3.22Å | ||
| 1153 | N | 29.1 | Very low | 27.7 | Very low | 79 Ų | 79 | 109.3 Ų | 109.3 | 42% | 0.422 | 60% | 0.598 | S | S | . | * | cis | -174.2 | 169.8 | -6.5 | -114.9 | -106.3 | 0 | 0 | 0 | 112.5 | C1615 T2462 S2463 | N1153-C1615 CarbonylContact C-O 3.49Å; N1153-C1615 VanDerWaalsContact CA-O 3.27Å; N1153-C1615 WeakPolarHBondContact CA-O 3.2Å; N1153-T2462 CarbonylContact O-C 3.57Å; N1153-S2463 CarbonylContact C-O 3.4Å; N1153-S2463 WeakPolarHBondContact CA-O 3.09Å; N1153-S2463 PolarHBondContact N-O 2.74Å; N1153-S2463 CarbonylContact O-C 3.38Å; N1153-S2463 WeakPolarHBondContact O-CA 3.49Å; N1153-S2463 PolarHBondContact O-N 3.26Å; N1153-S2463 VanDerWaalsContact O-N 3.15Å | ||
| 1154 | H | 32.3 | Very low | 28.1 | Very low | 53 Ų | 53 | 106.4 Ų | 106.4 | 25% | 0.245 | 59% | 0.586 | C | S | . | * | trans | 98.6 | 148.2 | 154 | -51.7 | -58.9 | 0 | 0 | 0 | 123.3 | C1615 Y1949 H1950 | H1154-C1615 PolarHBondContact N-O 2.79Å; H1154-Y1949 AromaticContact CE1-CD1 3.31Å; H1154-Y1949 WeakPolarHBondContact CE1-CD1 3.07Å; H1154-Y1949 AromaticContact CE1-CE1 3.61Å; H1154-Y1949 AromaticContact CE1-CG 3.65Å; H1154-Y1949 AromaticContact ND1-CG 3.93Å; H1154-H1950 AromaticContact CG-CE1 3.97Å | ||
| 1155 | G | 30.2 | Very low | 28.2 | Very low | 51 Ų | 51 | 104.9 Ų | 104.9 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | trans | 158 | 131 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1156 | P | 32.7 | Very low | 28.5 | Very low | 73 Ų | 73 | 106.3 Ų | 106.3 | 47% | 0.474 | 57% | 0.57 | S | S | . | * | trans | -137.7 | -179.9 | -150.6 | 41.2 | -21.6 | 0 | 0 | 0 | 121.5 | D1948 | P1156-D1948 HydrophobicContact CB-CB 4.13Å; P1156-D1948 WeakPolarHBondContact CB-OD1 3.43Å | ||
| 1157 | R | 28.8 | Very low | 28.5 | Very low | 191 Ų | 191 | 110.6 Ų | 110.6 | 72% | 0.721 | 57% | 0.572 | S | S | * | * | trans | 86.7 | 128.7 | 151.5 | -80.1 | -176.9 | 180 | -175.8 | 0.1 | 128 | D1948 | R1157-D1948 VanDerWaalsContact CA-OD2 3.3Å; R1157-D1948 WeakPolarHBondContact CA-OD2 3.21Å; R1157-D1948 HydrophobicContact CG-CB 4.47Å; R1157-D1948 WeakPolarHBondContact CG-OD2 3.24Å; R1157-D1948 PolarHBondContact N-OD2 3.19Å | ||
| 1158 | V | 28.5 | Very low | 28.6 | Very low | 117 Ų | 117 | 105.9 Ų | 105.9 | 71% | 0.709 | 57% | 0.565 | S | S | * | * | 107.2 | 121.2 | 126.3 | 159.5 | 0 | 0 | 0 | 0 | 127 | |||||
| 1159 | N | 29.5 | Very low | 28.6 | Very low | 134 Ų | 134 | 107.9 Ų | 107.9 | 72% | 0.717 | 57% | 0.574 | S | S | * | * | trans | 65.5 | 111.3 | 144.5 | -66.8 | 4.4 | 0 | 0 | 0 | 131.4 | ||||
| 1160 | L | 30.1 | Very low | 28.5 | Very low | 137 Ų | 137 | 105 Ų | 105 | 72% | 0.717 | 58% | 0.576 | S | S | * | * | 63.2 | 141 | 110.5 | -73.7 | 160.8 | 0 | 0 | 0 | 130.7 | |||||
| 1161 | D | 26.3 | Very low | 28.5 | Very low | 52 Ų | 52 | 106.9 Ų | 106.9 | 28% | 0.278 | 58% | 0.584 | S | S | . | * | trans | 81.4 | 157.9 | 151.9 | -112.5 | 53.1 | 0 | 0 | 0 | 122.5 | S1263 V1264 I1265 | D1161-S1263 WeakPolarHBondContact OD1-CA 3.44Å; D1161-S1263 PolarHBondContact OD1-N 3.36Å; D1161-S1263 VanDerWaalsContact OD2-CA 3.31Å; D1161-S1263 WeakPolarHBondContact OD2-CA 3.26Å; D1161-S1263 PolarHBondContact OD2-N 3.21Å; D1161-V1264 WeakPolarHBondContact OD1-CA 3.01Å; D1161-V1264 PolarHBondContact OD1-N 3.25Å; D1161-I1265 WeakPolarHBondContact CA-O 2.99Å; D1161-I1265 PolarHBondContact N-O 2.91Å; D1161-I1265 CarbonylContact O-C 3.12Å; D1161-I1265 WeakPolarHBondContact O-CG2 3.23Å | ||
| 1162 | I | 27.3 | Very low | 28.4 | Very low | 124 Ų | 124 | 111.1 Ų | 111.1 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | cis | -144.3 | 146.5 | 8.5 | -41.6 | 166.9 | 0 | 0 | 0 | 112.8 | S1263 I1265 | I1162-S1263 WeakPolarHBondContact CG2-O 3.4Å; I1162-I1265 VanDerWaalsContact C-CB 3.47Å; I1162-I1265 VanDerWaalsContact N-CB 3.33Å; I1162-I1265 VanDerWaalsContact O-CB 3.24Å; I1162-I1265 WeakPolarHBondContact O-CB 3.44Å; I1162-I1265 WeakPolarHBondContact O-CD1 3.45Å; I1162-I1265 WeakPolarHBondContact O-CG2 3.42Å | ||
| 1163 | S | 28.8 | Very low | 28.3 | Very low | 37 Ų | 37 | 113.6 Ų | 113.6 | 26% | 0.259 | 60% | 0.604 | S | S | . | * | trans | -100.5 | -166 | -172.8 | 74 | 0 | 0 | 0 | 0 | 117.2 | E1627 | S1163-E1627 PolarHBondContact OG-OE2 2.86Š| ||
| 1164 | P | 35.3 | Very low | 28.1 | Very low | 70 Ų | 70 | 115.2 Ų | 115.2 | 46% | 0.455 | 61% | 0.609 | S | S | . | * | cis | -146.4 | 173.4 | -7.6 | 31.2 | -5 | 0 | 0 | 0 | 121.2 | C1628 L1629 | P1164-C1628 WeakPolarHBondContact CB-SG 3.47Å; P1164-L1629 HydrophobicContact CB-CD1 4.19Å; P1164-L1629 HydrophobicContact CG-CD1 3.9Å | ||
| 1165 | T | 28.6 | Very low | 28 | Very low | 87 Ų | 87 | 117 Ų | 117 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | trans | 148.7 | 168.7 | 139.5 | 65.1 | 0 | 0 | 0 | 0 | 123.5 | C1628 L1629 | T1165-C1628 WeakPolarHBondContact CA-SG 3.14Å; T1165-C1628 HydrophobicContact CG2-CB 4.1Å; T1165-C1628 PolarHBondContact N-SG 2.78Å; T1165-L1629 HydrophobicContact CG2-CB 4.15Å; T1165-L1629 HydrophobicContact CG2-CD1 4.28Å | ||
| 1166 | K | 31.1 | Very low | 28 | Very low | 140 Ų | 140 | 123.4 Ų | 123.4 | 61% | 0.609 | 64% | 0.636 | S | S | * | * | trans | -128.4 | 154.6 | -139.5 | -148.9 | -175.5 | -155.6 | 162.8 | 0 | 116.3 | C1628 | K1166-C1628 HydrophobicContact CB-CB 3.77Å; K1166-C1628 HydrophobicContact CD-CB 4.33Å; K1166-C1628 WeakPolarHBondContact CD-O 3.16Å; K1166-C1628 WeakPolarHBondContact CE-O 3.36Å; K1166-C1628 HydrophobicContact CG-CB 4.08Å; K1166-C1628 PolarHBondContact NZ-O 2.66Å | ||
| 1167 | I | 28.2 | Very low | 28.1 | Very low | 171 Ų | 171 | 126.7 Ų | 126.7 | 88% | 0.877 | 65% | 0.65 | S | S | * | * | trans | -170.2 | -172.5 | 149.5 | -105 | 159 | 0 | 0 | 0 | 114.3 | ||||
| 1168 | T | 27.3 | Very low | 28.4 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | trans | -118.1 | 160.8 | -151.1 | 49.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1169 | E | 25.1 | Very low | 28.7 | Very low | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 65% | 0.653 | S | S | * | * | trans | 77.3 | 145.9 | 148.2 | -83.6 | 177.1 | -178.7 | 0 | 0 | 122.8 | ||||
| 1170 | A | 23.9 | Very low | 28.8 | Very low | 86 Ų | 86 | 127.5 Ų | 127.5 | 71% | 0.711 | 66% | 0.656 | S | S | * | * | trans | 75.8 | 111.1 | 152.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 1171 | T | 23.8 | Very low | 29.1 | Very low | 125 Ų | 125 | 127.6 Ų | 127.6 | 77% | 0.767 | 65% | 0.653 | S | S | * | * | trans | 64.5 | 124 | 133 | 55.7 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1172 | F | 23.1 | Very low | 29.4 | Very low | 182 Ų | 182 | 131.6 Ų | 131.6 | 80% | 0.798 | 67% | 0.672 | S | S | * | * | trans | 86.3 | 116.8 | 131.9 | -92.6 | -117.8 | 0 | 0 | 0 | 123.2 | ||||
| 1173 | R | 24.4 | Very low | 29.8 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 67% | 0.672 | 68% | 0.682 | S | S | * | * | 86.3 | 121.8 | 129.8 | -86.9 | -167.6 | 157.4 | -162 | -31.3 | 124.8 | |||||
| 1174 | E | 25.2 | Very low | 29.9 | Very low | 113 Ų | 113 | 139 Ų | 139 | 53% | 0.528 | 70% | 0.701 | S | S | . | * | 64.7 | 103.5 | 125.8 | -72 | 158.4 | -159.1 | 0 | 0 | 122.2 | |||||
| 1175 | E | 29.9 | Very low | 29.8 | Very low | 90 Ų | 90 | 141 Ų | 141 | 42% | 0.421 | 71% | 0.708 | S | S | . | * | 57.1 | 133.2 | 105.2 | 178.4 | -177.5 | -174.3 | 0 | 0 | 122.2 | Y2128 | E1175-Y2128 HydrophobicContact CB-CE1 4.23Å; E1175-Y2128 VanDerWaalsContact CD-CD1 3.46Å; E1175-Y2128 VanDerWaalsContact CD-CZ 3.42Å; E1175-Y2128 HydrophobicContact CG-CE1 3.91Å; E1175-Y2128 HydrophobicContact CG-CE2 4.41Å; E1175-Y2128 WeakPolarHBondContact OE1-CD1 3.46Å; E1175-Y2128 WeakPolarHBondContact OE1-CD2 3.15Å; E1175-Y2128 WeakPolarHBondContact OE2-CD1 3.14Å; E1175-Y2128 WeakPolarHBondContact OE2-CE1 3.49Å | |||
| 1176 | M | 30.2 | Very low | 30 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 92% | 0.921 | 71% | 0.706 | S | S | * | * | -171.8 | 177.6 | 120.6 | -101.4 | -160.6 | 178.7 | 0 | 0 | 116.2 | |||||
| 1177 | D | 34.1 | Very low | 30.1 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 69% | 0.69 | S | S | * | * | trans | -132 | 169.1 | -143.8 | -172.2 | 21.9 | 0 | 0 | 0 | 116 | ||||
| 1178 | G | 35.5 | Very low | 30.4 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -125.4 | -28.1 | -155.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1179 | K | 34.2 | Very low | 30.7 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 80% | 0.804 | 65% | 0.651 | S | S | * | * | trans | 72.3 | 151.7 | 155.7 | -117.1 | 159.2 | -168.7 | 154.1 | 0 | 126.4 | ||||
| 1180 | R | 32.8 | Very low | 31.1 | Very low | 207 Ų | 207 | 124.3 Ų | 124.3 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | trans | 90 | 138 | 159.6 | -65.4 | -176.6 | -171.1 | -86.4 | 3 | 119.5 | ||||
| 1181 | Q | 35.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | cis | -163.2 | -162.7 | -3.4 | -142.5 | 157.2 | -89.1 | 0 | 0 | 109.4 | ||||
| 1182 | I | 32.3 | Very low | 31.6 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | cis | -171.2 | 167.6 | 4.6 | -169.8 | 166.2 | 0 | 0 | 0 | 113.1 | ||||
| 1183 | I | 35.4 | Very low | 31.9 | Very low | 164 Ų | 164 | 123.1 Ų | 123.1 | 84% | 0.841 | 61% | 0.613 | S | S | * | * | trans | 106.8 | 172.8 | 150.3 | -116.6 | 169 | 0 | 0 | 0 | 124.1 | ||||
| 1184 | K | 32.7 | Very low | 32 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 67% | 0.665 | 62% | 0.617 | S | S | * | * | trans | -163.3 | 167.9 | -158.7 | -166.7 | -162.6 | 170.2 | -61.4 | 0 | 115.4 | ||||
| 1185 | N | 32.8 | Very low | 32.1 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 60% | 0.599 | 63% | 0.629 | S | S | * | * | trans | 117.8 | 156.5 | 153.1 | -78.3 | 7.5 | 0 | 0 | 0 | 120 | ||||
| 1186 | T | 32.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 132 Ų | 132 | 49% | 0.485 | 65% | 0.651 | S | S | . | * | cis | -169.4 | 147.3 | -18.1 | 30.8 | 0 | 0 | 0 | 0 | 117.4 | D1288 | T1186-D1288 PolarHBondContact N-OD2 2.63Š| ||
| 1187 | L | 32.4 | Very low | 31.6 | Very low | 50 Ų | 50 | 127.8 Ų | 127.8 | 26% | 0.262 | 64% | 0.64 | S | S | . | * | -142.6 | 148.7 | -96 | -50.4 | 106.4 | 0 | 0 | 0 | 113.4 | T1289 M1290 | L1187-T1289 CarbonylContact C-O 3.17Å; L1187-T1289 WeakPolarHBondContact CA-O 3.35Å; L1187-T1289 WeakPolarHBondContact CB-O 3.41Å; L1187-T1289 WeakPolarHBondContact CD2-OG1 3.48Å; L1187-T1289 WeakPolarHBondContact CG-OG1 3.3Å; L1187-M1290 HydrophobicContact CB-CB 3.62Å; L1187-M1290 HydrophobicContact CB-CE 4.07Å; L1187-M1290 HydrophobicContact CB-CG 3.41Å; L1187-M1290 VanDerWaalsContact CB-CG 3.41Å; L1187-M1290 HydrophobicContact CB-SD 3.59Å; L1187-M1290 VanDerWaalsContact CB-SD 3.59Å; L1187-M1290 HydrophobicContact CD1-CE 4.28Å; L1187-M1290 HydrophobicContact CD1-SD 3.68Å; L1187-M1290 HydrophobicContact CD2-CB 3.58Å; L1187-M1290 HydrophobicContact CD2-CG 4.11Å; L1187-M1290 HydrophobicContact CD2-SD 3.85Å; L1187-M1290 HydrophobicContact CG-CB 4.09Å; L1187-M1290 HydrophobicContact CG-CG 4.17Å; L1187-M1290 HydrophobicContact CG-SD 3.86Å | |||
| 1188 | N | 34.2 | Very low | 31.2 | Very low | 79 Ų | 79 | 130.4 Ų | 130.4 | 42% | 0.422 | 64% | 0.639 | S | S | . | * | 149.2 | 126.9 | 127.9 | -139.9 | 38.6 | 0 | 0 | 0 | 126.6 | T1289 M1290 E1291 E1773 | N1188-T1289 WeakPolarHBondContact CA-O 3.43Å; N1188-T1289 PolarHBondContact N-O 2.97Å; N1188-M1290 HydrophobicContact CB-CG 4.05Å; N1188-M1290 WeakPolarHBondContact OD1-CA 3.25Å; N1188-M1290 WeakPolarHBondContact OD1-CG 3.44Å; N1188-E1291 VanDerWaalsContact CG-O 3.3Å; N1188-E1291 PolarHBondContact ND2-O 3.06Å; N1188-E1291 PolarHBondContact OD1-N 3.02Å; N1188-E1291 PolarHBondContact OD1-O 3.41Å; N1188-E1773 VanDerWaalsContact C-OE1 3.28Å; N1188-E1773 WeakPolarHBondContact CA-OE1 3.28Å; N1188-E1773 PolarHBondContact OD1-OE2 3.24Å | |||
| 1189 | D | 34.9 | Very low | 31.1 | Very low | 62 Ų | 62 | 133.6 Ų | 133.6 | 33% | 0.332 | 65% | 0.645 | S | S | . | * | trans | 103.7 | 131.9 | 131.6 | -121.1 | -8.7 | 0 | 0 | 0 | 132.2 | N1292 E1773 | D1189-N1292 PolarHBondContact OD1-N 3.48Å; D1189-N1292 PolarHBondContact OD2-N 2.92Å; D1189-E1773 WeakPolarHBondContact CA-OE2 3.38Å; D1189-E1773 PolarHBondContact N-OE1 2.91Å; D1189-E1773 PolarHBondContact N-OE2 3.29Å | ||
| 1190 | N | 33.4 | Very low | 30.6 | Very low | 76 Ų | 76 | 130 Ų | 130 | 41% | 0.406 | 64% | 0.641 | S | S | . | * | trans | 77.4 | 145.9 | 131.4 | -109.5 | -42.1 | 0 | 0 | 0 | 132.8 | N1292 | N1190-N1292 PolarHBondContact ND2-O 3.1Š| ||
| 1191 | M | 28.8 | Very low | 30.1 | Very low | 145 Ų | 145 | 126 Ų | 126 | 71% | 0.714 | 64% | 0.64 | S | S | * | * | trans | 64.2 | 157.3 | 147 | -79.8 | -136.8 | 168.8 | 0 | 0 | 125.1 | ||||
| 1192 | C | 29.4 | Very low | 30 | Very low | 95 Ų | 95 | 124.1 Ų | 124.1 | 64% | 0.642 | 64% | 0.638 | S | S | * | * | cis | -172 | 157.1 | -34.9 | -137.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1193 | Q | 28.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 59% | 0.593 | 64% | 0.641 | S | S | * | * | trans | 81.7 | 138.1 | 145.5 | -83.1 | 179.5 | 52 | 0 | 0 | 126.7 | ||||
| 1194 | R | 26.7 | Very low | 29.1 | Very low | 201 Ų | 201 | 119.6 Ų | 119.6 | 76% | 0.758 | 63% | 0.626 | S | S | * | * | trans | 70.6 | 111.3 | 148.8 | -69.2 | 168.2 | -175.2 | 166.5 | 8.5 | 119.4 | ||||
| 1195 | H | 26.6 | Very low | 28.6 | Very low | 165 Ų | 165 | 117.3 Ų | 117.3 | 76% | 0.764 | 63% | 0.629 | S | S | * | * | 73.8 | 112.2 | 71.3 | -78.9 | -75.8 | 0 | 0 | 0 | 114.8 | |||||
| 1196 | F | 25.8 | Very low | 28.6 | Very low | 201 Ų | 201 | 119.7 Ų | 119.7 | 88% | 0.882 | 63% | 0.63 | S | S | * | * | -171.1 | 157.7 | 102.6 | -104.1 | -70.6 | 0 | 0 | 0 | 112.4 | |||||
| 1197 | S | 24 | Very low | 28.2 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 69% | 0.692 | 64% | 0.644 | S | S | * | * | trans | -123.6 | 135.9 | -171.9 | 57.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1198 | R | 26 | Very low | 27.9 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 75% | 0.747 | 66% | 0.661 | S | S | * | * | trans | -168.2 | 141.9 | 153.5 | -109.5 | 160.4 | -163.3 | -134.4 | 4.2 | 112.9 | ||||
| 1199 | T | 33.3 | Very low | 27.4 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 82% | 0.822 | 68% | 0.679 | S | S | * | * | trans | -101.1 | 148.9 | 169.5 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1200 | P | 23.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 131.2 Ų | 131.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | trans | -129.3 | 125.8 | 133.7 | 8.6 | 13.3 | 0 | 0 | 0 | 110.2 | ||||
| 1201 | T | 23.3 | Very low | 26.2 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 77% | 0.767 | 71% | 0.705 | S | S | * | * | 52.8 | 115.2 | 87.7 | 64.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 1202 | T | 33.3 | Very low | 26 | Very low | 99 Ų | 99 | 136 Ų | 136 | 61% | 0.607 | 70% | 0.698 | S | S | * | * | trans | -37.1 | 138.8 | 170.8 | 54.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 1203 | P | 24.7 | Very low | 25.6 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | -102.7 | 151.8 | 104.1 | -17.2 | 34 | 0 | 0 | 0 | 111.2 | |||||
| 1204 | V | 24.3 | Very low | 25.4 | Very low | 87 Ų | 87 | 133 Ų | 133 | 53% | 0.527 | 68% | 0.681 | S | S | . | * | cis | 64.4 | 98.3 | 45.2 | -170.7 | 0 | 0 | 0 | 0 | 112.9 | F1988 | V1204-F1988 HydrophobicContact CB-CZ 3.98Å; V1204-F1988 HydrophobicContact CG1-CE1 4.07Å; V1204-F1988 HydrophobicContact CG1-CZ 3.98Å; V1204-F1988 HydrophobicContact CG2-CE1 4.27Å; V1204-F1988 HydrophobicContact CG2-CZ 3.79Å | ||
| 1205 | S | 22.9 | Very low | 25.2 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | trans | 174 | 130.9 | 132.2 | -78.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1206 | R | 32.6 | Very low | 25.1 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 61% | 0.611 | 66% | 0.658 | S | S | * | * | trans | -66.4 | 149 | 157.3 | -66.7 | -177 | -174.8 | 165 | 4.4 | 108.4 | F1988 | R1206-F1988 PolarHBondContact NH2-O 3.06Å; R1206-F1988 VanDerWaalsContact NH2-O 3.09Å | ||
| 1207 | P | 24.6 | Very low | 25.1 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 79% | 0.786 | 65% | 0.649 | S | S | * | * | -114.3 | 129.4 | 93.5 | 33.9 | -33.8 | 0 | 0 | 0 | 109.6 | |||||
| 1208 | N | 25.7 | Very low | 25.1 | Very low | 116 Ų | 116 | 118.4 Ų | 118.4 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | 40.1 | 98.6 | 64.6 | -81.3 | 9.5 | 0 | 0 | 0 | 111.8 | |||||
| 1209 | L | 22.7 | Very low | 25 | Very low | 152 Ų | 152 | 113 Ų | 113 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | -163.8 | 149.7 | 125.1 | -105 | 157 | 0 | 0 | 0 | 111.4 | |||||
| 1210 | L | 22.3 | Very low | 24.7 | Very low | 124 Ų | 124 | 111 Ų | 111 | 65% | 0.649 | 61% | 0.605 | S | S | * | * | trans | -45.8 | 153.9 | 158.2 | -64 | 92.7 | 0 | 0 | 0 | 109.9 | ||||
| 1211 | W | 21.6 | Very low | 24.9 | Very low | 166 Ų | 166 | 109.3 Ų | 109.3 | 63% | 0.629 | 59% | 0.588 | S | S | * | * | -166.6 | 166.8 | 61.9 | -91 | 99.1 | 0 | 0 | 0 | 114.5 | E1213 | W1211-E1213 VanDerWaalsContact CE3-OE2 3.32Š| |||
| 1212 | R | 24.5 | Very low | 25.1 | Very low | 155 Ų | 155 | 105.6 Ų | 105.6 | 59% | 0.585 | 57% | 0.574 | S | S | * | * | trans | 73.1 | 105.2 | 145.5 | -86.4 | 152.1 | -148.5 | -153.2 | 1.4 | 118.4 | Q1083 A1214 | Q1083-R1212 PolarHBondContact NE2-O 2.83Å; R1212-A1214 PolarHBondContact O-N 3.31Å | ||
| 1213 | E | 21.6 | Very low | 24.6 | Very low | 119 Ų | 119 | 105.1 Ų | 105.1 | 56% | 0.556 | 58% | 0.575 | S | S | * | * | 31.8 | 75.4 | 72.1 | -37.9 | 146.9 | 112.3 | 0 | 0 | 113.3 | W1211 | W1211-E1213 VanDerWaalsContact CE3-OE2 3.32Š| |||
| 1214 | A | 22.9 | Very low | 24.6 | Very low | 39 Ų | 39 | 102.9 Ų | 102.9 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | trans | -145.1 | 97.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | S344 Q1083 R1212 | S344-A1214 WeakPolarHBondContact OG-CB 3.36Å; Q1083-A1214 PolarHBondContact OE1-O 3.13Å; R1212-A1214 PolarHBondContact O-N 3.31Å | ||
| 1215 | S | 22.6 | Very low | 24.9 | Very low | 65 Ų | 65 | 107.8 Ų | 107.8 | 46% | 0.455 | 57% | 0.571 | S | S | . | * | 22.1 | 132.1 | 95.7 | -30.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1216 | D | 24.7 | Very low | 24.9 | Very low | 106 Ų | 106 | 111.1 Ų | 111.1 | 57% | 0.567 | 58% | 0.575 | S | S | * | * | cis | -146.6 | 168.2 | 42.8 | -104.4 | -59.8 | 0 | 0 | 0 | 115.6 | ||||
| 1217 | Q | 24.8 | Very low | 24.9 | Very low | 150 Ų | 150 | 106.9 Ų | 106.9 | 70% | 0.701 | 56% | 0.563 | S | S | * | * | -6.3 | 140.4 | 129.8 | -56.4 | 171.4 | -18.6 | 0 | 0 | 112.9 | |||||
| 1218 | S | 24 | Very low | 25 | Very low | 39 Ų | 39 | 107.1 Ų | 107.1 | 27% | 0.273 | 57% | 0.565 | S | S | . | * | -165.4 | 152 | 59.3 | 58.3 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 1219 | C | 25.3 | Very low | 25.1 | Very low | 84 Ų | 84 | 104.6 Ų | 104.6 | 57% | 0.568 | 55% | 0.549 | S | S | * | . | 52.9 | 92.2 | 127 | -61.3 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 1220 | D | 26.3 | Very low | 25.5 | Very low | 94 Ų | 94 | 101.6 Ų | 101.6 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | 101.5 | 153.6 | 88.5 | -89.3 | -48 | 0 | 0 | 0 | 122.1 | |||||
| 1221 | H | 28.6 | Very low | 25.7 | Very low | 72 Ų | 72 | 101.2 Ų | 101.2 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | trans | 47.1 | -141.5 | 152.9 | -55 | -10.8 | 0 | 0 | 0 | 112.2 | R338 P635 S1223 | R338-H1221 PolarHBondContact NH1-O 2.96Å; P635-H1221 VanDerWaalsContact CB-CE1 3.4Å; P635-H1221 WeakPolarHBondContact CB-CE1 2.99Å; P635-H1221 WeakPolarHBondContact CB-NE2 3.43Å; H1221-S1223 PolarHBondContact O-N 2.94Å; H1221-S1223 VanDerWaalsContact O-N 3.16Å | ||
| 1222 | G | 26.5 | Very low | 26.1 | Very low | 46 Ų | 46 | 103.9 Ų | 103.9 | 47% | 0.474 | 55% | 0.549 | S | S | . | . | trans | 54.9 | 36.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | R338 | R338-G1222 VanDerWaalsContact NH1-C 3.34Å; R338-G1222 PolarHBondContact NH1-O 3.38Å; R338-G1222 PolarHBondContact NH2-O 3.32Å | ||
| 1223 | S | 24 | Very low | 26.6 | Very low | 90 Ų | 90 | 103.6 Ų | 103.6 | 63% | 0.629 | 55% | 0.554 | S | S | * | * | trans | -42.4 | 138.5 | 153.8 | 163.6 | 0 | 0 | 0 | 0 | 108.1 | H1221 | H1221-S1223 PolarHBondContact O-N 2.94Å; H1221-S1223 VanDerWaalsContact O-N 3.16Å | ||
| 1224 | S | 24.1 | Very low | 27.1 | Very low | 69 Ų | 69 | 104.6 Ų | 104.6 | 48% | 0.483 | 56% | 0.559 | S | S | . | * | S | Bend | trans | 68.2 | 167.4 | 174.5 | -47.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1225 | R | 29.6 | Very low | 27.8 | Very low | 191 Ų | 191 | 108.8 Ų | 108.8 | 72% | 0.721 | 58% | 0.576 | S | S | * | * | 40.6 | 111.8 | 106.5 | -51.5 | 165.2 | -161.6 | 158.8 | 0.5 | 110.5 | I1227 | R1225-I1227 HydrophobicContact CB-CD1 3.9Å; R1225-I1227 HydrophobicContact CB-CG1 4.38Å; R1225-I1227 HydrophobicContact CG-CD1 3.71Å; R1225-I1227 HydrophobicContact CG-CG1 4.36Å | |||
| 1226 | E | 23.3 | Very low | 28.5 | Very low | 174 Ų | 174 | 113.6 Ų | 113.6 | 81% | 0.813 | 59% | 0.591 | S | S | * | * | -123.9 | 140.1 | 52.4 | -76.4 | 162.3 | 168 | 0 | 0 | 117.5 | |||||
| 1227 | I | 34.1 | Very low | 29.1 | Very low | 72 Ų | 72 | 113 Ų | 113 | 37% | 0.369 | 60% | 0.595 | S | S | . | * | cis | 88.5 | 133.7 | 37.1 | -93.7 | 173.8 | 0 | 0 | 0 | 113 | R1225 H1229 | R1225-I1227 HydrophobicContact CB-CD1 3.9Å; R1225-I1227 HydrophobicContact CB-CG1 4.38Å; R1225-I1227 HydrophobicContact CG-CD1 3.71Å; R1225-I1227 HydrophobicContact CG-CG1 4.36Å; I1227-H1229 HydrophobicContact CG2-CB 3.32Å; I1227-H1229 VanDerWaalsContact CG2-N 3.35Å | ||
| 1228 | P | 25.2 | Very low | 29.6 | Very low | 126 Ų | 126 | 112 Ų | 112 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | -84.8 | 142.8 | 88.3 | -30.3 | 39 | 0 | 0 | 0 | 115.8 | |||||
| 1229 | H | 27.6 | Very low | 30.1 | Very low | 64 Ų | 64 | 116.4 Ų | 116.4 | 30% | 0.296 | 61% | 0.614 | S | S | . | * | cis | 12 | 113.3 | 10.1 | -48.1 | -33.7 | 0 | 0 | 0 | 116.5 | I1227 | I1227-H1229 HydrophobicContact CG2-CB 3.32Å; I1227-H1229 VanDerWaalsContact CG2-N 3.35Å | ||
| 1230 | S | 30.9 | Very low | 30.5 | Very low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 61% | 0.614 | S | S | * | * | -173.6 | 137.1 | 93.4 | -90.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1231 | L | 28 | Very low | 30.7 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | 48.9 | 147.8 | 129.5 | -64 | 160 | 0 | 0 | 0 | 119.8 | L628 | L628-L1231 HydrophobicContact CD2-CD2 3.52Å; L628-L1231 HydrophobicContact CD2-CG 4Å | |||
| 1232 | R | 29.8 | Very low | 30.8 | Very low | 222 Ų | 222 | 126.1 Ų | 126.1 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | trans | 74.2 | 126.3 | 174.2 | -59.4 | -179.2 | 175.3 | 173.2 | -2.6 | 112.7 | ||||
| 1233 | Q | 34.7 | Very low | 30.9 | Very low | 149 Ų | 149 | 129 Ų | 129 | 70% | 0.696 | 65% | 0.653 | S | S | * | * | cis | -134.5 | 142.8 | -1.6 | -108.1 | 153.9 | -58.2 | 0 | 0 | 108.1 | ||||
| 1234 | Q | 31.9 | Very low | 31.2 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 65% | 0.65 | 66% | 0.658 | S | S | * | * | 44.6 | 122 | 91.7 | -68.2 | -171.8 | -107.3 | 0 | 0 | 112.3 | |||||
| 1235 | D | 37.1 | Very low | 31.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 68% | 0.679 | 67% | 0.665 | S | S | * | * | trans | 66.3 | 138.7 | 146.2 | -43.1 | -23.6 | 0 | 0 | 0 | 114.6 | ||||
| 1236 | E | 38 | Very low | 31.6 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 78% | 0.78 | 65% | 0.653 | S | S | * | * | cis | -163.6 | 166.2 | 8.1 | -130.1 | 171.9 | -167.1 | 0 | 0 | 109.3 | ||||
| 1237 | C | 37.8 | Very low | 31.8 | Very low | 94 Ų | 94 | 123.4 Ų | 123.4 | 64% | 0.635 | 64% | 0.636 | S | S | * | * | trans | 45.9 | 133.8 | 142.1 | -72.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 1238 | N | 34.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 68% | 0.679 | 65% | 0.648 | S | S | * | * | trans | 83.9 | 111.8 | 130.9 | -67.1 | -13.3 | 0 | 0 | 0 | 122.4 | ||||
| 1239 | N | 34.5 | Very low | 31.6 | Very low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | 76.9 | 156.1 | 117.5 | -61.1 | -15.6 | 0 | 0 | 0 | 122.2 | |||||
| 1240 | D | 33.8 | Very low | 31.4 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 57% | 0.567 | 66% | 0.661 | S | S | * | * | trans | 72.4 | 95.7 | 144.9 | -82.7 | 10.3 | 0 | 0 | 0 | 120.6 | ||||
| 1241 | R | 31.4 | Very low | 31.1 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 69% | 0.694 | 65% | 0.645 | S | S | * | * | 79.4 | 154.4 | 111.4 | -76.1 | 173.6 | 172.4 | 135.7 | -5.3 | 118.2 | |||||
| 1242 | Q | 30.3 | Very low | 30.9 | Very low | 164 Ų | 164 | 119.4 Ų | 119.4 | 77% | 0.766 | 64% | 0.635 | S | S | * | * | trans | 66.9 | 130.6 | 146.9 | -76.5 | 157.9 | -33.8 | 0 | 0 | 118.3 | ||||
| 1243 | T | 29.5 | Very low | 30.7 | Very low | 106 Ų | 106 | 112.8 Ų | 112.8 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | cis | -179.7 | 159.8 | -22.5 | 11.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1244 | N | 28.7 | Very low | 30.4 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 74% | 0.738 | 62% | 0.623 | S | S | * | * | trans | 73.5 | 130.1 | 147.4 | -67.4 | 2.8 | 0 | 0 | 0 | 121.1 | ||||
| 1245 | V | 35.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 109.9 Ų | 109.9 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | trans | 80 | 121.4 | 132.3 | 170.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1246 | D | 28 | Very low | 29.1 | Very low | 88 Ų | 88 | 109.8 Ų | 109.8 | 47% | 0.471 | 63% | 0.627 | S | S | . | * | cis | -152 | -123.5 | -9.7 | -112.3 | -19.4 | 0 | 0 | 0 | 115.7 | P1726 | D1246-P1726 CarbonylContact C-O 3.46Š| ||
| 1247 | V | 27.3 | Very low | 28.4 | Very low | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | trans | -159.7 | 152.1 | -136.9 | 154.7 | 0 | 0 | 0 | 0 | 115.2 | P1726 S1727 | V1247-P1726 PolarHBondContact N-O 3.2Å; V1247-P1726 CarbonylContact O-C 2.97Å; V1247-P1726 VanDerWaalsContact O-CA 3.26Å; V1247-P1726 WeakPolarHBondContact O-CA 3.17Å; V1247-S1727 CarbonylContact C-O 3.58Å; V1247-S1727 PolarHBondContact N-O 3.04Å; V1247-S1727 PolarHBondContact O-N 2.99Å; V1247-S1727 VanDerWaalsContact O-N 3.13Å | ||
| 1248 | N | 23.9 | Very low | 27.8 | Very low | 114 Ų | 114 | 107.3 Ų | 107.3 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | trans | 117 | 134.9 | 156.9 | -74.6 | -37.2 | 0 | 0 | 0 | 120.2 | T1724 | N1248-T1724 PolarHBondContact ND2-O 2.89Š| ||
| 1249 | G | 30.1 | Very low | 27.3 | Very low | 75 Ų | 75 | 109.6 Ų | 109.6 | 77% | 0.773 | 61% | 0.612 | S | S | * | * | trans | 83.3 | 151.8 | 157.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1250 | S | 24.6 | Very low | 26.8 | Very low | 89 Ų | 89 | 109 Ų | 109 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | cis | -170.8 | 172.3 | 21.5 | 105.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1251 | V | 24 | Very low | 26.4 | Very low | 48 Ų | 48 | 107.4 Ų | 107.4 | 29% | 0.291 | 61% | 0.613 | S | S | . | * | cis | -161.6 | -160.9 | -32 | 113 | 0 | 0 | 0 | 0 | 118.4 | N415 I417 | N415-V1251 VanDerWaalsContact CA-CG2 3.45Å; N415-V1251 HydrophobicContact CB-CG1 4.47Å; N415-V1251 HydrophobicContact CB-CG2 3.81Å; N415-V1251 WeakPolarHBondContact OD1-CB 3.25Å; N415-V1251 WeakPolarHBondContact OD1-CG1 3.35Å; N415-V1251 VanDerWaalsContact OD1-CG2 3.31Å; N415-V1251 WeakPolarHBondContact OD1-CG2 3.1Å; I417-V1251 HydrophobicContact CB-CG2 4.28Å; I417-V1251 WeakPolarHBondContact CG1-O 3.36Å | ||
| 1252 | S | 24.6 | Very low | 26.1 | Very low | 57 Ų | 57 | 104.3 Ų | 104.3 | 40% | 0.399 | 62% | 0.619 | S | S | . | * | trans | -55.6 | -179.6 | -166.5 | 64.7 | 0 | 0 | 0 | 0 | 118.2 | K416 | K416-S1252 WeakPolarHBondContact O-CA 3.47Å; K416-S1252 WeakPolarHBondContact O-CB 3.37Å | ||
| 1253 | S | 25.6 | Very low | 25.8 | Very low | 84 Ų | 84 | 99 Ų | 99 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | cis | 68.9 | 155.8 | 25 | -66.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1254 | P | 26.8 | Very low | 25.5 | Very low | 107 Ų | 107 | 97.1 Ų | 97.1 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | cis | -135.3 | -173.2 | -36.8 | 34.9 | -14.6 | 0 | 0 | 0 | 113.6 | ||||
| 1255 | T | 21.8 | Very low | 25.3 | Very low | 120 Ų | 120 | 93.2 Ų | 93.2 | 74% | 0.736 | 57% | 0.568 | S | S | * | * | trans | 47.7 | 134.4 | 148.9 | 46.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 1256 | N | 21.3 | Very low | 24.7 | Very low | 125 Ų | 125 | 92 Ų | 92 | 67% | 0.668 | 56% | 0.557 | S | S | * | * | trans | 13.8 | 128.3 | 133 | -62.8 | -3.3 | 0 | 0 | 0 | 118.4 | ||||
| 1257 | N | 23.2 | Very low | 24.5 | Very low | 129 Ų | 129 | 93.1 Ų | 93.1 | 69% | 0.69 | 57% | 0.568 | S | S | * | * | -167.5 | 129.6 | 87.8 | -101.8 | -45.1 | 0 | 0 | 0 | 115.7 | |||||
| 1258 | N | 23.7 | Very low | 24.4 | Very low | 80 Ų | 80 | 98 Ų | 98 | 43% | 0.428 | 58% | 0.578 | S | S | . | * | trans | 72.8 | 145.5 | 133.8 | -82.8 | -39 | 0 | 0 | 0 | 123.1 | K1054 | K1054-N1258 WeakPolarHBondContact CB-OD1 3.31Š| ||
| 1259 | R | 25.2 | Very low | 24.4 | Very low | 174 Ų | 174 | 96 Ų | 96 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | trans | 76.3 | 113.4 | 149.9 | -72.8 | -175.1 | 139.3 | 137.8 | -4.5 | 117.2 | ||||
| 1260 | E | 23.6 | Very low | 24.4 | Very low | 122 Ų | 122 | 94.9 Ų | 94.9 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | 79 | 121.6 | 91.3 | -72.6 | 157.8 | -162.6 | 0 | 0 | 110.6 | K1054 | K1054-E1260 IonicContact NZ-OE1 2.71Å; K1054-E1260 PolarHBondContact NZ-OE1 3.37Å | |||
| 1261 | G | 25.7 | Very low | 24.6 | Very low | 72 Ų | 72 | 92.8 Ų | 92.8 | 74% | 0.742 | 54% | 0.535 | S | S | * | . | cis | 161.2 | 168.9 | -0.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1262 | S | 24.4 | Very low | 24.8 | Very low | 118 Ų | 118 | 94.3 Ų | 94.3 | 83% | 0.825 | 54% | 0.542 | S | S | * | . | trans | 73.1 | 167 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1263 | S | 23.9 | Very low | 25.1 | Very low | 53 Ų | 53 | 96.5 Ų | 96.5 | 37% | 0.371 | 55% | 0.546 | S | S | . | . | 176 | 137.4 | -100.4 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | D1161 I1162 | D1161-S1263 WeakPolarHBondContact OD1-CA 3.44Å; D1161-S1263 PolarHBondContact OD1-N 3.36Å; D1161-S1263 VanDerWaalsContact OD2-CA 3.31Å; D1161-S1263 WeakPolarHBondContact OD2-CA 3.26Å; D1161-S1263 PolarHBondContact OD2-N 3.21Å; I1162-S1263 WeakPolarHBondContact CG2-O 3.4Å | |||
| 1264 | V | 23 | Very low | 25.1 | Very low | 66 Ų | 66 | 98.2 Ų | 98.2 | 40% | 0.4 | 55% | 0.548 | S | S | . | . | cis | -164.8 | 26.1 | -2.5 | 64.9 | 0 | 0 | 0 | 0 | 113.9 | D1161 K1626 | D1161-V1264 WeakPolarHBondContact OD1-CA 3.01Å; D1161-V1264 PolarHBondContact OD1-N 3.25Å; V1264-K1626 WeakPolarHBondContact O-CE 3.06Å; V1264-K1626 PolarHBondContact O-NZ 2.79Å | ||
| 1265 | I | 24.2 | Very low | 24.9 | Very low | 57 Ų | 57 | 101.7 Ų | 101.7 | 29% | 0.292 | 55% | 0.552 | S | S | . | * | trans | -88.8 | -165.8 | -176.9 | -90.3 | -165.7 | 0 | 0 | 0 | 112.2 | D1161 I1162 K1626 | D1161-I1265 WeakPolarHBondContact CA-O 2.99Å; D1161-I1265 PolarHBondContact N-O 2.91Å; D1161-I1265 CarbonylContact O-C 3.12Å; D1161-I1265 WeakPolarHBondContact O-CG2 3.23Å; I1162-I1265 VanDerWaalsContact C-CB 3.47Å; I1162-I1265 VanDerWaalsContact N-CB 3.33Å; I1162-I1265 VanDerWaalsContact O-CB 3.24Å; I1162-I1265 WeakPolarHBondContact O-CB 3.44Å; I1162-I1265 WeakPolarHBondContact O-CD1 3.45Å; I1162-I1265 WeakPolarHBondContact O-CG2 3.42Å; I1265-K1626 HydrophobicContact CD1-CD 4.4Å; I1265-K1626 HydrophobicContact CG1-CD 3.69Å | ||
| 1266 | N | 23.5 | Very low | 25 | Very low | 79 Ų | 79 | 100.3 Ų | 100.3 | 42% | 0.422 | 55% | 0.547 | S | S | . | . | -141.9 | 170.7 | -82.5 | -82.7 | -18.7 | 0 | 0 | 0 | 110.2 | K1626 | N1266-K1626 WeakPolarHBondContact OD1-CD 3.42Å; N1266-K1626 WeakPolarHBondContact OD1-CE 3.18Å; N1266-K1626 PolarHBondContact OD1-NZ 3.32Å | |||
| 1267 | T | 23.8 | Very low | 25.3 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 69% | 0.693 | 55% | 0.553 | S | S | * | * | trans | 69.7 | 155.9 | 147.2 | 34.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1268 | W | 24.4 | Very low | 25.1 | Very low | 175 Ų | 175 | 102.3 Ų | 102.3 | 66% | 0.663 | 56% | 0.559 | S | S | * | * | cis | -141.7 | -171.8 | 16.4 | -128.7 | -24.2 | 0 | 0 | 0 | 114.1 | L2184 | W1268-L2184 VanDerWaalsContact CH2-O 3.25Å; W1268-L2184 WeakPolarHBondContact CH2-O 3.35Å | ||
| 1269 | S | 25.2 | Very low | 25 | Very low | 72 Ų | 72 | 103.6 Ų | 103.6 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | trans | -19.1 | 137.3 | 165.6 | -53.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1270 | S | 29.1 | Very low | 25 | Very low | 52 Ų | 52 | 101.1 Ų | 101.1 | 36% | 0.364 | 57% | 0.573 | S | S | . | * | -168.2 | 105.4 | 109.6 | -93.5 | 0 | 0 | 0 | 0 | 112.4 | K1619 | S1270-K1619 WeakPolarHBondContact O-CD 3.06Å; S1270-K1619 WeakPolarHBondContact O-CE 3.36Å; S1270-K1619 PolarHBondContact O-NZ 2.73Å | |||
| 1271 | N | 28.9 | Very low | 25.2 | Very low | 46 Ų | 46 | 100.7 Ų | 100.7 | 25% | 0.246 | 58% | 0.575 | C | S | . | * | 61.5 | 127 | 128.7 | -59.2 | -55.2 | 0 | 0 | 0 | 120.3 | Q1618 S2469 K2470 A2471 | N1271-Q1618 VanDerWaalsContact O-CG 3.25Å; N1271-Q1618 WeakPolarHBondContact O-CG 3.43Å; N1271-Q1618 PolarHBondContact O-NE2 3.01Å; N1271-S2469 WeakPolarHBondContact CB-O 3.37Å; N1271-K2470 VanDerWaalsContact CG-C 3.44Å; N1271-K2470 VanDerWaalsContact CG-O 3.26Å; N1271-K2470 PolarHBondContact OD1-O 2.99Å; N1271-A2471 PolarHBondContact ND2-N 2.96Å | |||
| 1272 | N | 29.4 | Very low | 25.4 | Very low | 80 Ų | 80 | 103.2 Ų | 103.2 | 43% | 0.428 | 57% | 0.571 | S | S | . | * | 57.8 | 158.3 | 117.2 | -54.9 | -24.2 | 0 | 0 | 0 | 123.2 | Q1618 S2469 K2470 | N1272-Q1618 PolarHBondContact O-NE2 3.29Å; N1272-S2469 WeakPolarHBondContact CB-OG 3.16Å; N1272-K2470 PolarHBondContact ND2-O 2.98Å | |||
| 1273 | Q | 30.1 | Very low | 25.7 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 48% | 0.477 | 57% | 0.566 | S | S | . | * | trans | 54.7 | 86.7 | 166.7 | -68.9 | -172.4 | 41.5 | 0 | 0 | 113.5 | K2468 S2469 | Q1273-K2468 VanDerWaalsContact CD-O 3.3Å; Q1273-K2468 PolarHBondContact NE2-O 2.88Å; Q1273-K2468 PolarHBondContact OE1-O 2.78Å; Q1273-S2469 WeakPolarHBondContact CG-OG 3.37Å; Q1273-S2469 PolarHBondContact NE2-OG 2.7Å | ||
| 1274 | L | 24.8 | Very low | 25.9 | Very low | 121 Ų | 121 | 107.4 Ų | 107.4 | 63% | 0.634 | 58% | 0.575 | S | S | * | * | cis | 63.5 | 111.3 | 26.4 | -154.2 | -172.7 | 0 | 0 | 0 | 111.5 | ||||
| 1275 | K | 24 | Very low | 26.1 | Very low | 179 Ų | 179 | 109.6 Ų | 109.6 | 78% | 0.778 | 59% | 0.592 | S | S | * | * | trans | 66.8 | 95.1 | 174.9 | -84 | 163.4 | -167.1 | 168.6 | 0 | 114.8 | ||||
| 1276 | S | 23.6 | Very low | 26.3 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 64% | 0.643 | 61% | 0.612 | S | S | * | * | 82.9 | 178.2 | 82 | 70.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1277 | K | 27 | Very low | 26.4 | Very low | 179 Ų | 179 | 115.1 Ų | 115.1 | 78% | 0.778 | 62% | 0.62 | S | S | * | * | trans | 62.1 | 89.5 | 161 | -72.6 | -178.6 | 172 | -164.1 | 0 | 115.2 | V1279 | K1277-V1279 HydrophobicContact CB-CG2 3.83Å; K1277-V1279 HydrophobicContact CD-CG2 4.44Å; K1277-V1279 HydrophobicContact CG-CG2 4.18Å | ||
| 1278 | S | 19.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 111.4 Ų | 111.4 | 82% | 0.818 | 60% | 0.596 | S | S | * | * | -103.6 | 133 | 99.5 | 34.9 | 0 | 0 | 0 | 0 | 107 | |||||
| 1279 | V | 22.6 | Very low | 26.6 | Very low | 106 Ų | 106 | 104.8 Ų | 104.8 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | cis | 69.6 | 154 | 32.9 | -169 | 0 | 0 | 0 | 0 | 110.6 | K1277 | K1277-V1279 HydrophobicContact CB-CG2 3.83Å; K1277-V1279 HydrophobicContact CD-CG2 4.44Å; K1277-V1279 HydrophobicContact CG-CG2 4.18Å | ||
| 1280 | V | 24.2 | Very low | 26.5 | Very low | 122 Ų | 122 | 104 Ų | 104 | 74% | 0.739 | 56% | 0.564 | S | S | * | * | trans | 84.3 | 104.1 | -168.8 | -174 | 0 | 0 | 0 | 0 | 113 | ||||
| 1281 | D | 27.3 | Very low | 26.4 | Very low | 114 Ų | 114 | 104.7 Ų | 104.7 | 61% | 0.61 | 56% | 0.562 | S | S | * | * | cis | -153.3 | 136.8 | -10.3 | -102.4 | -16.8 | 0 | 0 | 0 | 106.8 | ||||
| 1282 | D | 29.6 | Very low | 26.2 | Very low | 124 Ų | 124 | 105.9 Ų | 105.9 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | 86.7 | 158.4 | 112.5 | -78.1 | -23.9 | 0 | 0 | 0 | 115.9 | |||||
| 1283 | E | 31.6 | Very low | 26 | Very low | 154 Ų | 154 | 106.1 Ų | 106.1 | 72% | 0.72 | 58% | 0.576 | S | S | * | * | cis | -123.7 | 149.4 | 0.7 | -108 | -141.6 | -164.6 | 0 | 0 | 112.9 | ||||
| 1284 | N | 27.7 | Very low | 25.7 | Very low | 105 Ų | 105 | 108.2 Ų | 108.2 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | trans | 23 | 123.1 | 137.9 | -62 | -41.1 | 0 | 0 | 0 | 121.6 | ||||
| 1285 | C | 26.7 | Very low | 25.7 | Very low | 112 Ų | 112 | 108.9 Ų | 108.9 | 76% | 0.757 | 59% | 0.586 | S | S | * | * | trans | 67.4 | 170 | 135.8 | -56.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1286 | I | 29.1 | Very low | 25.7 | Very low | 140 Ų | 140 | 106.4 Ų | 106.4 | 72% | 0.718 | 58% | 0.58 | S | S | * | * | cis | -139.2 | 147.1 | 23.7 | -75 | 174.8 | 0 | 0 | 0 | 110.6 | ||||
| 1287 | L | 26.8 | Very low | 25.8 | Very low | 112 Ų | 112 | 109.1 Ų | 109.1 | 59% | 0.586 | 58% | 0.583 | S | S | * | * | trans | -3.5 | 156.2 | 145.7 | -65.1 | 62.1 | 0 | 0 | 0 | 117.9 | ||||
| 1288 | D | 25.8 | Very low | 25.9 | Very low | 36 Ų | 36 | 106.9 Ų | 106.9 | 19% | 0.193 | 58% | 0.579 | C | S | . | * | cis | -164.6 | 151.2 | -7.7 | -104.5 | -35.5 | 0 | 0 | 0 | 106 | T1186 N1772 | T1186-D1288 PolarHBondContact N-OD2 2.63Å; D1288-N1772 PolarHBondContact O-ND2 2.83Å; D1288-N1772 PolarHBondContact O-OD1 2.85Å | ||
| 1289 | T | 25.3 | Very low | 26.2 | Very low | 36 Ų | 36 | 108.1 Ų | 108.1 | 22% | 0.221 | 57% | 0.57 | C | S | . | * | 80.3 | 132.4 | 50.5 | 81.8 | 0 | 0 | 0 | 0 | 114.9 | L1187 N1188 E1773 V1774 | L1187-T1289 CarbonylContact C-O 3.17Å; L1187-T1289 WeakPolarHBondContact CA-O 3.35Å; L1187-T1289 WeakPolarHBondContact CB-O 3.41Å; L1187-T1289 WeakPolarHBondContact CD2-OG1 3.48Å; L1187-T1289 WeakPolarHBondContact CG-OG1 3.3Å; N1188-T1289 WeakPolarHBondContact CA-O 3.43Å; N1188-T1289 PolarHBondContact N-O 2.97Å; T1289-E1773 PolarHBondContact N-OE1 3.22Å; T1289-V1774 HydrophobicContact CG2-CG1 4.19Å; T1289-V1774 HydrophobicContact CG2-CG2 4.13Å | |||
| 1290 | M | 24.4 | Very low | 26.4 | Very low | 56 Ų | 56 | 108.3 Ų | 108.3 | 28% | 0.276 | 57% | 0.573 | S | S | . | * | trans | 136 | -164.9 | -171.5 | 132.4 | -164.1 | 169.4 | 0 | 0 | 114.8 | L1187 N1188 E1773 V1774 Q1775 | L1187-M1290 HydrophobicContact CB-CB 3.62Å; L1187-M1290 HydrophobicContact CB-CE 4.07Å; L1187-M1290 HydrophobicContact CB-CG 3.41Å; L1187-M1290 VanDerWaalsContact CB-CG 3.41Å; L1187-M1290 HydrophobicContact CB-SD 3.59Å; L1187-M1290 VanDerWaalsContact CB-SD 3.59Å; L1187-M1290 HydrophobicContact CD1-CE 4.28Å; L1187-M1290 HydrophobicContact CD1-SD 3.68Å; L1187-M1290 HydrophobicContact CD2-CB 3.58Å; L1187-M1290 HydrophobicContact CD2-CG 4.11Å; L1187-M1290 HydrophobicContact CD2-SD 3.85Å; L1187-M1290 HydrophobicContact CG-CB 4.09Å; L1187-M1290 HydrophobicContact CG-CG 4.17Å; L1187-M1290 HydrophobicContact CG-SD 3.86Å; N1188-M1290 HydrophobicContact CB-CG 4.05Å; N1188-M1290 WeakPolarHBondContact OD1-CA 3.25Å; N1188-M1290 WeakPolarHBondContact OD1-CG 3.44Å; M1290-E1773 VanDerWaalsContact C-CG 3.49Å; M1290-E1773 WeakPolarHBondContact CA-OE2 3.31Å; M1290-E1773 VanDerWaalsContact O-CB 3.28Å; M1290-E1773 WeakPolarHBondContact O-CB 3.46Å; M1290-E1773 VanDerWaalsContact O-CG 3.3Å; M1290-E1773 WeakPolarHBondContact O-CG 3.46Å; M1290-V1774 CarbonylContact O-C 3.29Å; M1290-V1774 VanDerWaalsContact O-C 3.29Å; M1290-V1774 WeakPolarHBondContact O-CA 3.28Å; M1290-V1774 PolarHBondContact O-N 3.39Å; M1290-V1774 VanDerWaalsContact O-O 3.05Å; M1290-Q1775 HydrophobicContact CB-CG 3.69Å | ||
| 1291 | E | 25.8 | Very low | 26.4 | Very low | 66 Ų | 66 | 105.9 Ų | 105.9 | 31% | 0.308 | 56% | 0.561 | S | S | . | * | trans | -169.5 | 146 | -157.1 | -64.7 | 157.5 | 150 | 0 | 0 | 107 | N1188 E1773 Q1775 | N1188-E1291 VanDerWaalsContact CG-O 3.3Å; N1188-E1291 PolarHBondContact ND2-O 3.06Å; N1188-E1291 PolarHBondContact OD1-N 3.02Å; N1188-E1291 PolarHBondContact OD1-O 3.41Å; E1291-E1773 PolarHBondContact N-OE2 3.08Å; E1291-Q1775 HydrophobicContact CG-CB 3.53Å; E1291-Q1775 HydrophobicContact CG-CG 3.61Å; E1291-Q1775 WeakPolarHBondContact OE1-CB 3.44Å; E1291-Q1775 WeakPolarHBondContact OE1-CG 3.1Å | ||
| 1292 | N | 25.4 | Very low | 26.2 | Very low | 70 Ų | 70 | 103.8 Ų | 103.8 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | 170.9 | 122.1 | 94.2 | -97.5 | -70.6 | 0 | 0 | 0 | 109.7 | D1189 N1190 | D1189-N1292 PolarHBondContact OD1-N 3.48Å; D1189-N1292 PolarHBondContact OD2-N 2.92Å; N1190-N1292 PolarHBondContact ND2-O 3.1Å | |||
| 1293 | S | 25.2 | Very low | 25.9 | Very low | 85 Ų | 85 | 102.3 Ų | 102.3 | 59% | 0.594 | 55% | 0.548 | S | S | * | . | 71.2 | 176.1 | 94.8 | -53.7 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1294 | Q | 24.2 | Very low | 25.5 | Very low | 147 Ų | 147 | 100.3 Ų | 100.3 | 69% | 0.687 | 55% | 0.547 | S | S | * | . | trans | 68.4 | 132.5 | 167.3 | -60.9 | -158.8 | -62.7 | 0 | 0 | 117.2 | ||||
| 1295 | E | 23.7 | Very low | 25.3 | Very low | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 56% | 0.557 | S | S | * | * | cis | -165.9 | -169.7 | -15.7 | -136.2 | 161.6 | -131.5 | 0 | 0 | 110.5 | ||||
| 1296 | L | 25.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 103.4 Ų | 103.4 | 66% | 0.66 | 55% | 0.554 | S | S | * | * | trans | 45.5 | 106.1 | 148.2 | -63.2 | 164.1 | 0 | 0 | 0 | 117.3 | ||||
| 1297 | E | 25.5 | Very low | 24.7 | Very low | 149 Ų | 149 | 102.1 Ų | 102.1 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | 130.6 | 154.3 | 91 | -95 | -179.9 | -155.9 | 0 | 0 | 107.1 | |||||
| 1298 | N | 28.5 | Very low | 24.6 | Very low | 132 Ų | 132 | 102.4 Ų | 102.4 | 71% | 0.706 | 56% | 0.559 | S | S | * | * | cis | -146.4 | 166.3 | 6.5 | -122 | -37.5 | 0 | 0 | 0 | 112.1 | ||||
| 1299 | K | 26.1 | Very low | 24.5 | Very low | 144 Ų | 144 | 105.7 Ų | 105.7 | 63% | 0.626 | 59% | 0.585 | S | S | * | * | trans | -67.5 | 167.9 | 163 | -78.9 | 178.2 | -173.7 | 173.5 | 0 | 110.1 | E2354 N2355 | K1299-E2354 PolarHBondContact NZ-O 2.66Å; K1299-N2355 WeakPolarHBondContact CE-O 3.32Å; K1299-N2355 PolarHBondContact NZ-O 2.85Å | ||
| 1300 | P | 26.8 | Very low | 24.6 | Very low | 110 Ų | 110 | 108.5 Ų | 108.5 | 71% | 0.714 | 61% | 0.606 | S | S | * | * | cis | -147.4 | 158.8 | 35.1 | 50.3 | -30.9 | 0 | 0 | 0 | 115.9 | ||||
| 1301 | S | 23.3 | Very low | 24.6 | Very low | 70 Ų | 70 | 110.6 Ų | 110.6 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | 82 | 156.8 | 90 | 85.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 1302 | S | 23.4 | Very low | 24.7 | Very low | 70 Ų | 70 | 111.7 Ų | 111.7 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | trans | 62.9 | 118.5 | 143.2 | 62.2 | 0 | 0 | 0 | 0 | 122.3 | M2357 | S1302-M2357 PolarHBondContact N-O 2.94Š| ||
| 1303 | N | 23 | Very low | 25 | Very low | 93 Ų | 93 | 114 Ų | 114 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | 71.4 | 120.9 | 123.3 | -57.3 | 2.6 | 0 | 0 | 0 | 121.2 | K2358 | N1303-K2358 WeakPolarHBondContact OD1-CB 3.29Š| |||
| 1304 | T | 22.8 | Very low | 25.1 | Very low | 113 Ų | 113 | 117.4 Ų | 117.4 | 69% | 0.693 | 66% | 0.66 | S | S | * | * | 46.6 | 142.2 | 109.9 | -29.8 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1305 | L | 23.4 | Very low | 25.2 | Very low | 148 Ų | 148 | 115.5 Ų | 115.5 | 78% | 0.775 | 66% | 0.662 | S | S | * | * | trans | 80.8 | 145.7 | 171.6 | -46.1 | 175.3 | 0 | 0 | 0 | 114.3 | ||||
| 1306 | L | 22.3 | Very low | 25.4 | Very low | 134 Ų | 134 | 114.1 Ų | 114.1 | 70% | 0.702 | 67% | 0.667 | S | S | * | * | cis | -173.7 | 155.1 | -30.7 | -113.5 | -174.3 | 0 | 0 | 0 | 106.1 | ||||
| 1307 | T | 21.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 69% | 0.693 | 67% | 0.669 | S | S | * | * | trans | 62.4 | 173.6 | 152 | 53.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1308 | T | 23.9 | Very low | 25.5 | Very low | 117 Ų | 117 | 113.3 Ų | 113.3 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | trans | 62.5 | 94.2 | 171.8 | 54.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1309 | S | 24.9 | Very low | 25.5 | Very low | 105 Ų | 105 | 117.3 Ų | 117.3 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | 82.9 | 143.5 | 74.4 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1310 | S | 26 | Very low | 26 | Very low | 95 Ų | 95 | 115.9 Ų | 115.9 | 66% | 0.664 | 68% | 0.684 | S | S | * | * | cis | -162.5 | 128.2 | 0.6 | 30.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1311 | S | 26 | Very low | 26 | Very low | 101 Ų | 101 | 116.4 Ų | 116.4 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | 80.9 | 175.4 | 108.5 | 82.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1312 | S | 27.7 | Very low | 26.2 | Very low | 89 Ų | 89 | 118.6 Ų | 118.6 | 62% | 0.622 | 71% | 0.705 | S | S | * | * | trans | 70 | 123.9 | 158.8 | -65.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1313 | D | 30.7 | Very low | 26.4 | Very low | 117 Ų | 117 | 118.4 Ų | 118.4 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | cis | -151.2 | 147.5 | 1.3 | -97.9 | -39.2 | 0 | 0 | 0 | 113.4 | ||||
| 1314 | Q | 27.9 | Very low | 26.6 | Very low | 158 Ų | 158 | 118 Ų | 118 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | 38.3 | 148.4 | 128.7 | -58.4 | 177.9 | 65.7 | 0 | 0 | 119.9 | |||||
| 1315 | C | 26.7 | Very low | 26.8 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | cis | -167.3 | 175.2 | -1.2 | -113.2 | 0 | 0 | 0 | 0 | 107 | ||||
| 1316 | S | 27 | Very low | 27.4 | Very low | 106 Ų | 106 | 116.6 Ų | 116.6 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | cis | -157.3 | 144.1 | -1.9 | 31.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1317 | I | 27.3 | Very low | 28 | Very low | 137 Ų | 137 | 113.4 Ų | 113.4 | 70% | 0.703 | 68% | 0.681 | S | S | * | * | trans | -35.7 | 150.3 | 152.6 | -74.4 | 160.1 | 0 | 0 | 0 | 113.1 | R1319 | I1317-R1319 HydrophobicContact CG2-CB 4.3Š| ||
| 1318 | P | 27.3 | Very low | 29 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 78% | 0.779 | 67% | 0.672 | S | S | * | * | cis | -130.6 | 167.2 | 35.8 | 24.1 | 0.1 | 0 | 0 | 0 | 117.9 | ||||
| 1319 | R | 28.5 | Very low | 30.6 | Very low | 217 Ų | 217 | 108.9 Ų | 108.9 | 82% | 0.819 | 65% | 0.65 | S | S | * | * | cis | 92.3 | 152.2 | 24.5 | -99.7 | -163.4 | -177.9 | -162.3 | 4.1 | 116.4 | I1317 | I1317-R1319 HydrophobicContact CG2-CB 4.3Š| ||
| 1320 | P | 35.9 | Very low | 31.6 | Very low | 113 Ų | 113 | 108.7 Ų | 108.7 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | -139.1 | 177.5 | -106.3 | 44.4 | -27.2 | 0 | 0 | 0 | 116.8 | |||||
| 1321 | S | 25.7 | Very low | 33.1 | Very low | 121 Ų | 121 | 107.5 Ų | 107.5 | 85% | 0.846 | 63% | 0.632 | S | S | * | * | trans | -177.2 | 161.1 | 155.9 | 47.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1322 | S | 28.4 | Very low | 34.8 | Very low | 116 Ų | 116 | 105.1 Ų | 105.1 | 81% | 0.811 | 61% | 0.611 | S | S | * | * | cis | -153.1 | 135.3 | -26.3 | -173.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1323 | G | 27.5 | Very low | 36.4 | Very low | 66 Ų | 66 | 102.8 Ų | 102.8 | 68% | 0.68 | 59% | 0.591 | S | S | * | * | 100.2 | 100.4 | 59.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1324 | T | 28.3 | Very low | 37.8 | Very low | 85 Ų | 85 | 102.3 Ų | 102.3 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | trans | -160.5 | 133.7 | -175.9 | -92.4 | 0 | 0 | 0 | 0 | 111.4 | N839 | N839-T1324 HydrophobicContact CB-CG2 3.8Å; N839-T1324 PolarHBondContact ND2-OG1 3.35Å | ||
| 1325 | M | 26.8 | Very low | 39.4 | Very low | 103 Ų | 103 | 97.5 Ų | 97.5 | 51% | 0.507 | 56% | 0.563 | S | S | . | * | B | Isolated β-bridge | trans | -105.9 | 123.8 | 177.4 | -64 | -171 | -62.1 | 0 | 0 | 112 | N839 L1327 | N839-M1325 CarbonylContact C-O 3.11Å; N839-M1325 PolarHBondContact N-O 3.02Å; M1325-L1327 PolarHBondContact O-N 3.14Å |
| 1326 | H | 36 | Very low | 41 | Very low | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -70.6 | 120.9 | 162.4 | -70.8 | -99.3 | 0 | 0 | 0 | 109.2 | E844 | E844-H1326 IonicContact OE2-CE1 2.69Å; E844-H1326 PolarHBondContact OE2-CE1 3.14Å; E844-H1326 VanDerWaalsContact OE2-CE1 3.24Å; E844-H1326 IonicContact OE2-ND1 3.45Å; E844-H1326 PolarHBondContact OE2-ND1 3.3Å |
| 1327 | L | 33.6 | Very low | 42.7 | Very low | 66 Ų | 66 | 94.2 Ų | 94.2 | 35% | 0.346 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -68 | 157.4 | 165.7 | -98.4 | 159.2 | 0 | 0 | 0 | 110.2 | P841 M1325 T1329 | P841-L1327 VanDerWaalsContact CD-CB 3.46Å; P841-L1327 WeakPolarHBondContact CD-O 3.48Å; P841-L1327 HydrophobicContact CG-CB 4.37Å; P841-L1327 WeakPolarHBondContact CG-O 3.49Å; M1325-L1327 PolarHBondContact O-N 3.14Å; L1327-T1329 PolarHBondContact O-N 2.91Å |
| 1328 | L | 42.7 | Very low | 44.4 | Very low | 95 Ų | 95 | 91.2 Ų | 91.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 127.6 | 174.5 | -69.3 | 164.6 | 0 | 0 | 0 | 110.6 | D1332 I1333 L1336 | L1328-D1332 HydrophobicContact CB-CB 4.23Å; L1328-D1332 HydrophobicContact CD2-CB 3.73Å; L1328-I1333 HydrophobicContact CB-CG1 4.09Å; L1328-L1336 HydrophobicContact CD1-CD1 3.74Å; L1328-L1336 HydrophobicContact CD2-CD1 3.96Å; L1328-L1336 HydrophobicContact CG-CD1 4.47Å |
| 1329 | T | 56.9 | Low | 45.5 | Very low | 41 Ų | 41 | 91.8 Ų | 91.8 | 25% | 0.252 | 52% | 0.516 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 165.1 | 174.2 | 68.9 | 0 | 0 | 0 | 0 | 111 | P841 L1327 S1331 D1332 I1333 | P841-T1329 HydrophobicContact CB-CG2 3.87Å; P841-T1329 HydrophobicContact CG-CG2 3.74Å; L1327-T1329 PolarHBondContact O-N 2.91Å; T1329-S1331 PolarHBondContact O-N 3.23Å; T1329-S1331 PolarHBondContact OG1-N 3.37Å; T1329-S1331 PolarHBondContact OG1-OG 3.34Å; T1329-D1332 VanDerWaalsContact CB-OD2 3.29Å; T1329-D1332 WeakPolarHBondContact CB-OD2 3.37Å; T1329-D1332 WeakPolarHBondContact CG2-OD2 3.34Å; T1329-D1332 PolarHBondContact N-OD2 3.26Å; T1329-D1332 PolarHBondContact O-N 2.84Å; T1329-D1332 VanDerWaalsContact O-N 3.07Å; T1329-D1332 PolarHBondContact OG1-N 3.37Å; T1329-D1332 PolarHBondContact OG1-OD1 3.36Å; T1329-D1332 VanDerWaalsContact OG1-OD1 3.1Å; T1329-D1332 PolarHBondContact OG1-OD2 3.39Å; T1329-I1333 WeakPolarHBondContact O-CG1 3.49Å; T1329-I1333 PolarHBondContact O-N 3.08Å |
| 1330 | N | 47.9 | Very low | 47 | Very low | 101 Ų | 101 | 85 Ų | 85 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -28.9 | 171.1 | -76.1 | -44.2 | 0 | 0 | 0 | 112.2 | H1334 | N1330-H1334 WeakPolarHBondContact O-CB 3.32Å; N1330-H1334 PolarHBondContact O-CD2 3.2Å; N1330-H1334 VanDerWaalsContact O-CD2 3.29Å; N1330-H1334 PolarHBondContact O-N 2.95Å |
| 1331 | S | 56.9 | Low | 47.6 | Very low | 69 Ų | 69 | 85.1 Ų | 85.1 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 169.6 | 22.8 | 0 | 0 | 0 | 0 | 111.8 | T1329 I1333 H1334 Q1335 | T1329-S1331 PolarHBondContact O-N 3.23Å; T1329-S1331 PolarHBondContact OG1-N 3.37Å; T1329-S1331 PolarHBondContact OG1-OG 3.34Å; S1331-I1333 VanDerWaalsContact C-N 3.34Å; S1331-I1333 PolarHBondContact O-N 3.06Å; S1331-H1334 CarbonylContact O-C 3.42Å; S1331-H1334 PolarHBondContact O-N 2.83Å; S1331-Q1335 WeakPolarHBondContact O-CB 3.28Å; S1331-Q1335 VanDerWaalsContact O-CG 3.31Å; S1331-Q1335 WeakPolarHBondContact O-CG 3.36Å; S1331-Q1335 PolarHBondContact O-N 3.15Å |
| 1332 | D | 60.7 | Low | 48.8 | Very low | 51 Ų | 51 | 83.3 Ų | 83.3 | 27% | 0.273 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 179.5 | -46.4 | -34.1 | 0 | 0 | 0 | 111.1 | L1328 T1329 Q1335 L1336 | L1328-D1332 HydrophobicContact CB-CB 4.23Å; L1328-D1332 HydrophobicContact CD2-CB 3.73Å; T1329-D1332 VanDerWaalsContact CB-OD2 3.29Å; T1329-D1332 WeakPolarHBondContact CB-OD2 3.37Å; T1329-D1332 WeakPolarHBondContact CG2-OD2 3.34Å; T1329-D1332 PolarHBondContact N-OD2 3.26Å; T1329-D1332 PolarHBondContact O-N 2.84Å; T1329-D1332 VanDerWaalsContact O-N 3.07Å; T1329-D1332 PolarHBondContact OG1-N 3.37Å; T1329-D1332 PolarHBondContact OG1-OD1 3.36Å; T1329-D1332 VanDerWaalsContact OG1-OD1 3.1Å; T1329-D1332 PolarHBondContact OG1-OD2 3.39Å; D1332-Q1335 PolarHBondContact O-N 2.91Å; D1332-L1336 VanDerWaalsContact O-CB 3.29Å; D1332-L1336 WeakPolarHBondContact O-CB 3.48Å; D1332-L1336 VanDerWaalsContact O-CG 3.24Å; D1332-L1336 WeakPolarHBondContact O-CG 3.42Å; D1332-L1336 PolarHBondContact O-N 3.01Å |
| 1333 | I | 62.1 | Low | 49.5 | Very low | 40 Ų | 40 | 84.3 Ų | 84.3 | 21% | 0.205 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 172.6 | -65.8 | 168.9 | 0 | 0 | 0 | 110.6 | L1328 T1329 S1331 L1336 L1337 | L1328-I1333 HydrophobicContact CB-CG1 4.09Å; T1329-I1333 WeakPolarHBondContact O-CG1 3.49Å; T1329-I1333 PolarHBondContact O-N 3.08Å; S1331-I1333 VanDerWaalsContact C-N 3.34Å; S1331-I1333 PolarHBondContact O-N 3.06Å; I1333-L1336 PolarHBondContact O-N 2.71Å; I1333-L1337 HydrophobicContact CG2-CD1 3.96Å; I1333-L1337 WeakPolarHBondContact O-CB 3.27Å; I1333-L1337 VanDerWaalsContact O-CG 3.27Å; I1333-L1337 WeakPolarHBondContact O-CG 3.11Å; I1333-L1337 PolarHBondContact O-N 2.91Å |
| 1334 | H | 59.6 | Low | 50.2 | Low | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 173.8 | -93 | -96.9 | 0 | 0 | 0 | 112.8 | N1330 S1331 S1338 | N1330-H1334 WeakPolarHBondContact O-CB 3.32Å; N1330-H1334 PolarHBondContact O-CD2 3.2Å; N1330-H1334 VanDerWaalsContact O-CD2 3.29Å; N1330-H1334 PolarHBondContact O-N 2.95Å; S1331-H1334 CarbonylContact O-C 3.42Å; S1331-H1334 PolarHBondContact O-N 2.83Å; H1334-S1338 WeakPolarHBondContact O-CB 3.44Å; H1334-S1338 PolarHBondContact O-N 3.15Å; H1334-S1338 PolarHBondContact O-OG 2.94Å |
| 1335 | Q | 61.8 | Low | 51.3 | Low | 58 Ų | 58 | 81.6 Ų | 81.6 | 27% | 0.271 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.4 | -45.1 | 174.1 | -74.7 | 175.7 | 11.3 | 0 | 0 | 111 | A1113 S1331 D1332 L1337 S1338 L1339 | A1113-Q1335 VanDerWaalsContact CB-OE1 3.26Å; S1331-Q1335 WeakPolarHBondContact O-CB 3.28Å; S1331-Q1335 VanDerWaalsContact O-CG 3.31Å; S1331-Q1335 WeakPolarHBondContact O-CG 3.36Å; S1331-Q1335 PolarHBondContact O-N 3.15Å; D1332-Q1335 PolarHBondContact O-N 2.91Å; Q1335-L1337 PolarHBondContact O-N 2.75Å; Q1335-S1338 CarbonylContact O-C 3.51Å; Q1335-S1338 WeakPolarHBondContact O-CA 3.31Å; Q1335-S1338 WeakPolarHBondContact O-CB 3.35Å; Q1335-S1338 PolarHBondContact O-N 3.08Å; Q1335-L1339 WeakPolarHBondContact O-CB 3.26Å; Q1335-L1339 VanDerWaalsContact O-CG 3.23Å; Q1335-L1339 WeakPolarHBondContact O-CG 3.44Å; Q1335-L1339 PolarHBondContact O-N 3.04Å |
| 1336 | L | 60 | Low | 52.2 | Low | 80 Ų | 80 | 83 Ų | 83 | 42% | 0.419 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.9 | -42.2 | 174.3 | -76.1 | 166 | 0 | 0 | 0 | 112 | L1328 D1332 I1333 S1338 L1339 T1340 | L1328-L1336 HydrophobicContact CD1-CD1 3.74Å; L1328-L1336 HydrophobicContact CD2-CD1 3.96Å; L1328-L1336 HydrophobicContact CG-CD1 4.47Å; D1332-L1336 VanDerWaalsContact O-CB 3.29Å; D1332-L1336 WeakPolarHBondContact O-CB 3.48Å; D1332-L1336 VanDerWaalsContact O-CG 3.24Å; D1332-L1336 WeakPolarHBondContact O-CG 3.42Å; D1332-L1336 PolarHBondContact O-N 3.01Å; I1333-L1336 PolarHBondContact O-N 2.71Å; L1336-S1338 VanDerWaalsContact C-N 3.28Å; L1336-S1338 PolarHBondContact O-N 3.42Å; L1336-L1339 PolarHBondContact O-N 3.46Å; L1336-T1340 WeakPolarHBondContact O-CB 3.46Å; L1336-T1340 VanDerWaalsContact O-CG2 3.24Å; L1336-T1340 WeakPolarHBondContact O-CG2 3.31Å; L1336-T1340 PolarHBondContact O-N 3.1Å; L1336-T1340 PolarHBondContact O-OG1 3.17Å |
| 1337 | L | 63.5 | Low | 53.5 | Low | 64 Ų | 64 | 82.1 Ų | 82.1 | 34% | 0.335 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.1 | -27.8 | 173.6 | -72.1 | 169 | 0 | 0 | 0 | 112.8 | I1333 Q1335 L1352 | I1333-L1337 HydrophobicContact CG2-CD1 3.96Å; I1333-L1337 WeakPolarHBondContact O-CB 3.27Å; I1333-L1337 VanDerWaalsContact O-CG 3.27Å; I1333-L1337 WeakPolarHBondContact O-CG 3.11Å; I1333-L1337 PolarHBondContact O-N 2.91Å; Q1335-L1337 PolarHBondContact O-N 2.75Å; L1337-L1352 HydrophobicContact CD1-CD1 4.4Å |
| 1338 | S | 61.8 | Low | 54.8 | Low | 73 Ų | 73 | 79.7 Ų | 79.7 | 51% | 0.51 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -78 | -37.1 | 173.5 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | H1334 Q1335 L1336 | H1334-S1338 WeakPolarHBondContact O-CB 3.44Å; H1334-S1338 PolarHBondContact O-N 3.15Å; H1334-S1338 PolarHBondContact O-OG 2.94Å; Q1335-S1338 CarbonylContact O-C 3.51Å; Q1335-S1338 WeakPolarHBondContact O-CA 3.31Å; Q1335-S1338 WeakPolarHBondContact O-CB 3.35Å; Q1335-S1338 PolarHBondContact O-N 3.08Å; L1336-S1338 VanDerWaalsContact C-N 3.28Å; L1336-S1338 PolarHBondContact O-N 3.42Å |
| 1339 | L | 50.1 | Low | 55.8 | Low | 132 Ų | 132 | 81.9 Ų | 81.9 | 69% | 0.691 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -78 | -34.4 | -178.1 | -73.3 | 166.4 | 0 | 0 | 0 | 112.9 | Q1335 L1336 N1341 | Q1335-L1339 WeakPolarHBondContact O-CB 3.26Å; Q1335-L1339 VanDerWaalsContact O-CG 3.23Å; Q1335-L1339 WeakPolarHBondContact O-CG 3.44Å; Q1335-L1339 PolarHBondContact O-N 3.04Å; L1336-L1339 PolarHBondContact O-N 3.46Å; L1339-N1341 PolarHBondContact O-N 3.32Å |
| 1340 | T | 61.3 | Low | 56.3 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 45% | 0.454 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.1 | -178.1 | 47.9 | 0 | 0 | 0 | 0 | 114.4 | L1336 L1342 | L1336-T1340 WeakPolarHBondContact O-CB 3.46Å; L1336-T1340 VanDerWaalsContact O-CG2 3.24Å; L1336-T1340 WeakPolarHBondContact O-CG2 3.31Å; L1336-T1340 PolarHBondContact O-N 3.1Å; L1336-T1340 PolarHBondContact O-OG1 3.17Å; T1340-L1342 PolarHBondContact O-N 3.43Å |
| 1341 | N | 47.4 | Very low | 57.2 | Low | 116 Ų | 116 | 86.4 Ų | 86.4 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | trans | 56.4 | 21 | 177.7 | -144 | -14.8 | 0 | 0 | 0 | 113.8 | L1339 K1343 | L1339-N1341 PolarHBondContact O-N 3.32Å; N1341-K1343 VanDerWaalsContact C-N 3.25Å; N1341-K1343 PolarHBondContact O-N 3.27Å; N1341-K1343 WeakPolarHBondContact OD1-CE 3.13Å | ||
| 1342 | L | 50.9 | Low | 57.7 | Low | 84 Ų | 84 | 86.9 Ų | 86.9 | 44% | 0.44 | 44% | 0.439 | S | S | . | . | trans | -71.9 | 76.5 | 178.9 | -76.1 | 172.5 | 0 | 0 | 0 | 110.7 | T1340 E1344 | T1340-L1342 PolarHBondContact O-N 3.43Å; L1342-E1344 PolarHBondContact O-N 2.94Å | ||
| 1343 | K | 42.8 | Very low | 58.2 | Low | 136 Ų | 136 | 86.6 Ų | 86.6 | 59% | 0.591 | 44% | 0.444 | S | S | * | . | trans | -66.2 | 96.6 | 175 | -69.2 | 174.8 | -174 | 170 | 0 | 110.3 | N1341 T1345 | N1341-K1343 VanDerWaalsContact C-N 3.25Å; N1341-K1343 PolarHBondContact O-N 3.27Å; N1341-K1343 WeakPolarHBondContact OD1-CE 3.13Å; K1343-T1345 VanDerWaalsContact C-N 3.27Å; K1343-T1345 PolarHBondContact O-N 3.15Å | ||
| 1344 | E | 42.9 | Very low | 58.6 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 26% | 0.262 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 64.6 | 13.4 | 151.3 | -40.2 | 178.9 | 141.7 | 0 | 0 | 117.4 | L1342 K1894 G1895 V1896 V1897 | L1342-E1344 PolarHBondContact O-N 2.94Å; E1344-K1894 WeakPolarHBondContact OE1-CA 3.48Å; E1344-K1894 WeakPolarHBondContact OE1-CB 3.41Å; E1344-G1895 PolarHBondContact OE1-N 3.44Å; E1344-V1896 HydrophobicContact CB-CB 4.39Å; E1344-V1896 HydrophobicContact CB-CG2 4.02Å; E1344-V1896 PolarHBondContact OE1-N 2.67Å; E1344-V1896 VanDerWaalsContact OE2-CA 3.3Å; E1344-V1896 WeakPolarHBondContact OE2-CA 3.38Å; E1344-V1896 PolarHBondContact OE2-N 3.33Å; E1344-V1897 HydrophobicContact CB-CB 3.94Å; E1344-V1897 HydrophobicContact CB-CG2 3.92Å; E1344-V1897 PolarHBondContact OE2-N 2.87Å; E1344-V1897 VanDerWaalsContact OE2-N 3.16Å |
| 1345 | T | 52.1 | Low | 58.7 | Low | 39 Ų | 39 | 89.8 Ų | 89.8 | 24% | 0.239 | 46% | 0.455 | C | S | . | . | trans | -70.7 | 145.8 | 178.7 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | K1343 L1347 A1348 | K1343-T1345 VanDerWaalsContact C-N 3.27Å; K1343-T1345 PolarHBondContact O-N 3.15Å; T1345-L1347 PolarHBondContact O-N 2.88Å; T1345-L1347 VanDerWaalsContact O-N 3.09Å; T1345-A1348 PolarHBondContact O-N 3.29Å | ||
| 1346 | E | 46.2 | Very low | 58.8 | Low | 131 Ų | 131 | 96 Ų | 96 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -48.5 | -38.5 | 170.7 | -171.6 | -166.8 | 128.1 | 0 | 0 | 111.6 | A1348 H1349 R1350 | E1346-A1348 PolarHBondContact O-N 3.04Å; E1346-A1348 VanDerWaalsContact O-N 3.16Å; E1346-H1349 CarbonylContact O-C 3.51Å; E1346-H1349 WeakPolarHBondContact O-CA 3.18Å; E1346-H1349 WeakPolarHBondContact O-CB 3.4Å; E1346-H1349 PolarHBondContact O-N 2.87Å; E1346-R1350 WeakPolarHBondContact O-CB 3.28Å; E1346-R1350 PolarHBondContact O-N 3.08Å; E1346-R1350 IonicContact OE1-CZ 3.49Å; E1346-R1350 IonicContact OE1-NH1 2.68Å; E1346-R1350 PolarHBondContact OE1-NH1 2.71Å |
| 1347 | L | 63 | Low | 59.4 | Low | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -50.4 | -37.6 | 177.4 | -138.7 | 170.2 | 0 | 0 | 0 | 113.3 | T1345 R1350 L1351 | T1345-L1347 PolarHBondContact O-N 2.88Å; T1345-L1347 VanDerWaalsContact O-N 3.09Å; L1347-R1350 PolarHBondContact O-N 2.88Å; L1347-L1351 HydrophobicContact CD2-CD1 3.57Å; L1347-L1351 HydrophobicContact CD2-CG 3.9Å; L1347-L1351 WeakPolarHBondContact O-CB 3.49Å; L1347-L1351 WeakPolarHBondContact O-CG 3.44Å; L1347-L1351 PolarHBondContact O-N 3.29Å |
| 1348 | A | 60.1 | Low | 59.4 | Low | 15 Ų | 15 | 96.8 Ų | 96.8 | 12% | 0.124 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -73.1 | -39.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1345 E1346 R1350 L1352 | T1345-A1348 PolarHBondContact O-N 3.29Å; E1346-A1348 PolarHBondContact O-N 3.04Å; E1346-A1348 VanDerWaalsContact O-N 3.16Å; A1348-R1350 VanDerWaalsContact C-N 3.3Å; A1348-L1352 WeakPolarHBondContact O-CB 3.33Å; A1348-L1352 VanDerWaalsContact O-CG 3.31Å; A1348-L1352 WeakPolarHBondContact O-CG 3.46Å; A1348-L1352 PolarHBondContact O-N 2.51Å |
| 1349 | H | 63.2 | Low | 59.3 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.4 | -35.1 | 171.3 | -95.5 | -114.8 | 0 | 0 | 0 | 112.1 | E1346 L1352 A1353 | E1346-H1349 CarbonylContact O-C 3.51Å; E1346-H1349 WeakPolarHBondContact O-CA 3.18Å; E1346-H1349 WeakPolarHBondContact O-CB 3.4Å; E1346-H1349 PolarHBondContact O-N 2.87Å; H1349-L1352 PolarHBondContact O-N 2.75Å; H1349-A1353 VanDerWaalsContact O-CB 3.28Å; H1349-A1353 WeakPolarHBondContact O-CB 3.49Å; H1349-A1353 PolarHBondContact O-N 3.17Å |
| 1350 | R | 68.8 | Low | 59.7 | Low | 143 Ų | 143 | 95.3 Ų | 95.3 | 54% | 0.54 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.3 | -43.8 | -179.5 | -159.1 | 162.8 | -177.6 | 147.7 | -5.6 | 111.5 | E1346 L1347 A1348 A1353 E1354 | E1346-R1350 WeakPolarHBondContact O-CB 3.28Å; E1346-R1350 PolarHBondContact O-N 3.08Å; E1346-R1350 IonicContact OE1-CZ 3.49Å; E1346-R1350 IonicContact OE1-NH1 2.68Å; E1346-R1350 PolarHBondContact OE1-NH1 2.71Å; L1347-R1350 PolarHBondContact O-N 2.88Å; A1348-R1350 VanDerWaalsContact C-N 3.3Å; R1350-A1353 PolarHBondContact O-N 3.32Å; R1350-A1353 VanDerWaalsContact O-N 3.17Å; R1350-E1354 WeakPolarHBondContact O-CB 3.1Å; R1350-E1354 WeakPolarHBondContact O-CG 3.46Å; R1350-E1354 PolarHBondContact O-N 2.81Å |
| 1351 | L | 66.9 | Low | 59.5 | Low | 94 Ų | 94 | 98.2 Ų | 98.2 | 49% | 0.492 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -40.8 | 169.1 | -75.1 | 168 | 0 | 0 | 0 | 112.2 | L1347 A1353 Y1355 | L1347-L1351 HydrophobicContact CD2-CD1 3.57Å; L1347-L1351 HydrophobicContact CD2-CG 3.9Å; L1347-L1351 WeakPolarHBondContact O-CB 3.49Å; L1347-L1351 WeakPolarHBondContact O-CG 3.44Å; L1347-L1351 PolarHBondContact O-N 3.29Å; L1351-A1353 VanDerWaalsContact C-N 3.3Å; L1351-A1353 PolarHBondContact O-N 3.29Å; L1351-Y1355 WeakPolarHBondContact O-CB 3.43Å; L1351-Y1355 PolarHBondContact O-N 3.29Å |
| 1352 | L | 66.9 | Low | 59.8 | Low | 78 Ų | 78 | 99.8 Ų | 99.8 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.8 | -28.4 | 174 | -77.1 | 167.4 | 0 | 0 | 0 | 113.1 | L1337 A1348 H1349 R1356 | L1337-L1352 HydrophobicContact CD1-CD1 4.4Å; A1348-L1352 WeakPolarHBondContact O-CB 3.33Å; A1348-L1352 VanDerWaalsContact O-CG 3.31Å; A1348-L1352 WeakPolarHBondContact O-CG 3.46Å; A1348-L1352 PolarHBondContact O-N 2.51Å; H1349-L1352 PolarHBondContact O-N 2.75Å; L1352-R1356 WeakPolarHBondContact O-CB 3.42Å; L1352-R1356 WeakPolarHBondContact O-CG 2.93Å; L1352-R1356 PolarHBondContact O-N 2.94Å; L1352-R1356 VanDerWaalsContact O-N 3.15Å |
| 1353 | A | 70.7 | Confident | 59.6 | Low | 46 Ų | 46 | 102.8 Ų | 102.8 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.5 | -46.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | H1349 R1350 L1351 R1356 Q1357 | H1349-A1353 VanDerWaalsContact O-CB 3.28Å; H1349-A1353 WeakPolarHBondContact O-CB 3.49Å; H1349-A1353 PolarHBondContact O-N 3.17Å; R1350-A1353 PolarHBondContact O-N 3.32Å; R1350-A1353 VanDerWaalsContact O-N 3.17Å; L1351-A1353 VanDerWaalsContact C-N 3.3Å; L1351-A1353 PolarHBondContact O-N 3.29Å; A1353-R1356 CarbonylContact O-C 3.22Å; A1353-R1356 WeakPolarHBondContact O-CB 3.07Å; A1353-R1356 PolarHBondContact O-N 2.85Å; A1353-Q1357 WeakPolarHBondContact O-CG 3.49Å; A1353-Q1357 PolarHBondContact O-N 3.48Å |
| 1354 | E | 69.8 | Low | 59.7 | Low | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 176 | -74 | 174.2 | -162.6 | 0 | 0 | 111.2 | R1350 R1356 Q1357 A1358 | R1350-E1354 WeakPolarHBondContact O-CB 3.1Å; R1350-E1354 WeakPolarHBondContact O-CG 3.46Å; R1350-E1354 PolarHBondContact O-N 2.81Å; E1354-R1356 VanDerWaalsContact C-N 3.34Å; E1354-R1356 PolarHBondContact O-N 3.27Å; E1354-Q1357 PolarHBondContact O-N 2.83Å; E1354-A1358 WeakPolarHBondContact O-CB 3.47Å; E1354-A1358 PolarHBondContact O-N 2.75Å |
| 1355 | Y | 63 | Low | 59.3 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.4 | -35.5 | 172.4 | -167.9 | -107.3 | 0 | 0 | 0 | 112.1 | L1351 L1359 | L1351-Y1355 WeakPolarHBondContact O-CB 3.43Å; L1351-Y1355 PolarHBondContact O-N 3.29Å; Y1355-L1359 HydrophobicContact CD1-CD1 3.83Å; Y1355-L1359 HydrophobicContact CE1-CD1 3.67Å; Y1355-L1359 HydrophobicContact CE1-CG 4.48Å; Y1355-L1359 WeakPolarHBondContact O-CB 3.15Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.49Å; Y1355-L1359 PolarHBondContact O-N 2.76Å |
| 1356 | R | 63.6 | Low | 58.5 | Low | 187 Ų | 187 | 112 Ų | 112 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.3 | -39.6 | 169.5 | -88.7 | -179.7 | 165.2 | 172 | -1.7 | 112.8 | L1352 A1353 E1354 L1359 L1360 | L1352-R1356 WeakPolarHBondContact O-CB 3.42Å; L1352-R1356 WeakPolarHBondContact O-CG 2.93Å; L1352-R1356 PolarHBondContact O-N 2.94Å; L1352-R1356 VanDerWaalsContact O-N 3.15Å; A1353-R1356 CarbonylContact O-C 3.22Å; A1353-R1356 WeakPolarHBondContact O-CB 3.07Å; A1353-R1356 PolarHBondContact O-N 2.85Å; E1354-R1356 VanDerWaalsContact C-N 3.34Å; E1354-R1356 PolarHBondContact O-N 3.27Å; R1356-L1359 PolarHBondContact O-N 2.89Å; R1356-L1360 WeakPolarHBondContact O-CB 3.35Å; R1356-L1360 VanDerWaalsContact O-CG 3.27Å; R1356-L1360 WeakPolarHBondContact O-CG 3.27Å; R1356-L1360 PolarHBondContact O-N 2.95Å |
| 1357 | Q | 71.4 | Confident | 57.8 | Low | 122 Ų | 122 | 112.7 Ų | 112.7 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69 | -39.1 | 176.8 | -75.1 | -179.1 | -61.2 | 0 | 0 | 111.5 | A1353 E1354 L1360 Q1361 | A1353-Q1357 WeakPolarHBondContact O-CG 3.49Å; A1353-Q1357 PolarHBondContact O-N 3.48Å; E1354-Q1357 PolarHBondContact O-N 2.83Å; Q1357-L1360 PolarHBondContact O-N 3.37Å; Q1357-Q1361 WeakPolarHBondContact O-CB 3.33Å; Q1357-Q1361 WeakPolarHBondContact O-CG 3.39Å; Q1357-Q1361 PolarHBondContact O-N 3.08Å |
| 1358 | A | 64.5 | Low | 56.1 | Low | 39 Ų | 39 | 115 Ų | 115 | 32% | 0.322 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.2 | -43.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1354 L1360 Q1361 Q1362 | E1354-A1358 WeakPolarHBondContact O-CB 3.47Å; E1354-A1358 PolarHBondContact O-N 2.75Å; A1358-L1360 PolarHBondContact O-N 3.01Å; A1358-Q1361 PolarHBondContact O-N 3.41Å; A1358-Q1362 WeakPolarHBondContact O-CB 3.4Å; A1358-Q1362 WeakPolarHBondContact O-CG 3.32Å; A1358-Q1362 PolarHBondContact O-N 2.86Å |
| 1359 | L | 59.3 | Low | 54.7 | Low | 69 Ų | 69 | 119.2 Ų | 119.2 | 36% | 0.361 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 173.4 | -81.4 | 167.4 | 0 | 0 | 0 | 112.5 | Y1355 R1356 Q1362 Q1363 | Y1355-L1359 HydrophobicContact CD1-CD1 3.83Å; Y1355-L1359 HydrophobicContact CE1-CD1 3.67Å; Y1355-L1359 HydrophobicContact CE1-CG 4.48Å; Y1355-L1359 WeakPolarHBondContact O-CB 3.15Å; Y1355-L1359 WeakPolarHBondContact O-CG 3.49Å; Y1355-L1359 PolarHBondContact O-N 2.76Å; R1356-L1359 PolarHBondContact O-N 2.89Å; L1359-Q1362 PolarHBondContact O-N 3.49Å; L1359-Q1363 WeakPolarHBondContact O-CB 3.22Å; L1359-Q1363 WeakPolarHBondContact O-CG 3.48Å; L1359-Q1363 PolarHBondContact O-N 2.83Å |
| 1360 | L | 58.6 | Low | 53.1 | Low | 105 Ų | 105 | 119 Ų | 119 | 55% | 0.55 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.6 | -39.8 | 175.3 | -74.2 | 166.6 | 0 | 0 | 0 | 111.9 | R1356 Q1357 A1358 Q1363 C1364 | R1356-L1360 WeakPolarHBondContact O-CB 3.35Å; R1356-L1360 VanDerWaalsContact O-CG 3.27Å; R1356-L1360 WeakPolarHBondContact O-CG 3.27Å; R1356-L1360 PolarHBondContact O-N 2.95Å; Q1357-L1360 PolarHBondContact O-N 3.37Å; A1358-L1360 PolarHBondContact O-N 3.01Å; L1360-Q1363 PolarHBondContact O-N 3.44Å; L1360-C1364 PolarHBondContact O-N 2.99Å; L1360-C1364 PolarHBondContact O-SG 3.46Å |
| 1361 | Q | 56.8 | Low | 51.2 | Low | 136 Ų | 136 | 117.8 Ų | 117.8 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.7 | -39.3 | 173.2 | -76.4 | 178.2 | -44.4 | 0 | 0 | 111.9 | Q1357 A1358 Q1363 C1364 | Q1357-Q1361 WeakPolarHBondContact O-CB 3.33Å; Q1357-Q1361 WeakPolarHBondContact O-CG 3.39Å; Q1357-Q1361 PolarHBondContact O-N 3.08Å; A1358-Q1361 PolarHBondContact O-N 3.41Å; Q1361-Q1363 VanDerWaalsContact C-N 3.3Å; Q1361-Q1363 PolarHBondContact O-N 3.3Å; Q1361-C1364 PolarHBondContact O-N 2.9Å |
| 1362 | Q | 54 | Low | 49.7 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.4 | -27.8 | 173.9 | -75.1 | 179.1 | -11.6 | 0 | 0 | 113.1 | A1358 L1359 | A1358-Q1362 WeakPolarHBondContact O-CB 3.4Å; A1358-Q1362 WeakPolarHBondContact O-CG 3.32Å; A1358-Q1362 PolarHBondContact O-N 2.86Å; L1359-Q1362 PolarHBondContact O-N 3.49Å |
| 1363 | Q | 47.8 | Very low | 48.2 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 69% | 0.687 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.7 | -9.4 | 174.3 | -75.9 | -178.9 | -12.4 | 0 | 0 | 114.3 | L1359 L1360 Q1361 | L1359-Q1363 WeakPolarHBondContact O-CB 3.22Å; L1359-Q1363 WeakPolarHBondContact O-CG 3.48Å; L1359-Q1363 PolarHBondContact O-N 2.83Å; L1360-Q1363 PolarHBondContact O-N 3.44Å; Q1361-Q1363 VanDerWaalsContact C-N 3.3Å; Q1361-Q1363 PolarHBondContact O-N 3.3Å |
| 1364 | C | 43 | Very low | 46.2 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | 4.9 | -175 | -75.5 | 0 | 0 | 0 | 0 | 115.7 | L1360 Q1361 | L1360-C1364 PolarHBondContact O-N 2.99Å; L1360-C1364 PolarHBondContact O-SG 3.46Å; Q1361-C1364 PolarHBondContact O-N 2.9Å |
| 1365 | L | 36.5 | Very low | 44.5 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 72% | 0.717 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -119.1 | -7.5 | -167.6 | -74.3 | 173.2 | 0 | 0 | 0 | 117.8 | ||
| 1366 | H | 34.9 | Very low | 42.7 | Very low | 181 Ų | 181 | 126.9 Ų | 126.9 | 84% | 0.838 | 70% | 0.697 | S | S | * | * | trans | -143.7 | 82.2 | 178.9 | -79.8 | -80 | 0 | 0 | 0 | 115 | ||||
| 1367 | T | 30.7 | Very low | 41 | Very low | 146 Ų | 146 | 122 Ų | 122 | 90% | 0.896 | 70% | 0.697 | S | S | * | * | trans | -156.1 | 64 | 135.9 | 51.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1368 | N | 28.1 | Very low | 39 | Very low | 161 Ų | 161 | 120.8 Ų | 120.8 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | trans | -78.6 | 150.3 | 139.8 | -71.9 | -25.2 | 0 | 0 | 0 | 106.5 | ||||
| 1369 | S | 29.6 | Very low | 37.3 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | cis | -168.2 | 147.9 | 3 | 35.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1370 | V | 29.6 | Very low | 35.6 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 83% | 0.83 | 74% | 0.735 | S | S | * | * | trans | 48.9 | 119 | 138.8 | -178.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1371 | S | 29.2 | Very low | 34.1 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | -169.4 | 110.2 | 116.5 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1372 | T | 36.3 | Very low | 32.6 | Very low | 134 Ų | 134 | 131.6 Ų | 131.6 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -85 | 156.6 | 165.5 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1373 | P | 34.4 | Very low | 31.3 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | -141.4 | -164.9 | 73.7 | 42.4 | -24.5 | 0 | 0 | 0 | 111.1 | |||||
| 1374 | N | 28.6 | Very low | 30.3 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -152.2 | 152.4 | 1.3 | -137.7 | -11.4 | 0 | 0 | 0 | 104.9 | ||||
| 1375 | L | 33.9 | Very low | 29.4 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | cis | -167 | 165.8 | 47.2 | -114 | 169.7 | 0 | 0 | 0 | 110.4 | ||||
| 1376 | S | 26.9 | Very low | 29.1 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | 0.4 | 143.3 | 152.9 | 57.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1377 | A | 27.8 | Very low | 28.7 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | cis | -166.5 | 175.7 | -0.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1378 | S | 28.4 | Very low | 28.6 | Very low | 96 Ų | 96 | 125 Ų | 125 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | trans | 6.1 | 159.5 | 137.3 | -40 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1379 | Q | 28.1 | Very low | 28.8 | Very low | 151 Ų | 151 | 123.5 Ų | 123.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -157.8 | 129.3 | 28.4 | -143.6 | 123.2 | -6.1 | 0 | 0 | 108.3 | ||||
| 1380 | E | 25.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | 74.7 | 142.6 | 100.2 | -77.9 | -172.5 | 139.4 | 0 | 0 | 118.8 | |||||
| 1381 | L | 25.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 59% | 0.592 | 73% | 0.725 | S | S | * | * | trans | 54.9 | 112 | 139.8 | -60.7 | 168.6 | 0 | 0 | 0 | 122.1 | ||||
| 1382 | Q | 27 | Very low | 29.2 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | 68.2 | -164.6 | 127.5 | -61.7 | 177.9 | -10.7 | 0 | 0 | 117.3 | |||||
| 1383 | V | 26.9 | Very low | 29 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | 64.6 | 85.2 | 174.1 | -170.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1384 | L | 25.4 | Very low | 28.8 | Very low | 155 Ų | 155 | 127.3 Ų | 127.3 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | 43.9 | 132.5 | 72.7 | -55.5 | 173.7 | 0 | 0 | 0 | 110.9 | |||||
| 1385 | S | 25.4 | Very low | 28.8 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | cis | -175.6 | 171.8 | 26.4 | -143.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1386 | S | 29 | Very low | 28.4 | Very low | 100 Ų | 100 | 124.2 Ų | 124.2 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | 64.8 | 167.2 | 143.4 | 70.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1387 | S | 26.4 | Very low | 28.3 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | cis | -119.8 | 136.8 | 1 | 40.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1388 | I | 28.2 | Very low | 28 | Very low | 147 Ų | 147 | 128.1 Ų | 128.1 | 75% | 0.754 | 71% | 0.709 | S | S | * | * | 60.8 | 120.6 | 78.8 | -51.5 | 156.9 | 0 | 0 | 0 | 112.9 | |||||
| 1389 | V | 33.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 79% | 0.788 | 71% | 0.708 | S | S | * | * | trans | 169.9 | 156.4 | 133.5 | 152.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1390 | A | 32.5 | Very low | 27.5 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | 74.6 | 62.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1391 | E | 32.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | 61.7 | 135.4 | 107.9 | -70.7 | 133 | -132.9 | 0 | 0 | 122.6 | |||||
| 1392 | D | 31.9 | Very low | 27.6 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | 61.4 | 92.2 | 129.3 | -57 | 8.1 | 0 | 0 | 0 | 119.8 | |||||
| 1393 | M | 30.7 | Very low | 27.5 | Very low | 155 Ų | 155 | 125.5 Ų | 125.5 | 76% | 0.764 | 71% | 0.709 | S | S | * | * | -160.3 | 108.8 | 76.2 | -92.3 | -87.2 | 76.2 | 0 | 0 | 111.5 | |||||
| 1394 | E | 31.3 | Very low | 27.9 | Very low | 171 Ų | 171 | 123.3 Ų | 123.3 | 80% | 0.799 | 70% | 0.704 | S | S | * | * | trans | -49.8 | 142 | 142.6 | -170.8 | 162.7 | -128.1 | 0 | 0 | 109.7 | ||||
| 1395 | G | 27.6 | Very low | 28.4 | Very low | 63 Ų | 63 | 121.9 Ų | 121.9 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | trans | 148.3 | 54.1 | -149.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1396 | Q | 25.9 | Very low | 28.6 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | 60.7 | 137.2 | 64.4 | -175 | 176.7 | -26.7 | 0 | 0 | 110.7 | |||||
| 1397 | E | 24.1 | Very low | 28.7 | Very low | 152 Ų | 152 | 125 Ų | 125 | 71% | 0.71 | 69% | 0.694 | S | S | * | * | trans | 60 | 114.4 | 179.3 | -77.1 | 146.9 | -131.2 | 0 | 0 | 115.3 | ||||
| 1398 | D | 22.8 | Very low | 28.7 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | cis | -169.6 | -165.4 | 5.2 | -151.3 | -15.2 | 0 | 0 | 0 | 110.8 | ||||
| 1399 | Q | 23.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 128 Ų | 128 | 66% | 0.659 | 70% | 0.695 | S | S | * | * | -10.9 | 139.5 | 123.4 | -58.8 | 164.5 | 84.4 | 0 | 0 | 113.3 | |||||
| 1400 | I | 22.7 | Very low | 28.5 | Very low | 128 Ų | 128 | 131 Ų | 131 | 66% | 0.656 | 69% | 0.693 | S | S | * | * | -165.7 | 126.8 | 58 | -126.2 | 129.1 | 0 | 0 | 0 | 108.5 | |||||
| 1401 | N | 25.4 | Very low | 28.3 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | 54.3 | 139.9 | 134.8 | -54.3 | -15.8 | 0 | 0 | 0 | 121.2 | ||||
| 1402 | T | 26.5 | Very low | 28 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 69% | 0.693 | S | S | * | * | cis | -169.5 | 160.1 | -8.9 | 17.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1403 | S | 24.9 | Very low | 27.7 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | trans | 61.7 | 136.3 | 152.8 | 59.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1404 | A | 34.9 | Very low | 27.4 | Very low | 78 Ų | 78 | 131 Ų | 131 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | cis | 67 | 155.9 | 41.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1405 | P | 35.9 | Very low | 27.1 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 68% | 0.68 | S | S | * | * | cis | -135.6 | 173.6 | 45.5 | 41.5 | -24.7 | 0 | 0 | 0 | 117 | ||||
| 1406 | E | 30.7 | Very low | 26.8 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 38% | 0.379 | 69% | 0.685 | S | S | . | * | trans | -85.8 | -165.4 | 161.2 | -61.8 | 167.1 | 117.8 | 0 | 0 | 110.2 | K784 | K784-E1406 WeakPolarHBondContact CB-OE1 3.16Å; K784-E1406 WeakPolarHBondContact CD-OE2 3.31Å; K784-E1406 VanDerWaalsContact CE-OE2 3.29Å; K784-E1406 WeakPolarHBondContact CE-OE2 3.46Å; K784-E1406 VanDerWaalsContact CG-OE1 3.31Å; K784-E1406 WeakPolarHBondContact CG-OE1 3.46Å; K784-E1406 PolarHBondContact N-OE1 3.42Å; K784-E1406 VanDerWaalsContact N-OE1 3.07Å; K784-E1406 IonicContact NZ-OE2 3.54Å; K784-E1406 PolarHBondContact NZ-OE2 3.28Å | ||
| 1407 | K | 30.1 | Very low | 26.8 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 18.1 | 116.3 | 157.3 | -64.6 | 175.2 | -178.8 | 171.8 | 0 | 118.9 | ||
| 1408 | S | 27.8 | Very low | 27 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | 37.4 | 131.1 | 141.1 | 67.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1409 | R | 30.8 | Very low | 27.1 | Very low | 215 Ų | 215 | 129.9 Ų | 129.9 | 81% | 0.811 | 68% | 0.677 | S | S | * | * | 176.7 | 159.8 | 88.2 | -91 | 168.4 | -166.9 | -171.4 | 2.6 | 110.4 | |||||
| 1410 | Y | 25.8 | Very low | 27.2 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | trans | 55.9 | 145.2 | 143.3 | -82 | -133.8 | 0 | 0 | 0 | 118.7 | ||||
| 1411 | K | 29.3 | Very low | 27.4 | Very low | 162 Ų | 162 | 131 Ų | 131 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | cis | -160 | -139.8 | -17.3 | -154.1 | -178.7 | -168.6 | 179.7 | 0 | 105.1 | ||||
| 1412 | T | 26.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 132 Ų | 132 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | trans | 26.8 | 109.5 | 145.9 | 44.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1413 | S | 26 | Very low | 27.6 | Very low | 87 Ų | 87 | 132.6 Ų | 132.6 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | 49.6 | 126.8 | 83.4 | 84.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1414 | K | 23.4 | Very low | 27.8 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | cis | -129.2 | -164.9 | 47.5 | -82.6 | 158.3 | -173.7 | 161.6 | 0 | 110.2 | ||||
| 1415 | K | 24.7 | Very low | 27.6 | Very low | 151 Ų | 151 | 136.2 Ų | 136.2 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | 27.2 | 135.9 | 75.5 | -16.2 | 167.6 | 177 | -173.2 | 0 | 111.5 | F1417 | K1415-F1417 HydrophobicContact CB-CD2 3.82Å; K1415-F1417 HydrophobicContact CB-CE2 4.1Å; K1415-F1417 HydrophobicContact CD-CD2 4.32Å; K1415-F1417 HydrophobicContact CD-CE2 3.74Å; K1415-F1417 HydrophobicContact CD-CZ 4.23Å; K1415-F1417 HydrophobicContact CG-CD2 4.33Å; K1415-F1417 HydrophobicContact CG-CE2 4.12Å | |||
| 1416 | Q | 22.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 139.5 Ų | 139.5 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | cis | -114.7 | 137.2 | 41.3 | -89.5 | 173 | -86.1 | 0 | 0 | 112.5 | ||||
| 1417 | F | 26.4 | Very low | 26.8 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 57% | 0.57 | 69% | 0.69 | S | S | * | * | 60.8 | 110.6 | 79.8 | -72.4 | -157.4 | 0 | 0 | 0 | 109.3 | K1415 | K1415-F1417 HydrophobicContact CB-CD2 3.82Å; K1415-F1417 HydrophobicContact CB-CE2 4.1Å; K1415-F1417 HydrophobicContact CD-CD2 4.32Å; K1415-F1417 HydrophobicContact CD-CE2 3.74Å; K1415-F1417 HydrophobicContact CD-CZ 4.23Å; K1415-F1417 HydrophobicContact CG-CD2 4.33Å; K1415-F1417 HydrophobicContact CG-CE2 4.12Å | |||
| 1418 | D | 26.5 | Very low | 26.6 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 64% | 0.642 | 69% | 0.685 | S | S | * | * | cis | -145.6 | -161.7 | 1.8 | -123.8 | -17.5 | 0 | 0 | 0 | 110 | ||||
| 1419 | G | 26 | Very low | 26.6 | Very low | 62 Ų | 62 | 140 Ų | 140 | 64% | 0.639 | 69% | 0.685 | S | S | * | * | cis | 53.4 | 147.3 | 48.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1420 | S | 25 | Very low | 26.4 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 51% | 0.51 | 68% | 0.676 | S | S | . | * | cis | -136.4 | 149.7 | 10.3 | -63.2 | 0 | 0 | 0 | 0 | 106.8 | Q1422 | S1420-Q1422 CarbonylContact C-O 2.97Š| ||
| 1421 | R | 27.5 | Very low | 26.4 | Very low | 219 Ų | 219 | 130.4 Ų | 130.4 | 83% | 0.826 | 67% | 0.667 | S | S | * | * | 51.8 | 114.6 | 56.1 | 176.3 | -138.1 | -169.8 | -166.1 | 4 | 108 | |||||
| 1422 | Q | 27.7 | Very low | 26.5 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 71% | 0.71 | 67% | 0.668 | S | S | * | * | trans | 75.5 | 139.5 | -144.4 | -49.7 | 149.3 | 9.2 | 0 | 0 | 108.5 | S1420 | S1420-Q1422 CarbonylContact C-O 2.97Š| ||
| 1423 | T | 28.1 | Very low | 26.6 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 77% | 0.767 | 67% | 0.673 | S | S | * | * | cis | -151.2 | 140.5 | -5 | 12.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1424 | S | 29.1 | Very low | 26.5 | Very low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 68% | 0.68 | S | S | * | * | cis | -172.3 | -169 | 0.6 | 43.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1425 | K | 29.8 | Very low | 26.7 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 75% | 0.752 | 67% | 0.673 | S | S | * | * | trans | 26.6 | 130.2 | 130.2 | -67.4 | 163.5 | -178.5 | 175.6 | 0 | 115.9 | ||||
| 1426 | K | 26.9 | Very low | 26.8 | Very low | 192 Ų | 192 | 129.4 Ų | 129.4 | 84% | 0.835 | 68% | 0.682 | S | S | * | * | trans | 70.2 | 145.8 | 138.2 | -74.8 | -171.1 | 176.6 | -164 | 0 | 114.4 | ||||
| 1427 | S | 23.6 | Very low | 26.9 | Very low | 74 Ų | 74 | 126.4 Ų | 126.4 | 52% | 0.517 | 68% | 0.678 | S | S | . | * | cis | 169 | 165.5 | -4 | 45 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1428 | H | 26.6 | Very low | 26.9 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 70% | 0.704 | 68% | 0.683 | S | S | * | * | trans | 66 | 147 | 168 | -60.4 | -77.9 | 0 | 0 | 0 | 111.4 | ||||
| 1429 | E | 26.4 | Very low | 27 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | cis | -153.9 | 170 | -2.8 | -131.1 | 153.8 | -164.7 | 0 | 0 | 112.7 | ||||
| 1430 | T | 26.9 | Very low | 27.1 | Very low | 100 Ų | 100 | 135 Ų | 135 | 61% | 0.613 | 70% | 0.702 | S | S | * | * | trans | 4.8 | 147.3 | 140.3 | 57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1431 | N | 27.1 | Very low | 27.5 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | cis | -167.5 | -179.8 | 14 | -122 | -19.4 | 0 | 0 | 0 | 112.2 | ||||
| 1432 | H | 29.7 | Very low | 27.3 | Very low | 157 Ų | 157 | 130.4 Ų | 130.4 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 31.7 | 156.3 | 138.6 | -48.9 | -35.9 | 0 | 0 | 0 | 121.3 | ||||
| 1433 | I | 28.2 | Very low | 27.1 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | cis | -126.3 | 132.3 | 4 | -65.9 | 176.9 | 0 | 0 | 0 | 104 | ||||
| 1434 | S | 25.7 | Very low | 27.1 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | 58 | 152.5 | 78.4 | -90.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1435 | S | 27 | Very low | 26.7 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | cis | -175.9 | 147.8 | -8 | 44 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1436 | N | 26.8 | Very low | 26.6 | Very low | 158 Ų | 158 | 130.9 Ų | 130.9 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | 60.5 | -180 | 146.7 | -51.7 | -14.7 | 0 | 0 | 0 | 115.9 | ||||
| 1437 | S | 24.9 | Very low | 26.4 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 67% | 0.671 | 69% | 0.694 | S | S | * | * | cis | -148.7 | 129 | -6.8 | 104.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1438 | V | 26 | Very low | 26.4 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 68% | 0.679 | 70% | 0.704 | S | S | * | * | 86.8 | 151.8 | 87.9 | 164.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1439 | R | 28.6 | Very low | 26.4 | Very low | 229 Ų | 229 | 128.5 Ų | 128.5 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | 71.9 | 119.2 | 176.6 | -74.3 | 153.4 | -156 | -154.9 | 4.4 | 115.2 | ||||
| 1440 | N | 26.9 | Very low | 26.3 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | cis | 64.5 | 140.8 | 16.8 | -118.2 | 41 | 0 | 0 | 0 | 114.1 | ||||
| 1441 | P | 34.1 | Very low | 26.2 | Very low | 97 Ų | 97 | 126.6 Ų | 126.6 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | cis | -136.3 | -152.8 | -24 | 38.9 | -18.3 | 0 | 0 | 0 | 111.6 | ||||
| 1442 | S | 23.6 | Very low | 26.2 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | 64.4 | 157.7 | 157.3 | 39.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1443 | E | 24.4 | Very low | 26.1 | Very low | 176 Ų | 176 | 128.9 Ų | 128.9 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | -161.2 | -164.9 | -14.5 | -115.6 | 178.3 | 174.3 | 0 | 0 | 108.9 | ||||
| 1444 | V | 26.8 | Very low | 26.1 | Very low | 131 Ų | 131 | 128.8 Ų | 128.8 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | trans | 85.4 | 148.5 | 158.6 | -166.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1445 | S | 21.6 | Very low | 26.2 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 60% | 0.601 | 72% | 0.721 | S | S | * | * | trans | -89.5 | -163 | -174.4 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1446 | H | 27.6 | Very low | 26.3 | Very low | 153 Ų | 153 | 134 Ų | 134 | 71% | 0.708 | 73% | 0.728 | S | S | * | * | trans | 80.8 | 109.1 | 176.5 | -51.6 | -70.7 | 0 | 0 | 0 | 113.6 | ||||
| 1447 | S | 22 | Very low | 26.2 | Very low | 84 Ų | 84 | 137.1 Ų | 137.1 | 59% | 0.587 | 73% | 0.728 | S | S | * | * | 74.2 | 130.5 | 54.2 | 80.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1448 | N | 24.2 | Very low | 26.3 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 69.2 | 151.4 | 177.8 | -58.3 | -31.6 | 0 | 0 | 0 | 114.2 | ||||
| 1449 | Q | 25.3 | Very low | 26.4 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | -159.7 | 179.3 | -15.3 | -116.5 | 165.9 | 28.3 | 0 | 0 | 109.5 | ||||
| 1450 | T | 24.4 | Very low | 26.2 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 72% | 0.717 | S | S | * | * | trans | 35.2 | 108.9 | 150.4 | 56 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1451 | A | 25.7 | Very low | 26.2 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | 91.6 | 163.9 | 105.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1452 | S | 27.5 | Very low | 25.9 | Very low | 92 Ų | 92 | 131.2 Ų | 131.2 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | cis | -129.3 | 146.2 | 15.1 | -80.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1453 | R | 27.5 | Very low | 26 | Very low | 221 Ų | 221 | 129.8 Ų | 129.8 | 83% | 0.834 | 67% | 0.674 | S | S | * | * | 48.5 | 130.3 | 102.2 | -43.7 | 168.6 | 168.7 | -178.4 | -3.4 | 112.4 | |||||
| 1454 | L | 27.3 | Very low | 26.1 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | cis | -156.6 | 167.8 | 46.7 | -69.8 | 163.6 | 0 | 0 | 0 | 108 | ||||
| 1455 | K | 28.8 | Very low | 26 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | cis | -164.2 | 152.5 | -1.4 | -112.3 | 161.4 | 174.9 | 178.9 | 0 | 103.5 | ||||
| 1456 | V | 29 | Very low | 26.1 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 70% | 0.703 | 66% | 0.658 | S | S | * | * | cis | -161.3 | 139 | -6 | 107.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1457 | R | 24.7 | Very low | 26 | Very low | 224 Ų | 224 | 128 Ų | 128 | 85% | 0.845 | 66% | 0.663 | S | S | * | * | 44.4 | 139.9 | 111.1 | -91.8 | 179.3 | 171.8 | 164.1 | -4 | 115.8 | |||||
| 1458 | C | 27.4 | Very low | 26 | Very low | 107 Ų | 107 | 131 Ų | 131 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | cis | -165.1 | -179.8 | 27.6 | -101.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1459 | N | 26.3 | Very low | 26.2 | Very low | 112 Ų | 112 | 130 Ų | 130 | 60% | 0.599 | 68% | 0.676 | S | S | * | * | cis | -172.2 | 157.7 | -41.3 | -152.7 | 6.2 | 0 | 0 | 0 | 111.9 | ||||
| 1460 | R | 26 | Very low | 26.6 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | trans | 65.6 | 125.9 | 150.3 | -78 | 175.6 | 180 | 176.5 | -2.4 | 125.2 | K1564 | R1460-K1564 PolarHBondContact O-NZ 3.06Š| ||
| 1461 | N | 25.9 | Very low | 26.7 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 38% | 0.38 | 68% | 0.682 | S | S | . | * | 99.7 | 137.6 | 115.7 | -78.6 | 20.2 | 0 | 0 | 0 | 126.1 | K1564 S1565 | N1461-K1564 VanDerWaalsContact O-CB 3.31Å; N1461-K1564 WeakPolarHBondContact O-CB 3.47Å; N1461-K1564 VanDerWaalsContact O-CD 3.3Å; N1461-K1564 WeakPolarHBondContact O-CD 3.2Å; N1461-S1565 VanDerWaalsContact O-CB 3.23Å; N1461-S1565 WeakPolarHBondContact O-CB 3.29Å | |||
| 1462 | I | 28 | Very low | 26.7 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 48% | 0.482 | 69% | 0.685 | S | S | . | * | trans | 79.2 | 88.1 | 135.4 | -68.6 | 167.2 | 0 | 0 | 0 | 122.2 | K1564 S1565 | I1462-K1564 CarbonylContact O-C 3.55Å; I1462-S1565 WeakPolarHBondContact CA-OG 3.41Å; I1462-S1565 PolarHBondContact N-OG 3.14Å; I1462-S1565 WeakPolarHBondContact O-CA 3.42Å; I1462-S1565 WeakPolarHBondContact O-CB 3.19Å; I1462-S1565 PolarHBondContact O-N 3.1Å | ||
| 1463 | D | 24.9 | Very low | 26.7 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | 92 | 132 | 126.6 | -55.6 | 2.3 | 0 | 0 | 0 | 126.4 | S1565 W1566 R2252 | D1463-S1565 VanDerWaalsContact N-CB 3.31Å; D1463-S1565 PolarHBondContact N-OG 2.92Å; D1463-S1565 CarbonylContact O-C 3.55Å; D1463-S1565 PolarHBondContact O-N 3.28Å; D1463-W1566 CarbonylContact C-O 3.02Å; D1463-W1566 WeakPolarHBondContact CA-O 3.38Å; D1463-W1566 PolarHBondContact N-O 2.93Å; D1463-R2252 PolarHBondContact O-NH2 3.19Å | |||
| 1464 | I | 26.3 | Very low | 26.7 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 46% | 0.456 | 69% | 0.685 | S | S | . | * | 77.8 | 146.6 | 121.2 | -67.5 | 173 | 0 | 0 | 0 | 124.8 | W1566 | I1464-W1566 PolarHBondContact N-O 3.07Š| |||
| 1465 | Q | 25.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 130.1 Ų | 130.1 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | trans | 64.9 | 172.6 | 165 | -81.7 | 165.2 | 18.5 | 0 | 0 | 120.5 | ||||
| 1466 | S | 24.4 | Very low | 26.5 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 60% | 0.601 | 69% | 0.685 | S | S | * | * | -171.7 | 179.2 | -70.6 | 57.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 1467 | I | 24.5 | Very low | 26.2 | Very low | 156 Ų | 156 | 123.8 Ų | 123.8 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | 80.2 | 167.1 | 167.7 | -60.5 | 163.7 | 0 | 0 | 0 | 116.1 | ||||
| 1468 | D | 23.5 | Very low | 26.2 | Very low | 148 Ų | 148 | 121.3 Ų | 121.3 | 79% | 0.791 | 67% | 0.673 | S | S | * | * | trans | -102.7 | -162.3 | -146.1 | -64.4 | -89.5 | 0 | 0 | 0 | 117.4 | ||||
| 1469 | S | 28.7 | Very low | 26.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 68% | 0.675 | S | S | * | * | trans | -24.6 | 161.5 | 160.4 | -92.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1470 | P | 33.1 | Very low | 26 | Very low | 124 Ų | 124 | 126.9 Ų | 126.9 | 81% | 0.805 | 68% | 0.681 | S | S | * | * | cis | -146.1 | -156.3 | 39.4 | 45.3 | -25 | 0 | 0 | 0 | 117.1 | ||||
| 1471 | D | 26.1 | Very low | 25.9 | Very low | 140 Ų | 140 | 123.3 Ų | 123.3 | 75% | 0.749 | 68% | 0.675 | S | S | * | * | trans | -74.8 | 169 | -175.3 | -81 | -76.5 | 0 | 0 | 0 | 118 | ||||
| 1472 | Y | 26.7 | Very low | 25.9 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | trans | 91.2 | 169.2 | 137.8 | -115.5 | -111.6 | 0 | 0 | 0 | 123.1 | ||||
| 1473 | V | 26.6 | Very low | 25.8 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 72% | 0.721 | 69% | 0.689 | S | S | * | * | trans | 78.3 | 101 | 171.9 | -157.9 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1474 | N | 28 | Very low | 26 | Very low | 138 Ų | 138 | 130 Ų | 130 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | 23.1 | 158.5 | 113.9 | -47.3 | -21.3 | 0 | 0 | 0 | 119 | |||||
| 1475 | A | 26 | Very low | 26.2 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 70% | 0.695 | S | S | * | * | cis | -156.3 | 174.2 | 17.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1476 | A | 25 | Very low | 26.5 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | 64.1 | 161.9 | 146 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1477 | A | 23.5 | Very low | 26.8 | Very low | 64 Ų | 64 | 130.4 Ų | 130.4 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | cis | -160.8 | 168.4 | -33.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1478 | F | 25.3 | Very low | 27.2 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 75% | 0.754 | 70% | 0.695 | S | S | * | * | trans | 66.1 | 152.5 | 172.4 | -47.3 | -67 | 0 | 0 | 0 | 114.8 | ||||
| 1479 | R | 24.4 | Very low | 27.9 | Very low | 202 Ų | 202 | 132 Ų | 132 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | cis | -147.5 | 157.1 | -14 | -119.9 | 158.4 | -165.4 | 165.4 | 2.9 | 108.6 | ||||
| 1480 | N | 24.2 | Very low | 28 | Very low | 135 Ų | 135 | 134.7 Ų | 134.7 | 72% | 0.722 | 70% | 0.696 | S | S | * | * | trans | -0.8 | 148.6 | 131.5 | -59.4 | -3.4 | 0 | 0 | 0 | 116.4 | ||||
| 1481 | D | 24.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 133.1 Ų | 133.1 | 55% | 0.545 | 69% | 0.688 | S | S | . | * | cis | -163.9 | 176.6 | 25.5 | -136.4 | -17.7 | 0 | 0 | 0 | 115.5 | ||||
| 1482 | R | 25.6 | Very low | 28 | Very low | 145 Ų | 145 | 134.2 Ų | 134.2 | 55% | 0.547 | 69% | 0.693 | S | S | . | * | trans | 16.6 | 157.8 | 139.8 | -71.6 | 157.2 | -155.2 | -174.9 | -10.4 | 121.1 | ||||
| 1483 | R | 24.7 | Very low | 28.1 | Very low | 162 Ų | 162 | 128 Ų | 128 | 61% | 0.611 | 68% | 0.684 | S | S | * | * | cis | -162.2 | 144.1 | 6.2 | -116.8 | 159.9 | -173.3 | 165 | 0.7 | 108.8 | ||||
| 1484 | H | 28.8 | Very low | 28.1 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 31% | 0.306 | 69% | 0.688 | S | S | . | * | 63.8 | 115.2 | 102.2 | -85.5 | -88.5 | 0 | 0 | 0 | 118.2 | N1004 | N1004-H1484 VanDerWaalsContact CB-CE1 3.46Å; N1004-H1484 WeakPolarHBondContact CB-CE1 3.47Å; N1004-H1484 VanDerWaalsContact CB-NE2 3.32Å; N1004-H1484 WeakPolarHBondContact CB-NE2 3.46Å; N1004-H1484 PolarHBondContact O-CE1 3.07Å; N1004-H1484 VanDerWaalsContact O-CE1 3.28Å | |||
| 1485 | T | 31.2 | Very low | 28.3 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.644 | 69% | 0.687 | S | S | * | * | 71.5 | 147.3 | 90.4 | 64.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1486 | N | 30.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 65% | 0.652 | 68% | 0.681 | S | S | * | * | cis | -166.2 | 166.5 | 4.4 | -122 | 28.8 | 0 | 0 | 0 | 113.1 | ||||
| 1487 | D | 31.5 | Very low | 29 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 68% | 0.678 | S | S | * | * | trans | 60.5 | 171.1 | 145 | -66.3 | -31.4 | 0 | 0 | 0 | 120.9 | ||||
| 1488 | R | 33.2 | Very low | 29.2 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | cis | -143.7 | 165.4 | -2.9 | -131.6 | -140.3 | 176.9 | 110.4 | -3 | 110.6 | ||||
| 1489 | P | 38.6 | Very low | 29.4 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -112.1 | -179.3 | -175.1 | 42.4 | -34.6 | 0 | 0 | 0 | 114.8 | ||||
| 1490 | L | 30.5 | Very low | 29.5 | Very low | 169 Ų | 169 | 125 Ų | 125 | 89% | 0.885 | 68% | 0.677 | S | S | * | * | trans | -139.2 | 163 | 153.9 | -106 | 175.2 | 0 | 0 | 0 | 113.7 | ||||
| 1491 | S | 30 | Very low | 29.6 | Very low | 91 Ų | 91 | 125 Ų | 125 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | trans | -85 | 175.2 | -167.1 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1492 | L | 29.2 | Very low | 29.6 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | -172.5 | 169.9 | 58 | -124.2 | 162.7 | 0 | 0 | 0 | 113.7 | |||||
| 1493 | A | 27.7 | Very low | 29.6 | Very low | 75 Ų | 75 | 121 Ų | 121 | 62% | 0.62 | 68% | 0.68 | S | S | * | * | trans | 73.1 | 104.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1494 | S | 28 | Very low | 29.6 | Very low | 114 Ų | 114 | 121.2 Ų | 121.2 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | 27 | 150.9 | 116.8 | 51.8 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1495 | S | 30.6 | Very low | 29.4 | Very low | 103 Ų | 103 | 121.6 Ų | 121.6 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | cis | 173.9 | 170.7 | -11.7 | -145.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 1496 | T | 32.7 | Very low | 29.3 | Very low | 101 Ų | 101 | 120.5 Ų | 120.5 | 62% | 0.62 | 68% | 0.678 | S | S | * | * | cis | -157.5 | 160.2 | -8.3 | -16.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1497 | D | 33.1 | Very low | 28.9 | Very low | 141 Ų | 141 | 118.5 Ų | 118.5 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | trans | 63.2 | 166.8 | 148.5 | -65.1 | -18.8 | 0 | 0 | 0 | 119.6 | ||||
| 1498 | I | 29 | Very low | 28.4 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 72% | 0.723 | 65% | 0.652 | S | S | * | * | cis | -140.5 | 143.3 | 6.6 | -146.9 | 154.8 | 0 | 0 | 0 | 113.8 | ||||
| 1499 | D | 28.4 | Very low | 28 | Very low | 133 Ų | 133 | 105.3 Ų | 105.3 | 71% | 0.711 | 62% | 0.62 | S | S | * | * | trans | 65.6 | 137.4 | 147.3 | -110.2 | -40.5 | 0 | 0 | 0 | 126.1 | ||||
| 1500 | S | 27.3 | Very low | 27.2 | Very low | 85 Ų | 85 | 106.8 Ų | 106.8 | 59% | 0.594 | 62% | 0.615 | S | S | * | * | trans | 46.9 | 106.1 | 135.6 | -74.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1501 | N | 25.9 | Very low | 26.8 | Very low | 137 Ų | 137 | 102.6 Ų | 102.6 | 73% | 0.733 | 59% | 0.591 | S | S | * | * | -170.3 | 138.1 | 64.4 | -108.9 | -65.5 | 0 | 0 | 0 | 115.8 | |||||
| 1502 | A | 25.6 | Very low | 26.5 | Very low | 68 Ų | 68 | 103.6 Ų | 103.6 | 56% | 0.562 | 59% | 0.587 | S | S | * | * | trans | 33.7 | 128.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1503 | T | 24 | Very low | 26.2 | Very low | 94 Ų | 94 | 105.4 Ų | 105.4 | 58% | 0.577 | 58% | 0.583 | S | S | * | * | trans | 70.3 | 101.6 | 146.7 | 56.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1504 | F | 26.1 | Very low | 25.9 | Very low | 166 Ų | 166 | 107.6 Ų | 107.6 | 73% | 0.728 | 59% | 0.588 | S | S | * | * | 54.7 | 129.6 | 115.2 | -81.2 | -77 | 0 | 0 | 0 | 118.3 | |||||
| 1505 | R | 24.8 | Very low | 25.8 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 28% | 0.283 | 59% | 0.586 | S | S | . | * | cis | -155.6 | 150.4 | 36.2 | -64.3 | -177.7 | -156.8 | 170.3 | -11 | 115 | H1866 S1867 F2036 T2037 | R1505-H1866 PolarHBondContact NH2-O 3.06Å; R1505-S1867 PolarHBondContact NH2-O 2.78Å; R1505-S1867 PolarHBondContact NH2-OG 2.68Å; R1505-F2036 PolarHBondContact NH1-O 3.47Å; R1505-T2037 HydrophobicContact CB-CG2 4.15Å; R1505-T2037 VanDerWaalsContact O-CG2 3.22Å; R1505-T2037 WeakPolarHBondContact O-CG2 3.17Å | ||
| 1506 | V | 27.3 | Very low | 25.6 | Very low | 82 Ų | 82 | 107.9 Ų | 107.9 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | trans | 10.3 | 119.7 | 139.4 | -148.8 | 0 | 0 | 0 | 0 | 119.4 | N2035 | V1506-N2035 HydrophobicContact CB-CB 4.41Å; V1506-N2035 WeakPolarHBondContact CG1-ND2 3.5Å; V1506-N2035 WeakPolarHBondContact CG1-OD1 3.27Å; V1506-N2035 WeakPolarHBondContact O-CB 3.41Å | ||
| 1507 | L | 23.2 | Very low | 25.4 | Very low | 79 Ų | 79 | 106.6 Ų | 106.6 | 41% | 0.414 | 60% | 0.598 | S | S | . | * | trans | -157 | 135.4 | 135.5 | -122.7 | -180 | 0 | 0 | 0 | 110.5 | P2033 K2034 N2035 | L1507-P2033 HydrophobicContact CD2-CB 4.3Å; L1507-P2033 HydrophobicContact CD2-CG 4.32Å; L1507-K2034 HydrophobicContact CD2-CG 4.49Å; L1507-N2035 HydrophobicContact CD2-CB 4.38Å; L1507-N2035 HydrophobicContact CG-CB 4.07Å | ||
| 1508 | S | 21.5 | Very low | 25.2 | Very low | 60 Ų | 60 | 103.3 Ų | 103.3 | 42% | 0.42 | 60% | 0.596 | S | S | . | * | trans | 55.3 | 158.2 | 146.5 | 61.7 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1509 | S | 23.6 | Very low | 25.1 | Very low | 27 Ų | 27 | 102.2 Ų | 102.2 | 19% | 0.189 | 59% | 0.592 | C | S | . | * | 55.1 | 128.6 | 54.2 | -3.4 | 0 | 0 | 0 | 0 | 111.7 | K2032 P2033 | S1509-K2032 WeakPolarHBondContact OG-CB 3.36Å; S1509-K2032 WeakPolarHBondContact OG-CD 3.45Å; S1509-P2033 WeakPolarHBondContact OG-CB 3.39Å; S1509-P2033 WeakPolarHBondContact OG-CG 3.37Å | |||
| 1510 | F | 21.8 | Very low | 25 | Very low | 139 Ų | 139 | 105.6 Ų | 105.6 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | cis | -106.8 | 147 | 8.4 | -109.8 | -127.9 | 0 | 0 | 0 | 110 | P2031 | F1510-P2031 HydrophobicContact CE2-CB 3.94Å; F1510-P2031 HydrophobicContact CZ-CB 4.02Å; F1510-P2031 HydrophobicContact CZ-CG 4.23Å | ||
| 1511 | E | 22.4 | Very low | 25 | Very low | 81 Ų | 81 | 106.1 Ų | 106.1 | 38% | 0.379 | 60% | 0.6 | S | S | . | * | 67.4 | 134.4 | 97.8 | -69.2 | -149.6 | 129.9 | 0 | 0 | 117.8 | K2030 | E1511-K2030 HydrophobicContact CG-CD 4.12Å; E1511-K2030 WeakPolarHBondContact OE1-CD 3.38Å; E1511-K2030 WeakPolarHBondContact OE1-CE 3.33Å; E1511-K2030 IonicContact OE1-NZ 2.59Å; E1511-K2030 PolarHBondContact OE1-NZ 3.47Å | |||
| 1512 | M | 23.6 | Very low | 24.9 | Very low | 112 Ų | 112 | 102.2 Ų | 102.2 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | trans | 75.8 | 156.3 | 141.4 | -75.8 | -178 | -167.5 | 0 | 0 | 117.8 | ||||
| 1513 | R | 23.2 | Very low | 24.9 | Very low | 201 Ų | 201 | 100 Ų | 100 | 76% | 0.758 | 57% | 0.565 | S | S | * | * | cis | -136 | -155.5 | -0.8 | -136.3 | 157.7 | -171.9 | 152.5 | -0.1 | 109.9 | ||||
| 1514 | T | 22.6 | Very low | 25.1 | Very low | 120 Ų | 120 | 100.4 Ų | 100.4 | 74% | 0.736 | 56% | 0.564 | S | S | * | * | trans | 11.2 | 138.5 | 148.6 | 52.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1515 | S | 24.8 | Very low | 25.1 | Very low | 107 Ų | 107 | 97.2 Ų | 97.2 | 75% | 0.748 | 55% | 0.554 | S | S | * | * | cis | -177.4 | 167.6 | 21 | 23.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1516 | S | 25.8 | Very low | 25.1 | Very low | 117 Ų | 117 | 99.7 Ų | 99.7 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | cis | -168.2 | 174.6 | -2.4 | 34.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 1517 | G | 29.5 | Very low | 24.9 | Very low | 74 Ų | 74 | 102.7 Ų | 102.7 | 76% | 0.763 | 58% | 0.584 | S | S | * | * | trans | 92.8 | 46.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1518 | G | 29.2 | Very low | 24.9 | Very low | 71 Ų | 71 | 103.9 Ų | 103.9 | 73% | 0.732 | 60% | 0.595 | S | S | * | * | trans | 48.6 | -144.8 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1519 | N | 25.7 | Very low | 25 | Very low | 118 Ų | 118 | 107.5 Ų | 107.5 | 63% | 0.631 | 61% | 0.609 | S | S | * | * | cis | -159.4 | 135.3 | -13 | -123.3 | 9.7 | 0 | 0 | 0 | 111.3 | ||||
| 1520 | Y | 27.5 | Very low | 25.2 | Very low | 204 Ų | 204 | 111.4 Ų | 111.4 | 80% | 0.8 | 64% | 0.635 | S | S | * | * | trans | 61.7 | 165.1 | 170.5 | -39.7 | -56.1 | 0 | 0 | 0 | 115.6 | ||||
| 1521 | S | 26.1 | Very low | 25.3 | Very low | 97 Ų | 97 | 108 Ų | 108 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | cis | -141.9 | 162.7 | -9.6 | -148.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1522 | T | 24.3 | Very low | 25.6 | Very low | 55 Ų | 55 | 109.9 Ų | 109.9 | 34% | 0.337 | 64% | 0.64 | S | S | . | * | trans | -19.8 | 149.1 | 151.7 | 59.5 | 0 | 0 | 0 | 0 | 116.4 | E2018 | T1522-E2018 CarbonylContact C-O 3.54Å; T1522-E2018 WeakPolarHBondContact CB-O 3.47Å; T1522-E2018 PolarHBondContact OG1-O 2.87Å | ||
| 1523 | G | 26.2 | Very low | 25.8 | Very low | 21 Ų | 21 | 107.6 Ų | 107.6 | 22% | 0.216 | 65% | 0.645 | C | S | . | * | cis | 107.5 | 100.4 | 3.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | E2018 P2019 S2020 | G1523-E2018 CarbonylContact C-O 3.24Å; G1523-E2018 VanDerWaalsContact CA-OE2 3.29Å; G1523-E2018 WeakPolarHBondContact CA-OE2 2.86Å; G1523-E2018 PolarHBondContact N-O 3.03Å; G1523-E2018 VanDerWaalsContact N-O 3.12Å; G1523-E2018 PolarHBondContact N-OE1 2.83Å; G1523-E2018 PolarHBondContact N-OE2 2.72Å; G1523-E2018 CarbonylContact O-C 3.58Å; G1523-P2019 CarbonylContact O-C 3.54Å; G1523-P2019 WeakPolarHBondContact O-CA 3.28Å; G1523-P2019 VanDerWaalsContact O-N 3.13Å; G1523-S2020 PolarHBondContact O-N 2.83Å | ||
| 1524 | N | 28 | Very low | 25.9 | Very low | 102 Ų | 102 | 101.8 Ų | 101.8 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | trans | 86.9 | 149.2 | 167.9 | -45.6 | -56.1 | 0 | 0 | 0 | 120.9 | L2017 E2018 P2019 | N1524-L2017 CarbonylContact C-O 3.47Å; N1524-L2017 CarbonylContact O-C 3.04Å; N1524-L2017 VanDerWaalsContact O-C 3.23Å; N1524-E2018 PolarHBondContact N-OE2 3.3Å; N1524-E2018 CarbonylContact O-C 3.5Å; N1524-E2018 VanDerWaalsContact O-C 3.24Å; N1524-E2018 WeakPolarHBondContact O-CA 3.32Å; N1524-E2018 PolarHBondContact O-N 3.27Å; N1524-P2019 WeakPolarHBondContact O-CD 3.44Å | ||
| 1525 | L | 25.2 | Very low | 26.3 | Very low | 100 Ų | 100 | 101.6 Ų | 101.6 | 52% | 0.524 | 63% | 0.626 | S | S | . | * | trans | 89.3 | 138.2 | 157 | -55.4 | 171.3 | 0 | 0 | 0 | 119.2 | L2017 P2019 | L1525-L2017 CarbonylContact C-O 2.85Å; L1525-L2017 PolarHBondContact N-O 3.32Å; L1525-L2017 CarbonylContact O-C 3.47Å; L1525-L2017 WeakPolarHBondContact O-CA 3.01Å; L1525-L2017 VanDerWaalsContact O-CB 3.29Å; L1525-L2017 WeakPolarHBondContact O-CB 3.34Å; L1525-L2017 PolarHBondContact O-N 3.4Å; L1525-P2019 WeakPolarHBondContact CD1-O 3.43Å | ||
| 1526 | I | 25.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 102 Ų | 102 | 65% | 0.646 | 62% | 0.616 | S | S | * | * | cis | 163.8 | 171.4 | -5.3 | -163.2 | 163 | 0 | 0 | 0 | 104.1 | ||||
| 1527 | L | 24.1 | Very low | 26.7 | Very low | 146 Ų | 146 | 99.1 Ų | 99.1 | 76% | 0.764 | 60% | 0.599 | S | S | * | * | trans | 66 | 158.5 | 171.3 | -64.8 | 162.5 | 0 | 0 | 0 | 115.4 | ||||
| 1528 | T | 23.3 | Very low | 26.7 | Very low | 104 Ų | 104 | 100.8 Ų | 100.8 | 64% | 0.638 | 60% | 0.595 | S | S | * | * | cis | -149.5 | 160.3 | 5.9 | -12.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1529 | N | 23.5 | Very low | 26.5 | Very low | 135 Ų | 135 | 105.7 Ų | 105.7 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | trans | 70.1 | 131.6 | 157 | -59.1 | -9.3 | 0 | 0 | 0 | 117.8 | ||||
| 1530 | C | 27.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 74% | 0.743 | 61% | 0.609 | S | S | * | * | cis | 81.6 | 145.9 | 44.9 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1531 | S | 24.2 | Very low | 26.7 | Very low | 67 Ų | 67 | 101.3 Ų | 101.3 | 47% | 0.469 | 61% | 0.609 | S | S | . | * | cis | -134.6 | 164.7 | 18.9 | -55.1 | 0 | 0 | 0 | 0 | 114 | G883 C885 | G883-S1531 PolarHBondContact O-OG 2.84Å; C885-S1531 PolarHBondContact N-OG 2.91Å | ||
| 1532 | I | 29.1 | Very low | 26.6 | Very low | 121 Ų | 121 | 101.6 Ų | 101.6 | 62% | 0.621 | 61% | 0.61 | S | S | * | * | trans | -74 | 161.9 | 154.1 | -69 | 170.4 | 0 | 0 | 0 | 108 | Y886 | Y886-I1532 VanDerWaalsContact O-CG2 3.29Å; Y886-I1532 WeakPolarHBondContact O-CG2 3.4Å | ||
| 1533 | G | 26.4 | Very low | 26.8 | Very low | 63 Ų | 63 | 104.7 Ų | 104.7 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | trans | -98.1 | 129.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1534 | S | 26.6 | Very low | 26.8 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 56% | 0.559 | 65% | 0.653 | S | S | * | * | trans | -42.2 | 165.3 | 173.8 | 40.1 | 0 | 0 | 0 | 0 | 117.3 | E887 | E887-S1534 CarbonylContact O-C 3.56Å; E887-S1534 VanDerWaalsContact O-CA 3.26Å; E887-S1534 WeakPolarHBondContact O-CA 3.23Å | ||
| 1535 | E | 30 | Very low | 26.8 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 54% | 0.537 | 66% | 0.66 | S | S | . | * | cis | -162.3 | -179.3 | -10.2 | -102.7 | 147.2 | -150.1 | 0 | 0 | 105.6 | Y886 E887 | Y886-E1535 WeakPolarHBondContact CB-OE1 3.26Å; E887-E1535 HydrophobicContact CB-CG 4.49Å; E887-E1535 WeakPolarHBondContact O-CA 3.1Å; E887-E1535 PolarHBondContact O-N 3.49Å | ||
| 1536 | E | 27.8 | Very low | 26.9 | Very low | 116 Ų | 116 | 112 Ų | 112 | 54% | 0.542 | 67% | 0.667 | S | S | . | * | cis | -160.2 | -164.2 | 20.5 | -154.8 | -110.9 | 106.9 | 0 | 0 | 109.9 | H889 T1538 | H889-E1536 WeakPolarHBondContact CB-O 3.47Å; E1536-T1538 VanDerWaalsContact OE1-CG2 3.25Å; E1536-T1538 WeakPolarHBondContact OE1-CG2 3.4Å | ||
| 1537 | A | 31.8 | Very low | 27.2 | Very low | 56 Ų | 56 | 113.3 Ų | 113.3 | 46% | 0.463 | 68% | 0.676 | S | S | . | * | trans | 73.4 | 91.2 | 149 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1538 | T | 28.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 110.6 Ų | 110.6 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | 77.1 | 148.2 | 57.2 | 77.6 | 0 | 0 | 0 | 0 | 115 | E1536 | E1536-T1538 VanDerWaalsContact OE1-CG2 3.25Å; E1536-T1538 WeakPolarHBondContact OE1-CG2 3.4Å | |||
| 1539 | M | 26.8 | Very low | 28.1 | Very low | 174 Ų | 174 | 112.5 Ų | 112.5 | 86% | 0.857 | 67% | 0.673 | S | S | * | * | cis | -130.9 | 175.9 | -5.9 | -80.2 | -161.4 | -97 | 0 | 0 | 109.9 | ||||
| 1540 | G | 27.7 | Very low | 28.3 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -165.9 | -24.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1541 | L | 27.9 | Very low | 28.6 | Very low | 153 Ų | 153 | 115.6 Ų | 115.6 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | trans | 48.1 | 104 | 165.4 | -67.5 | 172.9 | 0 | 0 | 0 | 121.2 | ||||
| 1542 | S | 24.7 | Very low | 29.1 | Very low | 102 Ų | 102 | 118.2 Ų | 118.2 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | 80.2 | 174.4 | 111.7 | -151.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1543 | V | 28.5 | Very low | 28.9 | Very low | 121 Ų | 121 | 116.1 Ų | 116.1 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | trans | 88.8 | 65.7 | 164.3 | -160.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1544 | D | 26.7 | Very low | 28.8 | Very low | 134 Ų | 134 | 121 Ų | 121 | 72% | 0.717 | 72% | 0.715 | S | S | * | * | 85.5 | 163 | 100.7 | -102.3 | -52.6 | 0 | 0 | 0 | 126.7 | |||||
| 1545 | L | 28.8 | Very low | 28.6 | Very low | 134 Ų | 134 | 124 Ų | 124 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | trans | 75.6 | 84.1 | 148.1 | -73.1 | 161.1 | 0 | 0 | 0 | 121.4 | ||||
| 1546 | T | 26.3 | Very low | 28.3 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 66% | 0.663 | 73% | 0.726 | S | S | * | * | 61.1 | 119 | 113.7 | 54.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1547 | N | 31.6 | Very low | 28.1 | Very low | 154 Ų | 154 | 128.2 Ų | 128.2 | 82% | 0.824 | 74% | 0.735 | S | S | * | * | 56.7 | 175.3 | 113.6 | -100.2 | 15.1 | 0 | 0 | 0 | 120.2 | |||||
| 1548 | P | 38 | Very low | 27.7 | Very low | 88 Ų | 88 | 130.6 Ų | 130.6 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | cis | -131.3 | -161.8 | -40.1 | 37.3 | -19.2 | 0 | 0 | 0 | 111.6 | ||||
| 1549 | D | 28 | Very low | 27.4 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | 38.5 | 128 | 142.7 | -57.8 | -34.9 | 0 | 0 | 0 | 121.6 | ||||
| 1550 | S | 27.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | -169.2 | 147.2 | 110.8 | -82.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1551 | Q | 33.7 | Very low | 27 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | trans | -95.5 | -120.6 | 172.9 | -54.3 | -177 | -77.1 | 0 | 0 | 109.9 | ||||
| 1552 | P | 34.6 | Very low | 26.8 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | -102 | 175.2 | -85.8 | 34 | -26.8 | 0 | 0 | 0 | 112.3 | |||||
| 1553 | G | 25.5 | Very low | 26.7 | Very low | 77 Ų | 77 | 128 Ų | 128 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -162.1 | 51.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1554 | E | 24.1 | Very low | 26.6 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | trans | 26.8 | 116 | 147.7 | -68.9 | 176.7 | 157.3 | 0 | 0 | 122.2 | ||||
| 1555 | E | 23.1 | Very low | 26.5 | Very low | 142 Ų | 142 | 120.9 Ų | 120.9 | 66% | 0.664 | 68% | 0.676 | S | S | * | * | 82 | 174.3 | 123 | -63.3 | -166.6 | 118.8 | 0 | 0 | 123.4 | |||||
| 1556 | Y | 23.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 119.6 Ų | 119.6 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | trans | 56.4 | 72.5 | 166.9 | -64.9 | -69.3 | 0 | 0 | 0 | 122 | ||||
| 1557 | M | 23.5 | Very low | 26.2 | Very low | 148 Ų | 148 | 117.1 Ų | 117.1 | 73% | 0.729 | 64% | 0.644 | S | S | * | * | 95 | 137.1 | 102.2 | -94 | -160.8 | 179.8 | 0 | 0 | 123.1 | |||||
| 1558 | T | 23 | Very low | 25.8 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | trans | 59.9 | 91.3 | 140.8 | 58.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1559 | S | 21.8 | Very low | 25 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | 100.6 | 159.3 | 94.6 | 81.4 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 1560 | H | 24.3 | Very low | 24.7 | Very low | 164 Ų | 164 | 118 Ų | 118 | 76% | 0.759 | 63% | 0.631 | S | S | * | * | trans | 58.7 | 94.1 | 146.4 | -66.4 | -49.3 | 0 | 0 | 0 | 122.1 | ||||
| 1561 | S | 22.5 | Very low | 24.6 | Very low | 108 Ų | 108 | 118.7 Ų | 118.7 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | 81.2 | 164.1 | 113.1 | 89.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1562 | S | 23.2 | Very low | 24.1 | Very low | 89 Ų | 89 | 113.5 Ų | 113.5 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | cis | -170.4 | 171.3 | -33.9 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1563 | N | 23.4 | Very low | 23.6 | Very low | 106 Ų | 106 | 111.9 Ų | 111.9 | 57% | 0.567 | 58% | 0.577 | S | S | * | * | trans | 79.7 | 156.3 | 148.5 | -82.6 | -65.1 | 0 | 0 | 0 | 120.8 | R2252 | N1563-R2252 PolarHBondContact O-NH1 2.95Š| ||
| 1564 | K | 26.9 | Very low | 23.6 | Very low | 98 Ų | 98 | 111.8 Ų | 111.8 | 43% | 0.426 | 56% | 0.561 | S | S | . | * | trans | 35.2 | 145.8 | 141.5 | -63.5 | 174.3 | -171.4 | -171.2 | 0 | 121.3 | R1460 N1461 I1462 R2252 | R1460-K1564 PolarHBondContact O-NZ 3.06Å; N1461-K1564 VanDerWaalsContact O-CB 3.31Å; N1461-K1564 WeakPolarHBondContact O-CB 3.47Å; N1461-K1564 VanDerWaalsContact O-CD 3.3Å; N1461-K1564 WeakPolarHBondContact O-CD 3.2Å; I1462-K1564 CarbonylContact O-C 3.55Å; K1564-R2252 VanDerWaalsContact C-NE 3.28Å; K1564-R2252 PolarHBondContact O-NH1 3.03Å | ||
| 1565 | S | 24 | Very low | 23.5 | Very low | 9 Ų | 9 | 109.3 Ų | 109.3 | 6% | 0.063 | 55% | 0.549 | C | S | . | . | cis | -148.6 | -119.5 | 1.1 | 122.5 | 0 | 0 | 0 | 0 | 115.7 | N1461 I1462 D1463 N2251 R2252 | N1461-S1565 VanDerWaalsContact O-CB 3.23Å; N1461-S1565 WeakPolarHBondContact O-CB 3.29Å; I1462-S1565 WeakPolarHBondContact CA-OG 3.41Å; I1462-S1565 PolarHBondContact N-OG 3.14Å; I1462-S1565 WeakPolarHBondContact O-CA 3.42Å; I1462-S1565 WeakPolarHBondContact O-CB 3.19Å; I1462-S1565 PolarHBondContact O-N 3.1Å; D1463-S1565 VanDerWaalsContact N-CB 3.31Å; D1463-S1565 PolarHBondContact N-OG 2.92Å; D1463-S1565 CarbonylContact O-C 3.55Å; D1463-S1565 PolarHBondContact O-N 3.28Å; S1565-N2251 VanDerWaalsContact CA-OD1 3.26Å; S1565-N2251 WeakPolarHBondContact CA-OD1 3.18Å; S1565-N2251 WeakPolarHBondContact CB-ND2 3.46Å; S1565-N2251 PolarHBondContact O-OD1 3.11Å; S1565-N2251 PolarHBondContact OG-ND2 3.46Å; S1565-R2252 VanDerWaalsContact N-NE 3.16Å; S1565-R2252 VanDerWaalsContact N-NH2 3.18Å; S1565-R2252 PolarHBondContact O-NE 3.29Å; S1565-R2252 PolarHBondContact O-NH2 2.97Å | ||
| 1566 | W | 24.4 | Very low | 23.6 | Very low | 107 Ų | 107 | 108 Ų | 108 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | trans | -130.5 | -178 | -161.4 | -112.3 | 43.9 | 0 | 0 | 0 | 110.2 | D1463 I1464 S2249 R2250 | D1463-W1566 CarbonylContact C-O 3.02Å; D1463-W1566 WeakPolarHBondContact CA-O 3.38Å; D1463-W1566 PolarHBondContact N-O 2.93Å; I1464-W1566 PolarHBondContact N-O 3.07Å; W1566-S2249 VanDerWaalsContact CZ3-CA 3.5Å; W1566-S2249 WeakPolarHBondContact CZ3-OG 2.96Å; W1566-R2250 HydrophobicContact CB-CG 3.85Å; W1566-R2250 HydrophobicContact CD2-CB 4.39Å; W1566-R2250 HydrophobicContact CD2-CG 3.82Å; W1566-R2250 VanDerWaalsContact CE2-N 3.26Å; W1566-R2250 HydrophobicContact CE3-CG 3.93Å; W1566-R2250 HydrophobicContact CG-CB 4.44Å; W1566-R2250 HydrophobicContact CG-CG 3.83Å; W1566-R2250 VanDerWaalsContact CZ2-N 3.31Å | ||
| 1567 | D | 24.5 | Very low | 23.7 | Very low | 56 Ų | 56 | 103.9 Ų | 103.9 | 30% | 0.299 | 53% | 0.533 | S | S | . | . | trans | 82.4 | 161.8 | 158.3 | -54.2 | -62 | 0 | 0 | 0 | 118.5 | R2250 | D1567-R2250 IonicContact OD2-CZ 3.12Å; D1567-R2250 IonicContact OD2-NE 2.78Å; D1567-R2250 PolarHBondContact OD2-NE 3.34Å; D1567-R2250 IonicContact OD2-NH2 2.66Å; D1567-R2250 PolarHBondContact OD2-NH2 2.57Å | ||
| 1568 | Q | 22.7 | Very low | 23.9 | Very low | 135 Ų | 135 | 100.3 Ų | 100.3 | 63% | 0.631 | 51% | 0.514 | S | S | * | . | trans | 55.2 | 120.8 | 179.5 | -93.1 | 47.5 | 48 | 0 | 0 | 116 | ||||
| 1569 | E | 22.5 | Very low | 24.3 | Very low | 132 Ų | 132 | 100.7 Ų | 100.7 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | 76.4 | 144.9 | 68.2 | -79.1 | -162.6 | 84.7 | 0 | 0 | 115.4 | |||||
| 1570 | Q | 22 | Very low | 24.5 | Very low | 138 Ų | 138 | 98.8 Ų | 98.8 | 65% | 0.645 | 49% | 0.492 | S | S | * | . | trans | 63 | 115.7 | 150.3 | -70.3 | -172.1 | 62 | 0 | 0 | 117.2 | ||||
| 1571 | R | 23.7 | Very low | 24.5 | Very low | 137 Ų | 137 | 96.4 Ų | 96.4 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | 69.5 | 106.8 | 85.6 | -74.2 | 179.2 | 171.1 | -152.6 | -20.6 | 113.4 | E1042 | E1042-R1571 VanDerWaalsContact CD-NH2 3.28Å; E1042-R1571 IonicContact OE1-CZ 3.37Å; E1042-R1571 IonicContact OE1-NE 2.82Å; E1042-R1571 PolarHBondContact OE1-NE 2.93Å; E1042-R1571 IonicContact OE1-NH1 3.32Å; E1042-R1571 IonicContact OE1-NH2 3.96Å; E1042-R1571 PolarHBondContact OE1-NH2 3.2Å; E1042-R1571 IonicContact OE2-CZ 3.12Å; E1042-R1571 IonicContact OE2-NE 3.17Å; E1042-R1571 IonicContact OE2-NH1 3.75Å; E1042-R1571 PolarHBondContact OE2-NH1 2.8Å; E1042-R1571 IonicContact OE2-NH2 3.46Å; E1042-R1571 PolarHBondContact OE2-NH2 2.92Å; E1042-R1571 VanDerWaalsContact OE2-NH2 3.12Å | |||
| 1572 | L | 23.5 | Very low | 24.7 | Very low | 77 Ų | 77 | 97.7 Ų | 97.7 | 40% | 0.403 | 48% | 0.479 | S | S | . | . | trans | 67.2 | 177.9 | 130.5 | -58 | 165 | 0 | 0 | 0 | 118.6 | P1041 E1042 | P1041-L1572 HydrophobicContact CB-CD1 3.93Å; P1041-L1572 HydrophobicContact CB-CD2 3.95Å; P1041-L1572 HydrophobicContact CB-CG 4.49Å; P1041-L1572 HydrophobicContact CG-CD1 3.87Å; E1042-L1572 HydrophobicContact CG-CD1 3.31Å; E1042-L1572 WeakPolarHBondContact OE1-CD1 3.36Å | ||
| 1573 | I | 24 | Very low | 25 | Very low | 89 Ų | 89 | 100.6 Ų | 100.6 | 46% | 0.456 | 48% | 0.48 | S | S | . | . | trans | 76.9 | 127.2 | 140.9 | -93.8 | 165.3 | 0 | 0 | 0 | 117 | H1040 P1041 | H1040-I1573 HydrophobicContact CB-CG1 4.1Å; H1040-I1573 PolarHBondContact CD2-N 2.82Å; H1040-I1573 VanDerWaalsContact CD2-N 3.25Å; H1040-I1573 PolarHBondContact NE2-N 2.88Å; P1041-I1573 HydrophobicContact CG-CD1 3.5Å; P1041-I1573 HydrophobicContact CG-CG1 3.82Å | ||
| 1574 | T | 25.3 | Very low | 25.2 | Very low | 75 Ų | 75 | 98.8 Ų | 98.8 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | trans | 47.8 | 174.9 | 161.6 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | K1039 | K1039-T1574 PolarHBondContact NZ-O 3.2Š| ||
| 1575 | E | 22 | Very low | 25.2 | Very low | 114 Ų | 114 | 97.6 Ų | 97.6 | 53% | 0.533 | 47% | 0.469 | S | S | . | . | cis | -71.1 | 143.5 | -2.9 | -95.3 | 59.2 | -92.9 | 0 | 0 | 115.7 | K1038 K1039 | K1038-E1575 WeakPolarHBondContact CD-O 3.37Å; K1038-E1575 WeakPolarHBondContact CE-O 3.32Å; K1038-E1575 PolarHBondContact NZ-O 3.37Å; K1039-E1575 PolarHBondContact NZ-O 3.07Å | ||
| 1576 | E | 25.6 | Very low | 25.5 | Very low | 115 Ų | 115 | 101.7 Ų | 101.7 | 54% | 0.537 | 49% | 0.49 | S | S | . | . | 82.3 | 111.5 | 127.8 | -76.2 | 164.5 | -173.8 | 0 | 0 | 122.3 | Q1037 K1038 | Q1037-E1576 PolarHBondContact OE1-O 2.89Å; K1038-E1576 WeakPolarHBondContact CD-O 3.37Å; K1038-E1576 WeakPolarHBondContact CE-O 3.21Å; K1038-E1576 PolarHBondContact NZ-O 3.19Å | |||
| 1577 | N | 25.2 | Very low | 25.7 | Very low | 85 Ų | 85 | 99.8 Ų | 99.8 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | trans | 86.9 | 91.7 | 137.3 | -52.4 | -3.8 | 0 | 0 | 0 | 113.9 | Q1037 | Q1037-N1577 WeakPolarHBondContact CB-O 3.45Å; Q1037-N1577 PolarHBondContact OE1-O 3.31Å | ||
| 1578 | H | 28.8 | Very low | 26 | Very low | 73 Ų | 73 | 101.8 Ų | 101.8 | 34% | 0.338 | 50% | 0.504 | S | S | . | . | 95.9 | 111.6 | 87.2 | -72.9 | -52.8 | 0 | 0 | 0 | 106.6 | E1580 | H1578-E1580 IonicContact CE1-OE2 3.84Å; H1578-E1580 PolarHBondContact CE1-OE2 3.06Å; H1578-E1580 IonicContact ND1-OE2 2.88Å; H1578-E1580 PolarHBondContact ND1-OE2 2.98Å; H1578-E1580 VanDerWaalsContact ND1-OE2 3.17Å | |||
| 1579 | L | 31 | Very low | 26.5 | Very low | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 50% | 0.504 | S | S | * | . | cis | -109.5 | 137 | 39.2 | -164.1 | 47.7 | 0 | 0 | 0 | 115.6 | ||||
| 1580 | E | 24.6 | Very low | 26.8 | Very low | 52 Ų | 52 | 102 Ų | 102 | 24% | 0.243 | 51% | 0.512 | C | S | . | . | trans | -54 | 160.2 | 166 | -70 | 147.7 | 91.1 | 0 | 0 | 112.8 | H1578 N2222 H2223 | H1578-E1580 IonicContact CE1-OE2 3.84Å; H1578-E1580 PolarHBondContact CE1-OE2 3.06Å; H1578-E1580 IonicContact ND1-OE2 2.88Å; H1578-E1580 PolarHBondContact ND1-OE2 2.98Å; H1578-E1580 VanDerWaalsContact ND1-OE2 3.17Å; E1580-N2222 VanDerWaalsContact OE2-CA 3.27Å; E1580-N2222 WeakPolarHBondContact OE2-CA 3.18Å; E1580-N2222 PolarHBondContact OE2-N 3.17Å; E1580-H2223 WeakPolarHBondContact OE1-CA 3.35Å; E1580-H2223 IonicContact OE1-CE1 3.7Å; E1580-H2223 IonicContact OE1-CG 3.96Å; E1580-H2223 PolarHBondContact OE1-N 3.43Å; E1580-H2223 IonicContact OE1-ND1 3.8Å; E1580-H2223 PolarHBondContact OE1-ND1 3.25Å | ||
| 1581 | D | 24.8 | Very low | 27.4 | Very low | 114 Ų | 114 | 101.4 Ų | 101.4 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | trans | 56.2 | 110.4 | 132.6 | -67.8 | 3 | 0 | 0 | 0 | 119.2 | ||||
| 1582 | H | 27.6 | Very low | 28.1 | Very low | 136 Ų | 136 | 100 Ų | 100 | 63% | 0.63 | 53% | 0.528 | S | S | * | . | 85.1 | 162.3 | 72.1 | -91.1 | -38.4 | 0 | 0 | 0 | 112.8 | |||||
| 1583 | K | 29.4 | Very low | 28.4 | Very low | 149 Ų | 149 | 100.5 Ų | 100.5 | 65% | 0.648 | 54% | 0.535 | S | S | * | . | trans | 10.2 | 128.7 | 137.7 | -38 | 151.1 | -176.7 | 145.4 | 0 | 113.6 | ||||
| 1584 | D | 26.5 | Very low | 28.6 | Very low | 69 Ų | 69 | 102.3 Ų | 102.3 | 37% | 0.369 | 55% | 0.545 | S | S | . | . | -144.4 | 162.4 | 70.1 | -97.4 | -16.4 | 0 | 0 | 0 | 113.4 | R2226 | D1584-R2226 PolarHBondContact OD2-N 2.73Š| |||
| 1585 | N | 28.1 | Very low | 28.4 | Very low | 72 Ų | 72 | 102.3 Ų | 102.3 | 39% | 0.385 | 54% | 0.54 | S | S | . | . | 22.9 | 152.5 | 120.6 | -31.4 | -36.6 | 0 | 0 | 0 | 116.9 | M603 R2226 | M603-N1585 CarbonylContact O-C 3.23Å; N1585-R2226 PolarHBondContact ND2-O 3.31Å | |||
| 1586 | N | 29.2 | Very low | 28.6 | Very low | 96 Ų | 96 | 99.8 Ų | 99.8 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | cis | -174.7 | 158.3 | 35.7 | -151.3 | -14.3 | 0 | 0 | 0 | 109.9 | M603 | M603-N1586 PolarHBondContact O-N 3.5Å; M603-N1586 VanDerWaalsContact O-N 3.14Å | ||
| 1587 | S | 30 | Very low | 28.6 | Very low | 66 Ų | 66 | 97.7 Ų | 97.7 | 46% | 0.462 | 53% | 0.528 | S | S | . | . | trans | 48.8 | 124.2 | 152.6 | 62.9 | 0 | 0 | 0 | 0 | 119 | E602 | E602-S1587 VanDerWaalsContact CD-CA 3.44Å; E602-S1587 VanDerWaalsContact OE1-C 3.28Å; E602-S1587 WeakPolarHBondContact OE1-CA 3.36Å; E602-S1587 PolarHBondContact OE1-N 3.41Å; E602-S1587 PolarHBondContact OE2-N 2.8Å | ||
| 1588 | N | 30.5 | Very low | 28.7 | Very low | 99 Ų | 99 | 98.5 Ų | 98.5 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | cis | -165.5 | -161.8 | 17.3 | -131.9 | -34 | 0 | 0 | 0 | 113.6 | E602 | E602-N1588 VanDerWaalsContact CD-N 3.35Å; E602-N1588 WeakPolarHBondContact OE1-CA 3Å; E602-N1588 PolarHBondContact OE1-N 3.36Å; E602-N1588 VanDerWaalsContact OE1-N 3.09Å; E602-N1588 PolarHBondContact OE2-N 2.75Å | ||
| 1589 | T | 32.2 | Very low | 28.5 | Very low | 102 Ų | 102 | 99.4 Ų | 99.4 | 63% | 0.626 | 55% | 0.55 | S | S | * | . | trans | -11.7 | 137.8 | 134.8 | -9.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1590 | Q | 28.7 | Very low | 28.3 | Very low | 170 Ų | 170 | 97.6 Ų | 97.6 | 79% | 0.794 | 54% | 0.544 | S | S | * | . | 176.4 | -174.9 | 53.9 | -161 | 163.6 | -5 | 0 | 0 | 109.1 | |||||
| 1591 | V | 35.8 | Very low | 28.5 | Very low | 125 Ų | 125 | 101.3 Ų | 101.3 | 76% | 0.758 | 57% | 0.565 | S | S | * | * | trans | 71.7 | 119.1 | 160 | -179.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1592 | C | 37.4 | Very low | 28.6 | Very low | 108 Ų | 108 | 100.6 Ų | 100.6 | 73% | 0.73 | 57% | 0.565 | S | S | * | * | trans | -84.6 | 154.5 | 152.7 | -56.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1593 | P | 30.4 | Very low | 28.6 | Very low | 87 Ų | 87 | 99.2 Ų | 99.2 | 57% | 0.565 | 56% | 0.562 | S | S | * | * | -101.8 | 154 | 81.3 | 30.7 | -36.2 | 0 | 0 | 0 | 113 | E1595 | P1593-E1595 HydrophobicContact CB-CB 4.28Å; P1593-E1595 HydrophobicContact CB-CG 4.03Å; P1593-E1595 WeakPolarHBondContact CB-OE1 3.4Å; P1593-E1595 WeakPolarHBondContact CB-OE2 3.09Å | |||
| 1594 | L | 27.5 | Very low | 28.7 | Very low | 126 Ų | 126 | 99.2 Ų | 99.2 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | cis | 68.3 | 169.3 | 37.7 | -150.7 | 64.4 | 0 | 0 | 0 | 109.8 | ||||
| 1595 | E | 21.9 | Very low | 28.8 | Very low | 76 Ų | 76 | 102.6 Ų | 102.6 | 36% | 0.355 | 58% | 0.579 | S | S | . | * | trans | 72.6 | 120.2 | 159.5 | -52.1 | 149.1 | -154.8 | 0 | 0 | 115.8 | P1593 L1717 T1718 | P1593-E1595 HydrophobicContact CB-CB 4.28Å; P1593-E1595 HydrophobicContact CB-CG 4.03Å; P1593-E1595 WeakPolarHBondContact CB-OE1 3.4Å; P1593-E1595 WeakPolarHBondContact CB-OE2 3.09Å; E1595-L1717 HydrophobicContact CG-CB 3.68Å; E1595-T1718 WeakPolarHBondContact CB-O 3.34Å | ||
| 1596 | D | 25.1 | Very low | 28.9 | Very low | 61 Ų | 61 | 105.2 Ų | 105.2 | 33% | 0.326 | 59% | 0.593 | S | S | . | * | cis | -166.3 | -151.9 | -2.9 | -159 | 2 | 0 | 0 | 0 | 110.3 | I1716 L1717 T1718 | D1596-I1716 VanDerWaalsContact OD1-CA 3.23Å; D1596-I1716 WeakPolarHBondContact OD1-CA 3.36Å; D1596-L1717 PolarHBondContact OD1-N 2.81Å; D1596-L1717 WeakPolarHBondContact OD2-CA 3.49Å; D1596-L1717 PolarHBondContact OD2-N 3.38Å; D1596-T1718 HydrophobicContact CB-CG2 4.48Å; D1596-T1718 PolarHBondContact OD2-N 2.88Å | ||
| 1597 | S | 26.8 | Very low | 28.8 | Very low | 71 Ų | 71 | 105.7 Ų | 105.7 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | cis | 64.2 | 160.1 | 0.5 | 119.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1598 | T | 25.8 | Very low | 28.4 | Very low | 101 Ų | 101 | 105.9 Ų | 105.9 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | cis | -143.2 | 176.3 | 8.5 | -8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1599 | C | 26.1 | Very low | 28.2 | Very low | 93 Ų | 93 | 102.3 Ų | 102.3 | 63% | 0.628 | 59% | 0.587 | S | S | * | * | trans | 56.3 | 95.9 | 149.5 | -70.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1600 | T | 26.9 | Very low | 28.1 | Very low | 77 Ų | 77 | 100.7 Ų | 100.7 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | 86.4 | 161.5 | 95.5 | 60 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1601 | D | 27 | Very low | 28.4 | Very low | 129 Ų | 129 | 96.3 Ų | 96.3 | 69% | 0.69 | 56% | 0.559 | S | S | * | * | trans | 71.6 | 130.1 | 151.4 | -76.4 | 4.8 | 0 | 0 | 0 | 117.7 | ||||
| 1602 | V | 27.6 | Very low | 28.2 | Very low | 99 Ų | 99 | 94.2 Ų | 94.2 | 60% | 0.6 | 55% | 0.547 | S | S | * | . | cis | -164.1 | 164.9 | -11.3 | 68.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1603 | D | 28.7 | Very low | 27.8 | Very low | 108 Ų | 108 | 92.2 Ų | 92.2 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | trans | 68.4 | 157.9 | 158 | -77.8 | -29.2 | 0 | 0 | 0 | 117.5 | ||||
| 1604 | K | 31.5 | Very low | 27.8 | Very low | 148 Ų | 148 | 90.5 Ų | 90.5 | 64% | 0.643 | 52% | 0.516 | S | S | * | . | cis | -152.4 | 130.7 | 3 | -122 | 147.2 | -169.3 | 130.8 | 0 | 108.7 | ||||
| 1605 | L | 28.6 | Very low | 27.8 | Very low | 140 Ų | 140 | 86.3 Ų | 86.3 | 73% | 0.733 | 50% | 0.496 | S | S | * | . | trans | 66.7 | 156.6 | 143.7 | -51 | 170.2 | 0 | 0 | 0 | 116.4 | ||||
| 1606 | N | 28.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 88 Ų | 88 | 68% | 0.684 | 51% | 0.505 | S | S | * | . | cis | -174.8 | 162.5 | -10.4 | -104.3 | 3 | 0 | 0 | 0 | 105.5 | ||||
| 1607 | T | 27.2 | Very low | 28.4 | Very low | 105 Ų | 105 | 88.7 Ų | 88.7 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | cis | -166.5 | 134.9 | -7.9 | 18.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1608 | C | 23.5 | Very low | 28.4 | Very low | 70 Ų | 70 | 89 Ų | 89 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | 55.8 | 129.7 | 93.1 | 175.2 | 0 | 0 | 0 | 0 | 114.1 | S2459 | C1608-S2459 PolarHBondContact SG-OG 3.12Š| |||
| 1609 | G | 26.2 | Very low | 28.5 | Very low | 24 Ų | 24 | 89.5 Ų | 89.5 | 25% | 0.247 | 50% | 0.499 | C | S | . | . | cis | 153.4 | -175.8 | -1 | 0 | 0 | 0 | 0 | 0 | 111.5 | E405 | E405-G1609 WeakPolarHBondContact OE2-CA 3.49Š| ||
| 1610 | Q | 29.5 | Very low | 28.7 | Very low | 68 Ų | 68 | 88.4 Ų | 88.4 | 32% | 0.318 | 50% | 0.503 | S | S | . | . | trans | 70.5 | 177.9 | 163.2 | -129.3 | 166.1 | 17.8 | 0 | 0 | 116.1 | S2459 N2460 H2461 | Q1610-S2459 VanDerWaalsContact CD-OG 3.27Å; Q1610-S2459 PolarHBondContact N-O 3.34Å; Q1610-S2459 VanDerWaalsContact NE2-CB 3.25Å; Q1610-S2459 VanDerWaalsContact OE1-CB 3.3Å; Q1610-S2459 PolarHBondContact OE1-OG 2.66Å; Q1610-N2460 VanDerWaalsContact CA-O 3.23Å; Q1610-N2460 WeakPolarHBondContact CA-O 3.41Å; Q1610-N2460 HydrophobicContact CG-CB 4.17Å; Q1610-N2460 PolarHBondContact N-O 3.35Å; Q1610-H2461 HydrophobicContact CG-CB 4.05Å; Q1610-H2461 PolarHBondContact NE2-CD2 2.72Å | ||
| 1611 | P | 34.1 | Very low | 28.7 | Very low | 79 Ų | 79 | 91.3 Ų | 91.3 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | -125.6 | -153.8 | -93.4 | 49.1 | -35.8 | 0 | 0 | 0 | 113 | H2461 | P1611-H2461 VanDerWaalsContact CA-O 3.31Å; P1611-H2461 WeakPolarHBondContact CA-O 3.32Å; P1611-H2461 HydrophobicContact CB-CB 3.58Å; P1611-H2461 WeakPolarHBondContact CB-O 3.41Å | |||
| 1612 | P | 31.9 | Very low | 28.5 | Very low | 80 Ų | 80 | 91.6 Ų | 91.6 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | cis | -136.9 | -156.1 | -7.3 | 46.3 | -26.7 | 0 | 0 | 0 | 112.8 | T2462 | P1612-T2462 CarbonylContact C-O 3.47Š| ||
| 1613 | D | 29.9 | Very low | 28.5 | Very low | 66 Ų | 66 | 95.4 Ų | 95.4 | 35% | 0.353 | 53% | 0.531 | S | S | . | . | cis | -162.3 | 151 | -5.2 | -138.5 | 17.8 | 0 | 0 | 0 | 110.1 | N1151 F1152 T2462 S2463 | N1151-D1613 CarbonylContact C-O 3.2Å; F1152-D1613 VanDerWaalsContact CA-O 3.29Å; F1152-D1613 WeakPolarHBondContact CA-O 3.14Å; F1152-D1613 WeakPolarHBondContact CB-O 3.29Å; F1152-D1613 PolarHBondContact N-O 3.28Å; D1613-T2462 PolarHBondContact N-O 3.27Å; D1613-S2463 WeakPolarHBondContact OD1-CB 3.48Å; D1613-S2463 PolarHBondContact OD1-OG 2.99Å | ||
| 1614 | L | 29.9 | Very low | 28.3 | Very low | 52 Ų | 52 | 95.1 Ų | 95.1 | 27% | 0.272 | 54% | 0.537 | S | S | . | . | trans | 84.2 | 88.5 | 151.3 | -58.7 | 173.7 | 0 | 0 | 0 | 128 | N1151 F1152 S2463 V2464 V2465 | N1151-L1614 CarbonylContact C-O 2.99Å; N1151-L1614 VanDerWaalsContact O-CB 3.31Å; N1151-L1614 WeakPolarHBondContact O-CB 3.36Å; F1152-L1614 VanDerWaalsContact N-C 3.29Å; F1152-L1614 PolarHBondContact N-O 3.22Å; L1614-S2463 CarbonylContact C-O 2.98Å; L1614-S2463 WeakPolarHBondContact CA-O 3.29Å; L1614-S2463 PolarHBondContact N-O 3.36Å; L1614-V2464 HydrophobicContact CD2-CB 3.88Å; L1614-V2464 HydrophobicContact CD2-CG1 3.88Å; L1614-V2465 VanDerWaalsContact C-CB 3.49Å; L1614-V2465 VanDerWaalsContact C-N 3.29Å; L1614-V2465 VanDerWaalsContact CA-N 3.26Å; L1614-V2465 HydrophobicContact CB-CB 3.62Å; L1614-V2465 HydrophobicContact CB-CG2 3.58Å; L1614-V2465 HydrophobicContact CD1-CG2 4.05Å; L1614-V2465 HydrophobicContact CD2-CB 4.31Å; L1614-V2465 HydrophobicContact CD2-CG2 3.95Å; L1614-V2465 HydrophobicContact CG-CB 4.41Å; L1614-V2465 HydrophobicContact CG-CG2 3.99Å; L1614-V2465 WeakPolarHBondContact O-CB 3.29Å | ||
| 1615 | C | 27.2 | Very low | 28.1 | Very low | 37 Ų | 37 | 95.4 Ų | 95.4 | 25% | 0.25 | 54% | 0.544 | C | S | . | . | trans | 178.8 | 163.2 | 151.7 | -99.6 | 0 | 0 | 0 | 0 | 111.8 | N1153 H1154 S2463 V2464 | N1153-C1615 CarbonylContact C-O 3.49Å; N1153-C1615 VanDerWaalsContact CA-O 3.27Å; N1153-C1615 WeakPolarHBondContact CA-O 3.2Å; H1154-C1615 PolarHBondContact N-O 2.79Å; C1615-S2463 PolarHBondContact N-O 3.35Å; C1615-V2464 CarbonylContact C-O 3.55Å; C1615-V2464 WeakPolarHBondContact CA-O 2.98Å; C1615-V2464 PolarHBondContact N-O 2.96Å; C1615-V2464 PolarHBondContact O-N 3.27Å | ||
| 1616 | M | 31 | Very low | 28 | Very low | 112 Ų | 112 | 92.4 Ų | 92.4 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | cis | 61.8 | 164.2 | -22.7 | -78.6 | -59.7 | 114.3 | 0 | 0 | 123.4 | V2464 V2465 | M1616-V2464 WeakPolarHBondContact CB-O 2.98Å; M1616-V2464 PolarHBondContact N-O 3.12Å; M1616-V2465 WeakPolarHBondContact CB-O 3.45Å | ||
| 1617 | T | 27.9 | Very low | 27.8 | Very low | 76 Ų | 76 | 91.4 Ų | 91.4 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | cis | -152.4 | 172.6 | 6.9 | 22.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1618 | Q | 27 | Very low | 27.7 | Very low | 77 Ų | 77 | 87.5 Ų | 87.5 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | cis | -157.6 | -115.3 | -21.5 | -176.2 | 136.4 | -120 | 0 | 0 | 115.3 | N1271 N1272 | N1271-Q1618 VanDerWaalsContact O-CG 3.25Å; N1271-Q1618 WeakPolarHBondContact O-CG 3.43Å; N1271-Q1618 PolarHBondContact O-NE2 3.01Å; N1272-Q1618 PolarHBondContact O-NE2 3.29Å | ||
| 1619 | K | 27.9 | Very low | 27.7 | Very low | 111 Ų | 111 | 88.9 Ų | 88.9 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | trans | -149.7 | 174.5 | -155.5 | -70.9 | 153.7 | -170.5 | 149.8 | 0 | 115.6 | S1270 | S1270-K1619 WeakPolarHBondContact O-CD 3.06Å; S1270-K1619 WeakPolarHBondContact O-CE 3.36Å; S1270-K1619 PolarHBondContact O-NZ 2.73Å | ||
| 1620 | G | 30 | Very low | 27.5 | Very low | 70 Ų | 70 | 94 Ų | 94 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | cis | 139.2 | 120.4 | -8.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1621 | T | 27.1 | Very low | 27.3 | Very low | 139 Ų | 139 | 99.2 Ų | 99.2 | 85% | 0.853 | 54% | 0.539 | S | S | * | . | trans | -164.5 | 155.7 | 176.4 | 47.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1622 | L | 24.7 | Very low | 26.8 | Very low | 135 Ų | 135 | 101.4 Ų | 101.4 | 71% | 0.707 | 55% | 0.553 | S | S | * | * | cis | -161.1 | 131 | -30.3 | -137.7 | 88.6 | 0 | 0 | 0 | 103.4 | ||||
| 1623 | F | 26.9 | Very low | 26.4 | Very low | 179 Ų | 179 | 107.7 Ų | 107.7 | 79% | 0.785 | 57% | 0.567 | S | S | * | * | -173.6 | 145.6 | 82.3 | -113.4 | -80 | 0 | 0 | 0 | 109.7 | |||||
| 1624 | S | 24.8 | Very low | 26 | Very low | 101 Ų | 101 | 113.2 Ų | 113.2 | 71% | 0.706 | 59% | 0.588 | S | S | * | * | trans | -117.2 | 129.8 | 161.6 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1625 | I | 27.6 | Very low | 25.7 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 79% | 0.79 | 61% | 0.61 | S | S | * | * | trans | -113.6 | 123.8 | 159.4 | -67.1 | -178 | 0 | 0 | 0 | 106.4 | ||||
| 1626 | K | 25.2 | Very low | 25.4 | Very low | 78 Ų | 78 | 122.4 Ų | 122.4 | 34% | 0.339 | 63% | 0.63 | S | S | . | * | trans | -66.3 | -171.5 | 179.8 | -79.5 | 178.9 | 129.7 | 74.5 | 0 | 111.7 | V1264 I1265 N1266 | V1264-K1626 WeakPolarHBondContact O-CE 3.06Å; V1264-K1626 PolarHBondContact O-NZ 2.79Å; I1265-K1626 HydrophobicContact CD1-CD 4.4Å; I1265-K1626 HydrophobicContact CG1-CD 3.69Å; N1266-K1626 WeakPolarHBondContact OD1-CD 3.42Å; N1266-K1626 WeakPolarHBondContact OD1-CE 3.18Å; N1266-K1626 PolarHBondContact OD1-NZ 3.32Å | ||
| 1627 | E | 25.1 | Very low | 25 | Very low | 106 Ų | 106 | 125 Ų | 125 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | trans | -34.6 | 174.6 | 165.8 | -48.7 | 171.5 | 85.9 | 0 | 0 | 114.9 | S1163 | S1163-E1627 PolarHBondContact OG-OE2 2.86Š| ||
| 1628 | C | 24 | Very low | 24.7 | Very low | 24 Ų | 24 | 125.6 Ų | 125.6 | 16% | 0.162 | 65% | 0.647 | C | S | . | * | 180 | 166.5 | 108.7 | -91.3 | 0 | 0 | 0 | 0 | 116.5 | P1164 T1165 K1166 | P1164-C1628 WeakPolarHBondContact CB-SG 3.47Å; T1165-C1628 WeakPolarHBondContact CA-SG 3.14Å; T1165-C1628 HydrophobicContact CG2-CB 4.1Å; T1165-C1628 PolarHBondContact N-SG 2.78Å; K1166-C1628 HydrophobicContact CB-CB 3.77Å; K1166-C1628 HydrophobicContact CD-CB 4.33Å; K1166-C1628 WeakPolarHBondContact CD-O 3.16Å; K1166-C1628 WeakPolarHBondContact CE-O 3.36Å; K1166-C1628 HydrophobicContact CG-CB 4.08Å; K1166-C1628 PolarHBondContact NZ-O 2.66Å | |||
| 1629 | L | 23 | Very low | 24.5 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 51% | 0.513 | 67% | 0.665 | S | S | . | * | trans | -87.4 | -168.9 | -175.1 | -53 | 106.3 | 0 | 0 | 0 | 113.4 | P1164 T1165 | P1164-L1629 HydrophobicContact CB-CD1 4.19Å; P1164-L1629 HydrophobicContact CG-CD1 3.9Å; T1165-L1629 HydrophobicContact CG2-CB 4.15Å; T1165-L1629 HydrophobicContact CG2-CD1 4.28Å | ||
| 1630 | N | 23.7 | Very low | 24.3 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 71% | 0.711 | 68% | 0.677 | S | S | * | * | trans | 76.6 | 99.5 | 167.9 | -66 | -24.6 | 0 | 0 | 0 | 118.9 | ||||
| 1631 | K | 24.6 | Very low | 24 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | trans | -53 | 131.9 | 162.4 | -55.2 | 136.3 | 177.9 | 159.6 | 0 | 111.7 | R1633 | K1631-R1633 PolarHBondContact O-N 3.35Š| ||
| 1632 | P | 22.5 | Very low | 23.9 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 67% | 0.67 | S | S | * | * | trans | -72.7 | 105.6 | 143.5 | 29.7 | -30.2 | 0 | 0 | 0 | 108.6 | F1634 | P1632-F1634 PolarHBondContact O-N 3.36Š| ||
| 1633 | R | 24.4 | Very low | 23.9 | Very low | 213 Ų | 213 | 132.1 Ų | 132.1 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -90.9 | 64.2 | -175.3 | -151.3 | -173.6 | -171.1 | -177.3 | 1.6 | 111.3 | K1631 | K1631-R1633 PolarHBondContact O-N 3.35Š| ||
| 1634 | F | 22.6 | Very low | 23.9 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | trans | -126.3 | 107.6 | 170.6 | -71 | -82 | 0 | 0 | 0 | 109.6 | P1632 | P1632-F1634 PolarHBondContact O-N 3.36Š| ||
| 1635 | K | 21.6 | Very low | 24 | Very low | 171 Ų | 171 | 130.1 Ų | 130.1 | 74% | 0.743 | 67% | 0.667 | S | S | * | * | 80.3 | 111.6 | 68.7 | -85.3 | -164.9 | 171 | -176.5 | 0 | 113.6 | |||||
| 1636 | V | 22 | Very low | 24.1 | Very low | 110 Ų | 110 | 127 Ų | 127 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | 77.7 | 113.9 | 128.4 | 177.2 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1637 | Q | 22.1 | Very low | 24.3 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | 75.4 | 136.4 | 148.9 | -77.1 | 174.6 | -76 | 0 | 0 | 121.5 | ||||
| 1638 | C | 21.5 | Very low | 24.4 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | trans | 65.9 | 120.5 | 132.6 | -69.1 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1639 | N | 23 | Very low | 24.6 | Very low | 136 Ų | 136 | 131.6 Ų | 131.6 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | 72.9 | 126.1 | 124.2 | -58.2 | 3.6 | 0 | 0 | 0 | 120.4 | |||||
| 1640 | H | 23.5 | Very low | 25 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.745 | 66% | 0.662 | S | S | * | * | trans | 78.5 | 127.5 | 139.3 | -83.9 | -59.7 | 0 | 0 | 0 | 121.4 | ||||
| 1641 | L | 23.7 | Very low | 25.2 | Very low | 131 Ų | 131 | 127.9 Ų | 127.9 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | trans | 80 | 127.2 | 140.5 | -64.1 | 164.7 | 0 | 0 | 0 | 119.8 | ||||
| 1642 | N | 25.1 | Very low | 25.5 | Very low | 139 Ų | 139 | 125.3 Ų | 125.3 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | 35.9 | 143.8 | 117.6 | -48.4 | 9.3 | 0 | 0 | 0 | 118 | |||||
| 1643 | S | 25.1 | Very low | 25.8 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 64% | 0.638 | S | S | * | * | cis | -160.8 | 139.2 | 37.5 | -167.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1644 | I | 27.7 | Very low | 26 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 67% | 0.672 | 64% | 0.635 | S | S | * | * | trans | -22.1 | 145.1 | 137 | -61.2 | 150.6 | 0 | 0 | 0 | 115 | ||||
| 1645 | S | 26.9 | Very low | 26.3 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | trans | 173.7 | 151 | 134.2 | 47.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1646 | S | 28.4 | Very low | 26.8 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 62% | 0.615 | 63% | 0.629 | S | S | * | * | cis | -177.2 | 178.7 | -7.7 | -103.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1647 | Q | 29.9 | Very low | 27.1 | Very low | 128 Ų | 128 | 119 Ų | 119 | 60% | 0.598 | 63% | 0.626 | S | S | * | * | cis | -165.2 | -176.8 | 4.9 | -119.6 | 154.1 | 49.1 | 0 | 0 | 108.8 | ||||
| 1648 | R | 27.2 | Very low | 27.5 | Very low | 112 Ų | 112 | 117.8 Ų | 117.8 | 42% | 0.423 | 62% | 0.624 | S | S | . | * | cis | -142.5 | 152.3 | 20 | -102 | 104.8 | -159.6 | -84.9 | -19.8 | 110.1 | L2140 E2141 H2142 | R1648-L2140 PolarHBondContact NH1-O 3.18Å; R1648-E2141 PolarHBondContact NH1-O 2.81Å; R1648-H2142 PolarHBondContact NH2-O 2.88Å | ||
| 1649 | R | 28.5 | Very low | 27.9 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 24% | 0.242 | 64% | 0.635 | C | S | . | * | cis | 79.8 | 117.9 | 43.8 | 163.5 | -78.8 | -126.8 | 162.5 | 5.7 | 115.8 | V1651 D1799 L2140 E2141 H2142 | R1649-V1651 HydrophobicContact CG-CG2 4.32Å; R1649-D1799 VanDerWaalsContact CA-CG 3.46Å; R1649-D1799 VanDerWaalsContact CA-OD2 3.24Å; R1649-D1799 WeakPolarHBondContact CA-OD2 3.5Å; R1649-D1799 VanDerWaalsContact N-CG 3.28Å; R1649-D1799 PolarHBondContact N-OD1 3.23Å; R1649-D1799 PolarHBondContact N-OD2 2.84Å; R1649-L2140 PolarHBondContact NH1-O 2.83Å; R1649-E2141 PolarHBondContact NH2-O 3.05Å; R1649-H2142 PolarHBondContact NH2-O 3.17Å | ||
| 1650 | H | 31.3 | Very low | 28.2 | Very low | 67 Ų | 67 | 119.4 Ų | 119.4 | 31% | 0.31 | 63% | 0.633 | S | S | . | * | trans | -163.2 | 58 | 139.4 | -106.8 | -62 | 0 | 0 | 0 | 120.7 | R1797 K1798 D1799 | H1650-R1797 HydrophobicContact CB-CG 4.5Å; H1650-K1798 WeakPolarHBondContact O-CG 3.5Å; H1650-D1799 PolarHBondContact N-OD2 3.14Å | ||
| 1651 | V | 28.3 | Very low | 28.4 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 52% | 0.521 | 64% | 0.636 | S | S | . | * | trans | 58.7 | 142.3 | 135.7 | -135.3 | 0 | 0 | 0 | 0 | 126.9 | R1649 K1798 | R1649-V1651 HydrophobicContact CG-CG2 4.32Å; V1651-K1798 WeakPolarHBondContact O-CD 3.14Å; V1651-K1798 WeakPolarHBondContact O-CE 3.38Å; V1651-K1798 PolarHBondContact O-NZ 3.29Å | ||
| 1652 | I | 29.4 | Very low | 28.5 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 63% | 0.631 | 63% | 0.628 | S | S | * | * | trans | 86 | 142.7 | 162.9 | -53.2 | 176 | 0 | 0 | 0 | 117.8 | K1798 | I1652-K1798 PolarHBondContact O-NZ 3.24Š| ||
| 1653 | G | 30 | Very low | 28.7 | Very low | 62 Ų | 62 | 112.3 Ų | 112.3 | 64% | 0.639 | 61% | 0.609 | S | S | * | * | cis | 156.2 | 175.6 | 0.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1654 | E | 28.6 | Very low | 28.9 | Very low | 158 Ų | 158 | 112.9 Ų | 112.9 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | cis | -178.9 | 153.7 | -16.8 | -92 | 132.7 | 46.8 | 0 | 0 | 113.8 | ||||
| 1655 | Y | 29 | Very low | 29.1 | Very low | 205 Ų | 205 | 113.7 Ų | 113.7 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | 69.8 | 166.9 | 162.2 | -89.4 | -115.6 | 0 | 0 | 0 | 123.7 | ||||
| 1656 | E | 30.7 | Very low | 29.2 | Very low | 130 Ų | 130 | 114.6 Ų | 114.6 | 61% | 0.607 | 60% | 0.595 | S | S | * | * | cis | -172.5 | 170.1 | -43.6 | -158.3 | -173.8 | -128.7 | 0 | 0 | 114.7 | ||||
| 1657 | N | 29.6 | Very low | 29.2 | Very low | 112 Ų | 112 | 116.4 Ų | 116.4 | 60% | 0.599 | 60% | 0.598 | S | S | * | * | trans | 79.7 | 153.1 | 161.3 | -64.5 | -50.3 | 0 | 0 | 0 | 124.1 | ||||
| 1658 | L | 30.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 118.9 Ų | 118.9 | 75% | 0.754 | 61% | 0.607 | S | S | * | * | cis | -169.5 | 168.7 | -43.1 | -118 | -176.7 | 0 | 0 | 0 | 116.2 | ||||
| 1659 | E | 29.6 | Very low | 29.3 | Very low | 174 Ų | 174 | 118.8 Ų | 118.8 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | trans | 71.7 | 161.3 | 157.2 | -71.5 | -169.2 | -173.2 | 0 | 0 | 125.6 | ||||
| 1660 | A | 29.7 | Very low | 29.4 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | cis | -172.2 | -168.6 | -21.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1661 | I | 26.9 | Very low | 29.3 | Very low | 158 Ų | 158 | 129 Ų | 129 | 81% | 0.81 | 66% | 0.662 | S | S | * | * | trans | 81.8 | 155.8 | 161.6 | -81.8 | 172.7 | 0 | 0 | 0 | 122.8 | I765 | I765-I1661 CarbonylContact O-C 3.57Š| ||
| 1662 | S | 27.1 | Very low | 29.5 | Very low | 74 Ų | 74 | 130.1 Ų | 130.1 | 52% | 0.517 | 67% | 0.671 | S | S | . | * | cis | -163.3 | 105 | -36.1 | -161.7 | 0 | 0 | 0 | 0 | 121.9 | I765 | I765-S1662 VanDerWaalsContact CG2-CA 3.49Å; I765-S1662 CarbonylContact O-C 3.58Å; I765-S1662 WeakPolarHBondContact O-CA 3.35Å; I765-S1662 PolarHBondContact O-N 3.36Å | ||
| 1663 | C | 28.6 | Very low | 29.5 | Very low | 51 Ų | 51 | 130.3 Ų | 130.3 | 35% | 0.345 | 67% | 0.674 | S | S | . | * | trans | 66.1 | 161.6 | 136.1 | -102.6 | 0 | 0 | 0 | 0 | 127.3 | I765 P767 | I765-C1663 VanDerWaalsContact C-N 3.3Å; I765-C1663 HydrophobicContact CG2-CB 3.38Å; I765-C1663 WeakPolarHBondContact CG2-SG 3.48Å; I765-C1663 PolarHBondContact O-N 2.93Å; P767-C1663 WeakPolarHBondContact CD-O 3.41Å; P767-C1663 VanDerWaalsContact CG-O 3.3Å; P767-C1663 WeakPolarHBondContact CG-O 3.3Å | ||
| 1664 | E | 28.2 | Very low | 29.4 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 53% | 0.533 | 68% | 0.677 | S | S | . | * | cis | -171 | 179.6 | 19.1 | -139.8 | -172.5 | 152.7 | 0 | 0 | 116.2 | ||||
| 1665 | K | 32.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 64% | 0.643 | 68% | 0.677 | S | S | * | * | trans | 64.8 | 160.2 | 148.9 | -79 | 163.7 | 176.2 | 135.6 | 0 | 120.3 | ||||
| 1666 | N | 29.7 | Very low | 29.3 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 67% | 0.674 | 68% | 0.676 | S | S | * | * | cis | -167.8 | 173.9 | 0.7 | -112.3 | -18.4 | 0 | 0 | 0 | 108.3 | ||||
| 1667 | N | 28.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | cis | -174.9 | 170.6 | -31.7 | -148.4 | -56.1 | 0 | 0 | 0 | 111.1 | ||||
| 1668 | K | 30 | Very low | 29.2 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 78% | 0.778 | 69% | 0.692 | S | S | * | * | trans | 69.5 | 142.2 | 164.5 | -55.5 | 174.7 | -176.2 | -177.5 | 0 | 119.4 | ||||
| 1669 | N | 28.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | cis | -164.4 | 169.4 | -10.5 | -96.4 | 6.9 | 0 | 0 | 0 | 105.9 | ||||
| 1670 | Y | 30.2 | Very low | 29.1 | Very low | 194 Ų | 194 | 131.5 Ų | 131.5 | 76% | 0.761 | 69% | 0.686 | S | S | * | * | cis | -138.1 | 173.7 | 5.3 | -79.8 | -61 | 0 | 0 | 0 | 107.7 | ||||
| 1671 | L | 29.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | cis | 58.8 | 149.1 | 48.8 | -78.4 | 173.4 | 0 | 0 | 0 | 116 | ||||
| 1672 | P | 33.2 | Very low | 29.4 | Very low | 109 Ų | 109 | 133.8 Ų | 133.8 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | cis | -122.9 | -159 | -12.8 | 45.9 | -30.4 | 0 | 0 | 0 | 111.4 | ||||
| 1673 | D | 28.4 | Very low | 29.8 | Very low | 127 Ų | 127 | 138 Ų | 138 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | cis | -149.4 | -145.5 | -5.6 | -150.7 | -93.3 | 0 | 0 | 0 | 112.7 | ||||
| 1674 | Q | 28.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 70% | 0.701 | 71% | 0.711 | S | S | * | * | trans | -131.2 | -155.3 | -155.9 | -50.6 | 159.7 | 97.8 | 0 | 0 | 113.6 | ||||
| 1675 | L | 26.4 | Very low | 29.8 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | cis | -148.9 | -97.1 | 6.3 | -139.8 | 171.1 | 0 | 0 | 0 | 116.4 | ||||
| 1676 | C | 28.8 | Very low | 29.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | trans | -156.5 | -173.7 | -164.4 | -90 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1677 | R | 29.2 | Very low | 29.6 | Very low | 239 Ų | 239 | 140.5 Ų | 140.5 | 90% | 0.902 | 72% | 0.717 | S | S | * | * | cis | -144.1 | -132.1 | 13.4 | -148.3 | 175.1 | -163.1 | 176.6 | 5.6 | 115.4 | ||||
| 1678 | S | 29.1 | Very low | 29.4 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 64% | 0.636 | 72% | 0.717 | S | S | * | * | trans | -162.8 | 169.2 | -161.5 | 63.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1679 | T | 29.2 | Very low | 29.4 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | trans | 70 | 160.6 | 155.2 | 38.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1680 | H | 30.1 | Very low | 29.4 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | cis | -142.1 | -153 | 14.1 | -135.3 | -66.5 | 0 | 0 | 0 | 114.3 | ||||
| 1681 | E | 30.2 | Very low | 29.4 | Very low | 137 Ų | 137 | 134 Ų | 134 | 64% | 0.64 | 70% | 0.697 | S | S | * | * | trans | -123.6 | 165.2 | -163.1 | -54.3 | 154.1 | 111.4 | 0 | 0 | 113.8 | ||||
| 1682 | H | 32.7 | Very low | 29.6 | Very low | 152 Ų | 152 | 129.9 Ų | 129.9 | 70% | 0.704 | 68% | 0.676 | S | S | * | * | 169.4 | 172.1 | 112.5 | -101.2 | -68.8 | 0 | 0 | 0 | 115.6 | |||||
| 1683 | H | 34.1 | Very low | 29.2 | Very low | 163 Ų | 163 | 128 Ų | 128 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | trans | 68 | 148.6 | 162.6 | -66.1 | -60 | 0 | 0 | 0 | 119 | ||||
| 1684 | D | 28.8 | Very low | 29.3 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 78% | 0.781 | 66% | 0.664 | S | S | * | * | cis | -162.9 | 176.1 | -34 | -136.2 | -37.4 | 0 | 0 | 0 | 109.8 | ||||
| 1685 | G | 28.4 | Very low | 29.2 | Very low | 50 Ų | 50 | 127.4 Ų | 127.4 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | trans | 95.4 | 116 | 145 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1686 | N | 28.3 | Very low | 29.1 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | 73.5 | 120.2 | 122.8 | -65.9 | -1.1 | 0 | 0 | 0 | 123.3 | |||||
| 1687 | H | 29.4 | Very low | 28.9 | Very low | 150 Ų | 150 | 128 Ų | 128 | 69% | 0.694 | 65% | 0.649 | S | S | * | * | 69.9 | 147.6 | 127.7 | -79.2 | -101.6 | 0 | 0 | 0 | 120.3 | |||||
| 1688 | F | 25.7 | Very low | 28.5 | Very low | 153 Ų | 153 | 122.5 Ų | 122.5 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | cis | -172.4 | 153.7 | -23.8 | -142 | -136.8 | 0 | 0 | 0 | 108.4 | ||||
| 1689 | I | 28.3 | Very low | 28.1 | Very low | 132 Ų | 132 | 122.5 Ų | 122.5 | 68% | 0.677 | 64% | 0.642 | S | S | * | * | trans | 63.7 | 164.2 | 170.4 | -26 | 146.1 | 0 | 0 | 0 | 109.7 | ||||
| 1690 | S | 27.9 | Very low | 27.7 | Very low | 72 Ų | 72 | 121.3 Ų | 121.3 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | cis | -144.5 | 148 | 8.9 | -30.5 | 0 | 0 | 0 | 0 | 110.3 | K581 | K581-S1690 PolarHBondContact NZ-O 2.97Š| ||
| 1691 | H | 30.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 123.2 Ų | 123.2 | 53% | 0.532 | 64% | 0.644 | S | S | . | * | 21.1 | 132.1 | 119 | -51.9 | -63.6 | 0 | 0 | 0 | 117.6 | K581 S1693 | K581-H1691 PolarHBondContact NZ-O 3.44Å; H1691-S1693 WeakPolarHBondContact CA-OG 3.42Å; H1691-S1693 PolarHBondContact ND1-OG 3.19Å | |||
| 1692 | D | 34.7 | Very low | 27 | Very low | 66 Ų | 66 | 122 Ų | 122 | 35% | 0.353 | 64% | 0.642 | S | S | . | * | cis | -123.7 | 142.1 | 18.4 | -55.7 | -79.1 | 0 | 0 | 0 | 110.1 | R583 | R583-D1692 WeakPolarHBondContact CB-OD2 3.43Å; R583-D1692 WeakPolarHBondContact CD-OD2 3.11Å; R583-D1692 HydrophobicContact CG-CB 4.4Å; R583-D1692 WeakPolarHBondContact CG-OD2 3.44Å; R583-D1692 IonicContact CZ-OD1 2.68Å; R583-D1692 IonicContact CZ-OD2 3.57Å; R583-D1692 IonicContact NE-OD2 2.79Å; R583-D1692 IonicContact NH1-OD1 3.41Å; R583-D1692 PolarHBondContact NH1-OD1 2.63Å; R583-D1692 IonicContact NH1-OD2 3.72Å; R583-D1692 PolarHBondContact NH1-OD2 2.81Å | ||
| 1693 | S | 25 | Very low | 26.6 | Very low | 68 Ų | 68 | 120.7 Ų | 120.7 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | cis | 50.4 | 115.3 | 10.3 | 33.9 | 0 | 0 | 0 | 0 | 117.7 | H1691 | H1691-S1693 WeakPolarHBondContact CA-OG 3.42Å; H1691-S1693 PolarHBondContact ND1-OG 3.19Å | ||
| 1694 | Q | 29.7 | Very low | 26 | Very low | 141 Ų | 141 | 119.4 Ų | 119.4 | 66% | 0.659 | 64% | 0.642 | S | S | * | * | trans | 74.4 | 158.1 | 156.8 | -71.2 | -174.9 | -1.2 | 0 | 0 | 114.6 | Q1696 | Q1694-Q1696 HydrophobicContact CB-CB 4.23Å; Q1694-Q1696 HydrophobicContact CB-CG 3.72Å; Q1694-Q1696 VanDerWaalsContact CB-N 3.33Å | ||
| 1695 | P | 26.6 | Very low | 25.7 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 64% | 0.636 | S | S | * | * | -77.5 | 140.1 | 54.2 | 24.1 | -34.9 | 0 | 0 | 0 | 114.9 | |||||
| 1696 | Q | 24.1 | Very low | 25.3 | Very low | 81 Ų | 81 | 119 Ų | 119 | 38% | 0.379 | 64% | 0.642 | S | S | . | * | cis | 106.7 | 148.4 | 14.1 | -82.1 | -177.2 | 19.2 | 0 | 0 | 108.8 | Q1694 | Q1694-Q1696 HydrophobicContact CB-CB 4.23Å; Q1694-Q1696 HydrophobicContact CB-CG 3.72Å; Q1694-Q1696 VanDerWaalsContact CB-N 3.33Å | ||
| 1697 | R | 24.7 | Very low | 24.9 | Very low | 191 Ų | 191 | 116.7 Ų | 116.7 | 72% | 0.721 | 64% | 0.637 | S | S | * | * | trans | 72.4 | 119.5 | 172.4 | -61.8 | 128.5 | -164.8 | -93.4 | -5.9 | 111.4 | ||||
| 1698 | T | 21.2 | Very low | 24.7 | Very low | 122 Ų | 122 | 116 Ų | 116 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | cis | 57.8 | 161.8 | 47.2 | 85.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1699 | S | 20 | Very low | 24.7 | Very low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | trans | 53.5 | 97.1 | -166.5 | 44.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1700 | S | 21 | Very low | 24.6 | Very low | 93 Ų | 93 | 112.7 Ų | 112.7 | 65% | 0.65 | 64% | 0.639 | S | S | * | * | 48 | 76.2 | 74.4 | 84.9 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1701 | K | 23.8 | Very low | 24.5 | Very low | 194 Ų | 194 | 113.8 Ų | 113.8 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | -121.6 | 134.1 | 108.8 | -90.2 | 129.7 | -176.1 | -170.4 | 0 | 107.2 | |||||
| 1702 | N | 22.9 | Very low | 24.1 | Very low | 111 Ų | 111 | 115.2 Ų | 115.2 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | cis | 59.5 | 58.6 | 44.8 | -56.4 | 27 | 0 | 0 | 0 | 111.7 | I1704 | N1702-I1704 HydrophobicContact CB-CD1 4.09Å; N1702-I1704 HydrophobicContact CB-CG1 4.24Å | ||
| 1703 | V | 24.1 | Very low | 23.5 | Very low | 126 Ų | 126 | 116.4 Ų | 116.4 | 76% | 0.764 | 67% | 0.665 | S | S | * | * | -125.4 | 110.5 | 114.6 | -176.3 | 0 | 0 | 0 | 0 | 102.9 | |||||
| 1704 | I | 20.7 | Very low | 23.3 | Very low | 136 Ų | 136 | 120.4 Ų | 120.4 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | cis | 56.3 | 52 | 49.2 | -39 | 178.8 | 0 | 0 | 0 | 111.7 | N1702 | N1702-I1704 HydrophobicContact CB-CD1 4.09Å; N1702-I1704 HydrophobicContact CB-CG1 4.24Å | ||
| 1705 | S | 21.8 | Very low | 22.9 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | trans | -147.5 | 121.2 | 135.7 | 52.2 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1706 | S | 20.7 | Very low | 22.6 | Very low | 93 Ų | 93 | 116.4 Ų | 116.4 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | cis | 59.8 | 158.6 | 36.6 | 99.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1707 | C | 21.1 | Very low | 22.5 | Very low | 97 Ų | 97 | 118 Ų | 118 | 66% | 0.655 | 67% | 0.669 | S | S | * | * | trans | 68.6 | 118.3 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1708 | N | 23.3 | Very low | 22.3 | Very low | 137 Ų | 137 | 111.3 Ų | 111.3 | 73% | 0.733 | 65% | 0.65 | S | S | * | * | 69.6 | 134.5 | 63.8 | -57.2 | 5.1 | 0 | 0 | 0 | 111.2 | |||||
| 1709 | T | 26.2 | Very low | 22.5 | Very low | 91 Ų | 91 | 111.5 Ų | 111.5 | 56% | 0.558 | 64% | 0.642 | S | S | * | * | trans | 62.6 | 138.1 | 145.8 | 52.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1710 | P | 25.9 | Very low | 22.8 | Very low | 123 Ų | 123 | 110.7 Ų | 110.7 | 80% | 0.799 | 64% | 0.636 | S | S | * | * | S | Bend | cis | -81.3 | 119.4 | -2.4 | 30.6 | -32.1 | 0 | 0 | 0 | 112.1 | E1712 | P1710-E1712 WeakPolarHBondContact CB-O 3.19Š|
| 1711 | P | 26.5 | Very low | 23.2 | Very low | 95 Ų | 95 | 107 Ų | 107 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | S | Bend | -79.4 | 170.7 | 85 | 26.6 | -39.7 | 0 | 0 | 0 | 112.7 | |||
| 1712 | E | 23.2 | Very low | 23.5 | Very low | 146 Ų | 146 | 105.6 Ų | 105.6 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | trans | 67.4 | 117.4 | -165.2 | -62.6 | 145.2 | -177.3 | 0 | 0 | 108.6 | P1710 | P1710-E1712 WeakPolarHBondContact CB-O 3.19Š| ||
| 1713 | S | 21 | Very low | 23.6 | Very low | 91 Ų | 91 | 104.3 Ų | 104.3 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | 60.3 | 148.4 | 62.3 | 79.6 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1714 | L | 20.9 | Very low | 24 | Very low | 151 Ų | 151 | 103.1 Ų | 103.1 | 79% | 0.791 | 60% | 0.602 | S | S | * | * | trans | 74.4 | 141.7 | 173 | -49.3 | 174.8 | 0 | 0 | 0 | 113.9 | ||||
| 1715 | T | 21.6 | Very low | 24.5 | Very low | 95 Ų | 95 | 100 Ų | 100 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | cis | -170 | 137.1 | 2 | 17.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 1716 | I | 20 | Very low | 25.1 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | trans | 71.4 | 152.7 | 138.5 | -38.8 | 152.3 | 0 | 0 | 0 | 121.5 | D1596 | D1596-I1716 VanDerWaalsContact OD1-CA 3.23Å; D1596-I1716 WeakPolarHBondContact OD1-CA 3.36Å | ||
| 1717 | L | 21.1 | Very low | 25.7 | Very low | 115 Ų | 115 | 97 Ų | 97 | 60% | 0.602 | 57% | 0.57 | S | S | * | * | trans | 136.9 | 23.2 | 134.7 | -78.9 | 180 | 0 | 0 | 0 | 122.6 | E1595 D1596 | E1595-L1717 HydrophobicContact CG-CB 3.68Å; D1596-L1717 PolarHBondContact OD1-N 2.81Å; D1596-L1717 WeakPolarHBondContact OD2-CA 3.49Å; D1596-L1717 PolarHBondContact OD2-N 3.38Å | ||
| 1718 | T | 21 | Very low | 26.4 | Very low | 50 Ų | 50 | 96.5 Ų | 96.5 | 31% | 0.307 | 57% | 0.566 | S | S | . | * | trans | 60.1 | 146.8 | 171.3 | 40.6 | 0 | 0 | 0 | 0 | 121.2 | E1595 D1596 | E1595-T1718 WeakPolarHBondContact CB-O 3.34Å; D1596-T1718 HydrophobicContact CB-CG2 4.48Å; D1596-T1718 PolarHBondContact OD2-N 2.88Å | ||
| 1719 | H | 25.2 | Very low | 26.7 | Very low | 127 Ų | 127 | 94.1 Ų | 94.1 | 59% | 0.588 | 56% | 0.56 | S | S | * | * | -170 | 127.4 | 66.7 | -97.3 | -69.4 | 0 | 0 | 0 | 118.2 | V2201 | H1719-V2201 CarbonylContact C-O 3.57Š| |||
| 1720 | S | 25.9 | Very low | 26.8 | Very low | 74 Ų | 74 | 94.7 Ų | 94.7 | 52% | 0.517 | 56% | 0.563 | S | S | . | * | trans | 45.2 | 147.5 | 133.4 | 66.7 | 0 | 0 | 0 | 0 | 124.3 | V2201 | S1720-V2201 WeakPolarHBondContact CA-O 3.45Å; S1720-V2201 PolarHBondContact N-O 2.91Å | ||
| 1721 | G | 30.1 | Very low | 27.2 | Very low | 16 Ų | 16 | 97.9 Ų | 97.9 | 17% | 0.165 | 56% | 0.561 | C | S | . | * | trans | 80.8 | 125 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | V2201 | G1721-V2201 VanDerWaalsContact N-CG2 3.29Š| ||
| 1722 | E | 29.6 | Very low | 27.1 | Very low | 164 Ų | 164 | 96.3 Ų | 96.3 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | cis | -166.1 | -169.5 | -16.2 | -134.2 | 163.3 | 147.4 | 0 | 0 | 111.4 | ||||
| 1723 | S | 26.8 | Very low | 27.2 | Very low | 85 Ų | 85 | 93.3 Ų | 93.3 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | trans | -30.1 | 167.7 | 161.6 | 78.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1724 | T | 31.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 91.3 Ų | 91.3 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | cis | -147.1 | 130.3 | 30 | -25.3 | 0 | 0 | 0 | 0 | 113.9 | N1248 | N1248-T1724 PolarHBondContact ND2-O 2.89Š| ||
| 1725 | S | 31.4 | Very low | 27.7 | Very low | 70 Ų | 70 | 86.3 Ų | 86.3 | 49% | 0.49 | 50% | 0.502 | S | S | . | . | trans | -44.9 | -163.6 | 134.2 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1726 | P | 34.4 | Very low | 28.1 | Very low | 50 Ų | 50 | 84.2 Ų | 84.2 | 33% | 0.325 | 49% | 0.491 | S | S | . | . | cis | -135.1 | 148.4 | -1.2 | 38.5 | -20.9 | 0 | 0 | 0 | 117.4 | D1246 V1247 | D1246-P1726 CarbonylContact C-O 3.46Å; V1247-P1726 PolarHBondContact N-O 3.2Å; V1247-P1726 CarbonylContact O-C 2.97Å; V1247-P1726 VanDerWaalsContact O-CA 3.26Å; V1247-P1726 WeakPolarHBondContact O-CA 3.17Å | ||
| 1727 | S | 32.4 | Very low | 28.4 | Very low | 74 Ų | 74 | 83.8 Ų | 83.8 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | trans | 63.5 | -140.6 | 146.6 | 67 | 0 | 0 | 0 | 0 | 114.1 | V1247 | V1247-S1727 CarbonylContact C-O 3.58Å; V1247-S1727 PolarHBondContact N-O 3.04Å; V1247-S1727 PolarHBondContact O-N 2.99Å; V1247-S1727 VanDerWaalsContact O-N 3.13Å | ||
| 1728 | P | 35.7 | Very low | 28.6 | Very low | 86 Ų | 86 | 85.4 Ų | 85.4 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | -98.7 | -172.8 | -83 | 32.3 | -17 | 0 | 0 | 0 | 108.9 | |||||
| 1729 | S | 30 | Very low | 28.7 | Very low | 88 Ų | 88 | 87.9 Ų | 87.9 | 62% | 0.615 | 52% | 0.52 | S | S | * | . | cis | 179.3 | 155.5 | 40.9 | 47.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1730 | T | 28 | Very low | 29 | Very low | 102 Ų | 102 | 86.5 Ų | 86.5 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | trans | 57.5 | 154.9 | 145.1 | 53.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1731 | Y | 35.5 | Very low | 29.7 | Very low | 191 Ų | 191 | 87.6 Ų | 87.6 | 75% | 0.749 | 53% | 0.533 | S | S | * | . | cis | -124.1 | 127.6 | -17.1 | -98.1 | -74.1 | 0 | 0 | 0 | 102.3 | ||||
| 1732 | S | 24.6 | Very low | 29.9 | Very low | 62 Ų | 62 | 90.5 Ų | 90.5 | 43% | 0.434 | 55% | 0.55 | S | S | . | * | cis | 58.8 | 137.9 | 44 | 125 | 0 | 0 | 0 | 0 | 110.7 | N1957 | S1732-N1957 CarbonylContact C-O 3.57Å; S1732-N1957 VanDerWaalsContact C-O 3.23Å | ||
| 1733 | E | 24.8 | Very low | 30.1 | Very low | 82 Ų | 82 | 86.7 Ų | 86.7 | 38% | 0.383 | 54% | 0.54 | S | S | . | . | cis | -167.2 | 148.9 | -3.9 | -110.3 | 160 | 123.3 | 0 | 0 | 108.7 | S1956 N1957 S1958 | E1733-S1956 VanDerWaalsContact CD-N 3.33Å; E1733-S1956 PolarHBondContact OE1-N 3.11Å; E1733-N1957 VanDerWaalsContact N-C 3.34Å; E1733-N1957 PolarHBondContact N-O 3.3Å; E1733-N1957 CarbonylContact O-C 3.5Å; E1733-N1957 WeakPolarHBondContact O-CA 3.36Å; E1733-N1957 PolarHBondContact O-N 3.04Å; E1733-S1958 VanDerWaalsContact O-CA 3.26Å; E1733-S1958 WeakPolarHBondContact O-CA 3.08Å; E1733-S1958 WeakPolarHBondContact O-CB 3.47Å; E1733-S1958 PolarHBondContact O-N 2.87Å | ||
| 1734 | S | 24.5 | Very low | 30.4 | Very low | 50 Ų | 50 | 89.9 Ų | 89.9 | 35% | 0.35 | 54% | 0.54 | S | S | . | . | 64.8 | 179.7 | 128.4 | 83.7 | 0 | 0 | 0 | 0 | 126 | S1956 N1957 | S1734-S1956 VanDerWaalsContact CB-N 3.32Å; S1734-S1956 WeakPolarHBondContact OG-CA 3.25Å; S1734-S1956 PolarHBondContact OG-N 2.76Å; S1734-N1957 PolarHBondContact OG-N 2.93Å | |||
| 1735 | S | 27.9 | Very low | 30.5 | Very low | 45 Ų | 45 | 88.2 Ų | 88.2 | 32% | 0.315 | 53% | 0.533 | S | S | . | . | trans | 84.2 | 137.4 | 149.7 | -61.6 | 0 | 0 | 0 | 0 | 118.6 | D400 V1955 | D400-S1735 WeakPolarHBondContact OD1-CB 3.01Å; D400-S1735 PolarHBondContact OD1-OG 3.15Å; S1735-V1955 WeakPolarHBondContact OG-CG1 3.44Å | ||
| 1736 | S | 29.6 | Very low | 30.6 | Very low | 51 Ų | 51 | 86.7 Ų | 86.7 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | cis | -165 | -177.6 | -11.7 | 49.7 | 0 | 0 | 0 | 0 | 109.4 | P401 | P401-S1736 WeakPolarHBondContact CA-OG 3.48Š| ||
| 1737 | T | 26 | Very low | 30.6 | Very low | 77 Ų | 77 | 84.3 Ų | 84.3 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | trans | 48.6 | 136.6 | 145.8 | 46 | 0 | 0 | 0 | 0 | 122.1 | P401 F402 | P401-T1737 WeakPolarHBondContact O-CG2 3.45Å; F402-T1737 WeakPolarHBondContact O-CG2 3.17Å | ||
| 1738 | L | 25 | Very low | 30.2 | Very low | 150 Ų | 150 | 81 Ų | 81 | 79% | 0.785 | 48% | 0.481 | S | S | * | . | cis | -151.9 | 167.1 | 0.3 | -89.5 | 138.1 | 0 | 0 | 0 | 108.4 | ||||
| 1739 | S | 25 | Very low | 29.9 | Very low | 101 Ų | 101 | 79.7 Ų | 79.7 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | trans | 46.6 | 121.4 | 149.5 | 60.5 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1740 | S | 30.5 | Very low | 29.8 | Very low | 99 Ų | 99 | 80.9 Ų | 80.9 | 69% | 0.692 | 47% | 0.471 | S | S | * | . | trans | 55.7 | 113.8 | 140 | 60.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1741 | S | 41.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 79.8 Ų | 79.8 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 65.8 | -165.4 | 148.2 | 77.1 | 0 | 0 | 0 | 0 | 118.7 | ||
| 1742 | S | 33.8 | Very low | 29.4 | Very low | 77 Ų | 77 | 73.1 Ų | 73.1 | 54% | 0.538 | 44% | 0.441 | S | S | . | . | trans | -74.4 | 150.8 | 175.9 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1743 | P | 33.7 | Very low | 29.6 | Very low | 85 Ų | 85 | 72 Ų | 72 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | -145.7 | -129.5 | 116.9 | 39.8 | -25 | 0 | 0 | 0 | 115.7 | N2112 | P1743-N2112 WeakPolarHBondContact CD-O 3.43Š| |||
| 1744 | Y | 31.8 | Very low | 29.7 | Very low | 152 Ų | 152 | 73.9 Ų | 73.9 | 60% | 0.596 | 44% | 0.439 | S | S | * | . | trans | -132.1 | 123.4 | -134.4 | -158 | -101.8 | 0 | 0 | 0 | 114.3 | I2111 | Y1744-I2111 CarbonylContact C-O 3.32Å; Y1744-I2111 PolarHBondContact N-O 2.58Å; Y1744-I2111 CarbonylContact O-C 3.18Å; Y1744-I2111 PolarHBondContact O-N 3.25Å; Y1744-I2111 VanDerWaalsContact O-N 3.14Å; Y1744-I2111 VanDerWaalsContact O-O 3.05Å | ||
| 1745 | S | 35.5 | Very low | 29.8 | Very low | 65 Ų | 65 | 78.4 Ų | 78.4 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | trans | 55.2 | -139.6 | 157.6 | -50.2 | 0 | 0 | 0 | 0 | 115.3 | I2111 N2112 | S1745-I2111 CarbonylContact O-C 3.58Å; S1745-N2112 PolarHBondContact O-N 2.72Å | ||
| 1746 | D | 33.4 | Very low | 29.6 | Very low | 37 Ų | 37 | 82.9 Ų | 82.9 | 20% | 0.198 | 47% | 0.473 | C | S | . | . | cis | -159.6 | -127.9 | -0.3 | -133.7 | 16.2 | 0 | 0 | 0 | 107.2 | K2109 T2110 | D1746-K2109 WeakPolarHBondContact CB-O 3.46Å; D1746-T2110 VanDerWaalsContact CB-CA 3.45Å; D1746-T2110 VanDerWaalsContact N-CG2 3.31Å | ||
| 1747 | L | 33.8 | Very low | 29.5 | Very low | 0 Ų | 0 | 85.3 Ų | 85.3 | 0% | 0 | 49% | 0.49 | C | S | . | . | trans | -118.9 | 148.2 | -159 | -59.1 | 57.5 | 0 | 0 | 0 | 116.8 | S1966 P1967 C1968 L1969 N2107 N2108 K2109 T2110 | L1747-S1966 WeakPolarHBondContact CA-OG 3.19Å; L1747-S1966 WeakPolarHBondContact CB-OG 3.07Å; L1747-P1967 HydrophobicContact CB-CB 4.03Å; L1747-P1967 HydrophobicContact CD2-CB 3.36Å; L1747-P1967 HydrophobicContact CG-CB 3.48Å; L1747-P1967 VanDerWaalsContact CG-CB 3.48Å; L1747-C1968 HydrophobicContact CD1-CB 3.87Å; L1747-C1968 WeakPolarHBondContact CD2-O 3.32Å; L1747-L1969 HydrophobicContact CD1-CD1 3.94Å; L1747-L1969 HydrophobicContact CD1-CG 4.03Å; L1747-L1969 HydrophobicContact CD2-CD1 3.98Å; L1747-N2107 HydrophobicContact CD2-CB 3.79Å; L1747-N2108 VanDerWaalsContact CB-OD1 3.31Å; L1747-N2108 WeakPolarHBondContact CB-OD1 3.24Å; L1747-N2108 VanDerWaalsContact CD2-CA 3.41Å; L1747-N2108 HydrophobicContact CD2-CB 4.42Å; L1747-K2109 CarbonylContact O-C 3.59Å; L1747-K2109 VanDerWaalsContact O-CA 3.22Å; L1747-K2109 WeakPolarHBondContact O-CA 3.32Å; L1747-K2109 WeakPolarHBondContact O-CG 3.29Å; L1747-T2110 PolarHBondContact N-OG1 3.22Å; L1747-T2110 PolarHBondContact O-N 3.46Å; L1747-T2110 PolarHBondContact O-OG1 3.39Å | ||
| 1748 | G | 24.1 | Very low | 29.4 | Very low | 4 Ų | 4 | 83.6 Ų | 83.6 | 4% | 0.041 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -141.6 | 89.2 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G1965 S1966 | G1748-G1965 CarbonylContact O-C 2.96Å; G1748-G1965 WeakPolarHBondContact O-CA 3.3Å; G1748-G1965 PolarHBondContact O-N 3.2Å; G1748-S1966 PolarHBondContact N-OG 3.23Å |
| 1749 | C | 28.9 | Very low | 29.2 | Very low | 60 Ų | 60 | 86 Ų | 86 | 41% | 0.405 | 48% | 0.477 | S | S | . | . | S | Bend | trans | 89 | 125.1 | -174.7 | -55.3 | 0 | 0 | 0 | 0 | 115.4 | S1966 | C1749-S1966 PolarHBondContact N-OG 3.14Å; C1749-S1966 CarbonylContact O-C 3.14Å; C1749-S1966 PolarHBondContact O-OG 3.26Å |
| 1750 | I | 28.8 | Very low | 29.2 | Very low | 112 Ų | 112 | 89.4 Ų | 89.4 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | S | Bend | cis | -154.5 | 152.2 | -22.8 | -129.4 | 150.6 | 0 | 0 | 0 | 108.7 | P1967 | I1750-P1967 VanDerWaalsContact O-CG 3.29Å; I1750-P1967 WeakPolarHBondContact O-CG 3.31Å |
| 1751 | D | 26.4 | Very low | 28.9 | Very low | 79 Ų | 79 | 92.8 Ų | 92.8 | 42% | 0.422 | 48% | 0.483 | S | S | . | . | cis | -126.6 | -148.6 | 11.8 | -149.6 | -23.9 | 0 | 0 | 0 | 114.3 | S2106 N2107 N2108 | D1751-S2106 CarbonylContact C-O 3.45Å; D1751-N2107 PolarHBondContact N-ND2 3.33Å; D1751-N2107 VanDerWaalsContact N-ND2 3.12Å; D1751-N2107 CarbonylContact O-C 3.44Å; D1751-N2107 WeakPolarHBondContact O-CA 3.08Å; D1751-N2107 WeakPolarHBondContact O-CB 3.15Å; D1751-N2107 PolarHBondContact O-ND2 2.86Å; D1751-N2108 VanDerWaalsContact C-ND2 3.31Å; D1751-N2108 WeakPolarHBondContact O-CB 3.41Å; D1751-N2108 PolarHBondContact O-N 3.37Å; D1751-N2108 PolarHBondContact O-ND2 2.76Å | ||
| 1752 | T | 27.7 | Very low | 28.1 | Very low | 51 Ų | 51 | 93.1 Ų | 93.1 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | trans | -121.8 | 148.6 | -160.8 | -44.3 | 0 | 0 | 0 | 0 | 111.8 | S2106 N2107 N2108 | T1752-S2106 CarbonylContact C-O 3.46Å; T1752-S2106 VanDerWaalsContact CA-O 3.3Å; T1752-S2106 WeakPolarHBondContact CA-O 3.36Å; T1752-S2106 PolarHBondContact N-O 3.32Å; T1752-S2106 CarbonylContact O-C 3.47Å; T1752-S2106 VanDerWaalsContact O-C 3.29Å; T1752-S2106 PolarHBondContact O-OG 3.36Å; T1752-N2107 CarbonylContact C-O 2.96Å; T1752-N2107 VanDerWaalsContact CA-O 3.28Å; T1752-N2107 WeakPolarHBondContact CA-O 3.43Å; T1752-N2108 HydrophobicContact CG2-CB 4.03Å; T1752-N2108 PolarHBondContact OG1-ND2 3.48Å | ||
| 1753 | I | 28.3 | Very low | 27.8 | Very low | 39 Ų | 39 | 94.5 Ų | 94.5 | 20% | 0.2 | 50% | 0.501 | C | S | . | . | B | Isolated β-bridge | trans | 137 | 107.1 | 159.7 | -70.7 | 155.6 | 0 | 0 | 0 | 108.9 | I2105 S2106 N2107 | I1753-I2105 HydrophobicContact CB-CG2 3.94Å; I1753-I2105 HydrophobicContact CD1-CG2 3.41Å; I1753-I2105 VanDerWaalsContact CD1-CG2 3.41Å; I1753-I2105 HydrophobicContact CG1-CG2 4.26Å; I1753-I2105 VanDerWaalsContact CG2-C 3.46Å; I1753-I2105 HydrophobicContact CG2-CB 4.04Å; I1753-I2105 HydrophobicContact CG2-CG2 3.85Å; I1753-I2105 WeakPolarHBondContact CG2-O 3.33Å; I1753-S2106 VanDerWaalsContact N-C 3.34Å; I1753-S2106 PolarHBondContact N-O 2.75Å; I1753-S2106 CarbonylContact O-C 3.21Å; I1753-S2106 WeakPolarHBondContact O-CA 3.35Å; I1753-S2106 PolarHBondContact O-N 2.97Å; I1753-N2107 PolarHBondContact N-O 3.32Å; I1753-N2107 PolarHBondContact O-N 2.87Å |
| 1754 | Q | 27.5 | Very low | 27.5 | Very low | 122 Ų | 122 | 93.2 Ų | 93.2 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | 56.7 | 177.2 | 87.5 | -42.6 | 137.8 | 30.8 | 0 | 0 | 112 | |||||
| 1755 | R | 27.4 | Very low | 27.4 | Very low | 144 Ų | 144 | 95 Ų | 95 | 54% | 0.543 | 52% | 0.515 | S | S | . | . | cis | -133.3 | 153.2 | 4.6 | -93 | 109.4 | -164.7 | -158.1 | 11 | 106.1 | S1757 | R1755-S1757 WeakPolarHBondContact CB-OG 3.44Š| ||
| 1756 | V | 22.5 | Very low | 26.9 | Very low | 139 Ų | 139 | 98 Ų | 98 | 84% | 0.842 | 53% | 0.53 | S | S | * | . | cis | 46.5 | 38.7 | 39.4 | -161.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1757 | S | 28.6 | Very low | 26.5 | Very low | 103 Ų | 103 | 101.1 Ų | 101.1 | 72% | 0.72 | 56% | 0.555 | S | S | * | * | trans | -104.7 | 75.3 | 165.5 | -76 | 0 | 0 | 0 | 0 | 108 | R1755 | R1755-S1757 WeakPolarHBondContact CB-OG 3.44Š| ||
| 1758 | L | 22.6 | Very low | 26.2 | Very low | 40 Ų | 40 | 109 Ų | 109 | 21% | 0.209 | 59% | 0.59 | C | S | . | * | trans | -86.5 | 145.5 | 164.7 | -86.5 | 158 | 0 | 0 | 0 | 109.4 | P1140 M1141 Y1142 | P1140-L1758 HydrophobicContact CG-CD2 4.3Å; M1141-L1758 HydrophobicContact CB-CD1 4.22Å; M1141-L1758 HydrophobicContact CB-CD2 3.66Å; M1141-L1758 HydrophobicContact CE-CD1 3.74Å; M1141-L1758 HydrophobicContact CG-CD2 4.2Å; M1141-L1758 HydrophobicContact SD-CD1 3.75Å; M1141-L1758 HydrophobicContact SD-CD2 3.76Å; M1141-L1758 HydrophobicContact SD-CG 3.97Å; Y1142-L1758 HydrophobicContact CD1-CD1 3.96Å; Y1142-L1758 HydrophobicContact CD2-CD1 4.08Å; Y1142-L1758 HydrophobicContact CD2-CD2 4.44Å; Y1142-L1758 HydrophobicContact CE1-CD1 3.53Å; Y1142-L1758 HydrophobicContact CE2-CB 3.94Å; Y1142-L1758 HydrophobicContact CE2-CD1 3.67Å; Y1142-L1758 HydrophobicContact CE2-CD2 4.08Å; Y1142-L1758 HydrophobicContact CE2-CG 4.1Å; Y1142-L1758 HydrophobicContact CG-CD1 4.22Å; Y1142-L1758 WeakPolarHBondContact OH-CB 3.37Å | ||
| 1759 | R | 21.8 | Very low | 26.2 | Very low | 201 Ų | 201 | 114.3 Ų | 114.3 | 76% | 0.758 | 62% | 0.617 | S | S | * | * | trans | 71.9 | 141.4 | -173.3 | -41.9 | 168.6 | 176.6 | -178.2 | -4.8 | 110.7 | ||||
| 1760 | K | 23.8 | Very low | 26.1 | Very low | 173 Ų | 173 | 115.2 Ų | 115.2 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | cis | -145.3 | 149.6 | 18.8 | -73 | -179.5 | 176.6 | -178.6 | 0 | 112.7 | ||||
| 1761 | H | 24.5 | Very low | 25.8 | Very low | 170 Ų | 170 | 118 Ų | 118 | 79% | 0.787 | 63% | 0.633 | S | S | * | * | trans | 61.7 | 148.2 | 153.3 | -58.4 | -41.7 | 0 | 0 | 0 | 118.4 | ||||
| 1762 | S | 24.7 | Very low | 25.7 | Very low | 102 Ų | 102 | 117.8 Ų | 117.8 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | cis | -159.7 | 153.2 | -7.3 | 40.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1763 | A | 27.8 | Very low | 25.6 | Very low | 106 Ų | 106 | 118.2 Ų | 118.2 | 88% | 0.876 | 63% | 0.63 | S | S | * | * | trans | 60 | 125.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1764 | G | 28.1 | Very low | 25.4 | Very low | 59 Ų | 59 | 120 Ų | 120 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | cis | 164 | 179.5 | -7.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1765 | K | 28.4 | Very low | 25.3 | Very low | 190 Ų | 190 | 117.6 Ų | 117.6 | 83% | 0.826 | 63% | 0.631 | S | S | * | * | trans | 61.8 | 84.5 | 175.3 | -67.3 | -174.6 | 178.1 | -178.9 | 0 | 114.4 | ||||
| 1766 | T | 26 | Very low | 25.2 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 78% | 0.779 | 64% | 0.638 | S | S | * | * | 79.7 | 149 | 79.8 | 56.7 | 0 | 0 | 0 | 0 | 114 | |||||
| 1767 | S | 25 | Very low | 25.4 | Very low | 103 Ų | 103 | 116.9 Ų | 116.9 | 72% | 0.72 | 64% | 0.637 | S | S | * | * | trans | 81.9 | 136.9 | 149.5 | -163.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1768 | F | 26.9 | Very low | 25.4 | Very low | 166 Ų | 166 | 115.1 Ų | 115.1 | 73% | 0.728 | 63% | 0.625 | S | S | * | * | cis | -132.6 | 147.7 | -21.8 | -129.5 | -134.8 | 0 | 0 | 0 | 104.4 | ||||
| 1769 | N | 24.5 | Very low | 26.1 | Very low | 115 Ų | 115 | 116 Ų | 116 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | 32.8 | 127.2 | 100.8 | -59.8 | -37.2 | 0 | 0 | 0 | 112.8 | |||||
| 1770 | A | 26.6 | Very low | 26.1 | Very low | 79 Ų | 79 | 115.9 Ų | 115.9 | 65% | 0.653 | 63% | 0.633 | S | S | * | * | 46 | 121.6 | 75.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1771 | R | 23.6 | Very low | 26.1 | Very low | 171 Ų | 171 | 117.5 Ų | 117.5 | 65% | 0.645 | 63% | 0.634 | S | S | * | * | -154.4 | 164.8 | 62 | -112.7 | -176.6 | 177.8 | 105.8 | -3.8 | 109.6 | |||||
| 1772 | N | 24 | Very low | 26.6 | Very low | 73 Ų | 73 | 119.6 Ų | 119.6 | 39% | 0.39 | 64% | 0.635 | S | S | . | * | trans | 74.1 | 144.5 | 143.4 | -66.5 | 12.9 | 0 | 0 | 0 | 115.4 | D1288 | D1288-N1772 PolarHBondContact O-ND2 2.83Å; D1288-N1772 PolarHBondContact O-OD1 2.85Å | ||
| 1773 | E | 25.6 | Very low | 26.9 | Very low | 61 Ų | 61 | 122.2 Ų | 122.2 | 29% | 0.285 | 64% | 0.64 | S | S | . | * | cis | -158.8 | -149.9 | 12.9 | -133.2 | 160.1 | -145.3 | 0 | 0 | 119 | N1188 D1189 T1289 M1290 E1291 | N1188-E1773 VanDerWaalsContact C-OE1 3.28Å; N1188-E1773 WeakPolarHBondContact CA-OE1 3.28Å; N1188-E1773 PolarHBondContact OD1-OE2 3.24Å; D1189-E1773 WeakPolarHBondContact CA-OE2 3.38Å; D1189-E1773 PolarHBondContact N-OE1 2.91Å; D1189-E1773 PolarHBondContact N-OE2 3.29Å; T1289-E1773 PolarHBondContact N-OE1 3.22Å; M1290-E1773 VanDerWaalsContact C-CG 3.49Å; M1290-E1773 WeakPolarHBondContact CA-OE2 3.31Å; M1290-E1773 VanDerWaalsContact O-CB 3.28Å; M1290-E1773 WeakPolarHBondContact O-CB 3.46Å; M1290-E1773 VanDerWaalsContact O-CG 3.3Å; M1290-E1773 WeakPolarHBondContact O-CG 3.46Å; E1291-E1773 PolarHBondContact N-OE2 3.08Å | ||
| 1774 | V | 23.8 | Very low | 26.6 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 47% | 0.467 | 63% | 0.633 | S | S | . | * | trans | -133.2 | -164 | -145.6 | 175.6 | 0 | 0 | 0 | 0 | 109.6 | T1289 M1290 | T1289-V1774 HydrophobicContact CG2-CG1 4.19Å; T1289-V1774 HydrophobicContact CG2-CG2 4.13Å; M1290-V1774 CarbonylContact O-C 3.29Å; M1290-V1774 VanDerWaalsContact O-C 3.29Å; M1290-V1774 WeakPolarHBondContact O-CA 3.28Å; M1290-V1774 PolarHBondContact O-N 3.39Å; M1290-V1774 VanDerWaalsContact O-O 3.05Å | ||
| 1775 | Q | 25.1 | Very low | 26.4 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 33% | 0.332 | 64% | 0.644 | S | S | . | * | trans | 71.8 | 122.7 | 177.6 | -54.7 | -78.4 | -82.6 | 0 | 0 | 115.5 | M1290 E1291 | M1290-Q1775 HydrophobicContact CB-CG 3.69Å; E1291-Q1775 HydrophobicContact CG-CB 3.53Å; E1291-Q1775 HydrophobicContact CG-CG 3.61Å; E1291-Q1775 WeakPolarHBondContact OE1-CB 3.44Å; E1291-Q1775 WeakPolarHBondContact OE1-CG 3.1Å | ||
| 1776 | H | 24.7 | Very low | 26.3 | Very low | 149 Ų | 149 | 127 Ų | 127 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | trans | 24.1 | 123.9 | 136 | -42.6 | -51.5 | 0 | 0 | 0 | 118 | ||||
| 1777 | S | 28.2 | Very low | 26.3 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 64% | 0.642 | S | S | * | * | -160.6 | 163.4 | 51.1 | 50.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1778 | S | 28.4 | Very low | 26.4 | Very low | 67 Ų | 67 | 129 Ų | 129 | 47% | 0.469 | 65% | 0.651 | S | S | . | * | trans | -69.7 | 173.7 | 161.1 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | D2515 H2516 | S1778-D2515 WeakPolarHBondContact CB-OD2 3.11Å; S1778-H2516 WeakPolarHBondContact CB-NE2 2.92Å; S1778-H2516 PolarHBondContact OG-NE2 2.98Å | ||
| 1779 | P | 37.3 | Very low | 26.4 | Very low | 58 Ų | 58 | 124.7 Ų | 124.7 | 38% | 0.377 | 65% | 0.654 | S | S | . | * | cis | -138.8 | -143.5 | -44.2 | 37.6 | -16.7 | 0 | 0 | 0 | 108.7 | D2515 | P1779-D2515 VanDerWaalsContact CD-CG 3.5Å; P1779-D2515 WeakPolarHBondContact CD-OD1 3.4Å; P1779-D2515 VanDerWaalsContact CD-OD2 3.23Å; P1779-D2515 WeakPolarHBondContact CD-OD2 3.37Å; P1779-D2515 WeakPolarHBondContact CG-OD1 3.26Å; P1779-D2515 WeakPolarHBondContact CG-OD2 3.12Å | ||
| 1780 | W | 21.6 | Very low | 26.4 | Very low | 199 Ų | 199 | 125.2 Ų | 125.2 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | trans | 35.5 | 95.1 | 152 | -87.9 | 87.4 | 0 | 0 | 0 | 119.3 | ||||
| 1781 | R | 24.1 | Very low | 26.6 | Very low | 206 Ų | 206 | 131.8 Ų | 131.8 | 78% | 0.777 | 68% | 0.675 | S | S | * | * | 143.6 | 134.4 | 127.8 | -76.8 | 156 | -166.7 | -116.1 | -1.5 | 110.9 | |||||
| 1782 | R | 34.1 | Very low | 26.5 | Very low | 215 Ų | 215 | 130.4 Ų | 130.4 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | cis | 73.7 | 129.5 | 37.2 | -148.9 | -162.5 | -164.2 | 173.8 | 8.2 | 113.2 | ||||
| 1783 | L | 32.2 | Very low | 26.7 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | 77.5 | 111.8 | 169.7 | -58 | 161.2 | 0 | 0 | 0 | 117.9 | ||||
| 1784 | C | 21.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 73% | 0.73 | 72% | 0.718 | S | S | * | * | trans | -153 | 128.4 | 146.3 | -111.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1785 | Y | 22.9 | Very low | 26.7 | Very low | 212 Ų | 212 | 145.3 Ų | 145.3 | 83% | 0.831 | 73% | 0.729 | S | S | * | * | trans | 64.2 | 163 | 176.2 | -55.3 | -66.2 | 0 | 0 | 0 | 116.4 | ||||
| 1786 | L | 27.5 | Very low | 26.7 | Very low | 135 Ų | 135 | 149.3 Ų | 149.3 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | -115.1 | 139 | -54.8 | -85.3 | 170.3 | 0 | 0 | 0 | 105.8 | |||||
| 1787 | E | 25.6 | Very low | 26.7 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | 65.8 | 118.7 | 72.4 | -61.3 | -153.6 | 126.4 | 0 | 0 | 116.5 | |||||
| 1788 | G | 26.4 | Very low | 26.7 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | 118.1 | 96.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1789 | G | 27.5 | Very low | 26.5 | Very low | 77 Ų | 77 | 150.4 Ų | 150.4 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | cis | -171.4 | 152.7 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1790 | T | 24.2 | Very low | 26 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | -79 | 141.3 | -174.6 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1791 | K | 29.7 | Very low | 26 | Very low | 216 Ų | 216 | 148.6 Ų | 148.6 | 94% | 0.939 | 73% | 0.727 | S | S | * | * | trans | -117.2 | 97.4 | 152.5 | -88.1 | -172.2 | 175.4 | 177.5 | 0 | 111.3 | ||||
| 1792 | F | 22.8 | Very low | 26 | Very low | 143 Ų | 143 | 144.5 Ų | 144.5 | 63% | 0.627 | 71% | 0.712 | S | S | * | * | trans | -78.5 | 138.6 | 170.3 | -118.9 | -83 | 0 | 0 | 0 | 111.4 | R1794 | F1792-R1794 HydrophobicContact CD1-CG 4.01Å; F1792-R1794 HydrophobicContact CE1-CG 4Å | ||
| 1793 | K | 28 | Very low | 25.7 | Very low | 198 Ų | 198 | 143.6 Ų | 143.6 | 86% | 0.861 | 71% | 0.71 | S | S | * | * | trans | 174.7 | 110.7 | 134.5 | -96.2 | 161.6 | -176.4 | -177.4 | 0 | 107.6 | ||||
| 1794 | R | 24 | Very low | 25.1 | Very low | 194 Ų | 194 | 140.6 Ų | 140.6 | 73% | 0.732 | 70% | 0.695 | S | S | * | * | 50.8 | 108.4 | 63.3 | -76.3 | -172.4 | 174 | 158.6 | 0.6 | 113.6 | F1792 | F1792-R1794 HydrophobicContact CD1-CG 4.01Å; F1792-R1794 HydrophobicContact CE1-CG 4Å | |||
| 1795 | N | 25.1 | Very low | 25.3 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | 178.6 | 123.7 | 115.8 | -87.6 | -3.3 | 0 | 0 | 0 | 109 | |||||
| 1796 | H | 26.3 | Very low | 25.2 | Very low | 154 Ų | 154 | 141 Ų | 141 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | 70.7 | 139.8 | 107.2 | -71.6 | -40 | 0 | 0 | 0 | 115.7 | |||||
| 1797 | R | 24.7 | Very low | 25.1 | Very low | 155 Ų | 155 | 139 Ų | 139 | 59% | 0.585 | 69% | 0.69 | S | S | * | * | cis | -174.4 | 166.8 | -12 | -158 | 175.8 | -164.9 | 174.6 | -0.1 | 106.5 | H1650 | H1650-R1797 HydrophobicContact CB-CG 4.5Š| ||
| 1798 | K | 27.1 | Very low | 25.1 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 50% | 0.5 | 69% | 0.685 | S | S | . | * | trans | 85.6 | 132.8 | 173.6 | -46.4 | 162.5 | -161.4 | -160.7 | 0 | 114.3 | H1650 V1651 I1652 | H1650-K1798 WeakPolarHBondContact O-CG 3.5Å; V1651-K1798 WeakPolarHBondContact O-CD 3.14Å; V1651-K1798 WeakPolarHBondContact O-CE 3.38Å; V1651-K1798 PolarHBondContact O-NZ 3.29Å; I1652-K1798 PolarHBondContact O-NZ 3.24Å | ||
| 1799 | D | 24.8 | Very low | 24.8 | Very low | 88 Ų | 88 | 138.1 Ų | 138.1 | 47% | 0.471 | 68% | 0.68 | S | S | . | * | cis | 101 | 118.8 | 8.8 | -62.4 | -63.7 | 0 | 0 | 0 | 118 | R1649 H1650 | R1649-D1799 VanDerWaalsContact CA-CG 3.46Å; R1649-D1799 VanDerWaalsContact CA-OD2 3.24Å; R1649-D1799 WeakPolarHBondContact CA-OD2 3.5Å; R1649-D1799 VanDerWaalsContact N-CG 3.28Å; R1649-D1799 PolarHBondContact N-OD1 3.23Å; R1649-D1799 PolarHBondContact N-OD2 2.84Å; H1650-D1799 PolarHBondContact N-OD2 3.14Å | ||
| 1800 | V | 25.5 | Very low | 24.7 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 46% | 0.461 | 68% | 0.678 | S | S | . | * | trans | 107 | 139.8 | 134.1 | 165 | 0 | 0 | 0 | 0 | 124.3 | M957 | M957-V1800 VanDerWaalsContact SD-CA 3.53Å; M957-V1800 HydrophobicContact SD-CB 4.49Å; M957-V1800 HydrophobicContact SD-CG2 4.42Å | ||
| 1801 | Q | 23.2 | Very low | 24.7 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 66% | 0.664 | 67% | 0.674 | S | S | * | * | trans | 100.4 | -132.7 | 165.5 | -90.7 | 167.7 | -82.1 | 0 | 0 | 124 | M957 D958 | M957-Q1801 VanDerWaalsContact CB-N 3.33Å; M957-Q1801 WeakPolarHBondContact CB-O 3.4Å; M957-Q1801 WeakPolarHBondContact CG-O 3.25Å; M957-Q1801 PolarHBondContact SD-N 2.82Å; D958-Q1801 HydrophobicContact CB-CB 4.49Å; D958-Q1801 VanDerWaalsContact OD2-CB 3.23Å; D958-Q1801 WeakPolarHBondContact OD2-CB 3.1Å | ||
| 1802 | Y | 23.9 | Very low | 24.5 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 48% | 0.475 | 66% | 0.664 | S | S | . | * | trans | -63.3 | 159.3 | -166.9 | -80.2 | -62.2 | 0 | 0 | 0 | 114.6 | M957 D958 D1804 | M957-Y1802 CarbonylContact C-O 3.37Å; M957-Y1802 WeakPolarHBondContact CA-O 3.38Å; D958-Y1802 VanDerWaalsContact CG-N 3.27Å; D958-Y1802 PolarHBondContact N-O 3.38Å; D958-Y1802 WeakPolarHBondContact OD2-CB 3.44Å; D958-Y1802 PolarHBondContact OD2-N 3.24Å; Y1802-D1804 HydrophobicContact CD1-CB 3.64Å; Y1802-D1804 HydrophobicContact CE1-CB 3.55Å; Y1802-D1804 VanDerWaalsContact CE1-CG 3.47Å; Y1802-D1804 WeakPolarHBondContact CE1-OD2 3.4Å; Y1802-D1804 HydrophobicContact CG-CB 4.09Å; Y1802-D1804 PolarHBondContact OH-OD2 3.23Å | ||
| 1803 | Y | 26.7 | Very low | 24.6 | Very low | 196 Ų | 196 | 135 Ų | 135 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | cis | 76.2 | 48.7 | -16.2 | -130.4 | -77.1 | 0 | 0 | 0 | 120.1 | ||||
| 1804 | D | 20.9 | Very low | 24.5 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | trans | -137.4 | 151.6 | 165.4 | -139.2 | -6.9 | 0 | 0 | 0 | 117.8 | Y1802 | Y1802-D1804 HydrophobicContact CD1-CB 3.64Å; Y1802-D1804 HydrophobicContact CE1-CB 3.55Å; Y1802-D1804 VanDerWaalsContact CE1-CG 3.47Å; Y1802-D1804 WeakPolarHBondContact CE1-OD2 3.4Å; Y1802-D1804 HydrophobicContact CG-CB 4.09Å; Y1802-D1804 PolarHBondContact OH-OD2 3.23Å | ||
| 1805 | M | 23.8 | Very low | 24.6 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | trans | 42.4 | 108.2 | 161.8 | -78.3 | 160.3 | 56 | 0 | 0 | 120.5 | ||||
| 1806 | F | 20.7 | Very low | 24.6 | Very low | 192 Ų | 192 | 130.2 Ų | 130.2 | 84% | 0.842 | 67% | 0.665 | S | S | * | * | 63.2 | 113.8 | 77.8 | -81.8 | -81.4 | 0 | 0 | 0 | 115.5 | |||||
| 1807 | S | 25.3 | Very low | 24.6 | Very low | 94 Ų | 94 | 134.5 Ų | 134.5 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | 38.5 | 138.1 | 121 | -157.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1808 | T | 26 | Very low | 24.7 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | trans | 79.6 | 167.9 | 169.3 | 76.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1809 | V | 20.5 | Very low | 24.6 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 79% | 0.788 | 68% | 0.684 | S | S | * | * | trans | 68.7 | 106.6 | 176.7 | -167.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1810 | I | 24.6 | Very low | 24.8 | Very low | 147 Ų | 147 | 141.2 Ų | 141.2 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | cis | -132.8 | 120.9 | 19.3 | -59.9 | 177.9 | 0 | 0 | 0 | 111.5 | P1812 | I1810-P1812 VanDerWaalsContact O-CD 3.27Å; I1810-P1812 WeakPolarHBondContact O-CD 3.49Å | ||
| 1811 | T | 24.1 | Very low | 24.7 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.693 | 70% | 0.704 | S | S | * | * | trans | -68.5 | 122.2 | 151.9 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | C1813 | T1811-C1813 PolarHBondContact O-N 2.99Š| ||
| 1812 | P | 27.5 | Very low | 24.9 | Very low | 111 Ų | 111 | 139.9 Ų | 139.9 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -66.6 | 89.4 | 148.6 | 29.2 | -31 | 0 | 0 | 0 | 106.9 | I1810 G1814 | I1810-P1812 VanDerWaalsContact O-CD 3.27Å; I1810-P1812 WeakPolarHBondContact O-CD 3.49Å; P1812-G1814 CarbonylContact O-C 3.56Å; P1812-G1814 PolarHBondContact O-N 3.46Å | ||
| 1813 | C | 24.6 | Very low | 25.1 | Very low | 124 Ų | 124 | 139 Ų | 139 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -68.1 | 81.7 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | T1811 | T1811-C1813 PolarHBondContact O-N 2.99Š| ||
| 1814 | G | 24.9 | Very low | 25.3 | Very low | 44 Ų | 44 | 134.9 Ų | 134.9 | 45% | 0.454 | 71% | 0.714 | S | S | . | * | trans | 149.7 | 96.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | P1812 | P1812-G1814 CarbonylContact O-C 3.56Å; P1812-G1814 PolarHBondContact O-N 3.46Å | ||
| 1815 | K | 26.9 | Very low | 25.7 | Very low | 200 Ų | 200 | 135.6 Ų | 135.6 | 87% | 0.87 | 73% | 0.725 | S | S | * | * | -124.2 | 104.4 | 55.2 | -72.6 | 149.5 | -171.3 | 163.2 | 0 | 113.9 | |||||
| 1816 | K | 25.5 | Very low | 26.2 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 78% | 0.783 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -46.9 | 164.7 | 134.9 | -78.2 | 179.6 | 176.6 | 172.5 | 0 | 109.1 | I1818 | K1816-I1818 PolarHBondContact O-N 3.44Š|
| 1817 | R | 25.9 | Very low | 26.7 | Very low | 245 Ų | 245 | 133.3 Ų | 133.3 | 93% | 0.925 | 71% | 0.712 | S | S | * | * | trans | -56.5 | 91.5 | 153.3 | -81.2 | -180 | 171.7 | 161.5 | -1.3 | 109.1 | K1819 | R1817-K1819 PolarHBondContact O-N 3.25Š| ||
| 1818 | I | 25.7 | Very low | 26.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 65% | 0.651 | 71% | 0.712 | S | S | * | * | trans | -64.9 | 95.1 | 154.7 | -62.6 | 177.3 | 0 | 0 | 0 | 103.7 | K1816 Y1820 | K1816-I1818 PolarHBondContact O-N 3.44Å; I1818-Y1820 PolarHBondContact O-N 3.23Å | ||
| 1819 | K | 26 | Very low | 26.7 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 64% | 0.635 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 116.2 | 156.9 | -69.2 | 178.7 | 178.6 | 177.3 | 0 | 104.1 | R1817 C1821 E2280 | R1817-K1819 PolarHBondContact O-N 3.25Å; K1819-C1821 PolarHBondContact O-N 3.1Å; K1819-E2280 IonicContact NZ-OE1 3.5Å; K1819-E2280 IonicContact NZ-OE2 2.64Å; K1819-E2280 PolarHBondContact NZ-OE2 2.94Å |
| 1820 | Y | 28.2 | Very low | 27.1 | Very low | 225 Ų | 225 | 129.1 Ų | 129.1 | 88% | 0.882 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 116.5 | 178.3 | -108.3 | -85.2 | 0 | 0 | 0 | 106.8 | I1818 N1822 | I1818-Y1820 PolarHBondContact O-N 3.23Å; Y1820-N1822 PolarHBondContact O-N 2.8Å |
| 1821 | C | 24.8 | Very low | 27.2 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 46% | 0.459 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -69.8 | 124.6 | -174.5 | -165.5 | 0 | 0 | 0 | 0 | 107.4 | K1819 C1823 | K1819-C1821 PolarHBondContact O-N 3.1Å; C1821-C1823 PolarHBondContact O-N 2.86Å |
| 1822 | N | 26.9 | Very low | 27.3 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 65% | 0.652 | 67% | 0.665 | S | S | * | * | trans | -62.5 | 88.8 | 154.1 | -79.5 | -6.1 | 0 | 0 | 0 | 107.2 | F715 Y1820 | F715-N1822 VanDerWaalsContact CE1-ND2 3.29Å; F715-N1822 WeakPolarHBondContact CE1-ND2 3.37Å; F715-N1822 VanDerWaalsContact CZ-ND2 3.32Å; F715-N1822 WeakPolarHBondContact CZ-ND2 3.4Å; Y1820-N1822 PolarHBondContact O-N 2.8Å | ||
| 1823 | C | 27.9 | Very low | 27.3 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 69% | 0.689 | 67% | 0.67 | S | S | * | * | trans | -154.6 | 141.7 | 161.4 | -91.5 | 0 | 0 | 0 | 0 | 107.7 | C1821 | C1821-C1823 PolarHBondContact O-N 2.86Š| ||
| 1824 | S | 30.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -83.6 | 175.9 | -170.3 | -56.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1825 | C | 28.6 | Very low | 27.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 73% | 0.73 | 68% | 0.683 | S | S | * | * | trans | 87.6 | 100.9 | 155.8 | -59.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1826 | H | 34.7 | Very low | 27.7 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 48% | 0.481 | 68% | 0.683 | S | S | . | * | 76.7 | 114 | 127.3 | -80.7 | -92.2 | 0 | 0 | 0 | 119.1 | Q774 R775 S1828 | Q774-H1826 PolarHBondContact OE1-CE1 3.09Å; Q774-H1826 PolarHBondContact OE1-ND1 3.1Å; R775-H1826 PolarHBondContact NH1-CE1 2.73Å; R775-H1826 VanDerWaalsContact NH1-CE1 3.29Å; R775-H1826 PolarHBondContact NH1-NE2 2.96Å; R775-H1826 PolarHBondContact NH2-CE1 3.24Å; R775-H1826 PolarHBondContact NH2-NE2 2.88Å; H1826-S1828 PolarHBondContact O-N 3.01Å | |||
| 1827 | K | 32.1 | Very low | 28.1 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 76% | 0.761 | 68% | 0.678 | S | S | * | * | trans | -46.9 | 136.8 | 131 | -75.8 | -172.1 | 173.2 | -169.7 | 0 | 107.3 | ||||
| 1828 | S | 24.4 | Very low | 28.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | trans | -57.3 | -144.6 | 165.4 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | Q774 H1826 | Q774-S1828 WeakPolarHBondContact CG-O 3.46Å; Q774-S1828 PolarHBondContact NE2-O 2.81Å; H1826-S1828 PolarHBondContact O-N 3.01Å | ||
| 1829 | V | 27.2 | Very low | 28.3 | Very low | 42 Ų | 42 | 127.4 Ų | 127.4 | 26% | 0.255 | 68% | 0.681 | S | S | . | * | trans | 78.2 | 80.7 | 169.7 | -140.6 | 0 | 0 | 0 | 0 | 106.9 | L772 S773 Q774 | L772-V1829 VanDerWaalsContact CD2-CA 3.45Å; S773-V1829 CarbonylContact C-O 3.1Å; S773-V1829 VanDerWaalsContact CA-CG1 3.48Å; S773-V1829 WeakPolarHBondContact CA-O 3.36Å; S773-V1829 WeakPolarHBondContact CB-O 3.28Å; S773-V1829 WeakPolarHBondContact O-CB 3.22Å; S773-V1829 WeakPolarHBondContact O-CG1 3.37Å; Q774-V1829 WeakPolarHBondContact CG-O 3.29Å; Q774-V1829 PolarHBondContact NE2-O 2.94Å; Q774-V1829 VanDerWaalsContact NE2-O 3.09Å | ||
| 1830 | E | 27.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 125.2 Ų | 125.2 | 58% | 0.584 | 68% | 0.684 | S | S | * | * | trans | -166.3 | 137.6 | 157.6 | -165.9 | 52.9 | -82.4 | 0 | 0 | 115.6 | L772 S773 | L772-E1830 VanDerWaalsContact CB-N 3.34Å; L772-E1830 WeakPolarHBondContact CD1-O 3.26Å; S773-E1830 VanDerWaalsContact CB-OE1 3.24Å; S773-E1830 WeakPolarHBondContact CB-OE1 3.46Å; S773-E1830 WeakPolarHBondContact CB-OE2 3.44Å; S773-E1830 PolarHBondContact OG-OE2 3.17Å | ||
| 1831 | H | 28.2 | Very low | 28.1 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 40% | 0.403 | 68% | 0.682 | S | S | . | * | trans | -120 | 132.6 | -167.6 | -115 | -48.9 | 0 | 0 | 0 | 117.4 | S770 L772 | S770-H1831 PolarHBondContact OG-CE1 3.1Å; S770-H1831 PolarHBondContact OG-NE2 3.2Å; S770-H1831 VanDerWaalsContact OG-NE2 3.08Å; L772-H1831 HydrophobicContact CB-CB 4.23Å; L772-H1831 HydrophobicContact CD1-CB 3.68Å; L772-H1831 WeakPolarHBondContact CD1-CD2 3.43Å; L772-H1831 HydrophobicContact CG-CB 4.47Å | ||
| 1832 | L | 26 | Very low | 28.1 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | trans | 64 | 151.9 | 157.1 | -57.8 | 164.6 | 0 | 0 | 0 | 117.5 | ||||
| 1833 | K | 27.2 | Very low | 28 | Very low | 190 Ų | 190 | 128.8 Ų | 128.8 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | cis | -146.9 | -166.6 | -1.1 | -137.6 | 169 | -175.9 | -177.6 | 0 | 110.3 | ||||
| 1834 | T | 26.9 | Very low | 27.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 69% | 0.687 | S | S | * | * | trans | -111.1 | 173.9 | -160.4 | 52 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1835 | T | 26.9 | Very low | 27.7 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 85% | 0.853 | 68% | 0.684 | S | S | * | * | trans | 80.6 | 158.2 | 151.3 | 28.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1836 | K | 30.2 | Very low | 27.6 | Very low | 201 Ų | 201 | 131.2 Ų | 131.2 | 87% | 0.874 | 68% | 0.681 | S | S | * | * | trans | -114.1 | -171.5 | 178 | -35.8 | 173 | -179.8 | 174.6 | 0 | 109.5 | ||||
| 1837 | P | 34 | Very low | 27.3 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 68% | 0.675 | 70% | 0.696 | S | S | * | * | cis | -131.4 | -177.2 | -20.1 | 40.7 | -24.2 | 0 | 0 | 0 | 114.3 | ||||
| 1838 | N | 29.1 | Very low | 26.9 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 69% | 0.692 | S | S | * | * | trans | 60.9 | 165 | 157.1 | -76.3 | 8 | 0 | 0 | 0 | 121.7 | ||||
| 1839 | S | 27.7 | Very low | 27.1 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 70% | 0.696 | S | S | * | * | trans | 80.5 | 148 | 168.6 | -158.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1840 | S | 25.4 | Very low | 27 | Very low | 99 Ų | 99 | 136.4 Ų | 136.4 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | trans | 36.3 | 109.6 | 153.5 | 50.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1841 | R | 23.5 | Very low | 26.9 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | 89.7 | 128 | 64.2 | 178.1 | -179.9 | 177.6 | 172.1 | 1.2 | 111.6 | |||||
| 1842 | T | 24.3 | Very low | 26.8 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | 60.1 | 144.9 | 170.1 | 45.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1843 | E | 25.9 | Very low | 26.8 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | cis | -169.8 | 173.5 | -24.5 | -125.3 | -169.9 | -108.6 | 0 | 0 | 108.3 | ||||
| 1844 | T | 25.6 | Very low | 26.7 | Very low | 83 Ų | 83 | 133.7 Ų | 133.7 | 51% | 0.509 | 73% | 0.731 | S | S | . | * | cis | -141.4 | -148.4 | -11 | -23.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1845 | K | 25.7 | Very low | 27.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | 33.6 | 129.8 | 133 | -65.7 | 164.8 | -176.4 | 175.7 | 0 | 120.4 | ||||
| 1846 | D | 27.7 | Very low | 27.4 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | cis | -149.7 | 152.1 | -3.6 | -99.3 | -35 | 0 | 0 | 0 | 113.4 | ||||
| 1847 | L | 27.5 | Very low | 27.2 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | 31.2 | 142.7 | 141.9 | -56 | 167.8 | 0 | 0 | 0 | 119.5 | ||||
| 1848 | S | 25.1 | Very low | 26.7 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | cis | 164.4 | 177.3 | 1.2 | 64.5 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 1849 | L | 26.7 | Very low | 26.4 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 74% | 0.738 | 72% | 0.719 | S | S | * | * | cis | -158.4 | 162.3 | -10.5 | -151.5 | 58.3 | 0 | 0 | 0 | 107.7 | ||||
| 1850 | I | 27.1 | Very low | 26.2 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | trans | 67.7 | 124.8 | 159.9 | -76.8 | 152 | 0 | 0 | 0 | 117.4 | ||||
| 1851 | D | 25 | Very low | 26.2 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | cis | 91.6 | 150.1 | 40.4 | -69.1 | -42 | 0 | 0 | 0 | 113.5 | ||||
| 1852 | V | 25.9 | Very low | 26.3 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | cis | -147.2 | 161.5 | 2.4 | 95.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1853 | S | 24.6 | Very low | 26.4 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | trans | 6 | 138.2 | 155.4 | -66.4 | 0 | 0 | 0 | 0 | 123 | ||||
| 1854 | N | 26.3 | Very low | 26.4 | Very low | 151 Ų | 151 | 138.2 Ų | 138.2 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | 91 | -177.4 | 63.8 | -130.4 | 5 | 0 | 0 | 0 | 111.9 | |||||
| 1855 | P | 40.6 | Very low | 26.4 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | trans | -131.9 | -161.8 | -133 | 42.1 | -19.9 | 0 | 0 | 0 | 115 | ||||
| 1856 | S | 27.9 | Very low | 26.4 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 88% | 0.881 | 68% | 0.683 | S | S | * | * | trans | 73.4 | 162.5 | 171.4 | 82.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1857 | G | 25.3 | Very low | 26.2 | Very low | 63 Ų | 63 | 128.4 Ų | 128.4 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | trans | 115 | 133.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1858 | Y | 23.7 | Very low | 26.1 | Very low | 209 Ų | 209 | 130.9 Ų | 130.9 | 82% | 0.82 | 68% | 0.678 | S | S | * | * | trans | 39.9 | 112 | 151 | -70.2 | -102.2 | 0 | 0 | 0 | 119.6 | ||||
| 1859 | R | 22.9 | Very low | 26.2 | Very low | 199 Ų | 199 | 132.1 Ų | 132.1 | 75% | 0.751 | 67% | 0.673 | S | S | * | * | 56.1 | 123.9 | 73.8 | -71.9 | -175.6 | 166 | -174.4 | -1.9 | 114.5 | |||||
| 1860 | R | 23.8 | Very low | 26.6 | Very low | 218 Ų | 218 | 129.1 Ų | 129.1 | 82% | 0.823 | 66% | 0.662 | S | S | * | * | trans | 58.3 | 112.9 | 150.7 | -63.9 | 178.8 | 176.2 | -178.2 | -1.7 | 115.2 | ||||
| 1861 | I | 26.1 | Very low | 26.3 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 71% | 0.708 | 66% | 0.662 | S | S | * | * | -177.7 | 140.1 | 80.6 | -104.4 | 140.7 | 0 | 0 | 0 | 111.6 | |||||
| 1862 | K | 25.1 | Very low | 26.3 | Very low | 173 Ų | 173 | 128.6 Ų | 128.6 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | trans | 41.5 | 136 | 149.1 | -57.3 | 170.6 | -167.5 | 171.8 | 0 | 119.2 | ||||
| 1863 | Q | 26.9 | Very low | 26.2 | Very low | 137 Ų | 137 | 131.2 Ų | 131.2 | 64% | 0.64 | 66% | 0.662 | S | S | * | * | cis | -171.8 | 140.4 | 15.2 | -115 | 170.3 | 34.3 | 0 | 0 | 113.3 | ||||
| 1864 | K | 24.8 | Very low | 26.1 | Very low | 155 Ų | 155 | 130.8 Ų | 130.8 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | trans | 43.7 | 132 | 144.4 | -63.9 | -179.8 | 179.9 | -179.4 | 0 | 120.6 | ||||
| 1865 | A | 26.5 | Very low | 26.1 | Very low | 31 Ų | 31 | 127.6 Ų | 127.6 | 26% | 0.256 | 63% | 0.633 | S | S | . | * | cis | -168.7 | 170.9 | 28.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | T2037 K2038 | A1865-T2037 VanDerWaalsContact CB-O 3.23Å; A1865-T2037 WeakPolarHBondContact CB-O 3.47Å; A1865-K2038 HydrophobicContact CB-CB 4.18Å | ||
| 1866 | H | 25.2 | Very low | 25.3 | Very low | 68 Ų | 68 | 127.2 Ų | 127.2 | 32% | 0.315 | 63% | 0.626 | S | S | . | * | trans | 36 | 121.7 | 137.1 | -62.8 | -132.9 | 0 | 0 | 0 | 122 | R709 R1505 | R709-H1866 PolarHBondContact NH1-CD2 2.91Å; R709-H1866 PolarHBondContact NH1-NE2 2.79Å; R709-H1866 PolarHBondContact NH2-CD2 3.38Å; R709-H1866 VanDerWaalsContact NH2-CD2 3.31Å; R709-H1866 PolarHBondContact NH2-CE1 2.96Å; R709-H1866 PolarHBondContact NH2-NE2 2.84Å; R1505-H1866 PolarHBondContact NH2-O 3.06Å | ||
| 1867 | S | 24.2 | Very low | 25.2 | Very low | 67 Ų | 67 | 125 Ų | 125 | 47% | 0.469 | 62% | 0.615 | S | S | . | * | 74.2 | 150.4 | 96.4 | 77.6 | 0 | 0 | 0 | 0 | 117.1 | R1505 | R1505-S1867 PolarHBondContact NH2-O 2.78Å; R1505-S1867 PolarHBondContact NH2-OG 2.68Å | |||
| 1868 | F | 23.7 | Very low | 25.2 | Very low | 203 Ų | 203 | 128.5 Ų | 128.5 | 89% | 0.89 | 61% | 0.613 | S | S | * | * | cis | -151.5 | -166.5 | 30.7 | -130.2 | -82.3 | 0 | 0 | 0 | 114.2 | ||||
| 1869 | E | 27.7 | Very low | 25.3 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 57% | 0.57 | 61% | 0.611 | S | S | * | * | trans | -88.1 | -148.3 | 176.6 | -154.5 | -159.7 | -113.3 | 0 | 0 | 112.8 | K2269 | E1869-K2269 IonicContact OE2-NZ 3.1Š| ||
| 1870 | P | 34.8 | Very low | 25.3 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 51% | 0.506 | 61% | 0.609 | S | S | . | * | trans | -114.9 | -165.7 | -133.2 | 41.7 | -21.9 | 0 | 0 | 0 | 115.4 | ||||
| 1871 | F | 22.2 | Very low | 25.3 | Very low | 156 Ų | 156 | 115.3 Ų | 115.3 | 68% | 0.684 | 60% | 0.598 | S | S | * | * | trans | 114.3 | 123.8 | 160.2 | -76.1 | -77.9 | 0 | 0 | 0 | 119.6 | K2269 | F1871-K2269 HydrophobicContact CE2-CD 4.35Š| ||
| 1872 | S | 23.7 | Very low | 25.3 | Very low | 90 Ų | 90 | 115.2 Ų | 115.2 | 63% | 0.629 | 59% | 0.594 | S | S | * | * | trans | 19.1 | 142.5 | 137.7 | 67.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1873 | K | 24.1 | Very low | 25.3 | Very low | 176 Ų | 176 | 110.4 Ų | 110.4 | 77% | 0.765 | 57% | 0.574 | S | S | * | * | trans | 66.7 | 131.4 | 159 | -64.6 | -180 | 177.2 | -175.5 | 0 | 113.2 | ||||
| 1874 | I | 23.5 | Very low | 25.3 | Very low | 88 Ų | 88 | 112.2 Ų | 112.2 | 45% | 0.451 | 58% | 0.576 | S | S | . | * | -158.2 | 137.8 | 53.4 | -106.9 | 117 | 0 | 0 | 0 | 107.9 | L494 | L494-I1874 HydrophobicContact CD1-CD1 3.63Å; L494-I1874 HydrophobicContact CD1-CG1 4.27Å; L494-I1874 HydrophobicContact CD2-CD1 3.92Å; L494-I1874 HydrophobicContact CD2-CG1 4.37Å; L494-I1874 HydrophobicContact CG-CD1 3.67Å; L494-I1874 HydrophobicContact CG-CG1 3.9Å | |||
| 1875 | I | 25.7 | Very low | 25.2 | Very low | 83 Ų | 83 | 109.2 Ų | 109.2 | 43% | 0.426 | 57% | 0.571 | S | S | . | * | 61 | 129.1 | 84.1 | -79.2 | 171 | 0 | 0 | 0 | 110.4 | P495 | P495-I1875 HydrophobicContact CG-CD1 3.67Š| |||
| 1876 | N | 23.9 | Very low | 25 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | cis | -176.4 | 159.6 | 6.4 | 158.9 | 18.9 | 0 | 0 | 0 | 108.2 | T492 | T492-N1876 HydrophobicContact CG2-CB 3.69Å; T492-N1876 VanDerWaalsContact CG2-ND2 3.34Å; T492-N1876 WeakPolarHBondContact CG2-ND2 3.29Å; T492-N1876 WeakPolarHBondContact CG2-O 3.28Å; T492-N1876 PolarHBondContact OG1-O 3.19Å | ||
| 1877 | A | 25.2 | Very low | 24.9 | Very low | 78 Ų | 78 | 114.7 Ų | 114.7 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | trans | -162.2 | 128.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1878 | K | 26.1 | Very low | 24.8 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | trans | -74.3 | 166.6 | 163.8 | -89.1 | -165.5 | 174.3 | -156.6 | 0 | 109.9 | ||||
| 1879 | P | 26 | Very low | 24.9 | Very low | 120 Ų | 120 | 115.9 Ų | 115.9 | 78% | 0.779 | 62% | 0.619 | S | S | * | * | cis | -139.5 | -171.4 | 33.4 | 44 | -24.8 | 0 | 0 | 0 | 114.3 | ||||
| 1880 | S | 22.5 | Very low | 24.7 | Very low | 101 Ų | 101 | 113.3 Ų | 113.3 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | cis | -155.2 | 169.5 | -18.4 | 31 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1881 | E | 23.9 | Very low | 24.2 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 60% | 0.598 | 64% | 0.636 | S | S | * | * | trans | -71.4 | -178.8 | -178.4 | -66.6 | 110.8 | 128.4 | 0 | 0 | 116.7 | ||||
| 1882 | H | 25.8 | Very low | 24.2 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 63% | 0.625 | 64% | 0.637 | S | S | * | * | trans | 88 | 133.8 | 164.7 | -48.1 | -71.1 | 0 | 0 | 0 | 117.3 | ||||
| 1883 | H | 25.8 | Very low | 24.3 | Very low | 72 Ų | 72 | 114 Ų | 114 | 33% | 0.333 | 65% | 0.645 | S | S | . | * | cis | -163.1 | 139.4 | -6.7 | -117.1 | -42.4 | 0 | 0 | 0 | 111.1 | ||||
| 1884 | Y | 26.3 | Very low | 24.3 | Very low | 176 Ų | 176 | 114 Ų | 114 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | trans | 63.1 | 159.6 | 139.1 | -78.1 | -160 | 0 | 0 | 0 | 119.4 | ||||
| 1885 | T | 23.3 | Very low | 24.3 | Very low | 91 Ų | 91 | 113 Ų | 113 | 56% | 0.558 | 66% | 0.657 | S | S | * | * | cis | -159 | 163 | -17.2 | 19.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 1886 | S | 22.2 | Very low | 24.2 | Very low | 102 Ų | 102 | 113.2 Ų | 113.2 | 71% | 0.713 | 66% | 0.662 | S | S | * | * | trans | 44.9 | 129.2 | 149 | 64.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1887 | V | 22.9 | Very low | 24.4 | Very low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | -159.5 | 161.8 | 64.5 | 157.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 1888 | C | 22.1 | Very low | 24.4 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | trans | -36.4 | 148.5 | 171.2 | -41.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1889 | F | 24.6 | Very low | 24.2 | Very low | 190 Ų | 190 | 110.8 Ų | 110.8 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | -162 | 157.4 | 112.7 | -104.9 | -70.7 | 0 | 0 | 0 | 110.3 | |||||
| 1890 | G | 23.9 | Very low | 24.1 | Very low | 68 Ų | 68 | 113.8 Ų | 113.8 | 70% | 0.701 | 66% | 0.663 | S | S | * | * | trans | -96.1 | -158.9 | -167 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1891 | D | 24.5 | Very low | 24.1 | Very low | 136 Ų | 136 | 114.1 Ų | 114.1 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | trans | -63 | 131.6 | -167.2 | -59.4 | -90.1 | 0 | 0 | 0 | 116.3 | ||||
| 1892 | A | 22.5 | Very low | 24.1 | Very low | 87 Ų | 87 | 112 Ų | 112 | 72% | 0.719 | 67% | 0.67 | S | S | * | * | trans | -165.7 | 96.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1893 | S | 25.1 | Very low | 23.9 | Very low | 114 Ų | 114 | 110.3 Ų | 110.3 | 80% | 0.797 | 67% | 0.674 | S | S | * | * | trans | 176 | 128.1 | 135.7 | 37.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1894 | K | 24.7 | Very low | 23.9 | Very low | 176 Ų | 176 | 111.6 Ų | 111.6 | 77% | 0.765 | 69% | 0.691 | S | S | * | * | cis | 56.7 | 90.4 | 0.8 | -77.9 | 177.8 | -179.3 | 167.8 | 0 | 114.5 | E1344 | E1344-K1894 WeakPolarHBondContact OE1-CA 3.48Å; E1344-K1894 WeakPolarHBondContact OE1-CB 3.41Å | ||
| 1895 | G | 23.7 | Very low | 23.8 | Very low | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | trans | -132.9 | 53.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 114 | E1344 | E1344-G1895 PolarHBondContact OE1-N 3.44Š| ||
| 1896 | V | 23.1 | Very low | 23.9 | Very low | 88 Ų | 88 | 112 Ų | 112 | 53% | 0.533 | 70% | 0.7 | S | S | . | * | trans | 72.7 | 93.3 | 147.3 | -176.9 | 0 | 0 | 0 | 0 | 116.7 | E1344 | E1344-V1896 HydrophobicContact CB-CB 4.39Å; E1344-V1896 HydrophobicContact CB-CG2 4.02Å; E1344-V1896 PolarHBondContact OE1-N 2.67Å; E1344-V1896 VanDerWaalsContact OE2-CA 3.3Å; E1344-V1896 WeakPolarHBondContact OE2-CA 3.38Å; E1344-V1896 PolarHBondContact OE2-N 3.33Å | ||
| 1897 | V | 28.4 | Very low | 24 | Very low | 47 Ų | 47 | 113.4 Ų | 113.4 | 29% | 0.285 | 70% | 0.695 | S | S | . | * | 27.1 | 127.6 | 110.3 | 152.3 | 0 | 0 | 0 | 0 | 116.6 | E1344 | E1344-V1897 HydrophobicContact CB-CB 3.94Å; E1344-V1897 HydrophobicContact CB-CG2 3.92Å; E1344-V1897 PolarHBondContact OE2-N 2.87Å; E1344-V1897 VanDerWaalsContact OE2-N 3.16Å | |||
| 1898 | P | 24.5 | Very low | 24.2 | Very low | 128 Ų | 128 | 111.6 Ų | 111.6 | 83% | 0.831 | 68% | 0.679 | S | S | * | * | -111.1 | 119.6 | 82.7 | -12.7 | 30.8 | 0 | 0 | 0 | 114.3 | |||||
| 1899 | S | 23.3 | Very low | 24.4 | Very low | 83 Ų | 83 | 111.5 Ų | 111.5 | 58% | 0.58 | 67% | 0.665 | S | S | * | * | trans | -84.7 | 109.7 | 142.9 | 53.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1900 | E | 23.5 | Very low | 24.6 | Very low | 182 Ų | 182 | 105.5 Ų | 105.5 | 85% | 0.85 | 64% | 0.639 | S | S | * | * | trans | -151.3 | 141.6 | 158.1 | -119 | 160.6 | -136.2 | 0 | 0 | 111.7 | ||||
| 1901 | S | 22.6 | Very low | 24.8 | Very low | 109 Ų | 109 | 110.1 Ų | 110.1 | 76% | 0.762 | 64% | 0.636 | S | S | * | * | trans | -38.6 | 162.2 | 163.5 | 53.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1902 | A | 23.5 | Very low | 24.9 | Very low | 83 Ų | 83 | 112 Ų | 112 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | cis | -145.6 | 165.7 | 14.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1903 | S | 22.4 | Very low | 25.3 | Very low | 99 Ų | 99 | 115.9 Ų | 115.9 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | trans | -14.3 | 148.9 | 158.4 | 54 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1904 | S | 24.2 | Very low | 25.5 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | trans | 78.3 | 145.3 | 147.3 | 82.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1905 | N | 23.9 | Very low | 25.6 | Very low | 137 Ų | 137 | 118.1 Ų | 118.1 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | cis | -165.1 | 165.7 | -5.9 | -120.4 | 6.2 | 0 | 0 | 0 | 111.9 | ||||
| 1906 | I | 25.7 | Very low | 25.7 | Very low | 138 Ų | 138 | 119.2 Ų | 119.2 | 71% | 0.708 | 64% | 0.638 | S | S | * | * | trans | 69.6 | 124.1 | 154.3 | -64.9 | 156.8 | 0 | 0 | 0 | 116 | ||||
| 1907 | Q | 24.7 | Very low | 25.8 | Very low | 133 Ų | 133 | 121.9 Ų | 121.9 | 62% | 0.621 | 65% | 0.649 | S | S | * | * | cis | 73.8 | 149.1 | 44.9 | -69.5 | -178.5 | -80.3 | 0 | 0 | 113.6 | S962 | S962-Q1907 CarbonylContact O-C 3.56Š| ||
| 1908 | E | 27.3 | Very low | 25.6 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 35% | 0.346 | 67% | 0.669 | S | S | . | * | cis | -156.4 | 175.7 | -4 | -128.8 | 173.9 | 177.4 | 0 | 0 | 117.8 | A960 S962 | A960-E1908 VanDerWaalsContact C-CG 3.49Å; A960-E1908 VanDerWaalsContact C-OE1 3.32Å; A960-E1908 WeakPolarHBondContact CA-OE1 3.45Å; A960-E1908 PolarHBondContact N-OE1 2.79Å; S962-E1908 WeakPolarHBondContact CB-O 3.47Å; S962-E1908 VanDerWaalsContact O-CA 3.28Å; S962-E1908 WeakPolarHBondContact O-CA 3.48Å; S962-E1908 PolarHBondContact O-N 3.06Å; S962-E1908 VanDerWaalsContact O-N 3.11Å | ||
| 1909 | Y | 25.8 | Very low | 25.7 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 40% | 0.404 | 67% | 0.669 | S | S | . | * | trans | 76.9 | 95.1 | 159.3 | -101.2 | -98.7 | 0 | 0 | 0 | 127.4 | D959 A960 N961 S962 R1911 | D959-Y1909 WeakPolarHBondContact CB-OH 3.2Å; A960-Y1909 WeakPolarHBondContact O-CA 3.32Å; A960-Y1909 WeakPolarHBondContact O-CD2 3.13Å; A960-Y1909 PolarHBondContact O-N 2.91Å; N961-Y1909 CarbonylContact O-C 2.97Å; N961-Y1909 WeakPolarHBondContact O-CA 3.29Å; N961-Y1909 PolarHBondContact O-N 3.32Å; S962-Y1909 VanDerWaalsContact CB-C 3.44Å; S962-Y1909 VanDerWaalsContact CB-N 3.32Å; Y1909-R1911 PolarHBondContact OH-NH2 3.12Å | ||
| 1910 | Q | 29.8 | Very low | 25.8 | Very low | 65 Ų | 65 | 135 Ų | 135 | 30% | 0.304 | 68% | 0.678 | S | S | . | * | 48.6 | -175.3 | 123 | -52.4 | -153.8 | -34.3 | 0 | 0 | 123.4 | D959 A960 N961 | D959-Q1910 PolarHBondContact OD1-NE2 2.8Å; D959-Q1910 PolarHBondContact OD2-NE2 3.18Å; D959-Q1910 PolarHBondContact OD2-OE1 2.99Å; A960-Q1910 HydrophobicContact CB-CG 3.96Å; A960-Q1910 WeakPolarHBondContact O-CG 3.38Å; N961-Q1910 PolarHBondContact O-N 2.92Å | |||
| 1911 | R | 28.3 | Very low | 25.9 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 62% | 0.619 | 67% | 0.671 | S | S | * | * | cis | -160.5 | 168.3 | 9.9 | -151 | 168.8 | -136.3 | 175.8 | 14.9 | 115 | D959 Y1909 | D959-R1911 IonicContact OD2-NH2 2.67Å; D959-R1911 PolarHBondContact OD2-NH2 3.04Å; Y1909-R1911 PolarHBondContact OH-NH2 3.12Å | ||
| 1912 | K | 26.9 | Very low | 26.1 | Very low | 175 Ų | 175 | 132.9 Ų | 132.9 | 76% | 0.761 | 67% | 0.668 | S | S | * | * | trans | 79.7 | 154.2 | 163.5 | -54.3 | 169.7 | -174.4 | 169.9 | 0 | 118.1 | ||||
| 1913 | H | 30.7 | Very low | 26.3 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 67% | 0.667 | S | S | * | * | cis | -154.1 | 167.1 | 20 | -131.5 | -65 | 0 | 0 | 0 | 114.8 | ||||
| 1914 | I | 27.6 | Very low | 26.6 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 72% | 0.723 | 67% | 0.671 | S | S | * | * | trans | -106.2 | 148.3 | -172.2 | -60.4 | 157.8 | 0 | 0 | 0 | 115 | ||||
| 1915 | K | 28.6 | Very low | 26.7 | Very low | 196 Ų | 196 | 139.7 Ų | 139.7 | 85% | 0.852 | 67% | 0.669 | S | S | * | * | trans | 151.8 | 160 | 149.1 | -86.3 | 158.8 | -174.4 | 177.2 | 0 | 112.5 | ||||
| 1916 | S | 25.5 | Very low | 26.7 | Very low | 90 Ų | 90 | 138 Ų | 138 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | cis | -176 | 151.6 | -29.2 | 60 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1917 | L | 25.3 | Very low | 26.8 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | trans | 68 | 122.7 | 145.8 | -71.5 | 160.6 | 0 | 0 | 0 | 123.9 | ||||
| 1918 | N | 24.5 | Very low | 26.8 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | trans | 57.5 | 121.8 | 130.4 | -78 | -15.6 | 0 | 0 | 0 | 123.8 | ||||
| 1919 | R | 26.5 | Very low | 26.8 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | 175 | 139.3 | 103.8 | -99.4 | 156.3 | 178.9 | -178.6 | 0.3 | 116.3 | |||||
| 1920 | K | 24.8 | Very low | 26.7 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | 69 | 151.8 | 145.5 | -69.5 | 176.4 | -178.7 | -172.6 | 0 | 117.8 | ||||
| 1921 | S | 25.5 | Very low | 26.5 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | cis | -179.1 | 156.5 | -5.7 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1922 | H | 26.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | cis | -170.3 | 147.7 | -16.4 | -121.6 | -106 | 0 | 0 | 0 | 108.8 | ||||
| 1923 | H | 27.2 | Very low | 26.1 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.667 | 74% | 0.738 | S | S | * | * | trans | 62.1 | 167.6 | 169.4 | -51 | -68.5 | 0 | 0 | 0 | 117.3 | ||||
| 1924 | I | 30.2 | Very low | 25.9 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 73% | 0.728 | S | S | * | * | cis | -135.5 | 121.9 | 9.5 | -48.6 | 167.6 | 0 | 0 | 0 | 105.2 | ||||
| 1925 | I | 25.1 | Very low | 25.7 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | 60.8 | 132 | 75.5 | -63.6 | 167.6 | 0 | 0 | 0 | 111 | |||||
| 1926 | S | 24.6 | Very low | 25.6 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | cis | -169.2 | 152.5 | -9.6 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1927 | S | 28.2 | Very low | 25.5 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 79% | 0.79 | 74% | 0.736 | S | S | * | * | trans | -174.9 | 148.6 | 136.1 | 28.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 1928 | N | 24.2 | Very low | 25.5 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 73% | 0.734 | S | S | * | * | trans | -98.5 | 121.7 | -177.6 | -57.9 | -50.4 | 0 | 0 | 0 | 110.2 | ||||
| 1929 | I | 27 | Very low | 25.6 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 74% | 0.744 | 73% | 0.733 | S | S | * | * | trans | -133.8 | 118.9 | 161.5 | -58.4 | 179.7 | 0 | 0 | 0 | 107.1 | I1931 | I1929-I1931 PolarHBondContact O-N 2.7Š| ||
| 1930 | P | 22.8 | Very low | 25.4 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | trans | -86.5 | 101.6 | 176.2 | 32.7 | -29.9 | 0 | 0 | 0 | 109.9 | S1932 | P1930-S1932 PolarHBondContact O-N 3.49Š| ||
| 1931 | I | 26 | Very low | 25.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 65% | 0.651 | 72% | 0.72 | S | S | * | * | trans | -79.5 | 96.5 | 159 | -61 | -177.5 | 0 | 0 | 0 | 106.9 | I1929 V1933 | I1929-I1931 PolarHBondContact O-N 2.7Å; I1931-V1933 HydrophobicContact CG2-CG2 4.39Å; I1931-V1933 PolarHBondContact O-N 3.38Å | ||
| 1932 | S | 22.6 | Very low | 25.3 | Very low | 81 Ų | 81 | 132.7 Ų | 132.7 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | trans | -66.8 | 97.2 | 162.1 | 50.4 | 0 | 0 | 0 | 0 | 108.6 | P1930 N1934 | P1930-S1932 PolarHBondContact O-N 3.49Å; S1932-N1934 PolarHBondContact O-N 3.19Å | ||
| 1933 | V | 25.2 | Very low | 25.2 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | trans | -67.1 | 81.6 | 151.2 | -178.6 | 0 | 0 | 0 | 0 | 105.8 | I1931 R1935 | I1931-V1933 HydrophobicContact CG2-CG2 4.39Å; I1931-V1933 PolarHBondContact O-N 3.38Å; V1933-R1935 PolarHBondContact O-N 2.98Å | ||
| 1934 | N | 25.3 | Very low | 25 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 57% | 0.567 | 72% | 0.722 | S | S | * | * | trans | -68 | 121 | -174.4 | -116.5 | -3.4 | 0 | 0 | 0 | 107.4 | S1932 I1936 | S1932-N1934 PolarHBondContact O-N 3.19Å; N1934-I1936 HydrophobicContact CB-CD1 3.79Å; N1934-I1936 HydrophobicContact CB-CG1 3.92Å; N1934-I1936 PolarHBondContact O-N 3.09Å | ||
| 1935 | R | 24.9 | Very low | 24.7 | Very low | 249 Ų | 249 | 131.5 Ų | 131.5 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | trans | -67 | 81.7 | 161 | -79.5 | -175.4 | 170.8 | -171.5 | -4.4 | 107.5 | V1933 | V1933-R1935 PolarHBondContact O-N 2.98Š| ||
| 1936 | I | 26 | Very low | 24.6 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 67% | 0.667 | 72% | 0.724 | S | S | * | * | trans | -99.3 | 118.2 | 169.7 | -75.4 | 166 | 0 | 0 | 0 | 107.4 | N1934 | N1934-I1936 HydrophobicContact CB-CD1 3.79Å; N1934-I1936 HydrophobicContact CB-CG1 3.92Å; N1934-I1936 PolarHBondContact O-N 3.09Å | ||
| 1937 | N | 23.8 | Very low | 24.5 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | trans | -31.2 | 130.1 | 172.3 | -47.3 | -15.9 | 0 | 0 | 0 | 113.5 | ||||
| 1938 | Y | 24.3 | Very low | 24.2 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 70% | 0.698 | 71% | 0.705 | S | S | * | * | trans | -64.7 | 137.1 | 149.7 | -85 | -89.6 | 0 | 0 | 0 | 108.3 | S1940 | Y1938-S1940 PolarHBondContact O-N 3.43Å; Y1938-S1940 VanDerWaalsContact O-N 3.13Å | ||
| 1939 | P | 26.1 | Very low | 24.4 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -76.5 | 99.1 | 175 | 29.6 | -32.7 | 0 | 0 | 0 | 110.5 | ||||
| 1940 | S | 24 | Very low | 24.3 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 51% | 0.51 | 67% | 0.673 | S | S | . | * | trans | -100.9 | 117.9 | 162.6 | 44.1 | 0 | 0 | 0 | 0 | 110.7 | Y1938 | Y1938-S1940 PolarHBondContact O-N 3.43Å; Y1938-S1940 VanDerWaalsContact O-N 3.13Å | ||
| 1941 | C | 23.6 | Very low | 24.4 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 81% | 0.811 | 65% | 0.649 | S | S | * | * | trans | 62 | 90 | 159.9 | -146.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1942 | C | 23.4 | Very low | 24.5 | Very low | 117 Ų | 117 | 124 Ų | 124 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | trans | -149 | 138.2 | 137.4 | -88.5 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1943 | Y | 24.9 | Very low | 24.9 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | cis | 74.4 | 153.7 | 35.3 | -108.2 | -85.6 | 0 | 0 | 0 | 115.9 | ||||
| 1944 | C | 22.8 | Very low | 24.9 | Very low | 90 Ų | 90 | 122.8 Ų | 122.8 | 61% | 0.608 | 62% | 0.621 | S | S | * | * | trans | 73.5 | 120.3 | -155.4 | -47.7 | 0 | 0 | 0 | 0 | 112.3 | K1062 | K1062-C1944 WeakPolarHBondContact CE-O 3.1Å; K1062-C1944 PolarHBondContact NZ-O 3.24Å | ||
| 1945 | E | 23.7 | Very low | 25.1 | Very low | 147 Ų | 147 | 120 Ų | 120 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | cis | 59.1 | 84.1 | 8 | -72 | -170 | 154.4 | 0 | 0 | 115.7 | ||||
| 1946 | Q | 22.1 | Very low | 25.3 | Very low | 169 Ų | 169 | 109.9 Ų | 109.9 | 79% | 0.79 | 58% | 0.575 | S | S | * | * | -160.1 | 129.1 | 119.7 | -99.1 | 157.4 | 21.6 | 0 | 0 | 106.2 | |||||
| 1947 | I | 23.3 | Very low | 25.3 | Very low | 137 Ų | 137 | 104.8 Ų | 104.8 | 70% | 0.703 | 55% | 0.549 | S | S | * | . | 61.9 | 117 | 85.7 | -65.9 | -179.3 | 0 | 0 | 0 | 108.6 | |||||
| 1948 | D | 22.9 | Very low | 25.5 | Very low | 74 Ų | 74 | 98.8 Ų | 98.8 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | cis | -124.9 | 150.5 | 49.3 | -82.7 | -56 | 0 | 0 | 0 | 118.3 | P1156 R1157 | P1156-D1948 HydrophobicContact CB-CB 4.13Å; P1156-D1948 WeakPolarHBondContact CB-OD1 3.43Å; R1157-D1948 VanDerWaalsContact CA-OD2 3.3Å; R1157-D1948 WeakPolarHBondContact CA-OD2 3.21Å; R1157-D1948 HydrophobicContact CG-CB 4.47Å; R1157-D1948 WeakPolarHBondContact CG-OD2 3.24Å; R1157-D1948 PolarHBondContact N-OD2 3.19Å | ||
| 1949 | Y | 27.3 | Very low | 25.7 | Very low | 152 Ų | 152 | 94.5 Ų | 94.5 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | trans | -71.7 | 147 | 158.4 | -93.9 | -112.9 | 0 | 0 | 0 | 110.6 | H1154 | H1154-Y1949 AromaticContact CE1-CD1 3.31Å; H1154-Y1949 WeakPolarHBondContact CE1-CD1 3.07Å; H1154-Y1949 AromaticContact CE1-CE1 3.61Å; H1154-Y1949 AromaticContact CE1-CG 3.65Å; H1154-Y1949 AromaticContact ND1-CG 3.93Å | ||
| 1950 | H | 24.5 | Very low | 25.9 | Very low | 80 Ų | 80 | 93.4 Ų | 93.4 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | -159.3 | 103 | 107.3 | -101 | -63 | 0 | 0 | 0 | 111.2 | H1154 | H1154-H1950 AromaticContact CG-CE1 3.97Š| |||
| 1951 | S | 26.1 | Very low | 26.2 | Very low | 36 Ų | 36 | 95.3 Ų | 95.3 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | 11 | 138 | 124.5 | 65.1 | 0 | 0 | 0 | 0 | 117.7 | N407 | N407-S1951 PolarHBondContact N-O 2.75Å; N407-S1951 VanDerWaalsContact N-O 3.14Å | |||
| 1952 | H | 26.5 | Very low | 26.7 | Very low | 94 Ų | 94 | 94.2 Ų | 94.2 | 44% | 0.435 | 50% | 0.497 | S | S | . | . | -158.6 | 172.1 | 50.9 | -118.3 | -97.4 | 0 | 0 | 0 | 113 | I404 E405 S406 | I404-H1952 PolarHBondContact O-CE1 3.07Å; E405-H1952 PolarHBondContact N-CE1 3Å; E405-H1952 PolarHBondContact N-ND1 2.93Å; S406-H1952 WeakPolarHBondContact OG-CB 3.06Å | |||
| 1953 | N | 32.3 | Very low | 27.4 | Very low | 118 Ų | 118 | 93.4 Ų | 93.4 | 63% | 0.631 | 49% | 0.49 | S | S | * | . | trans | -86.8 | 158.5 | 157.7 | 7.8 | -96 | 0 | 0 | 0 | 110.4 | ||||
| 1954 | D | 25.7 | Very low | 28 | Very low | 74 Ų | 74 | 89.9 Ų | 89.9 | 40% | 0.396 | 49% | 0.487 | S | S | . | . | -169.8 | 156.3 | 114.2 | -95 | 9.7 | 0 | 0 | 0 | 109.5 | I404 | I404-D1954 WeakPolarHBondContact CA-OD2 3.06Å; I404-D1954 PolarHBondContact N-OD2 2.79Å | |||
| 1955 | V | 28.9 | Very low | 28.8 | Very low | 46 Ų | 46 | 88 Ų | 88 | 28% | 0.279 | 48% | 0.483 | S | S | . | . | cis | 124.8 | 135.8 | 5 | 152.8 | 0 | 0 | 0 | 0 | 109 | S1735 | S1735-V1955 WeakPolarHBondContact OG-CG1 3.44Š| ||
| 1956 | S | 28 | Very low | 29.4 | Very low | 37 Ų | 37 | 84 Ų | 84 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | trans | 161.8 | 39 | 177.5 | 52.3 | 0 | 0 | 0 | 0 | 122.1 | E1733 S1734 | E1733-S1956 VanDerWaalsContact CD-N 3.33Å; E1733-S1956 PolarHBondContact OE1-N 3.11Å; S1734-S1956 VanDerWaalsContact CB-N 3.32Å; S1734-S1956 WeakPolarHBondContact OG-CA 3.25Å; S1734-S1956 PolarHBondContact OG-N 2.76Å | ||
| 1957 | N | 26.6 | Very low | 29.9 | Very low | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.123 | 45% | 0.453 | C | S | . | . | trans | 103.1 | 148.4 | 152.8 | -59.1 | -62.8 | 0 | 0 | 0 | 126.3 | M399 D400 S1732 E1733 S1734 | M399-N1957 WeakPolarHBondContact CA-OD1 3.29Å; M399-N1957 HydrophobicContact CG-CB 3.98Å; M399-N1957 VanDerWaalsContact CG-OD1 3.31Å; M399-N1957 WeakPolarHBondContact CG-OD1 3.46Å; D400-N1957 VanDerWaalsContact CB-OD1 3.28Å; D400-N1957 WeakPolarHBondContact CB-OD1 3.22Å; D400-N1957 VanDerWaalsContact CG-ND2 3.29Å; D400-N1957 PolarHBondContact OD1-OD1 3.08Å; D400-N1957 PolarHBondContact OD2-ND2 3.16Å; D400-N1957 PolarHBondContact OD2-OD1 3.12Å; S1732-N1957 CarbonylContact C-O 3.57Å; S1732-N1957 VanDerWaalsContact C-O 3.23Å; E1733-N1957 VanDerWaalsContact N-C 3.34Å; E1733-N1957 PolarHBondContact N-O 3.3Å; E1733-N1957 CarbonylContact O-C 3.5Å; E1733-N1957 WeakPolarHBondContact O-CA 3.36Å; E1733-N1957 PolarHBondContact O-N 3.04Å; S1734-N1957 PolarHBondContact OG-N 2.93Å | ||
| 1958 | S | 28.5 | Very low | 30.4 | Very low | 20 Ų | 20 | 76.3 Ų | 76.3 | 14% | 0.14 | 45% | 0.446 | C | S | . | . | cis | 169 | 170.9 | -47 | 55 | 0 | 0 | 0 | 0 | 114 | S398 M399 E1733 | S398-S1958 PolarHBondContact N-O 3.31Å; M399-S1958 WeakPolarHBondContact CA-OG 3.39Å; M399-S1958 PolarHBondContact N-OG 2.97Å; E1733-S1958 VanDerWaalsContact O-CA 3.26Å; E1733-S1958 WeakPolarHBondContact O-CA 3.08Å; E1733-S1958 WeakPolarHBondContact O-CB 3.47Å; E1733-S1958 PolarHBondContact O-N 2.87Å | ||
| 1959 | M | 29.5 | Very low | 30.6 | Very low | 87 Ų | 87 | 76.3 Ų | 76.3 | 43% | 0.429 | 45% | 0.445 | S | S | . | . | trans | 68.7 | 157.8 | 148.2 | -89.6 | -170.4 | -163.4 | 0 | 0 | 120.8 | C396 K397 S398 M399 | C396-M1959 WeakPolarHBondContact CA-O 3.17Å; C396-M1959 VanDerWaalsContact CB-O 3.26Å; C396-M1959 WeakPolarHBondContact CB-O 3.46Å; K397-M1959 PolarHBondContact N-O 3.22Å; K397-M1959 VanDerWaalsContact N-O 3.08Å; S398-M1959 VanDerWaalsContact C-CB 3.48Å; S398-M1959 VanDerWaalsContact C-SD 3.52Å; M399-M1959 VanDerWaalsContact C-SD 3.59Å; M399-M1959 PolarHBondContact N-SD 3.43Å | ||
| 1960 | N | 28.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 73 Ų | 73 | 46% | 0.46 | 45% | 0.445 | S | S | . | . | cis | -156.6 | 161.2 | 27.2 | -133 | -27.1 | 0 | 0 | 0 | 117.5 | K397 S398 | K397-N1960 WeakPolarHBondContact O-CB 3.36Å; K397-N1960 PolarHBondContact O-ND2 2.74Å; K397-N1960 VanDerWaalsContact O-ND2 3.1Å; S398-N1960 PolarHBondContact O-ND2 2.91Å | ||
| 1961 | T | 31.8 | Very low | 30.8 | Very low | 113 Ų | 113 | 74.6 Ų | 74.6 | 69% | 0.693 | 47% | 0.465 | S | S | * | . | trans | 14.6 | 158 | 147.9 | 50.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 1962 | S | 32.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 76.8 Ų | 76.8 | 69% | 0.685 | 49% | 0.485 | S | S | * | . | cis | 174.5 | -154.5 | -12.1 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1963 | P | 38.6 | Very low | 30.9 | Very low | 100 Ų | 100 | 77.1 Ų | 77.1 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | cis | -132.1 | 169.7 | -41.3 | 35.2 | -17.2 | 0 | 0 | 0 | 116.1 | ||||
| 1964 | T | 37.7 | Very low | 30.8 | Very low | 107 Ų | 107 | 76 Ų | 76 | 66% | 0.656 | 50% | 0.5 | S | S | * | . | trans | 48.7 | 130.9 | 148.2 | 51.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1965 | G | 39.7 | Very low | 30.8 | Very low | 50 Ų | 50 | 83.4 Ų | 83.4 | 52% | 0.515 | 52% | 0.524 | S | S | . | . | cis | 158.1 | 167 | -11.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | G1748 | G1748-G1965 CarbonylContact O-C 2.96Å; G1748-G1965 WeakPolarHBondContact O-CA 3.3Å; G1748-G1965 PolarHBondContact O-N 3.2Å | ||
| 1966 | S | 35 | Very low | 30.6 | Very low | 63 Ų | 63 | 85.2 Ų | 85.2 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | trans | 60.1 | -169.1 | 146.5 | 94.7 | 0 | 0 | 0 | 0 | 123.1 | L1747 G1748 C1749 | L1747-S1966 WeakPolarHBondContact CA-OG 3.19Å; L1747-S1966 WeakPolarHBondContact CB-OG 3.07Å; G1748-S1966 PolarHBondContact N-OG 3.23Å; C1749-S1966 PolarHBondContact N-OG 3.14Å; C1749-S1966 CarbonylContact O-C 3.14Å; C1749-S1966 PolarHBondContact O-OG 3.26Å | ||
| 1967 | P | 33.7 | Very low | 30.4 | Very low | 61 Ų | 61 | 92.8 Ų | 92.8 | 40% | 0.396 | 57% | 0.567 | S | S | . | * | cis | -134.1 | -173.4 | 13.4 | 41.8 | -21.1 | 0 | 0 | 0 | 120.4 | L1747 I1750 | L1747-P1967 HydrophobicContact CB-CB 4.03Å; L1747-P1967 HydrophobicContact CD2-CB 3.36Å; L1747-P1967 HydrophobicContact CG-CB 3.48Å; L1747-P1967 VanDerWaalsContact CG-CB 3.48Å; I1750-P1967 VanDerWaalsContact O-CG 3.29Å; I1750-P1967 WeakPolarHBondContact O-CG 3.31Å | ||
| 1968 | C | 34.3 | Very low | 30.3 | Very low | 84 Ų | 84 | 96.1 Ų | 96.1 | 57% | 0.568 | 59% | 0.592 | S | S | * | * | trans | -144.8 | -167.7 | -175.1 | -64.9 | 0 | 0 | 0 | 0 | 114.3 | L1747 N2107 | L1747-C1968 HydrophobicContact CD1-CB 3.87Å; L1747-C1968 WeakPolarHBondContact CD2-O 3.32Å; C1968-N2107 VanDerWaalsContact O-CB 3.22Å; C1968-N2107 WeakPolarHBondContact O-CB 3.38Å | ||
| 1969 | L | 26.8 | Very low | 30.1 | Very low | 73 Ų | 73 | 101.2 Ų | 101.2 | 38% | 0.382 | 62% | 0.622 | S | S | . | * | trans | 102.2 | 153.6 | 167.8 | -59.8 | 161.2 | 0 | 0 | 0 | 117.4 | L1747 N2107 | L1747-L1969 HydrophobicContact CD1-CD1 3.94Å; L1747-L1969 HydrophobicContact CD1-CG 4.03Å; L1747-L1969 HydrophobicContact CD2-CD1 3.98Å; L1969-N2107 HydrophobicContact CB-CB 4.09Å; L1969-N2107 HydrophobicContact CD1-CB 3.86Å; L1969-N2107 HydrophobicContact CG-CB 4.5Å | ||
| 1970 | S | 29.5 | Very low | 29.8 | Very low | 84 Ų | 84 | 101.9 Ų | 101.9 | 59% | 0.587 | 64% | 0.635 | S | S | * | * | cis | -172.6 | -177.5 | -28.4 | -163.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1971 | S | 25.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 102.5 Ų | 102.5 | 79% | 0.79 | 65% | 0.647 | S | S | * | * | trans | 81.2 | 149.3 | 159.2 | 82.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1972 | A | 28.1 | Very low | 29.2 | Very low | 81 Ų | 81 | 103.9 Ų | 103.9 | 67% | 0.669 | 65% | 0.649 | S | S | * | * | cis | -170.7 | 149.6 | -25.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1973 | S | 28.2 | Very low | 29 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | trans | 64 | 150.2 | 152.2 | 73.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1974 | S | 30.2 | Very low | 28.3 | Very low | 96 Ų | 96 | 105.8 Ų | 105.8 | 67% | 0.671 | 65% | 0.65 | S | S | * | * | cis | -170.5 | -172.2 | -15.7 | 48.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1975 | Y | 25.3 | Very low | 28.1 | Very low | 229 Ų | 229 | 105 Ų | 105 | 90% | 0.898 | 64% | 0.639 | S | S | * | * | trans | 86.8 | 161.8 | -175.2 | -74 | -90.9 | 0 | 0 | 0 | 117.1 | ||||
| 1976 | S | 25 | Very low | 27.3 | Very low | 84 Ų | 84 | 107.3 Ų | 107.3 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | trans | -126.9 | 153.5 | -165.5 | 52.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1977 | F | 22.6 | Very low | 26.9 | Very low | 196 Ų | 196 | 104.9 Ų | 104.9 | 86% | 0.86 | 63% | 0.627 | S | S | * | * | 176.8 | -174.5 | 119.4 | -102.4 | -67.9 | 0 | 0 | 0 | 111.8 | |||||
| 1978 | S | 25.4 | Very low | 26.4 | Very low | 92 Ų | 92 | 106.1 Ų | 106.1 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | trans | -87.7 | 177.2 | -166.5 | -47.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1979 | T | 23.3 | Very low | 25.8 | Very low | 127 Ų | 127 | 104.7 Ų | 104.7 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | trans | 71.4 | 121.4 | 152.2 | 46.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1980 | S | 22.8 | Very low | 25.7 | Very low | 101 Ų | 101 | 106.2 Ų | 106.2 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | 75.6 | 128.4 | 130.3 | 68.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 1981 | S | 23.2 | Very low | 25.5 | Very low | 99 Ų | 99 | 106.5 Ų | 106.5 | 69% | 0.692 | 63% | 0.629 | S | S | * | * | trans | 78.9 | 112.4 | 134.9 | -67.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1982 | L | 25.8 | Very low | 25.5 | Very low | 142 Ų | 142 | 108.1 Ų | 108.1 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | 73.7 | 141.3 | 124.7 | -66.8 | 169 | 0 | 0 | 0 | 119.7 | |||||
| 1983 | D | 28.2 | Very low | 25.3 | Very low | 115 Ų | 115 | 110.4 Ų | 110.4 | 62% | 0.615 | 62% | 0.62 | S | S | * | * | trans | 45.2 | 123 | 141.1 | -54.5 | -11.7 | 0 | 0 | 0 | 119 | ||||
| 1984 | V | 24.6 | Very low | 25.2 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | -158.8 | 130.4 | 88.5 | 142.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 1985 | Q | 32.8 | Very low | 24.8 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 42% | 0.421 | 62% | 0.621 | S | S | . | * | trans | -75.8 | 159.8 | 168.5 | -62.2 | 173.7 | -94.3 | 0 | 0 | 109.8 | E931 V1987 | E931-Q1985 PolarHBondContact OE1-NE2 3.45Å; Q1985-V1987 HydrophobicContact CB-CB 3.88Å; Q1985-V1987 HydrophobicContact CB-CG2 3.44Å; Q1985-V1987 VanDerWaalsContact CB-CG2 3.44Å; Q1985-V1987 HydrophobicContact CG-CG2 4.08Å | ||
| 1986 | P | 24.1 | Very low | 25 | Very low | 99 Ų | 99 | 107.9 Ų | 107.9 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | -116 | 125.3 | 118.3 | -7 | 25.6 | 0 | 0 | 0 | 109.5 | F1988 | P1986-F1988 VanDerWaalsContact C-N 3.27Å; P1986-F1988 HydrophobicContact CB-CD2 3.94Å | |||
| 1987 | V | 26.2 | Very low | 25 | Very low | 11 Ų | 11 | 108.7 Ų | 108.7 | 7% | 0.067 | 60% | 0.597 | C | S | . | * | cis | 46.5 | 51.1 | 22 | -172 | 0 | 0 | 0 | 0 | 110.6 | E931 Y933 Q1985 D1989 | E931-V1987 HydrophobicContact CB-CG2 3.87Å; E931-V1987 VanDerWaalsContact CD-CG2 3.48Å; E931-V1987 HydrophobicContact CG-CG2 3.64Å; E931-V1987 PolarHBondContact OE1-N 2.68Å; E931-V1987 WeakPolarHBondContact OE2-CA 3.09Å; E931-V1987 PolarHBondContact OE2-N 2.78Å; Y933-V1987 HydrophobicContact CD1-CG1 3.73Å; Y933-V1987 HydrophobicContact CD2-CG2 3.91Å; Y933-V1987 HydrophobicContact CE1-CG1 4.37Å; Y933-V1987 HydrophobicContact CE2-CG2 4.39Å; Y933-V1987 HydrophobicContact CG-CG1 3.8Å; Y933-V1987 HydrophobicContact CG-CG2 3.98Å; Q1985-V1987 HydrophobicContact CB-CB 3.88Å; Q1985-V1987 HydrophobicContact CB-CG2 3.44Å; Q1985-V1987 VanDerWaalsContact CB-CG2 3.44Å; Q1985-V1987 HydrophobicContact CG-CG2 4.08Å; V1987-D1989 VanDerWaalsContact C-CB 3.5Å; V1987-D1989 HydrophobicContact CB-CB 4.42Å; V1987-D1989 HydrophobicContact CG1-CB 3.75Å | ||
| 1988 | F | 22.6 | Very low | 25.4 | Very low | 88 Ų | 88 | 101.4 Ų | 101.4 | 39% | 0.386 | 57% | 0.57 | S | S | . | * | trans | -121.9 | 65.2 | 131.4 | -83.9 | -69 | 0 | 0 | 0 | 107.6 | V1204 R1206 P1986 | V1204-F1988 HydrophobicContact CB-CZ 3.98Å; V1204-F1988 HydrophobicContact CG1-CE1 4.07Å; V1204-F1988 HydrophobicContact CG1-CZ 3.98Å; V1204-F1988 HydrophobicContact CG2-CE1 4.27Å; V1204-F1988 HydrophobicContact CG2-CZ 3.79Å; R1206-F1988 PolarHBondContact NH2-O 3.06Å; R1206-F1988 VanDerWaalsContact NH2-O 3.09Å; P1986-F1988 VanDerWaalsContact C-N 3.27Å; P1986-F1988 HydrophobicContact CB-CD2 3.94Å | ||
| 1989 | D | 22.2 | Very low | 25.3 | Very low | 54 Ų | 54 | 103.2 Ų | 103.2 | 29% | 0.289 | 56% | 0.564 | S | S | . | * | 64.2 | 111.5 | 64 | -164.4 | 1.7 | 0 | 0 | 0 | 110.9 | S932 V1987 | S932-D1989 WeakPolarHBondContact CB-OD1 3.32Å; S932-D1989 PolarHBondContact OG-OD1 3.43Å; V1987-D1989 VanDerWaalsContact C-CB 3.5Å; V1987-D1989 HydrophobicContact CB-CB 4.42Å; V1987-D1989 HydrophobicContact CG1-CB 3.75Å | |||
| 1990 | C | 24.8 | Very low | 25.5 | Very low | 105 Ų | 105 | 99.1 Ų | 99.1 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | trans | 63.2 | 173.1 | 158.6 | -89.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1991 | P | 25.6 | Very low | 25.5 | Very low | 90 Ų | 90 | 97.9 Ų | 97.9 | 58% | 0.584 | 53% | 0.53 | S | S | * | . | cis | -134.7 | 174.7 | -26.2 | 32.2 | -15 | 0 | 0 | 0 | 114.2 | ||||
| 1992 | H | 24.9 | Very low | 25.7 | Very low | 147 Ų | 147 | 98.2 Ų | 98.2 | 68% | 0.681 | 53% | 0.528 | S | S | * | . | trans | 67.8 | 140.7 | 157.6 | -64.1 | -50.8 | 0 | 0 | 0 | 115.9 | ||||
| 1993 | H | 24 | Very low | 25.7 | Very low | 129 Ų | 129 | 97 Ų | 97 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | 47.6 | 127.4 | 101.3 | -37.9 | -32.7 | 0 | 0 | 0 | 112.7 | |||||
| 1994 | F | 25.3 | Very low | 25.6 | Very low | 188 Ų | 188 | 98.5 Ų | 98.5 | 83% | 0.825 | 53% | 0.532 | S | S | * | . | cis | -123.7 | 143.3 | 34.7 | -77.7 | -102 | 0 | 0 | 0 | 113.2 | ||||
| 1995 | H | 22.9 | Very low | 25.7 | Very low | 120 Ų | 120 | 95.8 Ų | 95.8 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | 62.3 | 124.2 | 54.9 | -110 | -137.2 | 0 | 0 | 0 | 113.8 | |||||
| 1996 | I | 29.8 | Very low | 25.4 | Very low | 64 Ų | 64 | 99 Ų | 99 | 33% | 0.328 | 54% | 0.544 | S | S | . | . | trans | 88.8 | 57.9 | 134.8 | -69.7 | -168.5 | 0 | 0 | 0 | 119.5 | S920 K921 T922 | S920-I1996 CarbonylContact C-O 3.54Å; S920-I1996 VanDerWaalsContact C-O 3.24Å; S920-I1996 VanDerWaalsContact CA-CG2 3.44Å; S920-I1996 WeakPolarHBondContact CA-O 3.16Å; S920-I1996 VanDerWaalsContact CB-CG2 3.43Å; K921-I1996 PolarHBondContact N-O 2.61Å; T922-I1996 VanDerWaalsContact CG2-N 3.31Å; T922-I1996 PolarHBondContact OG1-N 3.49Å | ||
| 1997 | P | 24.1 | Very low | 25.4 | Very low | 102 Ų | 102 | 102.2 Ų | 102.2 | 66% | 0.662 | 55% | 0.548 | S | S | * | . | trans | -129.9 | 107.1 | 137.1 | 9.5 | 13 | 0 | 0 | 0 | 116.6 | S920 K921 T922 | S920-P1997 CarbonylContact O-C 3.57Å; K921-P1997 VanDerWaalsContact N-CA 3.28Å; T922-P1997 VanDerWaalsContact CA-O 3.29Å; T922-P1997 WeakPolarHBondContact CA-O 3.3Å; T922-P1997 PolarHBondContact N-O 3.04Å | ||
| 1998 | S | 30.3 | Very low | 25.2 | Very low | 42 Ų | 42 | 108.1 Ų | 108.1 | 29% | 0.294 | 59% | 0.59 | S | S | . | * | trans | -172.3 | 71.4 | 169 | 60.2 | 0 | 0 | 0 | 0 | 113.3 | S920 K921 T922 | S920-S1998 VanDerWaalsContact C-N 3.32Å; S920-S1998 CarbonylContact O-C 3.28Å; S920-S1998 PolarHBondContact O-N 2.79Å; K921-S1998 VanDerWaalsContact CB-C 3.45Å; K921-S1998 WeakPolarHBondContact CB-O 3.25Å; K921-S1998 WeakPolarHBondContact CB-OG 3.15Å; K921-S1998 PolarHBondContact O-OG 2.7Å; T922-S1998 PolarHBondContact N-OG 3.2Å; T922-S1998 VanDerWaalsContact N-OG 3.09Å; T922-S1998 PolarHBondContact O-OG 3.46Å; T922-S1998 VanDerWaalsContact O-OG 3.1Å | ||
| 1999 | Y | 24.9 | Very low | 25.3 | Very low | 130 Ų | 130 | 107.4 Ų | 107.4 | 51% | 0.51 | 61% | 0.607 | S | S | . | * | trans | -113.7 | 124.7 | 154.6 | -93 | -96.3 | 0 | 0 | 0 | 104.9 | S920 K921 | S920-Y1999 PolarHBondContact O-N 3.12Å; S920-Y1999 VanDerWaalsContact OG-CD2 3.27Å; S920-Y1999 WeakPolarHBondContact OG-CD2 3.31Å; S920-Y1999 WeakPolarHBondContact OG-CE2 3.46Å; K921-Y1999 HydrophobicContact CB-CD2 3.88Å; K921-Y1999 HydrophobicContact CB-CE2 4.14Å; K921-Y1999 HydrophobicContact CD-CD2 3.82Å; K921-Y1999 HydrophobicContact CD-CE2 3.32Å; K921-Y1999 HydrophobicContact CG-CD2 3.98Å; K921-Y1999 HydrophobicContact CG-CE2 3.69Å; K921-Y1999 VanDerWaalsContact NZ-CZ 3.31Å; K921-Y1999 PolarHBondContact NZ-OH 3.14Å | ||
| 2000 | T | 26.5 | Very low | 25.4 | Very low | 42 Ų | 42 | 115.4 Ų | 115.4 | 26% | 0.258 | 63% | 0.633 | S | S | . | * | 48.1 | 143.9 | 97.8 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | H652 V653 | H652-T2000 HydrophobicContact CB-CG2 3.79Å; V653-T2000 HydrophobicContact CB-CG2 4.33Å; V653-T2000 HydrophobicContact CG2-CG2 3.91Å | |||
| 2001 | S | 22.3 | Very low | 25.3 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 52% | 0.517 | 63% | 0.631 | S | S | . | * | -174.4 | 135.2 | 53.6 | 59.2 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 2002 | V | 27.3 | Very low | 25.3 | Very low | 106 Ų | 106 | 119 Ų | 119 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | 65.7 | -164.1 | 124 | -176.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2003 | V | 25.8 | Very low | 25.3 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 70% | 0.703 | 64% | 0.643 | S | S | * | * | trans | 62.4 | 127.4 | 169 | -68.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 2004 | I | 27.3 | Very low | 25.3 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | cis | -139.1 | 120.1 | -4.8 | -85.7 | 133.5 | 0 | 0 | 0 | 109.7 | ||||
| 2005 | G | 26.4 | Very low | 25.4 | Very low | 67 Ų | 67 | 116 Ų | 116 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | 57 | 179.1 | 117.2 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 2006 | H | 26.6 | Very low | 25.8 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 73% | 0.731 | 65% | 0.651 | S | S | * | * | trans | 63.3 | 137.5 | 171.2 | -75.4 | -151.4 | 0 | 0 | 0 | 117 | ||||
| 2007 | K | 23.4 | Very low | 25.7 | Very low | 166 Ų | 166 | 117.6 Ų | 117.6 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | cis | 163.7 | 128.7 | -17.8 | -113.8 | 173.8 | -175 | 160.4 | 0 | 103.5 | ||||
| 2008 | S | 23.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 94% | 0.937 | 65% | 0.654 | S | S | * | * | trans | 63.4 | -179 | 169.5 | -155.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2009 | G | 24.4 | Very low | 26.5 | Very low | 73 Ų | 73 | 117.8 Ų | 117.8 | 75% | 0.753 | 66% | 0.659 | S | S | * | * | trans | 118.1 | 83.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2010 | R | 23.3 | Very low | 26.7 | Very low | 222 Ų | 222 | 115 Ų | 115 | 84% | 0.838 | 66% | 0.658 | S | S | * | * | trans | -82.1 | 158.1 | -179.3 | -60.9 | 172.3 | 173.9 | 150.2 | -5.2 | 112.5 | ||||
| 2011 | N | 23.5 | Very low | 26.8 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | trans | 78.9 | 136.1 | 139.7 | -74.3 | -5.9 | 0 | 0 | 0 | 122.2 | ||||
| 2012 | H | 24.4 | Very low | 27.2 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 68% | 0.676 | 69% | 0.686 | S | S | * | * | trans | 72.8 | 125.8 | 149.8 | -63 | -28.1 | 0 | 0 | 0 | 117.2 | ||||
| 2013 | R | 25.9 | Very low | 27.3 | Very low | 220 Ų | 220 | 122 Ų | 122 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | 62.4 | 139.4 | 72.7 | -61.9 | -176.4 | 172.4 | -169.4 | -0.6 | 111.1 | |||||
| 2014 | S | 24.6 | Very low | 27.4 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | cis | -157.4 | 172.4 | 32.6 | -46 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2015 | G | 27 | Very low | 27.3 | Very low | 67 Ų | 67 | 127.3 Ų | 127.3 | 69% | 0.691 | 69% | 0.693 | S | S | * | * | trans | 94.1 | 122.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2016 | S | 32 | Very low | 27.3 | Very low | 96 Ų | 96 | 128.3 Ų | 128.3 | 67% | 0.671 | 69% | 0.69 | S | S | * | * | cis | 72.2 | 134.2 | 20.9 | -145.2 | 0 | 0 | 0 | 0 | 113.9 | E2018 | S2016-E2018 WeakPolarHBondContact OG-CG 3.29Š| ||
| 2017 | L | 25.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | -141.1 | -173.1 | 89.1 | -106.9 | 167.1 | 0 | 0 | 0 | 116.9 | N1524 L1525 | N1524-L2017 CarbonylContact C-O 3.47Å; N1524-L2017 CarbonylContact O-C 3.04Å; N1524-L2017 VanDerWaalsContact O-C 3.23Å; L1525-L2017 CarbonylContact C-O 2.85Å; L1525-L2017 PolarHBondContact N-O 3.32Å; L1525-L2017 CarbonylContact O-C 3.47Å; L1525-L2017 WeakPolarHBondContact O-CA 3.01Å; L1525-L2017 VanDerWaalsContact O-CB 3.29Å; L1525-L2017 WeakPolarHBondContact O-CB 3.34Å; L1525-L2017 PolarHBondContact O-N 3.4Å | |||
| 2018 | E | 39.1 | Very low | 27.5 | Very low | 86 Ų | 86 | 124.9 Ų | 124.9 | 40% | 0.402 | 69% | 0.689 | S | S | . | * | trans | -151.1 | 47.6 | -145.1 | -77.8 | -76.7 | -91.3 | 0 | 0 | 120 | T1522 G1523 N1524 S2016 | T1522-E2018 CarbonylContact C-O 3.54Å; T1522-E2018 WeakPolarHBondContact CB-O 3.47Å; T1522-E2018 PolarHBondContact OG1-O 2.87Å; G1523-E2018 CarbonylContact C-O 3.24Å; G1523-E2018 VanDerWaalsContact CA-OE2 3.29Å; G1523-E2018 WeakPolarHBondContact CA-OE2 2.86Å; G1523-E2018 PolarHBondContact N-O 3.03Å; G1523-E2018 VanDerWaalsContact N-O 3.12Å; G1523-E2018 PolarHBondContact N-OE1 2.83Å; G1523-E2018 PolarHBondContact N-OE2 2.72Å; G1523-E2018 CarbonylContact O-C 3.58Å; N1524-E2018 PolarHBondContact N-OE2 3.3Å; N1524-E2018 CarbonylContact O-C 3.5Å; N1524-E2018 VanDerWaalsContact O-C 3.24Å; N1524-E2018 WeakPolarHBondContact O-CA 3.32Å; N1524-E2018 PolarHBondContact O-N 3.27Å; S2016-E2018 WeakPolarHBondContact OG-CG 3.29Å | ||
| 2019 | P | 33.5 | Very low | 27.6 | Very low | 62 Ų | 62 | 127.5 Ų | 127.5 | 40% | 0.403 | 68% | 0.678 | S | S | . | * | trans | -124.1 | 155 | 161.7 | 38.9 | -32 | 0 | 0 | 0 | 118 | G1523 N1524 L1525 | G1523-P2019 CarbonylContact O-C 3.54Å; G1523-P2019 WeakPolarHBondContact O-CA 3.28Å; G1523-P2019 VanDerWaalsContact O-N 3.13Å; N1524-P2019 WeakPolarHBondContact O-CD 3.44Å; L1525-P2019 WeakPolarHBondContact CD1-O 3.43Å | ||
| 2020 | S | 29 | Very low | 27.9 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | cis | -170.3 | 127.6 | -14.7 | 49.9 | 0 | 0 | 0 | 0 | 116.8 | G1523 | G1523-S2020 PolarHBondContact O-N 2.83Š| ||
| 2021 | S | 29.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 62% | 0.622 | 66% | 0.656 | S | S | * | * | trans | 74.5 | 176.5 | 133.6 | 76.9 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 2022 | I | 30.2 | Very low | 28.6 | Very low | 143 Ų | 143 | 124.8 Ų | 124.8 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | trans | 114.7 | 92.3 | 150.5 | -75.5 | 162.5 | 0 | 0 | 0 | 122.7 | ||||
| 2023 | I | 28.5 | Very low | 29 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 70% | 0.697 | 64% | 0.643 | S | S | * | * | 82.6 | 101.6 | 121.8 | -68.2 | 178.1 | 0 | 0 | 0 | 123.8 | |||||
| 2024 | H | 27.3 | Very low | 29.3 | Very low | 154 Ų | 154 | 119.3 Ų | 119.3 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | 94.4 | 149.2 | 121.5 | -90.9 | -120.4 | 0 | 0 | 0 | 127.3 | |||||
| 2025 | R | 26.6 | Very low | 29.6 | Very low | 222 Ų | 222 | 117.3 Ų | 117.3 | 84% | 0.838 | 62% | 0.623 | S | S | * | * | trans | 77.8 | 142.7 | 152 | -74.6 | 165.5 | -165.9 | -118.8 | 5 | 120.1 | ||||
| 2026 | S | 25.1 | Very low | 29.7 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 62% | 0.622 | 61% | 0.613 | S | S | * | * | 179.5 | 139.9 | -67.9 | 51 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2027 | I | 28.8 | Very low | 29.7 | Very low | 139 Ų | 139 | 116.6 Ų | 116.6 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | trans | 66.8 | 166.4 | 151.2 | -63.8 | 161.2 | 0 | 0 | 0 | 114.5 | ||||
| 2028 | P | 26.5 | Very low | 29.9 | Very low | 112 Ų | 112 | 114.7 Ų | 114.7 | 73% | 0.727 | 58% | 0.579 | S | S | * | * | cis | -99.1 | 167.1 | -25.8 | 18.3 | 3.2 | 0 | 0 | 0 | 111.8 | ||||
| 2029 | R | 24.6 | Very low | 29.6 | Very low | 189 Ų | 189 | 113.1 Ų | 113.1 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | cis | 87.5 | 103.3 | 28.9 | -69.3 | -177.1 | 168.4 | -171.5 | 0 | 116.9 | ||||
| 2030 | K | 30.8 | Very low | 29.5 | Very low | 116 Ų | 116 | 115 Ų | 115 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | trans | 75.6 | 169.7 | 142.9 | -60 | 167.8 | -177.4 | 163.3 | 0 | 117.2 | E1511 | E1511-K2030 HydrophobicContact CG-CD 4.12Å; E1511-K2030 WeakPolarHBondContact OE1-CD 3.38Å; E1511-K2030 WeakPolarHBondContact OE1-CE 3.33Å; E1511-K2030 IonicContact OE1-NZ 2.59Å; E1511-K2030 PolarHBondContact OE1-NZ 3.47Å | ||
| 2031 | P | 28.4 | Very low | 29.7 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | cis | -126 | 172.2 | -3.7 | 22.8 | 1.1 | 0 | 0 | 0 | 117.1 | F1510 | F1510-P2031 HydrophobicContact CE2-CB 3.94Å; F1510-P2031 HydrophobicContact CZ-CB 4.02Å; F1510-P2031 HydrophobicContact CZ-CG 4.23Å | ||
| 2032 | K | 32.5 | Very low | 29.8 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 66% | 0.661 | 61% | 0.614 | S | S | * | * | trans | -75.8 | -163.6 | 162.1 | -29 | 135.5 | 170.5 | 179.3 | 0 | 109.2 | S1509 | S1509-K2032 WeakPolarHBondContact OG-CB 3.36Å; S1509-K2032 WeakPolarHBondContact OG-CD 3.45Å | ||
| 2033 | P | 34.3 | Very low | 29.8 | Very low | 63 Ų | 63 | 130 Ų | 130 | 41% | 0.409 | 62% | 0.615 | S | S | . | * | cis | -140.9 | -173.2 | -10.6 | 43.8 | -26.1 | 0 | 0 | 0 | 115.1 | L1507 S1509 | L1507-P2033 HydrophobicContact CD2-CB 4.3Å; L1507-P2033 HydrophobicContact CD2-CG 4.32Å; S1509-P2033 WeakPolarHBondContact OG-CB 3.39Å; S1509-P2033 WeakPolarHBondContact OG-CG 3.37Å | ||
| 2034 | K | 30.9 | Very low | 29.9 | Very low | 187 Ų | 187 | 130 Ų | 130 | 81% | 0.813 | 62% | 0.615 | S | S | * | * | -173.8 | 151.1 | 118.7 | -104.2 | 167.1 | -175.6 | 171.3 | 0 | 113.9 | L1507 | L1507-K2034 HydrophobicContact CD2-CG 4.49Š| |||
| 2035 | N | 31.1 | Very low | 30.1 | Very low | 73 Ų | 73 | 127.6 Ų | 127.6 | 39% | 0.39 | 62% | 0.616 | S | S | . | * | trans | -149.6 | 177.7 | 177 | -46.6 | -101.2 | 0 | 0 | 0 | 110.4 | V1506 L1507 | V1506-N2035 HydrophobicContact CB-CB 4.41Å; V1506-N2035 WeakPolarHBondContact CG1-ND2 3.5Å; V1506-N2035 WeakPolarHBondContact CG1-OD1 3.27Å; V1506-N2035 WeakPolarHBondContact O-CB 3.41Å; L1507-N2035 HydrophobicContact CD2-CB 4.38Å; L1507-N2035 HydrophobicContact CG-CB 4.07Å | ||
| 2036 | F | 29.9 | Very low | 30.4 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 48% | 0.482 | 61% | 0.614 | S | S | . | * | trans | -145.9 | 168 | 154.3 | -152.5 | -102.3 | 0 | 0 | 0 | 113.5 | R1505 | R1505-F2036 PolarHBondContact NH1-O 3.47Š| ||
| 2037 | T | 31.1 | Very low | 30.7 | Very low | 37 Ų | 37 | 127.7 Ų | 127.7 | 23% | 0.227 | 62% | 0.622 | C | S | . | * | trans | -121.9 | -154.4 | -157.7 | 72.2 | 0 | 0 | 0 | 0 | 113.7 | R1505 A1865 | R1505-T2037 HydrophobicContact CB-CG2 4.15Å; R1505-T2037 VanDerWaalsContact O-CG2 3.22Å; R1505-T2037 WeakPolarHBondContact O-CG2 3.17Å; A1865-T2037 VanDerWaalsContact CB-O 3.23Å; A1865-T2037 WeakPolarHBondContact CB-O 3.47Å | ||
| 2038 | K | 30.4 | Very low | 30.9 | Very low | 83 Ų | 83 | 125.3 Ų | 125.3 | 36% | 0.361 | 61% | 0.606 | S | S | . | * | trans | 68.9 | 120.7 | -179.3 | -55.2 | -174.1 | 180 | -170.7 | 0 | 117.2 | A1865 | A1865-K2038 HydrophobicContact CB-CB 4.18Š| ||
| 2039 | S | 32.9 | Very low | 31 | Very low | 53 Ų | 53 | 122 Ų | 122 | 37% | 0.371 | 58% | 0.581 | S | S | . | * | cis | 65.1 | 121.2 | -4 | -171.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2040 | S | 30.8 | Very low | 31 | Very low | 102 Ų | 102 | 118 Ų | 118 | 71% | 0.713 | 57% | 0.567 | S | S | * | * | trans | -174.2 | 136.9 | 140.4 | -78.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2041 | R | 33.5 | Very low | 30.8 | Very low | 191 Ų | 191 | 118.2 Ų | 118.2 | 72% | 0.721 | 57% | 0.57 | S | S | * | * | cis | 89.4 | 131.8 | 31.8 | -75.5 | -178.1 | 159.4 | -162.3 | -6.5 | 114.8 | ||||
| 2042 | R | 32.5 | Very low | 30.7 | Very low | 228 Ų | 228 | 120.6 Ų | 120.6 | 86% | 0.86 | 58% | 0.577 | S | S | * | * | trans | 163.3 | 152.3 | 133 | -90.8 | 170.2 | -176 | -149.5 | 1.2 | 110.8 | ||||
| 2043 | R | 30.1 | Very low | 30.3 | Very low | 198 Ų | 198 | 116.7 Ų | 116.7 | 75% | 0.747 | 58% | 0.58 | S | S | * | * | cis | -178.4 | 153.4 | -28.6 | -128.6 | -171 | 170.1 | -175.7 | -3.4 | 110.8 | ||||
| 2044 | L | 29.7 | Very low | 30 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 71% | 0.712 | 61% | 0.605 | S | S | * | * | trans | 67.2 | 163.1 | 154.2 | -60.8 | 167.1 | 0 | 0 | 0 | 117.6 | ||||
| 2045 | S | 32.2 | Very low | 29.6 | Very low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 60% | 0.6 | S | S | * | * | cis | -158.7 | 136.6 | 2.7 | 7 | 0 | 0 | 0 | 0 | 111 | ||||
| 2046 | V | 31.5 | Very low | 29.5 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 81% | 0.806 | 62% | 0.622 | S | S | * | * | 86.7 | 149.1 | 89 | 174.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 2047 | K | 33.3 | Very low | 29.1 | Very low | 180 Ų | 180 | 123 Ų | 123 | 78% | 0.783 | 64% | 0.635 | S | S | * | * | trans | 76.9 | 159 | 177.6 | -78.6 | -174.4 | 176 | -176.4 | 0 | 117 | ||||
| 2048 | K | 31.7 | Very low | 28.7 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 39% | 0.387 | 66% | 0.655 | S | S | . | * | cis | -178.2 | 161.8 | -25.1 | -109.2 | -157 | 176.4 | -138.9 | 0 | 107.1 | K674 H679 | K674-K2048 WeakPolarHBondContact CE-O 3.37Å; K674-K2048 PolarHBondContact NZ-O 3.31Å; H679-K2048 PolarHBondContact NE2-NZ 2.96Å | ||
| 2049 | E | 29.2 | Very low | 28.3 | Very low | 42 Ų | 42 | 129.2 Ų | 129.2 | 20% | 0.196 | 67% | 0.674 | C | S | . | * | cis | -163.1 | 173.8 | -25.5 | -143.5 | 160.1 | -123.3 | 0 | 0 | 113.1 | D676 L677 V678 H679 | D676-E2049 WeakPolarHBondContact OD2-CA 3.32Å; D676-E2049 PolarHBondContact OD2-N 3.49Å; L677-E2049 HydrophobicContact CB-CG 4.17Å; L677-E2049 HydrophobicContact CD2-CG 3.91Å; V678-E2049 HydrophobicContact CB-CG 4.42Å; V678-E2049 HydrophobicContact CG1-CG 3.51Å; V678-E2049 HydrophobicContact CG2-CG 4.06Å; H679-E2049 IonicContact CD2-OE1 2.72Å; H679-E2049 PolarHBondContact CD2-OE1 3.29Å; H679-E2049 IonicContact CD2-OE2 2.58Å; H679-E2049 PolarHBondContact CD2-OE2 3.05Å; H679-E2049 VanDerWaalsContact CD2-OE2 3.32Å; H679-E2049 IonicContact NE2-OE1 3Å; H679-E2049 IonicContact NE2-OE2 3.36Å; H679-E2049 PolarHBondContact NE2-OE2 2.75Å | ||
| 2050 | Y | 25.3 | Very low | 27.8 | Very low | 105 Ų | 105 | 131 Ų | 131 | 41% | 0.412 | 69% | 0.687 | S | S | . | * | trans | 74.1 | 119.7 | 153.8 | -88.1 | -59.3 | 0 | 0 | 0 | 125 | V678 | V678-Y2050 HydrophobicContact CB-CD1 4.04Å; V678-Y2050 HydrophobicContact CB-CE1 3.72Å; V678-Y2050 HydrophobicContact CG1-CD1 3.9Å; V678-Y2050 HydrophobicContact CG1-CD2 3.98Å; V678-Y2050 HydrophobicContact CG1-CE1 3.49Å; V678-Y2050 VanDerWaalsContact CG1-CE1 3.49Å; V678-Y2050 HydrophobicContact CG1-CE2 3.56Å; V678-Y2050 HydrophobicContact CG1-CG 4.14Å; V678-Y2050 HydrophobicContact CG2-CD1 3.57Å; V678-Y2050 HydrophobicContact CG2-CE1 3.8Å; V678-Y2050 HydrophobicContact CG2-CG 4.08Å | ||
| 2051 | H | 26.7 | Very low | 27.4 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 57% | 0.565 | 69% | 0.688 | S | S | * | * | trans | 68.8 | 132.8 | 130 | -92.6 | -31.5 | 0 | 0 | 0 | 126 | ||||
| 2052 | N | 24.4 | Very low | 27.1 | Very low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 69% | 0.688 | S | S | * | * | trans | 71.1 | 159.3 | 134.1 | -64.1 | -11.5 | 0 | 0 | 0 | 120.9 | ||||
| 2053 | G | 24.9 | Very low | 26.7 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 73% | 0.732 | 68% | 0.68 | S | S | * | * | trans | 143.4 | 43.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | S2055 | G2053-S2055 PolarHBondContact O-N 2.82Š| ||
| 2054 | N | 28.6 | Very low | 26.5 | Very low | 176 Ų | 176 | 117.2 Ų | 117.2 | 94% | 0.941 | 67% | 0.672 | S | S | * | * | trans | -76.4 | 102 | 173.2 | -114.7 | 4.6 | 0 | 0 | 0 | 110.8 | ||||
| 2055 | S | 22.5 | Very low | 26.2 | Very low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 67% | 0.674 | S | S | * | * | trans | -161 | 129.1 | 150.6 | 44 | 0 | 0 | 0 | 0 | 107.6 | G2053 | G2053-S2055 PolarHBondContact O-N 2.82Š| ||
| 2056 | Q | 28.6 | Very low | 25.7 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 86% | 0.855 | 67% | 0.665 | S | S | * | * | 58.4 | 148.2 | 56 | -70.4 | -159.7 | -16 | 0 | 0 | 113.6 | |||||
| 2057 | S | 22 | Very low | 25.3 | Very low | 107 Ų | 107 | 118.6 Ų | 118.6 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | 68.4 | 144 | -177 | 90.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2058 | T | 21.2 | Very low | 24.9 | Very low | 106 Ų | 106 | 114.3 Ų | 114.3 | 65% | 0.65 | 64% | 0.642 | S | S | * | * | cis | -161.8 | 161.5 | -14.4 | 4.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2059 | N | 22.9 | Very low | 24.5 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 77% | 0.765 | 66% | 0.655 | S | S | * | * | trans | 62.8 | 147.5 | 140.8 | -65.7 | -7.2 | 0 | 0 | 0 | 120.4 | ||||
| 2060 | S | 22.2 | Very low | 24.2 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | cis | -173.1 | -179.9 | -15 | 53 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2061 | V | 23.4 | Very low | 24.2 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 73% | 0.727 | 68% | 0.677 | S | S | * | * | trans | 71.3 | 153 | 155.1 | 171.8 | 0 | 0 | 0 | 0 | 116.4 | L2063 | V2061-L2063 HydrophobicContact CB-CD1 4.41Å; V2061-L2063 HydrophobicContact CG1-CD1 4.33Å; V2061-L2063 HydrophobicContact CG2-CD1 4.1Å | ||
| 2062 | G | 25.5 | Very low | 24 | Very low | 71 Ų | 71 | 126 Ų | 126 | 73% | 0.732 | 69% | 0.687 | S | S | * | * | trans | 75.2 | 43.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 2063 | L | 24.4 | Very low | 24.1 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 68% | 0.681 | 68% | 0.683 | S | S | * | * | 59.6 | 156.1 | 56.1 | -80.2 | -178.7 | 0 | 0 | 0 | 115.6 | V2061 | V2061-L2063 HydrophobicContact CB-CD1 4.41Å; V2061-L2063 HydrophobicContact CG1-CD1 4.33Å; V2061-L2063 HydrophobicContact CG2-CD1 4.1Å | |||
| 2064 | N | 25.4 | Very low | 24.1 | Very low | 109 Ų | 109 | 127.5 Ų | 127.5 | 58% | 0.583 | 68% | 0.68 | S | S | * | * | trans | 76.1 | 74.8 | 147.5 | -72.3 | 13.5 | 0 | 0 | 0 | 118.5 | ||||
| 2065 | Y | 23.9 | Very low | 23.9 | Very low | 193 Ų | 193 | 124 Ų | 124 | 76% | 0.757 | 67% | 0.67 | S | S | * | * | 87.9 | 130.5 | 123.6 | -64.6 | -85.7 | 0 | 0 | 0 | 118.4 | |||||
| 2066 | S | 23.1 | Very low | 23.9 | Very low | 76 Ų | 76 | 124.7 Ų | 124.7 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | cis | -168.2 | -167.3 | -18.1 | 53.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 2067 | E | 23 | Very low | 23.7 | Very low | 131 Ų | 131 | 120.4 Ų | 120.4 | 61% | 0.612 | 66% | 0.662 | S | S | * | * | 5.4 | 177.4 | 124.8 | -39.3 | 145.3 | 127.5 | 0 | 0 | 119.3 | |||||
| 2068 | N | 23.3 | Very low | 23.7 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 49% | 0.487 | 66% | 0.662 | S | S | . | * | trans | 75.4 | 113.8 | 140.8 | -64.6 | -15.7 | 0 | 0 | 0 | 116.6 | ||||
| 2069 | Y | 23.4 | Very low | 23.7 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | cis | -172.5 | 172.7 | 6 | -126.9 | -29 | 0 | 0 | 0 | 112.9 | ||||
| 2070 | K | 23.3 | Very low | 23.8 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 49% | 0.487 | 66% | 0.658 | S | S | . | * | trans | 68.1 | 109.7 | 137.2 | -75.8 | 161.1 | -173.1 | 161.4 | 0 | 118.4 | ||||
| 2071 | R | 24.7 | Very low | 23.8 | Very low | 155 Ų | 155 | 127.6 Ų | 127.6 | 59% | 0.585 | 66% | 0.659 | S | S | * | * | 98.3 | 121.8 | 117.3 | -72.8 | 167.8 | -174.4 | 169.2 | 0.6 | 114.4 | H2073 | R2071-H2073 VanDerWaalsContact C-N 3.29Š| |||
| 2072 | E | 23.3 | Very low | 24 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 78% | 0.776 | 65% | 0.646 | S | S | * | * | cis | 58.8 | 36.1 | 38.6 | -32.3 | 151.6 | 116.1 | 0 | 0 | 112.1 | ||||
| 2073 | H | 27.4 | Very low | 24.1 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 69% | 0.69 | 65% | 0.652 | S | S | * | * | trans | -135 | 137.5 | 149.5 | -72.9 | -53 | 0 | 0 | 0 | 108.5 | R2071 | R2071-H2073 VanDerWaalsContact C-N 3.29Š| ||
| 2074 | C | 24.9 | Very low | 24.4 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 67% | 0.669 | 65% | 0.647 | S | S | * | * | cis | -147.6 | 153.3 | -14.7 | -134.5 | 0 | 0 | 0 | 0 | 112 | C2076 | C2074-C2076 PolarHBondContact O-N 3.28Š| ||
| 2075 | S | 22.9 | Very low | 24.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -48.1 | 119.2 | 145.9 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2076 | C | 23.8 | Very low | 24.5 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | trans | -144.4 | 146.4 | 137.2 | -92.4 | 0 | 0 | 0 | 0 | 107.3 | C2074 | C2074-C2076 PolarHBondContact O-N 3.28Š| ||
| 2077 | C | 24.3 | Very low | 24.7 | Very low | 93 Ų | 93 | 130.3 Ų | 130.3 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | 12.1 | 130.1 | 113 | -57.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2078 | E | 21.2 | Very low | 24.9 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | cis | -167.5 | -169.4 | 0.9 | -142.3 | 120.1 | -149 | 0 | 0 | 109.1 | ||||
| 2079 | F | 22.3 | Very low | 25.1 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 70% | 0.702 | 67% | 0.671 | S | S | * | * | trans | -11.8 | 142.5 | 137 | -77.9 | -124 | 0 | 0 | 0 | 116.5 | ||||
| 2080 | H | 25.3 | Very low | 25.2 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | trans | 66 | -169.5 | 136.6 | -67.4 | -161.7 | 0 | 0 | 0 | 114.1 | ||||
| 2081 | E | 21.2 | Very low | 25.4 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | cis | -106 | 120.9 | -19.8 | -126.6 | 100.9 | -132.2 | 0 | 0 | 109.1 | ||||
| 2082 | S | 27.1 | Very low | 25.5 | Very low | 63 Ų | 63 | 131.1 Ų | 131.1 | 44% | 0.441 | 67% | 0.672 | S | S | . | * | trans | -15.4 | 144.2 | 131.4 | 46.8 | 0 | 0 | 0 | 0 | 114.7 | T2084 | S2082-T2084 PolarHBondContact O-N 2.78Å; S2082-T2084 PolarHBondContact O-OG1 2.92Å; S2082-T2084 WeakPolarHBondContact OG-CG2 3.33Å; S2082-T2084 PolarHBondContact OG-OG1 3.11Å | ||
| 2083 | P | 28.8 | Very low | 25.8 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | trans | -65.1 | 74.4 | 146.6 | -12.4 | 29 | 0 | 0 | 0 | 108.5 | K2085 | P2083-K2085 PolarHBondContact O-N 2.93Š| ||
| 2084 | T | 29.8 | Very low | 25.8 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 58% | 0.583 | 66% | 0.655 | S | S | * | * | trans | -67.4 | 64.6 | 162.2 | 18.7 | 0 | 0 | 0 | 0 | 107.5 | S2082 | S2082-T2084 PolarHBondContact O-N 2.78Å; S2082-T2084 PolarHBondContact O-OG1 2.92Å; S2082-T2084 WeakPolarHBondContact OG-CG2 3.33Å; S2082-T2084 PolarHBondContact OG-OG1 3.11Å | ||
| 2085 | K | 25.8 | Very low | 25.8 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.717 | 66% | 0.656 | S | S | * | * | trans | -119.2 | 73.2 | 174.1 | -79.7 | -163 | 174.9 | -179.4 | 0 | 112 | P2083 | P2083-K2085 PolarHBondContact O-N 2.93Š| ||
| 2086 | R | 26 | Very low | 26 | Very low | 186 Ų | 186 | 130 Ų | 130 | 70% | 0.702 | 65% | 0.65 | S | S | * | * | 95.7 | 154.5 | 92.7 | -99.1 | -174.8 | -161.4 | 179 | -1.4 | 117.3 | |||||
| 2087 | D | 28 | Very low | 26.2 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | trans | 65.7 | 91.9 | 147.7 | -56 | -15.1 | 0 | 0 | 0 | 116.6 | ||||
| 2088 | L | 26.7 | Very low | 26.3 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 74% | 0.743 | 65% | 0.645 | S | S | * | * | 77.9 | 162.8 | 126.9 | -63 | 172.9 | 0 | 0 | 0 | 116.5 | |||||
| 2089 | L | 26.4 | Very low | 26.5 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 70% | 0.696 | 64% | 0.639 | S | S | * | * | trans | 56.2 | 131.9 | 141.8 | -88.6 | 44.1 | 0 | 0 | 0 | 119.2 | ||||
| 2090 | E | 26.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 62% | 0.621 | 64% | 0.635 | S | S | * | * | cis | -163.7 | 177.9 | -14.7 | -132.8 | -172.4 | 153.7 | 0 | 0 | 109.1 | ||||
| 2091 | Q | 27.9 | Very low | 26.6 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 53% | 0.528 | 64% | 0.64 | S | S | . | * | trans | 32.7 | 124.4 | 141.4 | -68.8 | -179.3 | 38.1 | 0 | 0 | 119.8 | ||||
| 2092 | Y | 26.5 | Very low | 26.8 | Very low | 155 Ų | 155 | 123.7 Ų | 123.7 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | 85.5 | 146 | 124.1 | -70.3 | -169.8 | 0 | 0 | 0 | 117.4 | R2094 | Y2092-R2094 PolarHBondContact OH-NH2 3.37Š| |||
| 2093 | N | 29.3 | Very low | 26.7 | Very low | 97 Ų | 97 | 127 Ų | 127 | 52% | 0.519 | 66% | 0.655 | S | S | . | * | cis | -143 | 135.1 | -5.8 | -117.9 | -15.6 | 0 | 0 | 0 | 113.2 | ||||
| 2094 | R | 26.4 | Very low | 26.7 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 59% | 0.589 | 65% | 0.648 | S | S | * | * | 34.9 | 134 | 116 | -75.3 | -176.9 | -163.3 | 137.6 | 2.3 | 117.5 | Y2092 | Y2092-R2094 PolarHBondContact OH-NH2 3.37Š| |||
| 2095 | N | 26.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 125.5 Ų | 125.5 | 69% | 0.69 | 64% | 0.643 | S | S | * | * | trans | 80.1 | 154 | 131.6 | -67.2 | 20.8 | 0 | 0 | 0 | 116.5 | ||||
| 2096 | N | 27 | Very low | 26.8 | Very low | 112 Ų | 112 | 120.1 Ų | 120.1 | 60% | 0.599 | 63% | 0.626 | S | S | * | * | cis | -141.9 | 140 | 10.2 | -133.3 | 9.4 | 0 | 0 | 0 | 113.4 | ||||
| 2097 | N | 26.3 | Very low | 27 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 58% | 0.578 | 61% | 0.605 | S | S | * | * | 53.5 | 119.3 | 129.3 | -72.7 | 5 | 0 | 0 | 0 | 121.2 | |||||
| 2098 | N | 26.4 | Very low | 27.1 | Very low | 133 Ų | 133 | 109.5 Ų | 109.5 | 71% | 0.711 | 58% | 0.583 | S | S | * | * | 81.5 | 142.9 | 117.1 | -64 | -1.1 | 0 | 0 | 0 | 119.4 | |||||
| 2099 | S | 26 | Very low | 27.3 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | cis | -173.2 | -179.2 | -13.6 | 50 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2100 | S | 25.4 | Very low | 27.5 | Very low | 87 Ų | 87 | 106.3 Ų | 106.3 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | trans | 57.7 | 102.1 | 141.2 | 59.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2101 | N | 25.4 | Very low | 27.6 | Very low | 136 Ų | 136 | 105.5 Ų | 105.5 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | 34.2 | 135 | 95.6 | -49.7 | -4.2 | 0 | 0 | 0 | 115.2 | |||||
| 2102 | T | 25.2 | Very low | 27.5 | Very low | 117 Ų | 117 | 104.3 Ų | 104.3 | 72% | 0.718 | 56% | 0.559 | S | S | * | * | -167.6 | 136.9 | 74.5 | 24.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2103 | N | 25.3 | Very low | 27.6 | Very low | 134 Ų | 134 | 99.8 Ų | 99.8 | 72% | 0.717 | 55% | 0.545 | S | S | * | . | 59.1 | 107.3 | 126 | -57.6 | 3.9 | 0 | 0 | 0 | 122.1 | |||||
| 2104 | S | 27.1 | Very low | 27.6 | Very low | 102 Ų | 102 | 101.9 Ų | 101.9 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | 103.5 | 168 | 93.7 | 76 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 2105 | I | 29.2 | Very low | 27.5 | Very low | 94 Ų | 94 | 99.3 Ų | 99.3 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | trans | 78.7 | 128 | 167.5 | -33 | -172 | 0 | 0 | 0 | 115.9 | I1753 | I1753-I2105 HydrophobicContact CB-CG2 3.94Å; I1753-I2105 HydrophobicContact CD1-CG2 3.41Å; I1753-I2105 VanDerWaalsContact CD1-CG2 3.41Å; I1753-I2105 HydrophobicContact CG1-CG2 4.26Å; I1753-I2105 VanDerWaalsContact CG2-C 3.46Å; I1753-I2105 HydrophobicContact CG2-CB 4.04Å; I1753-I2105 HydrophobicContact CG2-CG2 3.85Å; I1753-I2105 WeakPolarHBondContact CG2-O 3.33Å | ||
| 2106 | S | 29 | Very low | 27.4 | Very low | 51 Ų | 51 | 98.6 Ų | 98.6 | 36% | 0.357 | 55% | 0.55 | S | S | . | . | cis | 174 | 68.9 | -38 | 57.4 | 0 | 0 | 0 | 0 | 119.5 | D1751 T1752 I1753 | D1751-S2106 CarbonylContact C-O 3.45Å; T1752-S2106 CarbonylContact C-O 3.46Å; T1752-S2106 VanDerWaalsContact CA-O 3.3Å; T1752-S2106 WeakPolarHBondContact CA-O 3.36Å; T1752-S2106 PolarHBondContact N-O 3.32Å; T1752-S2106 CarbonylContact O-C 3.47Å; T1752-S2106 VanDerWaalsContact O-C 3.29Å; T1752-S2106 PolarHBondContact O-OG 3.36Å; I1753-S2106 VanDerWaalsContact N-C 3.34Å; I1753-S2106 PolarHBondContact N-O 2.75Å; I1753-S2106 CarbonylContact O-C 3.21Å; I1753-S2106 WeakPolarHBondContact O-CA 3.35Å; I1753-S2106 PolarHBondContact O-N 2.97Å | ||
| 2107 | N | 29.8 | Very low | 27.3 | Very low | 48 Ų | 48 | 99.3 Ų | 99.3 | 26% | 0.257 | 55% | 0.554 | S | S | . | * | B | Isolated β-bridge | trans | 91.8 | -153.3 | 159.6 | 22.4 | -75.8 | 0 | 0 | 0 | 125.4 | L1747 D1751 T1752 I1753 C1968 L1969 | L1747-N2107 HydrophobicContact CD2-CB 3.79Å; D1751-N2107 PolarHBondContact N-ND2 3.33Å; D1751-N2107 VanDerWaalsContact N-ND2 3.12Å; D1751-N2107 CarbonylContact O-C 3.44Å; D1751-N2107 WeakPolarHBondContact O-CA 3.08Å; D1751-N2107 WeakPolarHBondContact O-CB 3.15Å; D1751-N2107 PolarHBondContact O-ND2 2.86Å; T1752-N2107 CarbonylContact C-O 2.96Å; T1752-N2107 VanDerWaalsContact CA-O 3.28Å; T1752-N2107 WeakPolarHBondContact CA-O 3.43Å; I1753-N2107 PolarHBondContact N-O 3.32Å; I1753-N2107 PolarHBondContact O-N 2.87Å; C1968-N2107 VanDerWaalsContact O-CB 3.22Å; C1968-N2107 WeakPolarHBondContact O-CB 3.38Å; L1969-N2107 HydrophobicContact CB-CB 4.09Å; L1969-N2107 HydrophobicContact CD1-CB 3.86Å; L1969-N2107 HydrophobicContact CG-CB 4.5Å |
| 2108 | N | 30.4 | Very low | 27.2 | Very low | 30 Ų | 30 | 100.3 Ų | 100.3 | 16% | 0.16 | 56% | 0.558 | C | S | . | * | trans | 52.2 | 141.5 | -173 | -83.9 | -31.9 | 0 | 0 | 0 | 120.7 | L1747 D1751 T1752 | L1747-N2108 VanDerWaalsContact CB-OD1 3.31Å; L1747-N2108 WeakPolarHBondContact CB-OD1 3.24Å; L1747-N2108 VanDerWaalsContact CD2-CA 3.41Å; L1747-N2108 HydrophobicContact CD2-CB 4.42Å; D1751-N2108 VanDerWaalsContact C-ND2 3.31Å; D1751-N2108 WeakPolarHBondContact O-CB 3.41Å; D1751-N2108 PolarHBondContact O-N 3.37Å; D1751-N2108 PolarHBondContact O-ND2 2.76Å; T1752-N2108 HydrophobicContact CG2-CB 4.03Å; T1752-N2108 PolarHBondContact OG1-ND2 3.48Å | ||
| 2109 | K | 31.1 | Very low | 27.1 | Very low | 146 Ų | 146 | 102.9 Ų | 102.9 | 64% | 0.635 | 56% | 0.563 | S | S | * | * | cis | -169.9 | 155.7 | 28.4 | -139.4 | 167.5 | -178.1 | 179.1 | 0 | 113.5 | D1746 L1747 | D1746-K2109 WeakPolarHBondContact CB-O 3.46Å; L1747-K2109 CarbonylContact O-C 3.59Å; L1747-K2109 VanDerWaalsContact O-CA 3.22Å; L1747-K2109 WeakPolarHBondContact O-CA 3.32Å; L1747-K2109 WeakPolarHBondContact O-CG 3.29Å | ||
| 2110 | T | 31.5 | Very low | 27 | Very low | 62 Ų | 62 | 105.2 Ų | 105.2 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | trans | -61.4 | 149.3 | -160.8 | -27.2 | 0 | 0 | 0 | 0 | 119.8 | D1746 L1747 | D1746-T2110 VanDerWaalsContact CB-CA 3.45Å; D1746-T2110 VanDerWaalsContact N-CG2 3.31Å; L1747-T2110 PolarHBondContact N-OG1 3.22Å; L1747-T2110 PolarHBondContact O-N 3.46Å; L1747-T2110 PolarHBondContact O-OG1 3.39Å | ||
| 2111 | I | 27.5 | Very low | 27 | Very low | 115 Ų | 115 | 112.4 Ų | 112.4 | 59% | 0.59 | 58% | 0.576 | S | S | * | * | -177.8 | 108.7 | 111.4 | -90.8 | 154.8 | 0 | 0 | 0 | 116.4 | Y1744 S1745 | Y1744-I2111 CarbonylContact C-O 3.32Å; Y1744-I2111 PolarHBondContact N-O 2.58Å; Y1744-I2111 CarbonylContact O-C 3.18Å; Y1744-I2111 PolarHBondContact O-N 3.25Å; Y1744-I2111 VanDerWaalsContact O-N 3.14Å; Y1744-I2111 VanDerWaalsContact O-O 3.05Å; S1745-I2111 CarbonylContact O-C 3.58Å | |||
| 2112 | N | 26.1 | Very low | 27.1 | Very low | 89 Ų | 89 | 111.7 Ų | 111.7 | 48% | 0.476 | 57% | 0.572 | S | S | . | * | trans | 42.2 | 128.9 | 142.3 | -86.9 | -52.1 | 0 | 0 | 0 | 123.6 | P1743 S1745 | P1743-N2112 WeakPolarHBondContact CD-O 3.43Å; S1745-N2112 PolarHBondContact O-N 2.72Å | ||
| 2113 | N | 28.9 | Very low | 27.2 | Very low | 60 Ų | 60 | 111.9 Ų | 111.9 | 32% | 0.321 | 58% | 0.575 | S | S | . | * | 31.8 | 114.5 | 127.1 | -74.3 | -95 | 0 | 0 | 0 | 119.7 | R1072 | R1072-N2113 PolarHBondContact NE-OD1 3.12Å; R1072-N2113 VanDerWaalsContact NH2-CG 3.29Å; R1072-N2113 PolarHBondContact NH2-OD1 3.49Å | |||
| 2114 | K | 27.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 112.7 Ų | 112.7 | 61% | 0.609 | 57% | 0.573 | S | S | * | * | -170.5 | 120.3 | 112.2 | -104.6 | 164.5 | -175.5 | 174.7 | 0 | 115.4 | |||||
| 2115 | S | 25.3 | Very low | 27.1 | Very low | 102 Ų | 102 | 113.1 Ų | 113.1 | 71% | 0.713 | 57% | 0.571 | S | S | * | * | trans | 20.2 | 138.8 | 136.7 | 59.2 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 2116 | M | 24.8 | Very low | 26.8 | Very low | 115 Ų | 115 | 115.9 Ų | 115.9 | 57% | 0.567 | 59% | 0.586 | S | S | * | * | trans | 78.2 | 107.2 | 139.4 | -73 | -68.6 | -158.1 | 0 | 0 | 120.7 | N1068 | N1068-M2116 WeakPolarHBondContact OD1-CE 3.42Š| ||
| 2117 | N | 24.1 | Very low | 26.6 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | 97.7 | 138.3 | 120.5 | -93.8 | -17.2 | 0 | 0 | 0 | 122.6 | |||||
| 2118 | L | 25.4 | Very low | 26.4 | Very low | 128 Ų | 128 | 119.8 Ų | 119.8 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | 59.5 | 118.6 | 149.3 | -67.7 | 162.9 | 0 | 0 | 0 | 118.6 | ||||
| 2119 | F | 23.6 | Very low | 26.1 | Very low | 187 Ų | 187 | 124.4 Ų | 124.4 | 82% | 0.82 | 62% | 0.624 | S | S | * | * | -151.4 | 122.7 | 108.9 | -115.4 | -84 | 0 | 0 | 0 | 111.6 | |||||
| 2120 | F | 24.5 | Very low | 25.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 61% | 0.614 | 63% | 0.628 | S | S | * | * | trans | 17.4 | 145.7 | 146.8 | -65.9 | -102.1 | 0 | 0 | 0 | 120.1 | ||||
| 2121 | R | 26 | Very low | 25.4 | Very low | 237 Ų | 237 | 125.8 Ų | 125.8 | 89% | 0.894 | 64% | 0.636 | S | S | * | * | -159.7 | 139.1 | 63.9 | -84.3 | 179.7 | 178.7 | 163.9 | 3.1 | 116 | |||||
| 2122 | L | 26.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 63% | 0.634 | 65% | 0.652 | S | S | * | * | trans | -74.3 | 164.6 | 151.4 | -71.2 | 166 | 0 | 0 | 0 | 111.1 | F2124 | L2122-F2124 HydrophobicContact CB-CD2 3.79Å; L2122-F2124 HydrophobicContact CB-CE2 4.17Å; L2122-F2124 HydrophobicContact CD1-CD2 4.33Å; L2122-F2124 HydrophobicContact CD1-CE2 4.06Å | ||
| 2123 | P | 27.5 | Very low | 25.3 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | -112.5 | 126.4 | 111.9 | 32 | -32.7 | 0 | 0 | 0 | 110 | |||||
| 2124 | F | 24.6 | Very low | 25.1 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 67% | 0.667 | 67% | 0.673 | S | S | * | * | 59.5 | 83.4 | 59.3 | -75.8 | -75.5 | 0 | 0 | 0 | 114.5 | L2122 | L2122-F2124 HydrophobicContact CB-CD2 3.79Å; L2122-F2124 HydrophobicContact CB-CE2 4.17Å; L2122-F2124 HydrophobicContact CD1-CD2 4.33Å; L2122-F2124 HydrophobicContact CD1-CE2 4.06Å | |||
| 2125 | T | 25.8 | Very low | 25 | Very low | 110 Ų | 110 | 131.4 Ų | 131.4 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | 19 | 119.9 | 123.7 | 59 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 2126 | N | 23.7 | Very low | 25 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | 160.2 | 148.6 | 126 | -80.7 | -1.9 | 0 | 0 | 0 | 111.2 | |||||
| 2127 | G | 24.7 | Very low | 25 | Very low | 42 Ų | 42 | 132.1 Ų | 132.1 | 43% | 0.433 | 68% | 0.679 | S | S | . | * | trans | 144 | 119.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | R2518 | G2127-R2518 WeakPolarHBondContact O-CB 3.3Š| ||
| 2128 | Y | 25.1 | Very low | 25 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 55% | 0.545 | 68% | 0.676 | S | S | . | * | trans | -77.6 | 164.4 | -165.8 | -83.7 | -83.3 | 0 | 0 | 0 | 117.1 | E1175 R2518 | E1175-Y2128 HydrophobicContact CB-CE1 4.23Å; E1175-Y2128 VanDerWaalsContact CD-CD1 3.46Å; E1175-Y2128 VanDerWaalsContact CD-CZ 3.42Å; E1175-Y2128 HydrophobicContact CG-CE1 3.91Å; E1175-Y2128 HydrophobicContact CG-CE2 4.41Å; E1175-Y2128 WeakPolarHBondContact OE1-CD1 3.46Å; E1175-Y2128 WeakPolarHBondContact OE1-CD2 3.15Å; E1175-Y2128 WeakPolarHBondContact OE2-CD1 3.14Å; E1175-Y2128 WeakPolarHBondContact OE2-CE1 3.49Å; Y2128-R2518 CarbonylContact O-C 3.49Å; Y2128-R2518 VanDerWaalsContact O-CA 3.28Å; Y2128-R2518 WeakPolarHBondContact O-CA 3.37Å; Y2128-R2518 WeakPolarHBondContact O-CB 3.31Å; Y2128-R2518 PolarHBondContact O-N 2.97Å; Y2128-R2518 VanDerWaalsContact O-O 3.1Å | ||
| 2129 | H | 24.2 | Very low | 25.1 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 59% | 0.593 | 68% | 0.677 | S | S | * | * | trans | -43.5 | 140.1 | 165.2 | -84.9 | -86.6 | 0 | 0 | 0 | 114.1 | N2131 R2518 | H2129-N2131 PolarHBondContact ND1-ND2 2.96Å; H2129-R2518 CarbonylContact C-O 3.53Å | ||
| 2130 | D | 24.9 | Very low | 25.1 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 71% | 0.711 | 66% | 0.658 | S | S | * | * | -159.7 | 140.9 | 106.5 | -90.2 | -31.8 | 0 | 0 | 0 | 110 | R2518 | D2130-R2518 PolarHBondContact N-O 3.24Š| |||
| 2131 | N | 23.8 | Very low | 25.2 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 56% | 0.556 | 65% | 0.654 | S | S | * | * | cis | 78.8 | 46.2 | 37.6 | -69.1 | -38.6 | 0 | 0 | 0 | 117.4 | H2129 S2133 | H2129-N2131 PolarHBondContact ND1-ND2 2.96Å; N2131-S2133 WeakPolarHBondContact O-CB 3.23Å | ||
| 2132 | D | 26.2 | Very low | 25.2 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 91% | 0.909 | 64% | 0.637 | S | S | * | * | trans | -108.4 | 94.3 | 146.1 | -102.6 | -23.1 | 0 | 0 | 0 | 108.9 | ||||
| 2133 | S | 24.8 | Very low | 25.3 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 57% | 0.573 | 64% | 0.635 | S | S | * | * | cis | 76 | 109.2 | 27.2 | -158.1 | 0 | 0 | 0 | 0 | 116.1 | N2131 | N2131-S2133 WeakPolarHBondContact O-CB 3.23Š| ||
| 2134 | S | 24.9 | Very low | 25.3 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 63% | 0.629 | S | S | * | * | trans | 73.4 | 70.6 | 147.9 | 76.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2135 | I | 24.9 | Very low | 25.4 | Very low | 174 Ų | 174 | 121.7 Ų | 121.7 | 89% | 0.892 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -129.1 | 120.7 | 146.3 | -61.2 | -175.5 | 0 | 0 | 0 | 109.9 | ||
| 2136 | Y | 25.6 | Very low | 25.5 | Very low | 163 Ų | 163 | 122 Ų | 122 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | cis | -152.8 | 125.9 | -17.2 | -139.3 | -132.5 | 0 | 0 | 0 | 105.2 | R2138 | Y2136-R2138 PolarHBondContact OH-NH2 3.31Š| ||
| 2137 | S | 24.7 | Very low | 25.8 | Very low | 68 Ų | 68 | 120.4 Ų | 120.4 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | 87.6 | 136.3 | 95.7 | -82.8 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 2138 | R | 24.4 | Very low | 26.1 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | trans | 57.2 | 122.2 | 139.5 | -53.9 | 161 | -154.9 | 163.7 | 8.7 | 116.2 | Y2136 | Y2136-R2138 PolarHBondContact OH-NH2 3.31Š| ||
| 2139 | H | 27 | Very low | 26.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 69% | 0.694 | 65% | 0.647 | S | S | * | * | -178.3 | 154.3 | 71.1 | -90.5 | -67.7 | 0 | 0 | 0 | 108.6 | |||||
| 2140 | L | 24.7 | Very low | 26.5 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 44% | 0.435 | 65% | 0.647 | S | S | . | * | cis | -164.1 | 171.7 | -14.6 | -159 | 52.8 | 0 | 0 | 0 | 108.6 | R1648 R1649 | R1648-L2140 PolarHBondContact NH1-O 3.18Å; R1649-L2140 PolarHBondContact NH1-O 2.83Å | ||
| 2141 | E | 24.8 | Very low | 26.5 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 53% | 0.533 | 65% | 0.652 | S | S | . | * | trans | 56.7 | 150 | 139.3 | -100.7 | 152.8 | -143.5 | 0 | 0 | 123.3 | R1648 R1649 | R1648-E2141 PolarHBondContact NH1-O 2.81Å; R1649-E2141 PolarHBondContact NH2-O 3.05Å | ||
| 2142 | H | 27.3 | Very low | 26.5 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 52% | 0.523 | 66% | 0.656 | S | S | . | * | trans | 63.9 | 147.3 | 149.7 | -69.1 | -51.1 | 0 | 0 | 0 | 119 | R1648 R1649 | R1648-H2142 PolarHBondContact NH2-O 2.88Å; R1649-H2142 PolarHBondContact NH2-O 3.17Å | ||
| 2143 | D | 27 | Very low | 26.3 | Very low | 111 Ų | 111 | 127 Ų | 127 | 59% | 0.594 | 65% | 0.648 | S | S | * | * | cis | -164.5 | 160.9 | -35.9 | -138.4 | -7.7 | 0 | 0 | 0 | 111.6 | ||||
| 2144 | L | 27.5 | Very low | 26.2 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 65% | 0.654 | 65% | 0.652 | S | S | * | * | trans | 61 | 154.3 | 157.5 | -52.1 | 163.3 | 0 | 0 | 0 | 115.2 | ||||
| 2145 | K | 27.6 | Very low | 26.1 | Very low | 136 Ų | 136 | 132.3 Ų | 132.3 | 59% | 0.591 | 66% | 0.658 | S | S | * | * | cis | -157.9 | 157.8 | -16.7 | -118.8 | 176.2 | 175.8 | 158.9 | 0 | 106.1 | ||||
| 2146 | N | 27 | Very low | 26.1 | Very low | 117 Ų | 117 | 134.2 Ų | 134.2 | 63% | 0.626 | 65% | 0.654 | S | S | * | * | trans | 48.1 | 140.7 | 135.4 | -69.8 | 39 | 0 | 0 | 0 | 121 | ||||
| 2147 | D | 30.5 | Very low | 26 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 63% | 0.626 | 66% | 0.664 | S | S | * | * | cis | -143.8 | 159.7 | 24.6 | -85.9 | -53.9 | 0 | 0 | 0 | 113.5 | ||||
| 2148 | E | 30.5 | Very low | 26 | Very low | 170 Ų | 170 | 139.5 Ų | 139.5 | 79% | 0.794 | 67% | 0.672 | S | S | * | * | trans | 38.2 | 114.5 | 140.4 | -56.2 | -172.7 | 146.9 | 0 | 0 | 119.1 | ||||
| 2149 | K | 25.1 | Very low | 26.2 | Very low | 201 Ų | 201 | 138.2 Ų | 138.2 | 87% | 0.874 | 68% | 0.677 | S | S | * | * | cis | 70.5 | 159.9 | 33.4 | -115.4 | -167.2 | -179.8 | 177.6 | 0 | 113 | ||||
| 2150 | P | 33.9 | Very low | 26 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | -134.2 | 158.2 | -108.6 | 40.4 | -23.4 | 0 | 0 | 0 | 117.4 | |||||
| 2151 | P | 24.2 | Very low | 26 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | -135.7 | 117.2 | 155.4 | 33.4 | -16.6 | 0 | 0 | 0 | 111.3 | ||||
| 2152 | I | 23 | Very low | 26 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 65% | 0.651 | 70% | 0.695 | S | S | * | * | cis | 40.7 | 133.2 | 43.2 | -29.5 | -176 | 0 | 0 | 0 | 114.2 | ||||
| 2153 | N | 23.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | 73.2 | 123.8 | 153.5 | -86.4 | -24.4 | 0 | 0 | 0 | 120.8 | ||||
| 2154 | V | 21.6 | Very low | 26.3 | Very low | 108 Ų | 108 | 137.9 Ų | 137.9 | 66% | 0.655 | 72% | 0.716 | S | S | * | * | 48.1 | 93.4 | 122.5 | -174.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 2155 | K | 24.6 | Very low | 26.7 | Very low | 183 Ų | 183 | 138.8 Ų | 138.8 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | -149.6 | 121.7 | 97 | -100.2 | 124.5 | -158.6 | 165.7 | 0 | 114 | K2157 | K2155-K2157 PolarHBondContact O-N 3.02Š| |||
| 2156 | R | 24.5 | Very low | 27 | Very low | 214 Ų | 214 | 139 Ų | 139 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | trans | -55.6 | 115.9 | 142.7 | -76.9 | 176 | 174.3 | 158.1 | -4.8 | 107.8 | F2158 | R2156-F2158 HydrophobicContact CB-CB 4.34Å; R2156-F2158 HydrophobicContact CB-CD2 4.02Å; R2156-F2158 HydrophobicContact CG-CD2 4.07Å | ||
| 2157 | K | 23.2 | Very low | 27.5 | Very low | 195 Ų | 195 | 140 Ų | 140 | 85% | 0.848 | 73% | 0.733 | S | S | * | * | trans | -163.2 | 85.2 | 153.7 | -106.3 | 168 | -175 | -171.6 | 0 | 106.8 | K2155 | K2155-K2157 PolarHBondContact O-N 3.02Š| ||
| 2158 | F | 24.9 | Very low | 27.6 | Very low | 147 Ų | 147 | 141 Ų | 141 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | cis | 62.6 | 118.9 | 28.2 | -148.6 | -23.2 | 0 | 0 | 0 | 110.8 | R2156 | R2156-F2158 HydrophobicContact CB-CB 4.34Å; R2156-F2158 HydrophobicContact CB-CD2 4.02Å; R2156-F2158 HydrophobicContact CG-CD2 4.07Å | ||
| 2159 | N | 28.1 | Very low | 27.5 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | trans | 66.8 | 126.9 | 177.3 | -61.3 | -18.9 | 0 | 0 | 0 | 117 | ||||
| 2160 | G | 22.7 | Very low | 27.8 | Very low | 63 Ų | 63 | 134.8 Ų | 134.8 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | trans | 153.6 | 86.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2161 | M | 25.2 | Very low | 27.8 | Very low | 164 Ų | 164 | 137 Ų | 137 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | cis | -143.7 | 135.9 | -1.5 | -103.4 | 125.7 | 85.5 | 0 | 0 | 107.2 | ||||
| 2162 | N | 24.1 | Very low | 27.9 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | 74.5 | 155.9 | 77.1 | -59.2 | 7.1 | 0 | 0 | 0 | 113.4 | |||||
| 2163 | N | 29.6 | Very low | 28.4 | Very low | 162 Ų | 162 | 138 Ų | 138 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | trans | 68.7 | 103.9 | 171.9 | -49.1 | -4.4 | 0 | 0 | 0 | 114 | ||||
| 2164 | G | 32.3 | Very low | 28.4 | Very low | 66 Ų | 66 | 142.1 Ų | 142.1 | 68% | 0.68 | 73% | 0.726 | S | S | * | * | cis | -176.6 | 176.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 2165 | N | 35.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | cis | -143.8 | 159.3 | 18.1 | -73.8 | -25.5 | 0 | 0 | 0 | 110.7 | ||||
| 2166 | N | 33.9 | Very low | 28.8 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | trans | 53 | 133.2 | 137.5 | -59.6 | 3.5 | 0 | 0 | 0 | 119.4 | ||||
| 2167 | I | 36.6 | Very low | 28.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | cis | -158.2 | 145.2 | 27.9 | -121.7 | 149.9 | 0 | 0 | 0 | 110.9 | ||||
| 2168 | N | 32.7 | Very low | 29 | Very low | 137 Ų | 137 | 136 Ų | 136 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | 30 | 149.3 | 145.3 | -54.8 | -6.5 | 0 | 0 | 0 | 122.3 | ||||
| 2169 | C | 29.4 | Very low | 28.9 | Very low | 89 Ų | 89 | 133 Ų | 133 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | cis | -169.6 | 162.9 | -7.2 | -115.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2170 | Q | 31.9 | Very low | 28.7 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | trans | 63.3 | 160.1 | 143 | -68.4 | 166.4 | -50.3 | 0 | 0 | 119.7 | ||||
| 2171 | H | 32.5 | Very low | 28.9 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | cis | -151.2 | 118.7 | -15.1 | -110.8 | -53.3 | 0 | 0 | 0 | 106.4 | ||||
| 2172 | T | 26.7 | Very low | 28.9 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | 84.5 | 157.4 | 86.6 | 54.5 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 2173 | H | 32.6 | Very low | 28.9 | Very low | 171 Ų | 171 | 128.9 Ų | 128.9 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | trans | 73.6 | 128.5 | 177.8 | -57.4 | -86.2 | 0 | 0 | 0 | 116.7 | ||||
| 2174 | R | 24.9 | Very low | 28.9 | Very low | 227 Ų | 227 | 124.6 Ų | 124.6 | 86% | 0.857 | 65% | 0.65 | S | S | * | * | cis | 92.9 | 117 | 5.6 | -162.3 | -170.1 | 176.9 | -170.4 | -1.6 | 116.9 | ||||
| 2175 | G | 28.1 | Very low | 28.6 | Very low | 65 Ų | 65 | 122.6 Ų | 122.6 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | trans | 99 | 160.7 | 168 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 2176 | E | 24.9 | Very low | 28.3 | Very low | 143 Ų | 143 | 120.6 Ų | 120.6 | 67% | 0.668 | 61% | 0.614 | S | S | * | * | cis | -172.2 | 162.5 | -24.3 | -130 | 154.5 | -123.3 | 0 | 0 | 109.8 | ||||
| 2177 | Y | 25.6 | Very low | 28 | Very low | 167 Ų | 167 | 119.6 Ų | 119.6 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | trans | 59.6 | 140.7 | 156 | -75.8 | -63.2 | 0 | 0 | 0 | 124.2 | ||||
| 2178 | Y | 27.7 | Very low | 27.8 | Very low | 197 Ų | 197 | 117.7 Ų | 117.7 | 77% | 0.773 | 61% | 0.609 | S | S | * | * | trans | 57.9 | 165.7 | 151.1 | -57.6 | -45.8 | 0 | 0 | 0 | 119.8 | ||||
| 2179 | S | 22.7 | Very low | 27.7 | Very low | 83 Ų | 83 | 120 Ų | 120 | 58% | 0.58 | 61% | 0.613 | S | S | * | * | -168.2 | 141.8 | -50.1 | -103 | 0 | 0 | 0 | 0 | 110 | |||||
| 2180 | T | 23.3 | Very low | 27.6 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 56% | 0.564 | 62% | 0.617 | S | S | * | * | trans | 58.3 | 143.8 | 142.3 | 61 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2181 | N | 26.4 | Very low | 27.5 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 44% | 0.439 | 61% | 0.614 | S | S | . | * | trans | 61.5 | 158.7 | 161.7 | -4.9 | -84.5 | 0 | 0 | 0 | 117.4 | E2477 | N2181-E2477 HydrophobicContact CB-CB 4.13Å; N2181-E2477 HydrophobicContact CB-CG 3.92Å; N2181-E2477 WeakPolarHBondContact ND2-CG 2.97Å; N2181-E2477 PolarHBondContact ND2-OE1 2.91Å | ||
| 2182 | E | 25.2 | Very low | 27.3 | Very low | 119 Ų | 119 | 118 Ų | 118 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | cis | -171.4 | 177 | -26.2 | -114.8 | 175 | 167.2 | 0 | 0 | 106.1 | S2476 | E2182-S2476 WeakPolarHBondContact O-CA 3.23Å; E2182-S2476 PolarHBondContact O-N 2.75Å | ||
| 2183 | N | 24.9 | Very low | 27.4 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 49% | 0.492 | 60% | 0.6 | S | S | . | * | trans | 59 | 146.9 | 144.2 | -69.1 | -17.3 | 0 | 0 | 0 | 118.9 | Q2475 S2476 | N2183-Q2475 WeakPolarHBondContact CB-O 3.47Å; N2183-Q2475 CarbonylContact O-C 3.59Å; N2183-S2476 PolarHBondContact ND2-O 2.9Å; N2183-S2476 VanDerWaalsContact ND2-O 3.15Å; N2183-S2476 PolarHBondContact O-N 2.96Å | ||
| 2184 | L | 30.3 | Very low | 27.3 | Very low | 73 Ų | 73 | 112.4 Ų | 112.4 | 38% | 0.382 | 59% | 0.586 | S | S | . | * | cis | -179.7 | -175 | 8.5 | -114.8 | 174.9 | 0 | 0 | 0 | 105.3 | W1268 E2473 | W1268-L2184 VanDerWaalsContact CH2-O 3.25Å; W1268-L2184 WeakPolarHBondContact CH2-O 3.35Å; L2184-E2473 CarbonylContact C-O 3.16Å; L2184-E2473 WeakPolarHBondContact CB-O 3.2Å; L2184-E2473 VanDerWaalsContact CD2-O 3.27Å; L2184-E2473 WeakPolarHBondContact CD2-O 3.48Å | ||
| 2185 | T | 26 | Very low | 27.5 | Very low | 24 Ų | 24 | 107 Ų | 107 | 15% | 0.147 | 57% | 0.574 | C | S | . | * | trans | -73.7 | 165.6 | -162 | 72.3 | 0 | 0 | 0 | 0 | 120.9 | Y2472 E2473 R2474 | T2185-Y2472 WeakPolarHBondContact CG2-O 3.37Å; T2185-Y2472 VanDerWaalsContact OG1-C 3.3Å; T2185-Y2472 PolarHBondContact OG1-O 2.96Å; T2185-E2473 WeakPolarHBondContact CB-O 3.46Å; T2185-E2473 PolarHBondContact N-O 2.81Å; T2185-E2473 VanDerWaalsContact OG1-C 3.28Å; T2185-E2473 WeakPolarHBondContact OG1-CA 3.48Å; T2185-E2473 PolarHBondContact OG1-N 3.02Å; T2185-E2473 VanDerWaalsContact OG1-N 3.07Å; T2185-E2473 PolarHBondContact OG1-O 3.46Å; T2185-R2474 VanDerWaalsContact O-CB 3.3Å; T2185-R2474 WeakPolarHBondContact O-CB 3.19Å | ||
| 2186 | D | 28 | Very low | 27.5 | Very low | 102 Ų | 102 | 109.1 Ų | 109.1 | 55% | 0.545 | 57% | 0.57 | S | S | . | * | 156.3 | 167 | 89.9 | -120.3 | -38.9 | 0 | 0 | 0 | 114.9 | |||||
| 2187 | T | 28 | Very low | 27.7 | Very low | 118 Ų | 118 | 106.5 Ų | 106.5 | 72% | 0.724 | 56% | 0.561 | S | S | * | * | trans | -87.7 | -170.8 | -172 | 66.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2188 | P | 32.5 | Very low | 27.8 | Very low | 98 Ų | 98 | 102.2 Ų | 102.2 | 64% | 0.636 | 55% | 0.549 | S | S | * | . | cis | -143.3 | -153.9 | 2.2 | 31.1 | -2.9 | 0 | 0 | 0 | 116.4 | ||||
| 2189 | F | 29.8 | Very low | 27.8 | Very low | 186 Ų | 186 | 98.3 Ų | 98.3 | 82% | 0.816 | 54% | 0.542 | S | S | * | . | trans | 82.8 | 137.5 | 169.6 | -71.4 | -92.8 | 0 | 0 | 0 | 119.4 | ||||
| 2190 | V | 28.6 | Very low | 28.4 | Very low | 114 Ų | 114 | 100 Ų | 100 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | cis | 138.5 | 135.3 | -15.5 | 160.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2191 | Q | 29 | Very low | 28.6 | Very low | 139 Ų | 139 | 98.2 Ų | 98.2 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | trans | 105.3 | 125.5 | 151.1 | -96.4 | 178.2 | 18.6 | 0 | 0 | 125.1 | ||||
| 2192 | K | 27.8 | Very low | 28.8 | Very low | 84 Ų | 84 | 97 Ų | 97 | 37% | 0.365 | 54% | 0.539 | S | S | . | . | trans | 70.9 | 116.6 | 135.9 | -83.4 | 164 | -173.5 | 168.9 | 0 | 123.4 | S2452 D2453 N2455 | K2192-S2452 WeakPolarHBondContact O-CA 3.18Å; K2192-D2453 PolarHBondContact O-N 3.17Å; K2192-N2455 WeakPolarHBondContact CE-OD1 3.29Å; K2192-N2455 PolarHBondContact NZ-OD1 2.91Å | ||
| 2193 | G | 29 | Very low | 29.4 | Very low | 58 Ų | 58 | 97 Ų | 97 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | 106.1 | 160.1 | 122.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | D2453 | G2193-D2453 WeakPolarHBondContact CA-O 2.9Š| |||
| 2194 | I | 31.3 | Very low | 29.8 | Very low | 97 Ų | 97 | 96.7 Ų | 96.7 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | cis | -151.3 | 144.5 | -11.9 | -120.5 | -170 | 0 | 0 | 0 | 111.8 | D2453 N2455 | I2194-D2453 VanDerWaalsContact CB-O 3.24Å; I2194-D2453 WeakPolarHBondContact CB-O 3.37Å; I2194-D2453 WeakPolarHBondContact CG1-O 3.29Å; I2194-N2455 WeakPolarHBondContact CD1-O 3.25Å | ||
| 2195 | N | 28.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 98.5 Ų | 98.5 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | trans | 30.2 | 132.3 | 145.8 | -53.4 | -0 | 0 | 0 | 0 | 122.6 | ||||
| 2196 | N | 28.9 | Very low | 31.4 | Very low | 109 Ų | 109 | 102.3 Ų | 102.3 | 58% | 0.583 | 59% | 0.586 | S | S | * | * | 79.6 | 114.6 | 119.1 | -70.8 | 30.5 | 0 | 0 | 0 | 121.7 | |||||
| 2197 | N | 28.6 | Very low | 32 | Very low | 89 Ų | 89 | 103.1 Ų | 103.1 | 48% | 0.476 | 60% | 0.595 | S | S | . | * | 126.5 | 139.9 | 94.8 | -94.4 | 35.1 | 0 | 0 | 0 | 118.6 | |||||
| 2198 | D | 27 | Very low | 32.2 | Very low | 77 Ų | 77 | 102.8 Ų | 102.8 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | trans | 70 | 91.5 | 139.9 | -50.7 | -11.9 | 0 | 0 | 0 | 119.1 | ||||
| 2199 | D | 29.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 62% | 0.615 | 60% | 0.597 | S | S | * | * | 58.4 | 96.9 | 105.3 | -65.3 | 8.5 | 0 | 0 | 0 | 119.8 | |||||
| 2200 | T | 35.5 | Very low | 32 | Very low | 119 Ų | 119 | 101.6 Ų | 101.6 | 73% | 0.73 | 59% | 0.593 | S | S | * | * | trans | 69.9 | 161.8 | 136.4 | 74.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 2201 | V | 27.5 | Very low | 31.9 | Very low | 53 Ų | 53 | 102.9 Ų | 102.9 | 32% | 0.321 | 60% | 0.596 | S | S | . | * | cis | -148.8 | 162.9 | 10.4 | -156.9 | 0 | 0 | 0 | 0 | 108 | H1719 S1720 G1721 | H1719-V2201 CarbonylContact C-O 3.57Å; S1720-V2201 WeakPolarHBondContact CA-O 3.45Å; S1720-V2201 PolarHBondContact N-O 2.91Å; G1721-V2201 VanDerWaalsContact N-CG2 3.29Å | ||
| 2202 | A | 30.3 | Very low | 31.8 | Very low | 57 Ų | 57 | 100.9 Ų | 100.9 | 47% | 0.471 | 60% | 0.597 | S | S | . | * | trans | -167.8 | 142.7 | 147.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 2203 | T | 36.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 103.6 Ų | 103.6 | 72% | 0.724 | 62% | 0.616 | S | S | * | * | cis | -141.2 | 118.4 | 5.2 | -47.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2204 | T | 33 | Very low | 31.7 | Very low | 87 Ų | 87 | 107.3 Ų | 107.3 | 53% | 0.534 | 62% | 0.622 | S | S | . | * | trans | 11.5 | 143.7 | 137.5 | 32.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 2205 | T | 41.7 | Very low | 31.6 | Very low | 111 Ų | 111 | 109.2 Ų | 109.2 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | cis | -155.8 | -109.4 | -21.7 | 12.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2206 | T | 49.3 | Very low | 31.4 | Very low | 103 Ų | 103 | 108.8 Ų | 108.8 | 63% | 0.632 | 64% | 0.638 | S | S | * | * | cis | -167.9 | 147.7 | -11.8 | -22.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2207 | T | 40.6 | Very low | 31.1 | Very low | 120 Ų | 120 | 109 Ų | 109 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | trans | 61.2 | 146.6 | 157.1 | 56 | 0 | 0 | 0 | 0 | 121 | ||||
| 2208 | T | 32.8 | Very low | 30.9 | Very low | 111 Ų | 111 | 109.9 Ų | 109.9 | 68% | 0.681 | 65% | 0.648 | S | S | * | * | cis | -172.3 | 148.1 | -10.7 | 26.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2209 | I | 28.7 | Very low | 30.7 | Very low | 140 Ų | 140 | 115.4 Ų | 115.4 | 72% | 0.718 | 66% | 0.664 | S | S | * | * | trans | 69.7 | 114.4 | 134.8 | -64.5 | 167.6 | 0 | 0 | 0 | 122.7 | ||||
| 2210 | T | 27.6 | Very low | 30.4 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | trans | 69.6 | 141.1 | 146.5 | 60.8 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 2211 | N | 27.4 | Very low | 29.9 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 76% | 0.759 | 65% | 0.646 | S | S | * | * | trans | 63.1 | 126.2 | 137.1 | -72.7 | -5.5 | 0 | 0 | 0 | 125.3 | ||||
| 2212 | S | 27 | Very low | 30 | Very low | 97 Ų | 97 | 115.9 Ų | 115.9 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | 75.5 | 132.2 | 131 | 69.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 2213 | N | 27.5 | Very low | 29.9 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 75% | 0.749 | 66% | 0.656 | S | S | * | * | trans | 68.7 | 138.6 | 136.6 | -65.6 | 0.2 | 0 | 0 | 0 | 123.9 | ||||
| 2214 | N | 27.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 118.8 Ų | 118.8 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | 80.6 | 133.6 | 143.7 | -64.9 | -7.5 | 0 | 0 | 0 | 123.4 | ||||
| 2215 | N | 28.9 | Very low | 29.2 | Very low | 137 Ų | 137 | 119.4 Ų | 119.4 | 73% | 0.733 | 65% | 0.649 | S | S | * | * | trans | 67.2 | 117.4 | 136.6 | -67.4 | 2 | 0 | 0 | 0 | 123.8 | ||||
| 2216 | C | 23.1 | Very low | 28.4 | Very low | 104 Ų | 104 | 122.5 Ų | 122.5 | 70% | 0.703 | 65% | 0.648 | S | S | * | * | 36 | 129 | 112.7 | -57.7 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 2217 | N | 23.5 | Very low | 27.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 61% | 0.61 | 65% | 0.648 | S | S | * | * | 78.1 | 141 | 128.9 | -69.5 | -22.1 | 0 | 0 | 0 | 123 | |||||
| 2218 | T | 23.7 | Very low | 26.7 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 66% | 0.656 | 65% | 0.647 | S | S | * | * | trans | 84.5 | 126.6 | 137.3 | 38.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2219 | Y | 22.6 | Very low | 26.3 | Very low | 194 Ų | 194 | 124.7 Ų | 124.7 | 76% | 0.761 | 65% | 0.648 | S | S | * | * | trans | 75.5 | 117.7 | 135.1 | -78.6 | -52.7 | 0 | 0 | 0 | 122.9 | ||||
| 2220 | S | 23.7 | Very low | 26.1 | Very low | 51 Ų | 51 | 123.7 Ų | 123.7 | 36% | 0.357 | 64% | 0.644 | S | S | . | * | 101.7 | 148.5 | 115.1 | -77.8 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 2221 | Y | 25.9 | Very low | 26.1 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 61% | 0.608 | 65% | 0.646 | S | S | * | * | trans | 71.6 | 115.8 | 145.8 | -85.9 | -47.6 | 0 | 0 | 0 | 122.7 | ||||
| 2222 | N | 27.8 | Very low | 25.9 | Very low | 90 Ų | 90 | 125.2 Ų | 125.2 | 48% | 0.481 | 64% | 0.636 | S | S | . | * | 87.7 | 105.3 | 123.4 | -88.2 | -8.4 | 0 | 0 | 0 | 119 | E1580 | E1580-N2222 VanDerWaalsContact OE2-CA 3.27Å; E1580-N2222 WeakPolarHBondContact OE2-CA 3.18Å; E1580-N2222 PolarHBondContact OE2-N 3.17Å | |||
| 2223 | H | 29.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | 75.2 | 134 | 108.5 | -90.6 | -2 | 0 | 0 | 0 | 121.4 | E1580 | E1580-H2223 WeakPolarHBondContact OE1-CA 3.35Å; E1580-H2223 IonicContact OE1-CE1 3.7Å; E1580-H2223 IonicContact OE1-CG 3.96Å; E1580-H2223 PolarHBondContact OE1-N 3.43Å; E1580-H2223 IonicContact OE1-ND1 3.8Å; E1580-H2223 PolarHBondContact OE1-ND1 3.25Å | |||
| 2224 | Q | 27.7 | Very low | 25.7 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 59% | 0.593 | 62% | 0.616 | S | S | * | * | 90.3 | 132.4 | 126.2 | -82.6 | 178 | 37.9 | 0 | 0 | 120.8 | |||||
| 2225 | N | 25.7 | Very low | 25.6 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | trans | 68.2 | 104.3 | 137 | -71.9 | -33.9 | 0 | 0 | 0 | 116.5 | ||||
| 2226 | R | 26.8 | Very low | 25.3 | Very low | 177 Ų | 177 | 117.5 Ų | 117.5 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | 178.9 | 158.4 | 53.5 | -99.7 | 146.7 | -168.8 | -172.2 | 5.6 | 110 | D1584 N1585 | D1584-R2226 PolarHBondContact OD2-N 2.73Å; N1585-R2226 PolarHBondContact ND2-O 3.31Å | |||
| 2227 | S | 24.8 | Very low | 25.3 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 62% | 0.622 | 61% | 0.606 | S | S | * | * | cis | -161.3 | 159.8 | 26 | -138 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 2228 | I | 27.6 | Very low | 25.4 | Very low | 138 Ų | 138 | 124 Ų | 124 | 71% | 0.708 | 61% | 0.613 | S | S | * | * | trans | 56.5 | 87.2 | 154.5 | -61.2 | 156.7 | 0 | 0 | 0 | 115.3 | ||||
| 2229 | Q | 24.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 123.9 Ų | 123.9 | 71% | 0.71 | 61% | 0.614 | S | S | * | * | 87.5 | 118.2 | 62.6 | -74.7 | -179.6 | -15.2 | 0 | 0 | 116 | |||||
| 2230 | N | 24.7 | Very low | 25.9 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | 77.3 | 158.3 | 126.9 | -57 | -0.5 | 0 | 0 | 0 | 121.2 | |||||
| 2231 | F | 27 | Very low | 25.9 | Very low | 174 Ų | 174 | 127 Ų | 127 | 76% | 0.763 | 63% | 0.631 | S | S | * | * | trans | 72 | 81.5 | 177.3 | -54.6 | -71 | 0 | 0 | 0 | 114.8 | ||||
| 2232 | E | 25.1 | Very low | 25.9 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 56% | 0.556 | 64% | 0.641 | S | S | * | * | cis | 59.4 | 125.5 | 26.9 | -134.9 | -154.8 | -139.6 | 0 | 0 | 114.2 | ||||
| 2233 | N | 26.1 | Very low | 25.8 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 41% | 0.406 | 65% | 0.653 | S | S | . | * | trans | 64.3 | 129.2 | 152.7 | -68.6 | -22.8 | 0 | 0 | 0 | 118.1 | S539 A540 | S539-N2233 VanDerWaalsContact CB-O 3.29Å; S539-N2233 WeakPolarHBondContact CB-O 3.05Å; S539-N2233 PolarHBondContact OG-O 2.87Å; A540-N2233 HydrophobicContact CB-CB 4.09Å | ||
| 2234 | E | 23.8 | Very low | 25.6 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | cis | -150.5 | -160.8 | 3.4 | -53.4 | -178.6 | 137.7 | 0 | 0 | 107.9 | S539 A540 | S539-E2234 PolarHBondContact OG-N 3.32Å; A540-E2234 HydrophobicContact CB-CG 4.27Å; A540-E2234 PolarHBondContact N-OE2 3.23Å | ||
| 2235 | G | 25 | Very low | 25.6 | Very low | 46 Ų | 46 | 132.4 Ų | 132.4 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | trans | 166.7 | -15.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 2236 | S | 23.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | 64.6 | 170 | 169.4 | 82.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 2237 | F | 23 | Very low | 25.5 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | 58.8 | 125.2 | 166 | -72.9 | -58.4 | 0 | 0 | 0 | 119.1 | ||||
| 2238 | K | 24 | Very low | 25.5 | Very low | 175 Ų | 175 | 139.4 Ų | 139.4 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | cis | -143.3 | 146 | 12.5 | -92.7 | 157.8 | -174.4 | 168.5 | 0 | 112.2 | ||||
| 2239 | P | 30.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 135.3 Ų | 135.3 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | trans | -86.4 | 164.6 | 174.6 | 38.6 | -37.8 | 0 | 0 | 0 | 112.1 | ||||
| 2240 | P | 26.1 | Very low | 25.3 | Very low | 109 Ų | 109 | 133.7 Ų | 133.7 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | -151.7 | 126.7 | 95.5 | 36 | -16.4 | 0 | 0 | 0 | 118.4 | |||||
| 2241 | R | 24 | Very low | 25.3 | Very low | 202 Ų | 202 | 131.1 Ų | 131.1 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | 58.2 | 127.4 | 123.2 | -55 | 167.8 | -165.1 | -154.7 | -1.2 | 121 | |||||
| 2242 | P | 26 | Very low | 25.2 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -80.8 | 113.8 | 151.5 | 32 | -30.6 | 0 | 0 | 0 | 111.8 | ||||
| 2243 | K | 25.7 | Very low | 25.2 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | trans | -149.9 | 144.4 | 158.7 | -63.4 | -166.6 | -179.7 | -172.5 | 0 | 107.6 | ||||
| 2244 | D | 26.7 | Very low | 25.1 | Very low | 162 Ų | 162 | 132.4 Ų | 132.4 | 87% | 0.866 | 66% | 0.664 | S | S | * | * | S | Bend | cis | -101.5 | 94.2 | 11.7 | -72.5 | -44.2 | 0 | 0 | 0 | 114.3 | ||
| 2245 | L | 26.9 | Very low | 25.2 | Very low | 141 Ų | 141 | 131.5 Ų | 131.5 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | trans | -118.8 | 113 | 148.3 | -111.7 | 168.6 | 0 | 0 | 0 | 107 | V2247 | L2245-V2247 HydrophobicContact CB-CG2 4.4Å; L2245-V2247 HydrophobicContact CD2-CG2 4.35Å; L2245-V2247 PolarHBondContact O-N 3.25Å | ||
| 2246 | K | 24.5 | Very low | 25.4 | Very low | 213 Ų | 213 | 135 Ų | 135 | 93% | 0.926 | 69% | 0.686 | S | S | * | * | trans | -75.6 | 79.3 | 169.3 | -85.9 | -169.9 | 174.1 | -177.2 | 0 | 109.1 | ||||
| 2247 | V | 26.5 | Very low | 25.5 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | trans | -92.9 | 108.3 | 163.8 | 177 | 0 | 0 | 0 | 0 | 108.1 | L2245 | L2245-V2247 HydrophobicContact CB-CG2 4.4Å; L2245-V2247 HydrophobicContact CD2-CG2 4.35Å; L2245-V2247 PolarHBondContact O-N 3.25Å | ||
| 2248 | F | 24.1 | Very low | 25.5 | Very low | 202 Ų | 202 | 134.2 Ų | 134.2 | 89% | 0.886 | 69% | 0.686 | S | S | * | * | trans | -170 | 145.3 | 155.2 | -90.1 | -74.8 | 0 | 0 | 0 | 106.5 | ||||
| 2249 | S | 24.5 | Very low | 25.5 | Very low | 52 Ų | 52 | 131.7 Ų | 131.7 | 36% | 0.364 | 68% | 0.68 | S | S | . | * | cis | -175 | 140.9 | -32 | -99.9 | 0 | 0 | 0 | 0 | 107.6 | W1566 | W1566-S2249 VanDerWaalsContact CZ3-CA 3.5Å; W1566-S2249 WeakPolarHBondContact CZ3-OG 2.96Å | ||
| 2250 | R | 24.4 | Very low | 25.2 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 45% | 0.449 | 68% | 0.676 | S | S | . | * | trans | 70 | 144.4 | 161.4 | -59.7 | 176.5 | 173.7 | -178.5 | -9.7 | 114.8 | W1566 D1567 | W1566-R2250 HydrophobicContact CB-CG 3.85Å; W1566-R2250 HydrophobicContact CD2-CB 4.39Å; W1566-R2250 HydrophobicContact CD2-CG 3.82Å; W1566-R2250 VanDerWaalsContact CE2-N 3.26Å; W1566-R2250 HydrophobicContact CE3-CG 3.93Å; W1566-R2250 HydrophobicContact CG-CB 4.44Å; W1566-R2250 HydrophobicContact CG-CG 3.83Å; W1566-R2250 VanDerWaalsContact CZ2-N 3.31Å; D1567-R2250 IonicContact OD2-CZ 3.12Å; D1567-R2250 IonicContact OD2-NE 2.78Å; D1567-R2250 PolarHBondContact OD2-NE 3.34Å; D1567-R2250 IonicContact OD2-NH2 2.66Å; D1567-R2250 PolarHBondContact OD2-NH2 2.57Å | ||
| 2251 | N | 23.7 | Very low | 25.2 | Very low | 65 Ų | 65 | 134.1 Ų | 134.1 | 35% | 0.348 | 68% | 0.677 | S | S | . | * | cis | -164.5 | 164.9 | -5.4 | -124.9 | -53.8 | 0 | 0 | 0 | 115.9 | S1565 | S1565-N2251 VanDerWaalsContact CA-OD1 3.26Å; S1565-N2251 WeakPolarHBondContact CA-OD1 3.18Å; S1565-N2251 WeakPolarHBondContact CB-ND2 3.46Å; S1565-N2251 PolarHBondContact O-OD1 3.11Å; S1565-N2251 PolarHBondContact OG-ND2 3.46Å | ||
| 2252 | R | 25.4 | Very low | 25.2 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 39% | 0.392 | 68% | 0.676 | S | S | . | * | trans | 27.7 | 125.9 | 154.5 | -65.3 | -123.8 | 178.1 | 163.2 | -9.7 | 123.6 | D1463 N1563 K1564 S1565 | D1463-R2252 PolarHBondContact O-NH2 3.19Å; N1563-R2252 PolarHBondContact O-NH1 2.95Å; K1564-R2252 VanDerWaalsContact C-NE 3.28Å; K1564-R2252 PolarHBondContact O-NH1 3.03Å; S1565-R2252 VanDerWaalsContact N-NE 3.16Å; S1565-R2252 VanDerWaalsContact N-NH2 3.18Å; S1565-R2252 PolarHBondContact O-NE 3.29Å; S1565-R2252 PolarHBondContact O-NH2 2.97Å | ||
| 2253 | N | 23.9 | Very low | 25.1 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | 99.7 | 143.5 | 123.2 | -70.5 | 14.8 | 0 | 0 | 0 | 125 | |||||
| 2254 | F | 24.7 | Very low | 25 | Very low | 182 Ų | 182 | 133 Ų | 133 | 80% | 0.798 | 67% | 0.669 | S | S | * | * | trans | 70.3 | 104.5 | 156.3 | -72 | -60.5 | 0 | 0 | 0 | 124.2 | ||||
| 2255 | S | 25.1 | Very low | 24.9 | Very low | 107 Ų | 107 | 130.3 Ų | 130.3 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | 85.2 | 160.9 | 123.2 | 95.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 2256 | P | 30.8 | Very low | 24.8 | Very low | 118 Ų | 118 | 129 Ų | 129 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | trans | -106.2 | -138 | -157.8 | 43.4 | -36.8 | 0 | 0 | 0 | 113.8 | ||||
| 2257 | V | 24.6 | Very low | 24.9 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | trans | 89.3 | 75.4 | -179.3 | -166.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2258 | D | 23.6 | Very low | 25 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 75% | 0.749 | 67% | 0.672 | S | S | * | * | 65.7 | 178.2 | 114 | -153.5 | 12.8 | 0 | 0 | 0 | 121.5 | |||||
| 2259 | L | 24.6 | Very low | 25 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 64% | 0.639 | 66% | 0.655 | S | S | * | * | trans | 73.4 | 56.5 | 159.4 | -62.7 | -178 | 0 | 0 | 0 | 120.7 | ||||
| 2260 | T | 23.8 | Very low | 25.1 | Very low | 96 Ų | 96 | 129 Ų | 129 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | 77.6 | 160.6 | 114.9 | 68 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 2261 | K | 24.8 | Very low | 25.1 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 73% | 0.726 | 68% | 0.678 | S | S | * | * | trans | 76.5 | 122.3 | 145.8 | -79.2 | 154.9 | -167.8 | 157 | 0 | 119.9 | ||||
| 2262 | Y | 24.1 | Very low | 25.1 | Very low | 190 Ų | 190 | 130 Ų | 130 | 75% | 0.745 | 69% | 0.69 | S | S | * | * | trans | 77.8 | 147.3 | 144.3 | -81.4 | -140.2 | 0 | 0 | 0 | 117.9 | ||||
| 2263 | R | 24.8 | Very low | 25.2 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 69% | 0.694 | 71% | 0.714 | S | S | * | * | cis | -169.5 | 160.1 | -27 | -154 | 166.4 | 178.9 | 169 | -2.8 | 106.5 | ||||
| 2264 | S | 24.3 | Very low | 25.3 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | 35.6 | 122.3 | 152.1 | 55.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 2265 | S | 24.5 | Very low | 25.3 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | cis | 167 | 172 | 33.5 | 43.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2266 | S | 25.3 | Very low | 25.3 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | 55.4 | 110.2 | 154.6 | 62.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2267 | G | 25.6 | Very low | 25.1 | Very low | 77 Ų | 77 | 141 Ų | 141 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | 98.4 | 72.5 | 110.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 2268 | K | 27.9 | Very low | 25 | Very low | 201 Ų | 201 | 140 Ų | 140 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -143.3 | 93.4 | 143.2 | -106 | 170.9 | -173.4 | 174.6 | 0 | 110.7 | I2270 | K2268-I2270 PolarHBondContact O-N 3.19Å; K2268-I2270 VanDerWaalsContact O-N 3.11Å | ||
| 2269 | K | 25.8 | Very low | 25.1 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 53% | 0.53 | 70% | 0.702 | S | S | . | * | trans | -62 | 107.1 | 153 | -87.2 | 178.6 | 171.8 | 170.8 | 0 | 106.9 | E1869 F1871 S2271 | E1869-K2269 IonicContact OE2-NZ 3.1Å; F1871-K2269 HydrophobicContact CE2-CD 4.35Å; K2269-S2271 PolarHBondContact O-N 2.88Å; K2269-S2271 VanDerWaalsContact O-N 3.14Å; K2269-S2271 PolarHBondContact O-OG 2.98Å | ||
| 2270 | I | 26.4 | Very low | 25.1 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 85% | 0.851 | 69% | 0.689 | S | S | * | * | trans | -63.1 | 117.3 | 159.8 | -66 | 179.4 | 0 | 0 | 0 | 105.8 | K2268 | K2268-I2270 PolarHBondContact O-N 3.19Å; K2268-I2270 VanDerWaalsContact O-N 3.11Å | ||
| 2271 | S | 23.8 | Very low | 25.2 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 44% | 0.441 | 68% | 0.684 | S | S | . | * | trans | -137.7 | 140.4 | -176.6 | 52.6 | 0 | 0 | 0 | 0 | 107.2 | K2269 | K2269-S2271 PolarHBondContact O-N 2.88Å; K2269-S2271 VanDerWaalsContact O-N 3.14Å; K2269-S2271 PolarHBondContact O-OG 2.98Å | ||
| 2272 | F | 23.9 | Very low | 25.3 | Very low | 140 Ų | 140 | 130.7 Ų | 130.7 | 61% | 0.614 | 67% | 0.673 | S | S | * | * | trans | 66 | 143.9 | -170.2 | -48.9 | -99.8 | 0 | 0 | 0 | 112 | K2274 | F2272-K2274 HydrophobicContact CD1-CD 4.04Å; F2272-K2274 HydrophobicContact CD1-CG 4.44Å; F2272-K2274 HydrophobicContact CE1-CD 3.9Å | ||
| 2273 | F | 26.3 | Very low | 25.4 | Very low | 204 Ų | 204 | 127.7 Ų | 127.7 | 90% | 0.895 | 67% | 0.668 | S | S | * | * | cis | -87.9 | 128.3 | 15.7 | -97.6 | -99.1 | 0 | 0 | 0 | 116.3 | ||||
| 2274 | K | 27.3 | Very low | 25.5 | Very low | 129 Ų | 129 | 127 Ų | 127 | 56% | 0.561 | 68% | 0.676 | S | S | * | * | trans | -70.7 | 118.7 | 147.4 | -66.8 | 156.1 | 176.8 | 149.7 | 0 | 106.8 | F2272 K2276 | F2272-K2274 HydrophobicContact CD1-CD 4.04Å; F2272-K2274 HydrophobicContact CD1-CG 4.44Å; F2272-K2274 HydrophobicContact CE1-CD 3.9Å; K2274-K2276 HydrophobicContact CB-CB 4.24Å; K2274-K2276 HydrophobicContact CB-CG 4.42Å; K2274-K2276 PolarHBondContact O-N 2.6Å | ||
| 2275 | K | 24.6 | Very low | 25.7 | Very low | 199 Ų | 199 | 125.5 Ų | 125.5 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | trans | -74.2 | 63 | 148.8 | -103 | -172.5 | 177.6 | 180 | 0 | 108.8 | I2277 | K2275-I2277 PolarHBondContact O-N 2.9Š| ||
| 2276 | K | 25.6 | Very low | 25.8 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | trans | -69.8 | 105.2 | 155.1 | -103.1 | -162.6 | 172 | -167.2 | 0 | 105 | K2274 P2278 | K2274-K2276 HydrophobicContact CB-CB 4.24Å; K2274-K2276 HydrophobicContact CB-CG 4.42Å; K2274-K2276 PolarHBondContact O-N 2.6Å; K2276-P2278 VanDerWaalsContact C-CD 3.44Å; K2276-P2278 WeakPolarHBondContact O-CD 3.48Å | ||
| 2277 | I | 25 | Very low | 26 | Very low | 149 Ų | 149 | 124.1 Ų | 124.1 | 76% | 0.764 | 64% | 0.64 | S | S | * | * | trans | -91.7 | 94.4 | 157.8 | -59.9 | 174.8 | 0 | 0 | 0 | 105.2 | K2275 | K2275-I2277 PolarHBondContact O-N 2.9Š| ||
| 2278 | P | 24.4 | Very low | 26.1 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 69% | 0.688 | 63% | 0.629 | S | S | * | * | trans | -73 | 141.3 | 164 | 33.2 | -33.4 | 0 | 0 | 0 | 109 | K2276 | K2276-P2278 VanDerWaalsContact C-CD 3.44Å; K2276-P2278 WeakPolarHBondContact O-CD 3.48Å | ||
| 2279 | S | 24.7 | Very low | 26 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 52% | 0.517 | 62% | 0.617 | S | S | . | * | trans | -72.8 | 169.8 | 170.4 | 54.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 2280 | E | 25.2 | Very low | 26 | Very low | 79 Ų | 79 | 123.3 Ų | 123.3 | 37% | 0.369 | 62% | 0.624 | S | S | . | * | trans | 81.6 | 121.1 | 156.1 | -65.5 | -171.2 | 115.2 | 0 | 0 | 121 | F747 K1819 | F747-E2280 HydrophobicContact CD1-CG 3.67Å; F747-E2280 HydrophobicContact CE1-CG 3.81Å; F747-E2280 HydrophobicContact CG-CG 4.4Å; K1819-E2280 IonicContact NZ-OE1 3.5Å; K1819-E2280 IonicContact NZ-OE2 2.64Å; K1819-E2280 PolarHBondContact NZ-OE2 2.94Å | ||
| 2281 | S | 24.9 | Very low | 26 | Very low | 71 Ų | 71 | 121.4 Ų | 121.4 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | 85.3 | 111.1 | 128.3 | 63.6 | 0 | 0 | 0 | 0 | 119.3 | P748 | P748-S2281 VanDerWaalsContact CB-CA 3.48Š| |||
| 2282 | Q | 27.2 | Very low | 26 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 49% | 0.491 | 62% | 0.624 | S | S | . | * | 92.4 | 125.2 | 76.9 | -147.8 | 173.1 | 34.5 | 0 | 0 | 108.4 | P748 S749 | P748-Q2282 HydrophobicContact CB-CB 4.17Å; P748-Q2282 HydrophobicContact CB-CG 4.43Å; P748-Q2282 HydrophobicContact CG-CB 3.63Å; P748-Q2282 HydrophobicContact CG-CG 3.61Å; P748-Q2282 PolarHBondContact O-NE2 3.44Å; S749-Q2282 PolarHBondContact O-NE2 2.81Å; S749-Q2282 PolarHBondContact O-OE1 2.89Å; S749-Q2282 PolarHBondContact OG-OE1 2.94Å | |||
| 2283 | I | 25.6 | Very low | 26.2 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 65% | 0.646 | 63% | 0.629 | S | S | * | * | -175.4 | 137.2 | 81.2 | -98.1 | -179.4 | 0 | 0 | 0 | 109.3 | |||||
| 2284 | M | 26.8 | Very low | 26.7 | Very low | 171 Ų | 171 | 123.8 Ų | 123.8 | 84% | 0.842 | 62% | 0.623 | S | S | * | * | trans | 44.2 | 155 | 143.5 | -57.7 | -169.3 | -51.2 | 0 | 0 | 123.1 | ||||
| 2285 | A | 28.6 | Very low | 26.7 | Very low | 66 Ų | 66 | 121.2 Ų | 121.2 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | cis | -177.1 | -178 | -21.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2286 | H | 28.2 | Very low | 27 | Very low | 124 Ų | 124 | 118.2 Ų | 118.2 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | trans | 68.8 | 138 | 163.7 | -81.4 | -131.9 | 0 | 0 | 0 | 115.5 | T721 S722 | T721-H2286 HydrophobicContact CG2-CB 4.49Å; S722-H2286 PolarHBondContact N-O 2.95Å | ||
| 2287 | D | 28 | Very low | 27.1 | Very low | 64 Ų | 64 | 115.8 Ų | 115.8 | 34% | 0.342 | 61% | 0.611 | S | S | . | * | cis | -168.7 | 167.6 | 16.5 | -112.6 | -20.5 | 0 | 0 | 0 | 108.8 | N724 | N724-D2287 PolarHBondContact OD1-O 3.36Š| ||
| 2288 | Q | 27.5 | Very low | 27.2 | Very low | 120 Ų | 120 | 115.7 Ų | 115.7 | 56% | 0.561 | 61% | 0.606 | S | S | * | * | cis | -167.3 | 167.4 | -18.4 | -147.7 | 176.1 | 87.6 | 0 | 0 | 106.6 | ||||
| 2289 | L | 26.1 | Very low | 27.3 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 61% | 0.613 | 61% | 0.608 | S | S | * | * | trans | 64.2 | 163.8 | 164.2 | -56.7 | 167.9 | 0 | 0 | 0 | 115.4 | ||||
| 2290 | Q | 26.5 | Very low | 27.4 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | cis | -139.2 | 121.8 | 5.2 | -155.5 | 154.6 | -6.9 | 0 | 0 | 112.9 | ||||
| 2291 | E | 25.5 | Very low | 27.5 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 58% | 0.584 | 64% | 0.637 | S | S | * | * | trans | 51.9 | 148.7 | 136.4 | -62.6 | 177.7 | 134.1 | 0 | 0 | 124.7 | ||||
| 2292 | M | 23.3 | Very low | 27.5 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 70% | 0.704 | 65% | 0.65 | S | S | * | * | trans | 51.3 | 114.7 | 144.9 | -67.4 | -178.7 | -72 | 0 | 0 | 118.1 | ||||
| 2293 | N | 29.3 | Very low | 27.4 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | -163.6 | 158.4 | 66.4 | -114.5 | -62.8 | 0 | 0 | 0 | 116 | |||||
| 2294 | K | 35.8 | Very low | 27.2 | Very low | 180 Ų | 180 | 124.2 Ų | 124.2 | 78% | 0.783 | 66% | 0.655 | S | S | * | * | trans | 66.1 | 95.6 | 164.5 | -64.7 | 172 | -176.6 | -179.7 | 0 | 116.5 | ||||
| 2295 | S | 27.9 | Very low | 27.2 | Very low | 76 Ų | 76 | 126.3 Ų | 126.3 | 53% | 0.531 | 65% | 0.654 | S | S | . | * | 85.5 | 98 | 51.4 | 77.6 | 0 | 0 | 0 | 0 | 114.1 | E2297 | S2295-E2297 WeakPolarHBondContact CB-OE2 3.41Š| |||
| 2296 | T | 31.3 | Very low | 27 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 83% | 0.828 | 65% | 0.654 | S | S | * | * | -169 | 117.9 | 114.3 | 17.3 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 2297 | E | 26.7 | Very low | 26.9 | Very low | 120 Ų | 120 | 128 Ų | 128 | 56% | 0.561 | 66% | 0.657 | S | S | * | * | cis | 64.2 | 134.8 | 32.4 | -48.9 | -169.7 | 101.3 | 0 | 0 | 112.5 | S2295 | S2295-E2297 WeakPolarHBondContact CB-OE2 3.41Š| ||
| 2298 | K | 27.8 | Very low | 27 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 64% | 0.643 | 68% | 0.676 | S | S | * | * | cis | -164.4 | -161.4 | -4.8 | -123.8 | -178.3 | -163.4 | 147.6 | 0 | 109.5 | ||||
| 2299 | E | 26.6 | Very low | 27 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 73% | 0.729 | 68% | 0.678 | S | S | * | * | trans | 66.3 | 93.8 | 140.1 | -81.4 | 144 | -136.5 | 0 | 0 | 119.4 | ||||
| 2300 | A | 26.4 | Very low | 27.1 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 69% | 0.685 | S | S | * | * | 65.8 | -166 | 107.6 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 2301 | I | 27 | Very low | 27.2 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | 58.2 | 91.3 | 178.2 | -54 | -177 | 0 | 0 | 0 | 112.9 | ||||
| 2302 | Q | 25.6 | Very low | 27.3 | Very low | 166 Ų | 166 | 125.9 Ų | 125.9 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | 71 | 142.7 | 74 | -179.5 | -178.7 | -20.4 | 0 | 0 | 113.1 | |||||
| 2303 | C | 24 | Very low | 27.5 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | trans | 58.3 | 79.8 | 164.1 | -73.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 2304 | S | 23.2 | Very low | 27.4 | Very low | 88 Ų | 88 | 118.6 Ų | 118.6 | 62% | 0.615 | 64% | 0.637 | S | S | * | * | 65.2 | -177.5 | 113.7 | 61.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 2305 | W | 25.4 | Very low | 26.9 | Very low | 214 Ų | 214 | 115.5 Ų | 115.5 | 81% | 0.811 | 63% | 0.629 | S | S | * | * | trans | 67.3 | 126.2 | 173 | -52.4 | 105.1 | 0 | 0 | 0 | 116.8 | ||||
| 2306 | T | 25.2 | Very low | 26.8 | Very low | 91 Ų | 91 | 116 Ų | 116 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | cis | -167 | 179.6 | -21.7 | -0.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2307 | E | 26 | Very low | 26.4 | Very low | 135 Ų | 135 | 114 Ų | 114 | 63% | 0.631 | 63% | 0.63 | S | S | * | * | trans | 45.5 | 142.4 | 137.4 | -68.8 | 167.8 | -161.4 | 0 | 0 | 122 | ||||
| 2308 | K | 29.1 | Very low | 26.3 | Very low | 172 Ų | 172 | 115.5 Ų | 115.5 | 75% | 0.748 | 64% | 0.64 | S | S | * | * | cis | -134.7 | 150.4 | -4.6 | -90.8 | 126.2 | -179.4 | 154.7 | 0 | 105.7 | ||||
| 2309 | G | 27.8 | Very low | 26.2 | Very low | 57 Ų | 57 | 116 Ų | 116 | 59% | 0.588 | 64% | 0.644 | S | S | * | * | cis | 106.6 | 161.9 | 31 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2310 | N | 29.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | trans | 57.8 | 86.6 | 175.7 | -52.7 | -1.3 | 0 | 0 | 0 | 114.9 | ||||
| 2311 | L | 28.6 | Very low | 26.4 | Very low | 83 Ų | 83 | 114.8 Ų | 114.8 | 44% | 0.435 | 64% | 0.641 | S | S | . | * | cis | 68.9 | 104.4 | 20.9 | -127.7 | 104.4 | 0 | 0 | 0 | 108.5 | I2415 K2416 | L2311-I2415 VanDerWaalsContact CA-CG2 3.43Å; L2311-I2415 HydrophobicContact CB-CB 4.38Å; L2311-I2415 HydrophobicContact CB-CG2 3.09Å; L2311-I2415 HydrophobicContact CD2-CB 3.89Å; L2311-I2415 HydrophobicContact CD2-CG2 3.21Å; L2311-I2415 HydrophobicContact CG-CB 4.26Å; L2311-I2415 HydrophobicContact CG-CG2 3.35Å; L2311-I2415 WeakPolarHBondContact O-CG2 3.26Å; L2311-K2416 VanDerWaalsContact CD1-O 3.3Å; L2311-K2416 WeakPolarHBondContact CD1-O 3.43Å; L2311-K2416 VanDerWaalsContact CG-O 3.31Å; L2311-K2416 WeakPolarHBondContact CG-O 3.27Å | ||
| 2312 | P | 26.9 | Very low | 26.4 | Very low | 72 Ų | 72 | 113.8 Ų | 113.8 | 47% | 0.468 | 64% | 0.636 | S | S | . | * | -156.2 | 111.9 | 127.7 | 37.2 | -15.5 | 0 | 0 | 0 | 120.4 | I2415 K2416 | P2312-I2415 HydrophobicContact CB-CB 4.49Å; P2312-I2415 HydrophobicContact CB-CG1 3.89Å; P2312-I2415 HydrophobicContact CB-CG2 4.29Å; P2312-K2416 WeakPolarHBondContact O-CB 3.47Å; P2312-K2416 WeakPolarHBondContact O-CE 3.32Å; P2312-K2416 PolarHBondContact O-NZ 3.45Å | |||
| 2313 | T | 26.7 | Very low | 26.4 | Very low | 55 Ų | 55 | 111 Ų | 111 | 34% | 0.337 | 63% | 0.632 | S | S | . | * | trans | -84.1 | -178.3 | 161.6 | 40 | 0 | 0 | 0 | 0 | 107.6 | S2414 I2415 K2416 | T2313-S2414 WeakPolarHBondContact O-CB 3.43Å; T2313-S2414 VanDerWaalsContact OG1-CA 3.23Å; T2313-S2414 WeakPolarHBondContact OG1-CA 3.22Å; T2313-I2415 VanDerWaalsContact N-C 3.26Å; T2313-I2415 VanDerWaalsContact N-CA 3.26Å; T2313-I2415 WeakPolarHBondContact OG1-CA 3.23Å; T2313-I2415 PolarHBondContact OG1-N 3.03Å; T2313-I2415 VanDerWaalsContact OG1-N 3.07Å; T2313-I2415 PolarHBondContact OG1-O 3.2Å; T2313-K2416 HydrophobicContact CG2-CB 3.73Å; T2313-K2416 HydrophobicContact CG2-CD 4.38Å; T2313-K2416 HydrophobicContact CG2-CG 3.8Å | ||
| 2314 | P | 29 | Very low | 26.9 | Very low | 70 Ų | 70 | 110.1 Ų | 110.1 | 46% | 0.455 | 63% | 0.627 | S | S | . | * | cis | -151 | -146.9 | 22.6 | 49 | -27.2 | 0 | 0 | 0 | 115.8 | S2414 | P2314-S2414 VanDerWaalsContact CB-N 3.3Š| ||
| 2315 | N | 23.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 111.2 Ų | 111.2 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | trans | 3.6 | 116.1 | 142.1 | -32.7 | -29.3 | 0 | 0 | 0 | 115.7 | ||||
| 2316 | A | 25.7 | Very low | 27.1 | Very low | 87 Ų | 87 | 107.2 Ų | 107.2 | 72% | 0.719 | 63% | 0.627 | S | S | * | * | -145 | 128.1 | 115.1 | 0 | 0 | 0 | 0 | 0 | 104.6 | |||||
| 2317 | S | 23.1 | Very low | 27.2 | Very low | 94 Ų | 94 | 109.5 Ų | 109.5 | 66% | 0.657 | 64% | 0.635 | S | S | * | * | cis | 51 | 101 | 33.6 | 82.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 2318 | I | 24.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 109.9 Ų | 109.9 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | trans | 175.2 | 120.4 | 145.2 | -94.5 | 150.7 | 0 | 0 | 0 | 108 | ||||
| 2319 | H | 26.6 | Very low | 27 | Very low | 158 Ų | 158 | 106.7 Ų | 106.7 | 73% | 0.731 | 64% | 0.638 | S | S | * | * | trans | 51 | 106.5 | 148.8 | -69.9 | -93.5 | 0 | 0 | 0 | 120 | ||||
| 2320 | T | 31.2 | Very low | 27 | Very low | 111 Ų | 111 | 112.4 Ų | 112.4 | 68% | 0.681 | 64% | 0.642 | S | S | * | * | -30.7 | 131.3 | 122.3 | 37.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 2321 | P | 26.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 109.3 Ų | 109.3 | 71% | 0.714 | 63% | 0.63 | S | S | * | * | -120.3 | 164.3 | 91.2 | 40.3 | -35.4 | 0 | 0 | 0 | 110 | |||||
| 2322 | L | 26.5 | Very low | 26.7 | Very low | 126 Ų | 126 | 109.1 Ų | 109.1 | 66% | 0.66 | 63% | 0.629 | S | S | * | * | 51.5 | 152.6 | 54 | -87 | 87 | 0 | 0 | 0 | 112.8 | |||||
| 2323 | P | 26.1 | Very low | 26.7 | Very low | 106 Ų | 106 | 111.8 Ų | 111.8 | 69% | 0.688 | 64% | 0.636 | S | S | * | * | cis | -122.2 | -174.2 | 7.8 | 33.8 | -13.9 | 0 | 0 | 0 | 113.1 | ||||
| 2324 | S | 33.6 | Very low | 26.7 | Very low | 76 Ų | 76 | 114.6 Ų | 114.6 | 53% | 0.531 | 64% | 0.643 | S | S | . | * | trans | -51.6 | 143 | 144.6 | -46.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 2325 | P | 28.3 | Very low | 26.6 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 65% | 0.653 | S | S | * | * | -89.9 | 141.7 | 86.8 | -27.4 | 38.7 | 0 | 0 | 0 | 111.6 | |||||
| 2326 | D | 25.1 | Very low | 26.9 | Very low | 130 Ų | 130 | 117.6 Ų | 117.6 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | cis | 62.3 | 169 | 42 | -54.3 | -54.7 | 0 | 0 | 0 | 112.6 | ||||
| 2327 | L | 26.9 | Very low | 26.9 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | trans | 65.9 | 87.9 | 170.9 | -55.1 | -169.9 | 0 | 0 | 0 | 115.5 | ||||
| 2328 | L | 25 | Very low | 27.1 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | 94.1 | 158.3 | 114.1 | -78.3 | 170.3 | 0 | 0 | 0 | 115.6 | |||||
| 2329 | C | 27 | Very low | 27.3 | Very low | 104 Ų | 104 | 117.5 Ų | 117.5 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | trans | 53 | 95.5 | 150.1 | -68.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 2330 | R | 26.7 | Very low | 27.3 | Very low | 177 Ų | 177 | 115.8 Ų | 115.8 | 67% | 0.668 | 65% | 0.648 | S | S | * | * | cis | 45.1 | 130.2 | 39.5 | -126.8 | -166.4 | -173.5 | -131.3 | 0.7 | 109.3 | ||||
| 2331 | P | 27.6 | Very low | 27.2 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 51% | 0.506 | 65% | 0.65 | S | S | . | * | cis | -143.4 | -169.8 | 31.4 | 38.1 | -11.3 | 0 | 0 | 0 | 109.8 | ||||
| 2332 | N | 25 | Very low | 27.3 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 42% | 0.422 | 65% | 0.647 | S | S | . | * | 94 | 143.5 | 99.1 | -91 | 12.9 | 0 | 0 | 0 | 115.6 | |||||
| 2333 | E | 26.1 | Very low | 27.6 | Very low | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | cis | -179.8 | -166.1 | -18.5 | -136.6 | 178 | -176.9 | 0 | 0 | 111.7 | ||||
| 2334 | K | 26.4 | Very low | 27.8 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 50% | 0.496 | 66% | 0.656 | S | S | . | * | trans | 76.5 | -153.1 | 135.8 | -91 | 170.5 | -178 | 114.9 | 0 | 114.6 | P2491 D2492 | K2334-P2491 PolarHBondContact NZ-O 2.59Å; K2334-D2492 PolarHBondContact NZ-O 2.78Å | ||
| 2335 | H | 27.9 | Very low | 27.6 | Very low | 144 Ų | 144 | 122 Ų | 122 | 67% | 0.667 | 67% | 0.666 | S | S | * | * | trans | -53.9 | 130.1 | -163.3 | -63.3 | -52.2 | 0 | 0 | 0 | 114.1 | ||||
| 2336 | N | 28.5 | Very low | 27.4 | Very low | 104 Ų | 104 | 121.3 Ų | 121.3 | 56% | 0.556 | 66% | 0.664 | S | S | * | * | cis | -153.4 | 169.3 | -2.1 | -92.6 | -39.9 | 0 | 0 | 0 | 107.5 | Y2338 | N2336-Y2338 HydrophobicContact CB-CD2 4.31Å; N2336-Y2338 HydrophobicContact CB-CE2 4.11Å | ||
| 2337 | G | 27 | Very low | 27.4 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | cis | 73 | 141.7 | 42.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2338 | Y | 27.6 | Very low | 27.3 | Very low | 179 Ų | 179 | 119.5 Ų | 119.5 | 70% | 0.702 | 65% | 0.649 | S | S | * | * | cis | -127.7 | 133.6 | 9.7 | -74 | -106 | 0 | 0 | 0 | 107.9 | N2336 | N2336-Y2338 HydrophobicContact CB-CD2 4.31Å; N2336-Y2338 HydrophobicContact CB-CE2 4.11Å | ||
| 2339 | A | 26.8 | Very low | 27.3 | Very low | 87 Ų | 87 | 117.6 Ų | 117.6 | 72% | 0.719 | 65% | 0.647 | S | S | * | * | 70.7 | -175.6 | 57.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 2340 | V | 27.2 | Very low | 27.3 | Very low | 123 Ų | 123 | 116.8 Ų | 116.8 | 75% | 0.745 | 64% | 0.636 | S | S | * | * | trans | 71 | 77.9 | 174.4 | -162.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2341 | G | 28.7 | Very low | 27.2 | Very low | 71 Ų | 71 | 116.5 Ų | 116.5 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | 82.3 | 174.7 | 127.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 2342 | S | 29.8 | Very low | 27.2 | Very low | 94 Ų | 94 | 120.1 Ų | 120.1 | 66% | 0.657 | 64% | 0.64 | S | S | * | * | cis | -179.7 | 154.1 | -10.5 | 44.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 2343 | F | 31.9 | Very low | 27.2 | Very low | 165 Ų | 165 | 124.4 Ų | 124.4 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | cis | -134.4 | 156.2 | 21.3 | -82.3 | -98.4 | 0 | 0 | 0 | 109.1 | ||||
| 2344 | R | 30.3 | Very low | 27.3 | Very low | 216 Ų | 216 | 123 Ų | 123 | 82% | 0.815 | 64% | 0.643 | S | S | * | * | 41.9 | 150.7 | 80.2 | -48.7 | -174.9 | -178.5 | 170.8 | -1.8 | 115.6 | |||||
| 2345 | P | 29.5 | Very low | 27.3 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 64% | 0.644 | S | S | * | * | cis | -104.5 | 177.1 | -9.7 | 33.1 | -14.9 | 0 | 0 | 0 | 110.6 | ||||
| 2346 | S | 24.5 | Very low | 27.3 | Very low | 96 Ų | 96 | 118.9 Ų | 118.9 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | cis | 58.7 | 145.8 | 49.1 | -18.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2347 | K | 25.7 | Very low | 27.2 | Very low | 174 Ų | 174 | 119.1 Ų | 119.1 | 76% | 0.757 | 64% | 0.636 | S | S | * | * | cis | -165.5 | 173.5 | 15.1 | -138.5 | 159.2 | -172.7 | 180 | 0 | 110.2 | ||||
| 2348 | V | 25.1 | Very low | 27.2 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 35% | 0.352 | 63% | 0.634 | S | S | . | * | trans | -5.9 | 125.7 | 134.3 | -175.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 2349 | S | 25.1 | Very low | 27.2 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 63% | 0.629 | S | S | * | * | -163 | 125.5 | 82.2 | -55 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 2350 | D | 25.5 | Very low | 27.2 | Very low | 87 Ų | 87 | 121.6 Ų | 121.6 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | 75.6 | 151 | 80.9 | -102.5 | -53.7 | 0 | 0 | 0 | 115.6 | |||||
| 2351 | Y | 25.6 | Very low | 27.2 | Very low | 170 Ų | 170 | 122.1 Ų | 122.1 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | trans | 81.2 | 113.4 | 157.1 | -89.7 | -147.7 | 0 | 0 | 0 | 121.7 | ||||
| 2352 | R | 26.1 | Very low | 26.9 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 58% | 0.581 | 63% | 0.625 | S | S | * | * | trans | 86.5 | 119.6 | 137.4 | -72.7 | -170.1 | 144 | 119.4 | -11.9 | 116.1 | ||||
| 2353 | R | 26.8 | Very low | 26.7 | Very low | 169 Ų | 169 | 122 Ų | 122 | 64% | 0.638 | 62% | 0.618 | S | S | * | * | 71.2 | 150.7 | 61.5 | -69.6 | -167.6 | -135.4 | 175.1 | -0.2 | 110.5 | |||||
| 2354 | E | 26.6 | Very low | 26.3 | Very low | 98 Ų | 98 | 119.9 Ų | 119.9 | 46% | 0.458 | 61% | 0.609 | S | S | . | * | cis | -146.5 | 160.2 | 18.1 | -134.3 | 147.8 | -138.4 | 0 | 0 | 110.4 | K1299 | K1299-E2354 PolarHBondContact NZ-O 2.66Š| ||
| 2355 | N | 27.5 | Very low | 26.1 | Very low | 97 Ų | 97 | 113.3 Ų | 113.3 | 52% | 0.519 | 60% | 0.596 | S | S | . | * | trans | 59.8 | 163.1 | 155.5 | -53.9 | -29.5 | 0 | 0 | 0 | 117.8 | K1299 | K1299-N2355 WeakPolarHBondContact CE-O 3.32Å; K1299-N2355 PolarHBondContact NZ-O 2.85Å | ||
| 2356 | S | 27.6 | Very low | 26.1 | Very low | 75 Ų | 75 | 114.1 Ų | 114.1 | 52% | 0.524 | 59% | 0.594 | S | S | . | * | cis | -134.2 | 128.5 | 7.6 | -53.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2357 | M | 26.6 | Very low | 26.1 | Very low | 109 Ų | 109 | 115 Ų | 115 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | 57.5 | 137.8 | 96.5 | -63.5 | -177.7 | 175.3 | 0 | 0 | 114.4 | S1302 L2359 | S1302-M2357 PolarHBondContact N-O 2.94Å; M2357-L2359 HydrophobicContact CG-CD1 4.34Å | |||
| 2358 | K | 27.7 | Very low | 26.4 | Very low | 138 Ų | 138 | 114.2 Ų | 114.2 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | cis | -135 | 148.3 | 17.6 | -113.1 | 132 | -176 | -175.1 | 0 | 108.3 | N1303 | N1303-K2358 WeakPolarHBondContact OD1-CB 3.29Š| ||
| 2359 | L | 27.4 | Very low | 26.3 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 60% | 0.602 | 60% | 0.595 | S | S | * | * | 58.9 | 128.2 | 55.8 | -58.8 | 170 | 0 | 0 | 0 | 110.9 | M2357 | M2357-L2359 HydrophobicContact CG-CD1 4.34Š| |||
| 2360 | D | 25.6 | Very low | 26.3 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 68% | 0.684 | 59% | 0.594 | S | S | * | * | cis | -131.9 | -162.5 | -10.6 | -75.8 | -55.5 | 0 | 0 | 0 | 106.1 | ||||
| 2361 | D | 26.8 | Very low | 26.3 | Very low | 134 Ų | 134 | 123.3 Ų | 123.3 | 72% | 0.717 | 60% | 0.602 | S | S | * | * | cis | -152 | 160.4 | 20.4 | -104.8 | -61.7 | 0 | 0 | 0 | 106.6 | ||||
| 2362 | S | 23.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | 52.5 | 146.2 | 68 | 115.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 2363 | A | 24.9 | Very low | 26.1 | Very low | 63 Ų | 63 | 119.9 Ų | 119.9 | 52% | 0.521 | 61% | 0.609 | S | S | . | * | cis | -156.9 | -176.8 | -4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2364 | F | 24.3 | Very low | 26.1 | Very low | 120 Ų | 120 | 120.5 Ų | 120.5 | 53% | 0.526 | 61% | 0.612 | S | S | . | * | trans | 41.9 | 116.2 | 149.4 | -80.1 | -118.5 | 0 | 0 | 0 | 119.5 | D822 G823 | D822-F2364 WeakPolarHBondContact O-CE2 3.29Å; G823-F2364 WeakPolarHBondContact O-CB 3.46Å | ||
| 2365 | S | 26 | Very low | 26.1 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | 63.7 | 123.8 | 71.7 | -171.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2366 | N | 30 | Very low | 26 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 70% | 0.695 | 62% | 0.621 | S | S | * | * | trans | 50.6 | 110.9 | 156.3 | -66.5 | -21.3 | 0 | 0 | 0 | 118.5 | ||||
| 2367 | K | 24.4 | Very low | 26 | Very low | 116 Ų | 116 | 126.2 Ų | 126.2 | 50% | 0.504 | 63% | 0.627 | S | S | . | * | -174.6 | 130 | 106.7 | -95.8 | 152.2 | -174.7 | -177.7 | 0 | 109.7 | L824 | L824-K2367 HydrophobicContact CD2-CD 3.98Š| |||
| 2368 | L | 31.1 | Very low | 26 | Very low | 157 Ų | 157 | 127.8 Ų | 127.8 | 82% | 0.822 | 63% | 0.633 | S | S | * | * | 44.3 | 109.7 | 82 | -91.4 | 165.3 | 0 | 0 | 0 | 111.3 | |||||
| 2369 | R | 23.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 124.8 Ų | 124.8 | 48% | 0.479 | 63% | 0.63 | S | S | . | * | trans | -175.4 | 153.4 | 146.7 | -75 | -132.3 | -153.7 | 176.1 | 8.5 | 107.9 | S825 I828 | S825-R2369 PolarHBondContact OG-NH2 3.12Å; I828-R2369 HydrophobicContact CD1-CB 3.66Å; I828-R2369 WeakPolarHBondContact CD1-O 3.35Å | ||
| 2370 | Y | 23.6 | Very low | 26 | Very low | 174 Ų | 174 | 126 Ų | 126 | 68% | 0.682 | 63% | 0.632 | S | S | * | * | cis | -157.8 | 179.7 | -28.7 | -133.3 | -102.7 | 0 | 0 | 0 | 106.4 | ||||
| 2371 | H | 25.6 | Very low | 26.2 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 63% | 0.634 | 63% | 0.63 | S | S | * | * | trans | 68.9 | 111.6 | -178 | -61.5 | -79.7 | 0 | 0 | 0 | 112.7 | ||||
| 2372 | E | 22.9 | Very low | 26.3 | Very low | 149 Ų | 149 | 130 Ų | 130 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | 72.2 | 135.1 | 78.2 | -69 | 157.4 | -150.1 | 0 | 0 | 110.9 | |||||
| 2373 | C | 26.2 | Very low | 26.7 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 70% | 0.696 | 64% | 0.635 | S | S | * | * | cis | -128.4 | 149.2 | 28.4 | -73.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 2374 | Y | 26.9 | Very low | 26.9 | Very low | 182 Ų | 182 | 131.2 Ų | 131.2 | 71% | 0.714 | 64% | 0.641 | S | S | * | * | trans | 72.3 | 113.7 | 133.1 | -79.6 | -123.2 | 0 | 0 | 0 | 117.3 | ||||
| 2375 | Q | 26 | Very low | 27.2 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 60% | 0.598 | 65% | 0.647 | S | S | * | * | 82.6 | 136 | 88 | -81.8 | -161.6 | -29.5 | 0 | 0 | 111.7 | |||||
| 2376 | E | 25.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 134.2 Ų | 134.2 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | cis | -168.7 | 166.8 | -5.4 | -133.6 | 162.1 | -152.7 | 0 | 0 | 110.5 | ||||
| 2377 | H | 27.2 | Very low | 27.2 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 65% | 0.653 | 66% | 0.659 | S | S | * | * | trans | 52.6 | 164.5 | 157.1 | -61.7 | -66.9 | 0 | 0 | 0 | 118.1 | ||||
| 2378 | E | 27.2 | Very low | 27.2 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | cis | -139.8 | 134.1 | -37.1 | -111.9 | 169.8 | -172.4 | 0 | 0 | 105.7 | ||||
| 2379 | S | 25 | Very low | 27 | Very low | 75 Ų | 75 | 133.6 Ų | 133.6 | 52% | 0.524 | 66% | 0.663 | S | S | . | * | 60.5 | 158.4 | 89.8 | 104.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 2380 | H | 29.4 | Very low | 27.2 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 64% | 0.644 | 68% | 0.682 | S | S | * | * | trans | 69.5 | 136.9 | 160.1 | -71.1 | -11.4 | 0 | 0 | 0 | 116.5 | ||||
| 2381 | R | 28.9 | Very low | 27.3 | Very low | 173 Ų | 173 | 131 Ų | 131 | 65% | 0.653 | 68% | 0.683 | S | S | * | * | cis | -162.3 | 159.5 | 8.9 | -112.3 | 156.8 | -163 | -173.6 | 8.7 | 109.7 | ||||
| 2382 | K | 29.4 | Very low | 27.2 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | 35.4 | 137.4 | 134.2 | -59 | 168.9 | -175.8 | -179.8 | 0 | 117.9 | ||||
| 2383 | V | 32.7 | Very low | 27.3 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | cis | -166 | 150.7 | 12 | 111.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 2384 | G | 27.9 | Very low | 27.1 | Very low | 63 Ų | 63 | 131.2 Ų | 131.2 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | 60.3 | 159.3 | 82.2 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 2385 | P | 31.7 | Very low | 27 | Very low | 99 Ų | 99 | 130.4 Ų | 130.4 | 64% | 0.643 | 69% | 0.694 | S | S | * | * | cis | -139.2 | -160 | 2.1 | 36.7 | -13.7 | 0 | 0 | 0 | 113.1 | ||||
| 2386 | K | 26.8 | Very low | 26.9 | Very low | 163 Ų | 163 | 130.4 Ų | 130.4 | 71% | 0.709 | 70% | 0.698 | S | S | * | * | trans | 73.8 | 138.4 | 158.6 | -65.5 | 161.9 | -174.8 | 172.7 | 0 | 116.8 | ||||
| 2387 | F | 29.8 | Very low | 26.9 | Very low | 181 Ų | 181 | 131.6 Ų | 131.6 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | cis | -145.1 | 145.7 | -1.7 | -109.1 | -57 | 0 | 0 | 0 | 111 | ||||
| 2388 | S | 22.8 | Very low | 26.8 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | trans | -84.6 | 172.5 | 155.7 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2389 | P | 27.8 | Very low | 26.8 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | -131 | 134.7 | 90.4 | 35.7 | -27.4 | 0 | 0 | 0 | 114.1 | |||||
| 2390 | V | 28 | Very low | 26.9 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 88% | 0.879 | 71% | 0.705 | S | S | * | * | trans | -101.7 | 113.5 | 156.9 | 171 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 2391 | S | 24.5 | Very low | 26.7 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 71% | 0.713 | 71% | 0.706 | S | S | * | * | trans | -162.2 | 130.4 | 161.4 | 51 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 2392 | G | 24.8 | Very low | 26.6 | Very low | 69 Ų | 69 | 131.1 Ų | 131.1 | 71% | 0.711 | 71% | 0.708 | S | S | * | * | 80.5 | 122.3 | 60.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 2393 | R | 23.6 | Very low | 26.5 | Very low | 234 Ų | 234 | 127.3 Ų | 127.3 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | cis | -157 | -168.4 | 22.2 | -117.7 | 177.2 | 179.7 | 176.3 | -0.6 | 109.8 | ||||
| 2394 | C | 22.2 | Very low | 26.4 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | trans | 11.5 | 140.8 | 138 | -44.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2395 | Q | 25.5 | Very low | 26.4 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | cis | -154.9 | 156.2 | 21.9 | -120.4 | 134.6 | -17 | 0 | 0 | 107.8 | ||||
| 2396 | L | 24.3 | Very low | 26.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | 59.1 | 146.6 | 84.4 | -155 | 78.8 | 0 | 0 | 0 | 113.7 | |||||
| 2397 | E | 24.7 | Very low | 26 | Very low | 147 Ų | 147 | 132 Ų | 132 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | trans | 60.7 | 104.5 | -179.1 | -77.3 | 125 | -138.7 | 0 | 0 | 113.9 | ||||
| 2398 | E | 25.1 | Very low | 25.7 | Very low | 150 Ų | 150 | 128.5 Ų | 128.5 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | 67.3 | 150.6 | 73.2 | -72.1 | -167.6 | 148.4 | 0 | 0 | 112.7 | |||||
| 2399 | H | 28 | Very low | 25.8 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 57% | 0.574 | 70% | 0.702 | S | S | * | * | trans | 69.9 | 155.3 | 150.3 | -72.1 | -31.7 | 0 | 0 | 0 | 116.1 | ||||
| 2400 | R | 27.1 | Very low | 25.8 | Very low | 161 Ų | 161 | 131.4 Ų | 131.4 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | cis | -144 | 137.4 | -2.5 | -134 | 174.9 | 175.8 | 92.7 | 20.1 | 112.5 | ||||
| 2401 | E | 25.9 | Very low | 25.6 | Very low | 142 Ų | 142 | 131.7 Ų | 131.7 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | trans | 60.4 | 173.1 | 137.1 | -88.4 | 157.4 | -152.1 | 0 | 0 | 119.4 | ||||
| 2402 | A | 26.5 | Very low | 25.6 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 68% | 0.678 | 69% | 0.688 | S | S | * | * | trans | 37.1 | 126.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 2403 | C | 26.5 | Very low | 25.5 | Very low | 93 Ų | 93 | 138.8 Ų | 138.8 | 63% | 0.628 | 68% | 0.68 | S | S | * | * | cis | -179.1 | -175.7 | 12.1 | -117.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 2404 | Q | 30.3 | Very low | 25.5 | Very low | 153 Ų | 153 | 129.7 Ų | 129.7 | 72% | 0.715 | 65% | 0.653 | S | S | * | * | cis | -139.2 | 165.7 | 4.2 | -142.5 | 115.4 | 27.5 | 0 | 0 | 109.8 | ||||
| 2405 | N | 28 | Very low | 25.8 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 63% | 0.631 | 64% | 0.644 | S | S | * | * | trans | 22.7 | 124 | 137.3 | -61.3 | 2.7 | 0 | 0 | 0 | 117.7 | ||||
| 2406 | T | 28 | Very low | 26 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 63% | 0.627 | S | S | * | * | cis | -150.5 | 137.2 | 17.5 | 14.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2407 | F | 22.3 | Very low | 26.2 | Very low | 162 Ų | 162 | 123.2 Ų | 123.2 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | 64.2 | 150.9 | 50.8 | -139.1 | -79.2 | 0 | 0 | 0 | 111.1 | |||||
| 2408 | V | 24.6 | Very low | 26.5 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 66% | 0.661 | 62% | 0.618 | S | S | * | * | trans | 66.3 | 97.7 | -170.9 | -154.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2409 | K | 25 | Very low | 26.4 | Very low | 174 Ų | 174 | 119.2 Ų | 119.2 | 76% | 0.757 | 62% | 0.615 | S | S | * | * | 56.2 | -177.8 | 52 | -44.3 | -177.1 | 175.8 | -178.3 | 0 | 111.5 | |||||
| 2410 | P | 26.8 | Very low | 26.4 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | cis | -109.1 | -123.7 | -35.4 | 12.4 | 8.2 | 0 | 0 | 0 | 108.5 | ||||
| 2411 | H | 23.4 | Very low | 26.2 | Very low | 152 Ų | 152 | 120 Ų | 120 | 70% | 0.704 | 63% | 0.63 | S | S | * | * | 4.9 | 147.3 | 117.7 | -71.4 | -74.4 | 0 | 0 | 0 | 116.7 | |||||
| 2412 | R | 24.1 | Very low | 26.1 | Very low | 199 Ų | 199 | 120 Ų | 120 | 75% | 0.751 | 63% | 0.633 | S | S | * | * | cis | -155.3 | 168.7 | 33 | -139.9 | 159.6 | -177.5 | -174 | 5.4 | 110 | ||||
| 2413 | E | 23.7 | Very low | 26.2 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 56% | 0.561 | 64% | 0.641 | S | S | * | * | trans | 68.3 | 149 | 158.9 | -74 | 147 | -131.3 | 0 | 0 | 114.6 | ||||
| 2414 | S | 23.8 | Very low | 26.2 | Very low | 43 Ų | 43 | 128.9 Ų | 128.9 | 30% | 0.301 | 65% | 0.648 | S | S | . | * | cis | 76 | 124 | 40.6 | 115.4 | 0 | 0 | 0 | 0 | 108.5 | T2313 P2314 | T2313-S2414 WeakPolarHBondContact O-CB 3.43Å; T2313-S2414 VanDerWaalsContact OG1-CA 3.23Å; T2313-S2414 WeakPolarHBondContact OG1-CA 3.22Å; P2314-S2414 VanDerWaalsContact CB-N 3.3Å | ||
| 2415 | I | 28.4 | Very low | 26 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 42% | 0.421 | 65% | 0.653 | S | S | . | * | cis | -148.2 | 174.2 | 37.3 | -101.3 | 148.3 | 0 | 0 | 0 | 109.2 | L2311 P2312 T2313 | L2311-I2415 VanDerWaalsContact CA-CG2 3.43Å; L2311-I2415 HydrophobicContact CB-CB 4.38Å; L2311-I2415 HydrophobicContact CB-CG2 3.09Å; L2311-I2415 HydrophobicContact CD2-CB 3.89Å; L2311-I2415 HydrophobicContact CD2-CG2 3.21Å; L2311-I2415 HydrophobicContact CG-CB 4.26Å; L2311-I2415 HydrophobicContact CG-CG2 3.35Å; L2311-I2415 WeakPolarHBondContact O-CG2 3.26Å; P2312-I2415 HydrophobicContact CB-CB 4.49Å; P2312-I2415 HydrophobicContact CB-CG1 3.89Å; P2312-I2415 HydrophobicContact CB-CG2 4.29Å; T2313-I2415 VanDerWaalsContact N-C 3.26Å; T2313-I2415 VanDerWaalsContact N-CA 3.26Å; T2313-I2415 WeakPolarHBondContact OG1-CA 3.23Å; T2313-I2415 PolarHBondContact OG1-N 3.03Å; T2313-I2415 VanDerWaalsContact OG1-N 3.07Å; T2313-I2415 PolarHBondContact OG1-O 3.2Å | ||
| 2416 | K | 29 | Very low | 26 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 41% | 0.413 | 66% | 0.659 | S | S | . | * | trans | -93.6 | -115.6 | -159.2 | -155.4 | 176.1 | -71 | 138.5 | 0 | 117.9 | L2311 P2312 T2313 L2418 | L2311-K2416 VanDerWaalsContact CD1-O 3.3Å; L2311-K2416 WeakPolarHBondContact CD1-O 3.43Å; L2311-K2416 VanDerWaalsContact CG-O 3.31Å; L2311-K2416 WeakPolarHBondContact CG-O 3.27Å; P2312-K2416 WeakPolarHBondContact O-CB 3.47Å; P2312-K2416 WeakPolarHBondContact O-CE 3.32Å; P2312-K2416 PolarHBondContact O-NZ 3.45Å; T2313-K2416 HydrophobicContact CG2-CB 3.73Å; T2313-K2416 HydrophobicContact CG2-CD 4.38Å; T2313-K2416 HydrophobicContact CG2-CG 3.8Å; K2416-L2418 HydrophobicContact CD-CB 3.68Å; K2416-L2418 HydrophobicContact CD-CD2 4.38Å; K2416-L2418 HydrophobicContact CG-CB 4.25Å | ||
| 2417 | P | 29.6 | Very low | 26.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 46% | 0.461 | 65% | 0.648 | S | S | . | * | cis | -94 | -178 | -19 | 29.3 | -11.7 | 0 | 0 | 0 | 112.4 | ||||
| 2418 | L | 30.1 | Very low | 26.4 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | cis | 70.2 | 111.3 | -9.3 | -168.9 | 90.3 | 0 | 0 | 0 | 120.7 | K2416 | K2416-L2418 HydrophobicContact CD-CB 3.68Å; K2416-L2418 HydrophobicContact CD-CD2 4.38Å; K2416-L2418 HydrophobicContact CG-CB 4.25Å | ||
| 2419 | A | 24.4 | Very low | 26.4 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | trans | 67.6 | 152.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2420 | K | 26.1 | Very low | 26.5 | Very low | 195 Ų | 195 | 124.6 Ų | 124.6 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | cis | -114.6 | 144.2 | -0.2 | -58.7 | 167.9 | -176.4 | 173 | 0 | 107.9 | ||||
| 2421 | T | 24.3 | Very low | 26.5 | Very low | 106 Ų | 106 | 125.8 Ų | 125.8 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | cis | 65.4 | 121.1 | 48.2 | -34.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2422 | I | 23.8 | Very low | 26.8 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | trans | 62.2 | 123.9 | 178.1 | -24.4 | -177.8 | 0 | 0 | 0 | 113 | ||||
| 2423 | K | 27.8 | Very low | 27.1 | Very low | 193 Ų | 193 | 120.5 Ų | 120.5 | 84% | 0.839 | 64% | 0.643 | S | S | * | * | cis | -128 | 139.2 | 24.7 | -60.6 | 159.4 | -174.7 | 174.8 | 0 | 108 | ||||
| 2424 | Q | 27.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 119.8 Ų | 119.8 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | cis | 51.4 | 90.3 | 18 | -153.6 | -167.6 | 39.5 | 0 | 0 | 114.3 | ||||
| 2425 | K | 25.9 | Very low | 28.1 | Very low | 189 Ų | 189 | 123.5 Ų | 123.5 | 82% | 0.822 | 67% | 0.67 | S | S | * | * | trans | 170.6 | 136.7 | 145.2 | -93.5 | 178.1 | 178 | -169.8 | 0 | 107.4 | ||||
| 2426 | L | 27.2 | Very low | 28.1 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | cis | -153.5 | 150.3 | -11.1 | -126.5 | 165.7 | 0 | 0 | 0 | 109.8 | ||||
| 2427 | S | 30.9 | Very low | 28.1 | Very low | 70 Ų | 70 | 124.1 Ų | 124.1 | 49% | 0.49 | 70% | 0.701 | S | S | . | * | trans | -67.3 | 162.8 | 157.1 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2428 | P | 27.9 | Very low | 28 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | -101.4 | 141.7 | 80 | -18.5 | 35.3 | 0 | 0 | 0 | 111.8 | |||||
| 2429 | T | 24.6 | Very low | 27.9 | Very low | 102 Ų | 102 | 127 Ų | 127 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | cis | 65.6 | 164.8 | 45.4 | 73 | 0 | 0 | 0 | 0 | 114 | ||||
| 2430 | N | 26.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | trans | 80.2 | 124.4 | 178.5 | -57.9 | 65.6 | 0 | 0 | 0 | 113.8 | ||||
| 2431 | D | 27.3 | Very low | 27.8 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 65% | 0.647 | 71% | 0.714 | S | S | * | * | cis | -154.9 | 158.3 | 1.7 | -111.1 | -29.1 | 0 | 0 | 0 | 117.1 | ||||
| 2432 | L | 29.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 126.7 Ų | 126.7 | 74% | 0.743 | 72% | 0.717 | S | S | * | * | trans | 55.8 | 103.1 | 149.2 | -64.4 | 166 | 0 | 0 | 0 | 120.5 | ||||
| 2433 | S | 31.6 | Very low | 27.7 | Very low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 72% | 0.717 | S | S | * | * | -70.3 | 147.1 | 128.1 | 53.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 2434 | P | 30.6 | Very low | 27.5 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | -130.2 | 156.3 | 122.8 | 34.7 | -26.6 | 0 | 0 | 0 | 111.4 | |||||
| 2435 | T | 38.4 | Very low | 27.3 | Very low | 121 Ų | 121 | 118.7 Ų | 118.7 | 74% | 0.742 | 71% | 0.706 | S | S | * | * | cis | 38.3 | 106.5 | 3.9 | 50 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2436 | P | 26.8 | Very low | 27.2 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 83% | 0.825 | 71% | 0.706 | S | S | * | * | -105.6 | 177.7 | 57.5 | 38.3 | -36.9 | 0 | 0 | 0 | 111.7 | |||||
| 2437 | G | 28.7 | Very low | 26.9 | Very low | 64 Ų | 64 | 115.5 Ų | 115.5 | 66% | 0.66 | 70% | 0.697 | S | S | * | * | cis | 153.6 | 169.4 | 23.9 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 2438 | L | 28.2 | Very low | 26.6 | Very low | 145 Ų | 145 | 117.9 Ų | 117.9 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | cis | -133 | 157.2 | 2.8 | -61.7 | 132.4 | 0 | 0 | 0 | 105.6 | Y2440 | L2438-Y2440 HydrophobicContact CD2-CD2 3.74Å; L2438-Y2440 HydrophobicContact CD2-CE2 4.21Å | ||
| 2439 | V | 27.2 | Very low | 26.4 | Very low | 125 Ų | 125 | 117.1 Ų | 117.1 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | cis | 55.9 | 57.4 | 2 | -160.5 | 0 | 0 | 0 | 0 | 115 | T2441 | V2439-T2441 HydrophobicContact CG1-CG2 4.45Š| ||
| 2440 | Y | 26.2 | Very low | 26.4 | Very low | 196 Ų | 196 | 120.3 Ų | 120.3 | 77% | 0.769 | 71% | 0.712 | S | S | * | * | -125.5 | 124.1 | 124.6 | -96.1 | -105.7 | 0 | 0 | 0 | 104.2 | L2438 | L2438-Y2440 HydrophobicContact CD2-CD2 3.74Å; L2438-Y2440 HydrophobicContact CD2-CE2 4.21Å | |||
| 2441 | T | 23.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 63% | 0.632 | 71% | 0.713 | S | S | * | * | cis | 70 | 122.3 | 45.9 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | V2439 | V2439-T2441 HydrophobicContact CG1-CG2 4.45Š| ||
| 2442 | G | 23.9 | Very low | 26.2 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | 76.4 | 172.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2443 | S | 22.9 | Very low | 26 | Very low | 107 Ų | 107 | 116.1 Ų | 116.1 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | cis | -154.7 | 132.2 | -9.2 | -104.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 2444 | V | 22.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 116.1 Ų | 116.1 | 72% | 0.721 | 68% | 0.683 | S | S | * | * | 67.6 | 110.3 | 85.7 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2445 | V | 22.6 | Very low | 25.8 | Very low | 110 Ų | 110 | 114.7 Ų | 114.7 | 67% | 0.667 | 67% | 0.669 | S | S | * | * | trans | 73.5 | 168.3 | 158.4 | 174.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 2446 | F | 24.8 | Very low | 25.2 | Very low | 184 Ų | 184 | 114.2 Ų | 114.2 | 81% | 0.807 | 67% | 0.666 | S | S | * | * | trans | 79 | 106.7 | -172.9 | -54.4 | -72.3 | 0 | 0 | 0 | 113 | ||||
| 2447 | S | 21.3 | Very low | 25.3 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 57% | 0.573 | 66% | 0.66 | S | S | * | * | cis | 59.2 | 119.4 | 18 | -38.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2448 | P | 24.4 | Very low | 25.2 | Very low | 119 Ų | 119 | 116.5 Ų | 116.5 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | -115.8 | 154.6 | 68.1 | 43.2 | -39.6 | 0 | 0 | 0 | 110.7 | |||||
| 2449 | T | 22.7 | Very low | 25.3 | Very low | 101 Ų | 101 | 110.3 Ų | 110.3 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | cis | 62.6 | 137.1 | 36.6 | 66.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2450 | Q | 25 | Very low | 25.3 | Very low | 168 Ų | 168 | 107.4 Ų | 107.4 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | trans | 65.2 | 147.9 | 174.6 | -62.5 | 161.8 | -19.7 | 0 | 0 | 114 | ||||
| 2451 | Q | 25 | Very low | 25.4 | Very low | 142 Ų | 142 | 101.8 Ų | 101.8 | 66% | 0.664 | 59% | 0.585 | S | S | * | * | cis | -142.9 | 129.8 | -17.2 | -105.8 | 160.8 | -85.1 | 0 | 0 | 104.6 | ||||
| 2452 | S | 24.5 | Very low | 25.6 | Very low | 65 Ų | 65 | 99.2 Ų | 99.2 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | 36.1 | 111.2 | 98 | 74.3 | 0 | 0 | 0 | 0 | 114.2 | K2192 | K2192-S2452 WeakPolarHBondContact O-CA 3.18Š| |||
| 2453 | D | 26.6 | Very low | 25.8 | Very low | 89 Ų | 89 | 96.4 Ų | 96.4 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | trans | 146.9 | 151.4 | 134.1 | -79.5 | 0.6 | 0 | 0 | 0 | 111.7 | K2192 G2193 I2194 | K2192-D2453 PolarHBondContact O-N 3.17Å; G2193-D2453 WeakPolarHBondContact CA-O 2.9Å; I2194-D2453 VanDerWaalsContact CB-O 3.24Å; I2194-D2453 WeakPolarHBondContact CB-O 3.37Å; I2194-D2453 WeakPolarHBondContact CG1-O 3.29Å | ||
| 2454 | L | 28.3 | Very low | 26 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | cis | -158.5 | 119.4 | -30.9 | -158.2 | 81.7 | 0 | 0 | 0 | 108.5 | ||||
| 2455 | N | 27.8 | Very low | 26.3 | Very low | 76 Ų | 76 | 91.6 Ų | 91.6 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | trans | 64.2 | -174.9 | 163.8 | -52.5 | -25.2 | 0 | 0 | 0 | 114.5 | K2192 I2194 | K2192-N2455 WeakPolarHBondContact CE-OD1 3.29Å; K2192-N2455 PolarHBondContact NZ-OD1 2.91Å; I2194-N2455 WeakPolarHBondContact CD1-O 3.25Å | ||
| 2456 | T | 27.1 | Very low | 26.6 | Very low | 110 Ų | 110 | 89.6 Ų | 89.6 | 68% | 0.675 | 49% | 0.49 | S | S | * | . | cis | -145.7 | 155.1 | 1.8 | -26.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 2457 | I | 27.4 | Very low | 26.9 | Very low | 135 Ų | 135 | 85.6 Ų | 85.6 | 69% | 0.692 | 47% | 0.474 | S | S | * | . | trans | 54.6 | 90.4 | 154.2 | -73 | 165 | 0 | 0 | 0 | 113.8 | ||||
| 2458 | N | 27.6 | Very low | 27.3 | Very low | 105 Ų | 105 | 87.1 Ų | 87.1 | 56% | 0.561 | 47% | 0.47 | S | S | * | . | 88 | 143 | 86.2 | -77.2 | -1.9 | 0 | 0 | 0 | 111.3 | |||||
| 2459 | S | 29.4 | Very low | 27.6 | Very low | 14 Ų | 14 | 82.4 Ų | 82.4 | 10% | 0.098 | 44% | 0.44 | C | S | . | . | cis | -153 | 131.9 | -6.8 | 23.7 | 0 | 0 | 0 | 0 | 109.9 | C1608 Q1610 | C1608-S2459 PolarHBondContact SG-OG 3.12Å; Q1610-S2459 VanDerWaalsContact CD-OG 3.27Å; Q1610-S2459 PolarHBondContact N-O 3.34Å; Q1610-S2459 VanDerWaalsContact NE2-CB 3.25Å; Q1610-S2459 VanDerWaalsContact OE1-CB 3.3Å; Q1610-S2459 PolarHBondContact OE1-OG 2.66Å | ||
| 2460 | N | 27.9 | Very low | 28 | Very low | 64 Ų | 64 | 85.4 Ų | 85.4 | 34% | 0.342 | 44% | 0.444 | S | S | . | . | 59.6 | -175 | 90.1 | -38.5 | -2.9 | 0 | 0 | 0 | 111.5 | Q1610 | Q1610-N2460 VanDerWaalsContact CA-O 3.23Å; Q1610-N2460 WeakPolarHBondContact CA-O 3.41Å; Q1610-N2460 HydrophobicContact CG-CB 4.17Å; Q1610-N2460 PolarHBondContact N-O 3.35Å | |||
| 2461 | H | 28 | Very low | 28.3 | Very low | 79 Ų | 79 | 80.2 Ų | 80.2 | 37% | 0.366 | 43% | 0.43 | S | S | . | . | cis | -140.6 | 120 | -15.1 | -109.2 | -42.4 | 0 | 0 | 0 | 103.2 | Q1610 P1611 | Q1610-H2461 HydrophobicContact CG-CB 4.05Å; Q1610-H2461 PolarHBondContact NE2-CD2 2.72Å; P1611-H2461 VanDerWaalsContact CA-O 3.31Å; P1611-H2461 WeakPolarHBondContact CA-O 3.32Å; P1611-H2461 HydrophobicContact CB-CB 3.58Å; P1611-H2461 WeakPolarHBondContact CB-O 3.41Å | ||
| 2462 | T | 28.2 | Very low | 28.4 | Very low | 49 Ų | 49 | 81.8 Ų | 81.8 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | 65.1 | -172 | 88.1 | 78.1 | 0 | 0 | 0 | 0 | 113.2 | N1153 P1612 D1613 | N1153-T2462 CarbonylContact O-C 3.57Å; P1612-T2462 CarbonylContact C-O 3.47Å; D1613-T2462 PolarHBondContact N-O 3.27Å | |||
| 2463 | S | 27 | Very low | 28.6 | Very low | 10 Ų | 10 | 82.3 Ų | 82.3 | 7% | 0.07 | 43% | 0.427 | C | S | . | . | cis | -140 | 162.4 | 30 | -44.1 | 0 | 0 | 0 | 0 | 113.9 | N1153 D1613 L1614 C1615 | N1153-S2463 CarbonylContact C-O 3.4Å; N1153-S2463 WeakPolarHBondContact CA-O 3.09Å; N1153-S2463 PolarHBondContact N-O 2.74Å; N1153-S2463 CarbonylContact O-C 3.38Å; N1153-S2463 WeakPolarHBondContact O-CA 3.49Å; N1153-S2463 PolarHBondContact O-N 3.26Å; N1153-S2463 VanDerWaalsContact O-N 3.15Å; D1613-S2463 WeakPolarHBondContact OD1-CB 3.48Å; D1613-S2463 PolarHBondContact OD1-OG 2.99Å; L1614-S2463 CarbonylContact C-O 2.98Å; L1614-S2463 WeakPolarHBondContact CA-O 3.29Å; L1614-S2463 PolarHBondContact N-O 3.36Å; C1615-S2463 PolarHBondContact N-O 3.35Å | ||
| 2464 | V | 27 | Very low | 28.9 | Very low | 74 Ų | 74 | 84.8 Ų | 84.8 | 45% | 0.448 | 43% | 0.429 | S | S | . | . | 77.2 | -100.6 | 102.7 | 179.2 | 0 | 0 | 0 | 0 | 120.1 | L1614 C1615 M1616 N2466 | L1614-V2464 HydrophobicContact CD2-CB 3.88Å; L1614-V2464 HydrophobicContact CD2-CG1 3.88Å; C1615-V2464 CarbonylContact C-O 3.55Å; C1615-V2464 WeakPolarHBondContact CA-O 2.98Å; C1615-V2464 PolarHBondContact N-O 2.96Å; C1615-V2464 PolarHBondContact O-N 3.27Å; M1616-V2464 WeakPolarHBondContact CB-O 2.98Å; M1616-V2464 PolarHBondContact N-O 3.12Å; V2464-N2466 WeakPolarHBondContact CG1-OD1 3.06Å; V2464-N2466 PolarHBondContact O-N 2.89Å; V2464-N2466 VanDerWaalsContact O-N 3.13Å | |||
| 2465 | V | 28.7 | Very low | 29.2 | Very low | 50 Ų | 50 | 86 Ų | 86 | 30% | 0.303 | 43% | 0.432 | S | S | . | . | trans | 0.9 | 85.2 | -159.4 | 136.5 | 0 | 0 | 0 | 0 | 115.7 | L1614 M1616 | L1614-V2465 VanDerWaalsContact C-CB 3.49Å; L1614-V2465 VanDerWaalsContact C-N 3.29Å; L1614-V2465 VanDerWaalsContact CA-N 3.26Å; L1614-V2465 HydrophobicContact CB-CB 3.62Å; L1614-V2465 HydrophobicContact CB-CG2 3.58Å; L1614-V2465 HydrophobicContact CD1-CG2 4.05Å; L1614-V2465 HydrophobicContact CD2-CB 4.31Å; L1614-V2465 HydrophobicContact CD2-CG2 3.95Å; L1614-V2465 HydrophobicContact CG-CB 4.41Å; L1614-V2465 HydrophobicContact CG-CG2 3.99Å; L1614-V2465 WeakPolarHBondContact O-CB 3.29Å; M1616-V2465 WeakPolarHBondContact CB-O 3.45Å | ||
| 2466 | N | 30 | Very low | 29.2 | Very low | 68 Ų | 68 | 85 Ų | 85 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | 43.9 | 124.1 | 103.2 | -59.5 | 5.6 | 0 | 0 | 0 | 115.3 | V2464 | V2464-N2466 WeakPolarHBondContact CG1-OD1 3.06Å; V2464-N2466 PolarHBondContact O-N 2.89Å; V2464-N2466 VanDerWaalsContact O-N 3.13Å | |||
| 2467 | E | 30.9 | Very low | 29 | Very low | 100 Ų | 100 | 84.5 Ų | 84.5 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | cis | 165.3 | 163 | 31.9 | -111.6 | 164 | 176.3 | 0 | 0 | 105.9 | ||||
| 2468 | K | 30.7 | Very low | 28.9 | Very low | 115 Ų | 115 | 81.6 Ų | 81.6 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | cis | -162.5 | 135.2 | -34.6 | -117.9 | 176.9 | -145.9 | 150.4 | 0 | 107.2 | Q1273 | Q1273-K2468 VanDerWaalsContact CD-O 3.3Å; Q1273-K2468 PolarHBondContact NE2-O 2.88Å; Q1273-K2468 PolarHBondContact OE1-O 2.78Å | ||
| 2469 | S | 29.5 | Very low | 28.6 | Very low | 19 Ų | 19 | 87.3 Ų | 87.3 | 13% | 0.133 | 43% | 0.425 | C | S | . | . | trans | -162.9 | 140.8 | 143.9 | -13 | 0 | 0 | 0 | 0 | 106.8 | N1271 N1272 Q1273 | N1271-S2469 WeakPolarHBondContact CB-O 3.37Å; N1272-S2469 WeakPolarHBondContact CB-OG 3.16Å; Q1273-S2469 WeakPolarHBondContact CG-OG 3.37Å; Q1273-S2469 PolarHBondContact NE2-OG 2.7Å | ||
| 2470 | K | 31.3 | Very low | 28.2 | Very low | 165 Ų | 165 | 93 Ų | 93 | 72% | 0.717 | 45% | 0.454 | S | S | * | . | cis | 61.9 | 134.9 | 46.8 | -54.8 | 176.9 | 178.2 | -178.3 | 0 | 112.6 | N1271 N1272 | N1271-K2470 VanDerWaalsContact CG-C 3.44Å; N1271-K2470 VanDerWaalsContact CG-O 3.26Å; N1271-K2470 PolarHBondContact OD1-O 2.99Å; N1272-K2470 PolarHBondContact ND2-O 2.98Å | ||
| 2471 | A | 30.6 | Very low | 28 | Very low | 59 Ų | 59 | 96.7 Ų | 96.7 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | cis | 177 | 153.9 | -20.6 | 0 | 0 | 0 | 0 | 0 | 106 | N1271 | N1271-A2471 PolarHBondContact ND2-N 2.96Š| ||
| 2472 | Y | 27.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 98.5 Ų | 98.5 | 68% | 0.682 | 49% | 0.491 | S | S | * | . | trans | 175.3 | 116 | 135.5 | -120.5 | -93.5 | 0 | 0 | 0 | 116.5 | T2185 | T2185-Y2472 WeakPolarHBondContact CG2-O 3.37Å; T2185-Y2472 VanDerWaalsContact OG1-C 3.3Å; T2185-Y2472 PolarHBondContact OG1-O 2.96Å | ||
| 2473 | E | 29.5 | Very low | 27.4 | Very low | 77 Ų | 77 | 103.1 Ų | 103.1 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | trans | 40.1 | 175 | 142.8 | -154.1 | 145.3 | -155.5 | 0 | 0 | 122.4 | L2184 T2185 | L2184-E2473 CarbonylContact C-O 3.16Å; L2184-E2473 WeakPolarHBondContact CB-O 3.2Å; L2184-E2473 VanDerWaalsContact CD2-O 3.27Å; L2184-E2473 WeakPolarHBondContact CD2-O 3.48Å; T2185-E2473 WeakPolarHBondContact CB-O 3.46Å; T2185-E2473 PolarHBondContact N-O 2.81Å; T2185-E2473 VanDerWaalsContact OG1-C 3.28Å; T2185-E2473 WeakPolarHBondContact OG1-CA 3.48Å; T2185-E2473 PolarHBondContact OG1-N 3.02Å; T2185-E2473 VanDerWaalsContact OG1-N 3.07Å; T2185-E2473 PolarHBondContact OG1-O 3.46Å | ||
| 2474 | R | 33.6 | Very low | 27.3 | Very low | 140 Ų | 140 | 109 Ų | 109 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | trans | -116.1 | 168.5 | -159.5 | 14.9 | 77.5 | 167.2 | 156.7 | 6.3 | 116.8 | T2185 | T2185-R2474 VanDerWaalsContact O-CB 3.3Å; T2185-R2474 WeakPolarHBondContact O-CB 3.19Å | ||
| 2475 | Q | 34 | Very low | 27.3 | Very low | 122 Ų | 122 | 116 Ų | 116 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | trans | 70.8 | 133 | 162.3 | -61.6 | 145 | -22.1 | 0 | 0 | 121.2 | N2183 | N2183-Q2475 WeakPolarHBondContact CB-O 3.47Å; N2183-Q2475 CarbonylContact O-C 3.59Å | ||
| 2476 | S | 28 | Very low | 27.1 | Very low | 56 Ų | 56 | 121.1 Ų | 121.1 | 39% | 0.392 | 59% | 0.586 | S | S | . | * | trans | 61.8 | 165.4 | 131.2 | 75.3 | 0 | 0 | 0 | 0 | 122.4 | E2182 N2183 | E2182-S2476 WeakPolarHBondContact O-CA 3.23Å; E2182-S2476 PolarHBondContact O-N 2.75Å; N2183-S2476 PolarHBondContact ND2-O 2.9Å; N2183-S2476 VanDerWaalsContact ND2-O 3.15Å; N2183-S2476 PolarHBondContact O-N 2.96Å | ||
| 2477 | E | 22.6 | Very low | 27.1 | Very low | 100 Ų | 100 | 121.6 Ų | 121.6 | 47% | 0.467 | 61% | 0.607 | S | S | . | * | trans | -24.8 | 169.2 | 134.6 | -32 | -163.6 | 83.7 | 0 | 0 | 116.8 | N2181 | N2181-E2477 HydrophobicContact CB-CB 4.13Å; N2181-E2477 HydrophobicContact CB-CG 3.92Å; N2181-E2477 WeakPolarHBondContact ND2-CG 2.97Å; N2181-E2477 PolarHBondContact ND2-OE1 2.91Å | ||
| 2478 | P | 25.6 | Very low | 26.9 | Very low | 74 Ų | 74 | 121.9 Ų | 121.9 | 48% | 0.481 | 62% | 0.62 | S | S | . | * | -138.8 | 176.5 | -57.6 | 41.1 | -25.4 | 0 | 0 | 0 | 111.4 | |||||
| 2479 | R | 21.5 | Very low | 26.7 | Very low | 225 Ų | 225 | 124.1 Ų | 124.1 | 85% | 0.849 | 63% | 0.634 | S | S | * | * | trans | 66.5 | 159.2 | 163.5 | -51.6 | 167.1 | 178.7 | 175.6 | -0.9 | 117.5 | ||||
| 2480 | N | 20.9 | Very low | 26.6 | Very low | 133 Ų | 133 | 131.2 Ų | 131.2 | 71% | 0.711 | 67% | 0.665 | S | S | * | * | trans | 33.6 | 108.6 | 140.5 | -59.2 | -1 | 0 | 0 | 0 | 121.5 | ||||
| 2481 | I | 22.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 127 Ų | 127 | 73% | 0.728 | 66% | 0.655 | S | S | * | * | 52.4 | 107 | 114 | -53.8 | 154 | 0 | 0 | 0 | 118.4 | |||||
| 2482 | P | 21.4 | Very low | 26.4 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 76% | 0.76 | 66% | 0.659 | S | S | * | * | trans | -87.8 | 140.5 | 134 | 34.2 | -28.7 | 0 | 0 | 0 | 109.8 | ||||
| 2483 | I | 22.2 | Very low | 26.5 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 75% | 0.749 | 65% | 0.652 | S | S | * | * | cis | -153.9 | 166.4 | 0.6 | -38.3 | 173.9 | 0 | 0 | 0 | 108.4 | ||||
| 2484 | I | 25 | Very low | 26.3 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 68% | 0.677 | 65% | 0.649 | S | S | * | * | trans | 91.3 | 116.7 | 156.9 | -57 | 172.1 | 0 | 0 | 0 | 118.4 | ||||
| 2485 | R | 26.4 | Very low | 26 | Very low | 222 Ų | 222 | 122 Ų | 122 | 84% | 0.838 | 65% | 0.648 | S | S | * | * | trans | 63.6 | 146.2 | 161.3 | -70.6 | 165.5 | -172.9 | 166.3 | 1.2 | 117.6 | ||||
| 2486 | N | 26.2 | Very low | 25.6 | Very low | 157 Ų | 157 | 124.3 Ų | 124.3 | 84% | 0.84 | 66% | 0.656 | S | S | * | * | cis | 172.6 | 126 | -25.5 | -105.3 | 11.3 | 0 | 0 | 0 | 105 | ||||
| 2487 | G | 28.5 | Very low | 25.5 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 67% | 0.67 | S | S | * | * | trans | 103.5 | 135.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2488 | S | 26.4 | Very low | 25.6 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 68% | 0.681 | S | S | * | * | trans | 47.4 | 123.1 | 146.5 | -77.8 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 2489 | M | 27.9 | Very low | 25.6 | Very low | 161 Ų | 161 | 131.9 Ų | 131.9 | 79% | 0.793 | 69% | 0.688 | S | S | * | * | 67.3 | 125.6 | 124 | -59.8 | 175.1 | 80 | 0 | 0 | 120.6 | |||||
| 2490 | E | 26 | Very low | 25.8 | Very low | 168 Ų | 168 | 126.3 Ų | 126.3 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | 17.1 | 155.5 | 115.2 | -80 | -165.2 | 148.1 | 0 | 0 | 121.1 | |||||
| 2491 | P | 32.7 | Very low | 26.3 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 51% | 0.506 | 69% | 0.685 | S | S | . | * | cis | -135.2 | -148 | -18.7 | 30.5 | -6.6 | 0 | 0 | 0 | 111.3 | K2334 | K2334-P2491 PolarHBondContact NZ-O 2.59Š| ||
| 2492 | D | 26.8 | Very low | 26.4 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | trans | 56.3 | 166.1 | 131.7 | -73.2 | 2.8 | 0 | 0 | 0 | 122.7 | K2334 | K2334-D2492 PolarHBondContact NZ-O 2.78Š| ||
| 2493 | D | 29 | Very low | 26.7 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 54% | 0.535 | 68% | 0.679 | S | S | . | * | cis | -157.7 | 149.7 | -38.5 | 177.8 | 38.6 | 0 | 0 | 0 | 109.4 | ||||
| 2494 | S | 25.8 | Very low | 27 | Very low | 42 Ų | 42 | 130.6 Ų | 130.6 | 29% | 0.294 | 67% | 0.672 | S | S | . | * | trans | 48.5 | -144.3 | 151.2 | 73.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 2495 | N | 25.9 | Very low | 26.9 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 51% | 0.508 | 68% | 0.675 | S | S | . | * | trans | 36.8 | 81 | 165 | -62.6 | -31.7 | 0 | 0 | 0 | 117.3 | ||||
| 2496 | K | 25.4 | Very low | 27 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 74% | 0.739 | 68% | 0.676 | S | S | * | * | 71.3 | -171.7 | 77.9 | -66.5 | 178.8 | -170.9 | 96 | 0 | 110 | |||||
| 2497 | K | 26.9 | Very low | 26.9 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | trans | 69.1 | 101 | 144.9 | -80.8 | -179.2 | 176 | -178.8 | 0 | 115.4 | ||||
| 2498 | N | 25 | Very low | 26.7 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | 85.8 | 143.7 | 112.2 | -74 | 20.3 | 0 | 0 | 0 | 117.4 | |||||
| 2499 | T | 25.2 | Very low | 26.8 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 61% | 0.613 | 67% | 0.672 | S | S | * | * | cis | -160.5 | 162.3 | -16.5 | 11.4 | 0 | 0 | 0 | 0 | 109.4 | L2501 | T2499-L2501 PolarHBondContact O-N 2.88Š| ||
| 2500 | T | 25.4 | Very low | 27 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 66% | 0.656 | 65% | 0.651 | S | S | * | * | trans | 11.3 | 104.2 | 146.2 | 64.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 2501 | L | 31.9 | Very low | 27.1 | Very low | 163 Ų | 163 | 123 Ų | 123 | 85% | 0.853 | 64% | 0.642 | S | S | * | * | -116.7 | 105.4 | 121.9 | -65.4 | 173.9 | 0 | 0 | 0 | 104.5 | T2499 | T2499-L2501 PolarHBondContact O-N 2.88Š| |||
| 2502 | R | 25.2 | Very low | 26.8 | Very low | 199 Ų | 199 | 125.3 Ų | 125.3 | 75% | 0.751 | 65% | 0.65 | S | S | * | * | 59.2 | 126.1 | 81 | -71.6 | -175 | 159.7 | -178.6 | -3.9 | 110.2 | |||||
| 2503 | K | 27.1 | Very low | 27 | Very low | 137 Ų | 137 | 123.1 Ų | 123.1 | 60% | 0.596 | 65% | 0.652 | S | S | * | * | cis | -160.3 | -175 | 10.9 | -113.1 | 161.7 | 144.7 | -94.6 | 0 | 108.8 | ||||
| 2504 | E | 27.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | 13.2 | 137 | 152.4 | -66.8 | 112.4 | -131.2 | 0 | 0 | 118.4 | ||||
| 2505 | N | 24.6 | Very low | 26.9 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | cis | 167.2 | 166.2 | 9.1 | -99.9 | -24.6 | 0 | 0 | 0 | 105.4 | ||||
| 2506 | I | 27.2 | Very low | 26.9 | Very low | 170 Ų | 170 | 127.3 Ų | 127.3 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | trans | 71.8 | 164.7 | 162 | -62.2 | 151.8 | 0 | 0 | 0 | 115.8 | ||||
| 2507 | S | 24 | Very low | 26.9 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | trans | -103.4 | 148.6 | -159.9 | 53.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2508 | T | 24.5 | Very low | 26.8 | Very low | 136 Ų | 136 | 121.3 Ų | 121.3 | 83% | 0.834 | 65% | 0.65 | S | S | * | * | trans | -175.6 | 170.1 | 140.2 | -75.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2509 | I | 29.5 | Very low | 27 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 79% | 0.79 | 66% | 0.661 | S | S | * | * | trans | -79.1 | -162.2 | 171.9 | 4.9 | 175.5 | 0 | 0 | 0 | 110.3 | ||||
| 2510 | P | 31.1 | Very low | 27.1 | Very low | 53 Ų | 53 | 125.1 Ų | 125.1 | 34% | 0.344 | 66% | 0.664 | S | S | . | * | cis | -138.3 | 177.6 | 0.9 | 27.5 | -0.9 | 0 | 0 | 0 | 118.6 | ||||
| 2511 | L | 27.6 | Very low | 27.2 | Very low | 116 Ų | 116 | 126 Ų | 126 | 61% | 0.607 | 66% | 0.664 | S | S | * | * | trans | 62.8 | 137.8 | 141.6 | -73.1 | 166.2 | 0 | 0 | 0 | 126.3 | ||||
| 2512 | I | 28.1 | Very low | 27 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | trans | 71.3 | 137.3 | 142.7 | -66.4 | 162.6 | 0 | 0 | 0 | 120.7 | ||||
| 2513 | G | 29.8 | Very low | 27.1 | Very low | 61 Ų | 61 | 119.5 Ų | 119.5 | 63% | 0.629 | 65% | 0.648 | S | S | * | * | trans | 133.5 | 55.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2514 | T | 27.4 | Very low | 27.1 | Very low | 112 Ų | 112 | 118.4 Ų | 118.4 | 69% | 0.687 | 65% | 0.651 | S | S | * | * | 59.9 | 112.5 | 92.8 | 63.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 2515 | D | 25.2 | Very low | 27 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 42% | 0.417 | 65% | 0.654 | S | S | . | * | 99.8 | 128.3 | 124.2 | -76.8 | 31.8 | 0 | 0 | 0 | 123.7 | S1778 P1779 | S1778-D2515 WeakPolarHBondContact CB-OD2 3.11Å; P1779-D2515 VanDerWaalsContact CD-CG 3.5Å; P1779-D2515 WeakPolarHBondContact CD-OD1 3.4Å; P1779-D2515 VanDerWaalsContact CD-OD2 3.23Å; P1779-D2515 WeakPolarHBondContact CD-OD2 3.37Å; P1779-D2515 WeakPolarHBondContact CG-OD1 3.26Å; P1779-D2515 WeakPolarHBondContact CG-OD2 3.12Å | |||
| 2516 | H | 26.2 | Very low | 27.2 | Very low | 135 Ų | 135 | 116.3 Ų | 116.3 | 63% | 0.625 | 65% | 0.649 | S | S | * | * | trans | 64.8 | 106.9 | 148.8 | -66.5 | -49.4 | 0 | 0 | 0 | 118.8 | S1778 | S1778-H2516 WeakPolarHBondContact CB-NE2 2.92Å; S1778-H2516 PolarHBondContact OG-NE2 2.98Å | ||
| 2517 | S | 24.9 | Very low | 27.2 | Very low | 69 Ų | 69 | 112.2 Ų | 112.2 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | 80.9 | 145.8 | 61.3 | 84.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 2518 | R | 24.6 | Very low | 27.5 | Very low | 133 Ų | 133 | 113.3 Ų | 113.3 | 50% | 0.502 | 63% | 0.627 | S | S | . | * | cis | -80.8 | 166.5 | 16.8 | -100.7 | 62.6 | -150.2 | -74.4 | -6.2 | 113.8 | G2127 Y2128 H2129 D2130 | G2127-R2518 WeakPolarHBondContact O-CB 3.3Å; Y2128-R2518 CarbonylContact O-C 3.49Å; Y2128-R2518 VanDerWaalsContact O-CA 3.28Å; Y2128-R2518 WeakPolarHBondContact O-CA 3.37Å; Y2128-R2518 WeakPolarHBondContact O-CB 3.31Å; Y2128-R2518 PolarHBondContact O-N 2.97Å; Y2128-R2518 VanDerWaalsContact O-O 3.1Å; H2129-R2518 CarbonylContact C-O 3.53Å; D2130-R2518 PolarHBondContact N-O 3.24Å | ||
| 2519 | I | 30.8 | Very low | 27.7 | Very low | 185 Ų | 185 | 111.3 Ų | 111.3 | 95% | 0.949 | 61% | 0.608 | S | S | * | * | cis | -84.5 | 0 | 4.4 | -57.1 | -179.4 | 0 | 0 | 0 | 111.1 |
Retrieved 2,519 of 2,519 residues in 529.4 ms
(Link to these results)