| 1 | M | 39.7 | Very low | 50.1 | Low | 226 Ų | 226 | 124.4 Ų | 124.4 | 100% | 1.113 | 67% | 0.674 | S | S | * | * | | | | 0 | -36.9 | 0 | -83.8 | 178.5 | 164.9 | 0 | 0 | 112.7 | T3 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.12Å |
| 2 | S | 38.9 | Very low | 52.9 | Low | 119 Ų | 119 | 122.5 Ų | 122.5 | 83% | 0.832 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | 82.9 | 171.3 | 35.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 3 | T | 44 | Very low | 55.5 | Low | 137 Ų | 137 | 118.1 Ų | 118.1 | 84% | 0.84 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.7 | 38.3 | 152.4 | 22.6 | 0 | 0 | 0 | 0 | 112.8 | M1 K5 | M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.12Å; T3-K5 PolarHBondContact O-N 3.06Å |
| 4 | L | 45.1 | Very low | 58 | Low | 160 Ų | 160 | 112.1 Ų | 112.1 | 84% | 0.838 | 62% | 0.622 | S | S | * | * | | | trans | -81.9 | 92.5 | 154.3 | -77.4 | 176.6 | 0 | 0 | 0 | 107.5 | L6 | L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.26Å |
| 5 | K | 40.1 | Very low | 60.2 | Low | 171 Ų | 171 | 105.7 Ų | 105.7 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | | | trans | -77.4 | 89.5 | 176.9 | -160.8 | -173.9 | -177.3 | -156.3 | 0 | 107.9 | T3 E7 | T3-K5 PolarHBondContact O-N 3.06Å; K5-E7 PolarHBondContact O-N 3.17Å |
| 6 | L | 48.9 | Very low | 62 | Low | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | | | trans | -69.9 | 110.8 | 177.8 | -169.2 | 70.8 | 0 | 0 | 0 | 108.4 | L4 D8 | L4-L6 VanDerWaalsContact C-N 3.35Å; L4-L6 PolarHBondContact O-N 3.26Å; L6-D8 PolarHBondContact O-N 3.37Å |
| 7 | E | 42.6 | Very low | 63.7 | Low | 172 Ų | 172 | 103.9 Ų | 103.9 | 80% | 0.804 | 57% | 0.568 | S | S | * | * | | | trans | -85 | 52.3 | -176.8 | -69.3 | 179.4 | 143 | 0 | 0 | 111.8 | K5 | K5-E7 PolarHBondContact O-N 3.17Š|
| 8 | D | 47.7 | Very low | 65.3 | Low | 73 Ų | 73 | 105.4 Ų | 105.4 | 39% | 0.39 | 57% | 0.568 | S | S | . | * | | | trans | -120.3 | 110.8 | 161 | -175.3 | -33.6 | 0 | 0 | 0 | 107 | L6 T10 | L6-D8 PolarHBondContact O-N 3.37Å; D8-T10 PolarHBondContact O-N 3.15Å; D8-T10 PolarHBondContact OD1-N 3.16Å; D8-T10 PolarHBondContact OD1-OG1 3.45Å |
| 9 | P | 54.6 | Low | 66.8 | Low | 134 Ų | 134 | 100.8 Ų | 100.8 | 87% | 0.87 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 11.7 | -164.1 | 32.1 | -37.5 | 0 | 0 | 0 | 114.6 | | |
| 10 | T | 70.4 | Confident | 68.1 | Low | 51 Ų | 51 | 100.9 Ų | 100.9 | 31% | 0.313 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | -24 | -167 | 60.3 | 0 | 0 | 0 | 0 | 115.9 | D8 Q43 Y46 | D8-T10 PolarHBondContact O-N 3.15Å; D8-T10 PolarHBondContact OD1-N 3.16Å; D8-T10 PolarHBondContact OD1-OG1 3.45Å; T10-Q43 PolarHBondContact OG1-NE2 2.69Å; T10-Y46 WeakPolarHBondContact O-CE1 3.06Å |
| 11 | V | 78.8 | Confident | 69.2 | Low | 16 Ų | 16 | 96.1 Ų | 96.1 | 10% | 0.097 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -126.4 | 115.5 | -179.6 | -165.9 | 0 | 0 | 0 | 0 | 110.2 | I16 M21 Y46 | V11-I16 HydrophobicContact CG1-CD1 4.16Å; V11-I16 HydrophobicContact CG1-CG1 3.6Å; V11-M21 HydrophobicContact CG1-SD 4.26Å; V11-Y46 HydrophobicContact CB-CD1 4.44Å; V11-Y46 HydrophobicContact CB-CG 4.48Å; V11-Y46 HydrophobicContact CG1-CD1 4.3Å; V11-Y46 HydrophobicContact CG1-CD2 3.79Å; V11-Y46 HydrophobicContact CG1-CE1 4.47Å; V11-Y46 HydrophobicContact CG1-CE2 3.98Å; V11-Y46 HydrophobicContact CG1-CG 3.9Å; V11-Y46 HydrophobicContact CG2-CD1 3.83Å; V11-Y46 HydrophobicContact CG2-CE1 4.29Å; V11-Y46 HydrophobicContact CG2-CG 3.99Å |
| 12 | D | 84.7 | Confident | 71.6 | Confident | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | | | trans | -69.1 | 135.7 | 174.5 | -176.4 | 1.4 | 0 | 0 | 0 | 110.2 | G14 D15 I16 | D12-G14 PolarHBondContact O-N 2.7Å; D12-G14 PolarHBondContact OD1-N 3.39Å; D12-D15 HydrophobicContact CB-CB 4.38Å; D12-D15 CarbonylContact O-C 3.58Å; D12-D15 WeakPolarHBondContact O-CA 3.27Å; D12-D15 PolarHBondContact O-N 3.44Å; D12-I16 PolarHBondContact O-N 3.11Å |
| 13 | V | 86.4 | Confident | 74.2 | Confident | 65 Ų | 65 | 85.1 Ų | 85.1 | 39% | 0.394 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.6 | -35.9 | 173.2 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | D15 I16 E17 | V13-D15 PolarHBondContact O-N 2.81Å; V13-I16 PolarHBondContact O-N 2.85Å; V13-E17 PolarHBondContact O-N 3.31Å; V13-E17 VanDerWaalsContact O-N 3.09Å |
| 14 | G | 90 | Very high | 76.6 | Confident | 35 Ų | 35 | 78.6 Ų | 78.6 | 36% | 0.361 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D12 K18 | D12-G14 PolarHBondContact O-N 2.7Å; D12-G14 PolarHBondContact OD1-N 3.39Å; G14-K18 WeakPolarHBondContact O-CB 3.38Å; G14-K18 PolarHBondContact O-N 3.4Å |
| 15 | D | 90.5 | Very high | 78.8 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 8% | 0.08 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -83 | -29.4 | 174.8 | -86 | -14.3 | 0 | 0 | 0 | 113.3 | D12 V13 E17 K18 Y19 Y46 K51 | D12-D15 HydrophobicContact CB-CB 4.38Å; D12-D15 CarbonylContact O-C 3.58Å; D12-D15 WeakPolarHBondContact O-CA 3.27Å; D12-D15 PolarHBondContact O-N 3.44Å; V13-D15 PolarHBondContact O-N 2.81Å; D15-E17 VanDerWaalsContact C-N 3.31Å; D15-E17 PolarHBondContact O-N 3.49Å; D15-K18 WeakPolarHBondContact OD1-CD 3.07Å; D15-K18 WeakPolarHBondContact OD1-CE 3.39Å; D15-K18 IonicContact OD1-NZ 3.1Å; D15-K18 PolarHBondContact OD1-NZ 3.32Å; D15-Y19 HydrophobicContact CB-CD2 3.82Å; D15-Y19 HydrophobicContact CB-CE2 3.77Å; D15-Y19 WeakPolarHBondContact O-CB 3.4Å; D15-Y19 VanDerWaalsContact O-CD2 3.25Å; D15-Y19 WeakPolarHBondContact O-CD2 3.18Å; D15-Y19 PolarHBondContact O-N 2.96Å; D15-Y19 WeakPolarHBondContact OD1-CE2 3.06Å; D15-Y46 HydrophobicContact CB-CE2 3.76Å; D15-Y46 PolarHBondContact OD2-OH 3.36Å; D15-K51 VanDerWaalsContact OD2-CE 3.28Å; D15-K51 WeakPolarHBondContact OD2-CE 3.14Å; D15-K51 IonicContact OD2-NZ 2.72Å; D15-K51 PolarHBondContact OD2-NZ 3.1Å |
| 16 | I | 90 | Very high | 81.2 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58 | -45.9 | 170.4 | -64.5 | 175.1 | 0 | 0 | 0 | 110.1 | V11 D12 V13 R20 M21 L42 | V11-I16 HydrophobicContact CG1-CD1 4.16Å; V11-I16 HydrophobicContact CG1-CG1 3.6Å; D12-I16 PolarHBondContact O-N 3.11Å; V13-I16 PolarHBondContact O-N 2.85Å; I16-R20 PolarHBondContact O-N 2.74Å; I16-M21 HydrophobicContact CG2-CB 4.31Å; I16-M21 PolarHBondContact O-N 3.27Å; I16-L42 HydrophobicContact CD1-CD2 3.98Å; I16-L42 HydrophobicContact CG1-CD2 4.43Å |
| 17 | E | 91.3 | Very high | 83.3 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 70% | 0.696 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.1 | -51.1 | 177.2 | -67.4 | -176.9 | 173.3 | 0 | 0 | 111.4 | V13 D15 Y19 R20 | V13-E17 PolarHBondContact O-N 3.31Å; V13-E17 VanDerWaalsContact O-N 3.09Å; D15-E17 VanDerWaalsContact C-N 3.31Å; D15-E17 PolarHBondContact O-N 3.49Å; E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 PolarHBondContact O-N 3.04Å; E17-R20 PolarHBondContact O-N 3.06Å; E17-R20 VanDerWaalsContact O-N 3.07Å |
| 18 | K | 91.1 | Very high | 85.6 | Confident | 132 Ų | 132 | 56.7 Ų | 56.7 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.3 | -30.5 | -176.6 | 170.3 | -179.7 | 143.8 | -148.1 | 0 | 114.8 | G14 D15 | G14-K18 WeakPolarHBondContact O-CB 3.38Å; G14-K18 PolarHBondContact O-N 3.4Å; D15-K18 WeakPolarHBondContact OD1-CD 3.07Å; D15-K18 WeakPolarHBondContact OD1-CE 3.39Å; D15-K18 IonicContact OD1-NZ 3.1Å; D15-K18 PolarHBondContact OD1-NZ 3.32Å |
| 19 | Y | 93.7 | Very high | 87.6 | Confident | 17 Ų | 17 | 58 Ų | 58 | 7% | 0.067 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 15.6 | 175.4 | -56.5 | -56.3 | 0 | 0 | 0 | 113.2 | D15 E17 M21 L24 Y46 L50 P114 A115 A118 | D15-Y19 HydrophobicContact CB-CD2 3.82Å; D15-Y19 HydrophobicContact CB-CE2 3.77Å; D15-Y19 WeakPolarHBondContact O-CB 3.4Å; D15-Y19 VanDerWaalsContact O-CD2 3.25Å; D15-Y19 WeakPolarHBondContact O-CD2 3.18Å; D15-Y19 PolarHBondContact O-N 2.96Å; D15-Y19 WeakPolarHBondContact OD1-CE2 3.06Å; E17-Y19 VanDerWaalsContact C-N 3.33Å; E17-Y19 PolarHBondContact O-N 3.04Å; Y19-M21 PolarHBondContact O-N 3.49Å; Y19-L24 WeakPolarHBondContact O-CD1 3.1Å; Y19-Y46 HydrophobicContact CE2-CE2 4.46Å; Y19-L50 HydrophobicContact CG-CD1 4.22Å; Y19-P114 HydrophobicContact CE1-CB 4.11Å; Y19-A115 HydrophobicContact CE1-CB 4Å; Y19-A118 HydrophobicContact CD1-CB 3.92Å; Y19-A118 HydrophobicContact CG-CB 4.39Å |
| 20 | R | 93.6 | Very high | 89.2 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 35.2 | -177.5 | -74.2 | 179.1 | 64.8 | -152.1 | 9.1 | 113.4 | I16 E17 A22 F23 L24 D122 E126 | I16-R20 PolarHBondContact O-N 2.74Å; E17-R20 PolarHBondContact O-N 3.06Å; E17-R20 VanDerWaalsContact O-N 3.07Å; R20-A22 PolarHBondContact O-N 3.08Å; R20-F23 HydrophobicContact CB-CB 4.41Å; R20-F23 WeakPolarHBondContact O-CB 3.41Å; R20-F23 PolarHBondContact O-N 3.49Å; R20-L24 PolarHBondContact O-N 3.34Å; R20-D122 WeakPolarHBondContact CD-OD2 3.4Å; R20-D122 IonicContact CZ-OD2 3.72Å; R20-D122 IonicContact NE-OD2 3.76Å; R20-D122 IonicContact NH1-OD1 3.55Å; R20-D122 IonicContact NH1-OD2 3.49Å; R20-D122 PolarHBondContact NH1-OD2 3.15Å; R20-E126 IonicContact NH1-OE1 3.63Å; R20-E126 IonicContact NH2-OE1 2.7Å; R20-E126 PolarHBondContact NH2-OE1 3.09Å |
| 21 | M | 91.8 | Very high | 90 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62 | -29 | -164.3 | -65.3 | -153.2 | 73.6 | 0 | 0 | 114.1 | V11 I16 Y19 F23 M25 L42 L45 Y46 L50 | V11-M21 HydrophobicContact CG1-SD 4.26Å; I16-M21 HydrophobicContact CG2-CB 4.31Å; I16-M21 PolarHBondContact O-N 3.27Å; Y19-M21 PolarHBondContact O-N 3.49Å; M21-F23 VanDerWaalsContact C-N 3.34Å; M21-M25 VanDerWaalsContact O-CB 3.29Å; M21-M25 WeakPolarHBondContact O-CB 3.47Å; M21-M25 VanDerWaalsContact O-CG 3.27Å; M21-M25 WeakPolarHBondContact O-CG 3.27Å; M21-M25 PolarHBondContact O-N 3.21Å; M21-L42 HydrophobicContact CB-CD1 3.68Å; M21-L42 HydrophobicContact CE-CD1 3.92Å; M21-L42 HydrophobicContact SD-CD1 4.1Å; M21-L45 HydrophobicContact CE-CB 3.95Å; M21-L45 HydrophobicContact CE-CD2 3.8Å; M21-L45 HydrophobicContact CE-CG 3.66Å; M21-Y46 VanDerWaalsContact CE-CA 3.48Å; M21-Y46 VanDerWaalsContact CE-N 3.32Å; M21-Y46 HydrophobicContact SD-CD2 3.74Å; M21-Y46 HydrophobicContact SD-CG 4.22Å; M21-L50 HydrophobicContact CE-CD1 3.99Å; M21-L50 HydrophobicContact CG-CD1 4.46Å; M21-L50 HydrophobicContact SD-CD1 4.44Å |
| 22 | A | 90.2 | Very high | 90.3 | Very high | 68 Ų | 68 | 60 Ų | 60 | 56% | 0.562 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -37.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | R20 Q26 | R20-A22 PolarHBondContact O-N 3.08Å; A22-Q26 VanDerWaalsContact O-CB 3.31Å; A22-Q26 WeakPolarHBondContact O-CB 3.12Å; A22-Q26 PolarHBondContact O-N 2.71Å |
| 23 | F | 93 | Very high | 90.1 | Very high | 47 Ų | 47 | 66.8 Ų | 66.8 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.8 | -47.4 | 176.7 | 171.9 | -104.8 | 0 | 0 | 0 | 111.2 | R20 M21 M25 Q26 F27 D122 I125 E126 Y129 | R20-F23 HydrophobicContact CB-CB 4.41Å; R20-F23 WeakPolarHBondContact O-CB 3.41Å; R20-F23 PolarHBondContact O-N 3.49Å; M21-F23 VanDerWaalsContact C-N 3.34Å; F23-M25 VanDerWaalsContact C-N 3.35Å; F23-M25 PolarHBondContact O-N 2.77Å; F23-Q26 WeakPolarHBondContact O-CB 3.37Å; F23-Q26 PolarHBondContact O-N 3.02Å; F23-Q26 VanDerWaalsContact O-N 3.15Å; F23-F27 PolarHBondContact O-N 2.73Å; F23-D122 WeakPolarHBondContact CD1-OD1 2.97Å; F23-I125 HydrophobicContact CE1-CB 4.5Å; F23-I125 HydrophobicContact CE1-CG2 3.73Å; F23-I125 HydrophobicContact CZ-CG2 3.7Å; F23-E126 WeakPolarHBondContact CZ-OE1 3.4Å; F23-Y129 HydrophobicContact CZ-CE2 4.44Å |
| 24 | L | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -56.9 | -47.5 | 174.2 | -63.4 | 178.6 | 0 | 0 | 0 | 111.4 | Y19 R20 Q26 F27 F28 L45 L50 L121 D122 I125 | Y19-L24 WeakPolarHBondContact O-CD1 3.1Å; R20-L24 PolarHBondContact O-N 3.34Å; L24-Q26 PolarHBondContact O-N 3.44Å; L24-F27 PolarHBondContact O-N 3.25Å; L24-F28 HydrophobicContact CB-CE2 4.24Å; L24-F28 WeakPolarHBondContact O-CD2 3.14Å; L24-F28 WeakPolarHBondContact O-CG 3.1Å; L24-F28 PolarHBondContact O-N 2.85Å; L24-L45 HydrophobicContact CB-CD2 3.78Å; L24-L50 HydrophobicContact CD1-CD1 4.29Å; L24-L121 HydrophobicContact CD2-CB 3.88Å; L24-D122 WeakPolarHBondContact CD2-OD1 3.34Å; L24-I125 HydrophobicContact CD2-CD1 3.51Å |
| 25 | M | 90.6 | Very high | 89.5 | Confident | 34 Ų | 34 | 67.6 Ų | 67.6 | 17% | 0.167 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175 | -78.6 | -61.3 | -54.2 | 0 | 0 | 112.6 | M21 F23 F28 V29 L40 L42 L45 | M21-M25 VanDerWaalsContact O-CB 3.29Å; M21-M25 WeakPolarHBondContact O-CB 3.47Å; M21-M25 VanDerWaalsContact O-CG 3.27Å; M21-M25 WeakPolarHBondContact O-CG 3.27Å; M21-M25 PolarHBondContact O-N 3.21Å; F23-M25 VanDerWaalsContact C-N 3.35Å; F23-M25 PolarHBondContact O-N 2.77Å; M25-F28 PolarHBondContact O-N 2.81Å; M25-V29 WeakPolarHBondContact O-CB 2.92Å; M25-V29 VanDerWaalsContact O-CG2 3.27Å; M25-V29 WeakPolarHBondContact O-CG2 3.09Å; M25-V29 PolarHBondContact O-N 2.93Å; M25-L40 WeakPolarHBondContact CE-O 3.48Å; M25-L42 HydrophobicContact CG-CB 4.47Å; M25-L42 HydrophobicContact CG-CD1 3.81Å; M25-L42 HydrophobicContact SD-CB 4.49Å; M25-L45 HydrophobicContact CG-CD2 3.82Å; M25-L45 HydrophobicContact SD-CB 4.2Å; M25-L45 HydrophobicContact SD-CD2 3.72Å |
| 26 | Q | 91.1 | Very high | 89 | Confident | 110 Ų | 110 | 74.2 Ų | 74.2 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 177.6 | 179.8 | 174.7 | -13 | 0 | 0 | 111.3 | A22 F23 L24 V29 Q30 | A22-Q26 VanDerWaalsContact O-CB 3.31Å; A22-Q26 WeakPolarHBondContact O-CB 3.12Å; A22-Q26 PolarHBondContact O-N 2.71Å; F23-Q26 WeakPolarHBondContact O-CB 3.37Å; F23-Q26 PolarHBondContact O-N 3.02Å; F23-Q26 VanDerWaalsContact O-N 3.15Å; L24-Q26 PolarHBondContact O-N 3.44Å; Q26-V29 PolarHBondContact O-N 2.79Å; Q26-Q30 HydrophobicContact CG-CG 4.38Å; Q26-Q30 WeakPolarHBondContact O-CB 3.26Å; Q26-Q30 WeakPolarHBondContact O-CG 3.22Å; Q26-Q30 PolarHBondContact O-N 2.82Å |
| 27 | F | 93.5 | Very high | 88.1 | Confident | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 175.6 | 176.9 | -92.9 | 0 | 0 | 0 | 112 | F23 L24 V29 Q30 H31 F35 I125 V128 Y129 | F23-F27 PolarHBondContact O-N 2.73Å; L24-F27 PolarHBondContact O-N 3.25Å; F27-V29 VanDerWaalsContact C-N 3.3Å; F27-V29 PolarHBondContact O-N 3.34Å; F27-Q30 PolarHBondContact O-N 3.37Å; F27-H31 AromaticContact CD2-CD2 3.35Å; F27-H31 WeakPolarHBondContact CD2-CD2 3.36Å; F27-H31 AromaticContact CD2-NE2 3.88Å; F27-H31 AromaticContact CE2-CD2 3.38Å; F27-H31 WeakPolarHBondContact CE2-CD2 3.45Å; F27-H31 AromaticContact CE2-NE2 3.81Å; F27-H31 AromaticContact CG-CD2 3.99Å; F27-H31 PolarHBondContact O-CD2 2.71Å; F27-H31 PolarHBondContact O-N 2.87Å; F27-F35 HydrophobicContact CE1-CD2 4.25Å; F27-F35 AromaticContact CE1-CE2 3.57Å; F27-F35 HydrophobicContact CE1-CE2 3.57Å; F27-F35 HydrophobicContact CE1-CZ 4.18Å; F27-F35 HydrophobicContact CE2-CE2 4.48Å; F27-F35 HydrophobicContact CZ-CD2 4.5Å; F27-F35 AromaticContact CZ-CE2 3.43Å; F27-F35 HydrophobicContact CZ-CE2 3.43Å; F27-F35 VanDerWaalsContact CZ-CE2 3.43Å; F27-F35 AromaticContact CZ-CZ 3.79Å; F27-F35 HydrophobicContact CZ-CZ 3.79Å; F27-I125 HydrophobicContact CB-CD1 4.13Å; F27-I125 HydrophobicContact CB-CG2 4.22Å; F27-I125 HydrophobicContact CD1-CD1 3.63Å; F27-I125 HydrophobicContact CD1-CG1 3.63Å; F27-I125 HydrophobicContact CD2-CB 4.26Å; F27-I125 HydrophobicContact CD2-CD1 4.49Å; F27-I125 HydrophobicContact CD2-CG1 4.02Å; F27-I125 HydrophobicContact CD2-CG2 3.45Å; F27-I125 VanDerWaalsContact CD2-CG2 3.45Å; F27-I125 HydrophobicContact CE1-CD1 4.13Å; F27-I125 HydrophobicContact CE1-CG1 3.66Å; F27-I125 HydrophobicContact CE2-CB 4.29Å; F27-I125 HydrophobicContact CE2-CG1 4.03Å; F27-I125 HydrophobicContact CE2-CG2 3.84Å; F27-I125 HydrophobicContact CG-CB 4.44Å; F27-I125 HydrophobicContact CG-CD1 3.84Å; F27-I125 HydrophobicContact CG-CG1 3.82Å; F27-I125 HydrophobicContact CG-CG2 3.82Å; F27-I125 HydrophobicContact CZ-CG1 3.84Å; F27-V128 HydrophobicContact CE2-CB 4.25Å; F27-V128 HydrophobicContact CE2-CG1 3.96Å; F27-V128 HydrophobicContact CZ-CB 4.36Å; F27-V128 HydrophobicContact CZ-CG1 4.13Å; F27-V128 HydrophobicContact CZ-CG2 4.47Å; F27-Y129 AromaticContact CD2-CE2 3.98Å; F27-Y129 HydrophobicContact CD2-CE2 3.98Å; F27-Y129 AromaticContact CD2-CZ 3.89Å; F27-Y129 HydrophobicContact CE2-CE2 4.41Å |
| 28 | F | 90.6 | Very high | 86.9 | Confident | 7 Ų | 7 | 70.8 Ų | 70.8 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -68.1 | -27.2 | -179.1 | -63.4 | -49.7 | 0 | 0 | 0 | 113.6 | L24 M25 K32 F37 L40 L45 L61 I65 I125 | L24-F28 HydrophobicContact CB-CE2 4.24Å; L24-F28 WeakPolarHBondContact O-CD2 3.14Å; L24-F28 WeakPolarHBondContact O-CG 3.1Å; L24-F28 PolarHBondContact O-N 2.85Å; M25-F28 PolarHBondContact O-N 2.81Å; F28-K32 WeakPolarHBondContact O-CA 3.27Å; F28-K32 WeakPolarHBondContact O-CB 3.45Å; F28-K32 PolarHBondContact O-N 3.4Å; F28-F37 AromaticContact CD1-CD2 3.74Å; F28-F37 HydrophobicContact CD1-CD2 3.74Å; F28-F37 AromaticContact CD1-CE2 3.44Å; F28-F37 HydrophobicContact CD1-CE2 3.44Å; F28-F37 VanDerWaalsContact CD1-CE2 3.44Å; F28-F37 HydrophobicContact CD1-CZ 4.31Å; F28-F37 HydrophobicContact CE1-CD2 4.41Å; F28-F37 AromaticContact CE1-CE2 3.72Å; F28-F37 HydrophobicContact CE1-CE2 3.72Å; F28-F37 HydrophobicContact CE1-CZ 4.19Å; F28-F37 HydrophobicContact CG-CD2 4.49Å; F28-L40 HydrophobicContact CB-CD1 4.46Å; F28-L40 HydrophobicContact CD2-CD1 4.29Å; F28-L40 HydrophobicContact CG-CD1 4.29Å; F28-L45 HydrophobicContact CD2-CD1 4.29Å; F28-L45 HydrophobicContact CD2-CD2 4.41Å; F28-L45 HydrophobicContact CE2-CD1 3.91Å; F28-L61 HydrophobicContact CD1-CD1 4.37Å; F28-L61 HydrophobicContact CE1-CD1 3.58Å; F28-L61 HydrophobicContact CE1-CG 4.48Å; F28-L61 HydrophobicContact CE2-CD2 4.36Å; F28-L61 HydrophobicContact CZ-CD1 3.69Å; F28-L61 HydrophobicContact CZ-CD2 3.94Å; F28-L61 HydrophobicContact CZ-CG 4.17Å; F28-I65 HydrophobicContact CE1-CD1 4.2Å; F28-I65 HydrophobicContact CZ-CD1 4.47Å; F28-I125 HydrophobicContact CZ-CD1 4.17Å |
| 29 | V | 89.1 | Confident | 86 | Confident | 101 Ų | 101 | 72.4 Ų | 72.4 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.7 | -47.8 | 171 | 169 | 0 | 0 | 0 | 0 | 111.2 | M25 Q26 F27 | M25-V29 WeakPolarHBondContact O-CB 2.92Å; M25-V29 VanDerWaalsContact O-CG2 3.27Å; M25-V29 WeakPolarHBondContact O-CG2 3.09Å; M25-V29 PolarHBondContact O-N 2.93Å; Q26-V29 PolarHBondContact O-N 2.79Å; F27-V29 VanDerWaalsContact C-N 3.3Å; F27-V29 PolarHBondContact O-N 3.34Å |
| 30 | Q | 88.3 | Confident | 85.4 | Confident | 109 Ų | 109 | 73.8 Ų | 73.8 | 51% | 0.509 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 179.9 | -74.6 | 174.8 | -34.3 | 0 | 0 | 111.9 | Q26 F27 K32 Y129 | Q26-Q30 HydrophobicContact CG-CG 4.38Å; Q26-Q30 WeakPolarHBondContact O-CB 3.26Å; Q26-Q30 WeakPolarHBondContact O-CG 3.22Å; Q26-Q30 PolarHBondContact O-N 2.82Å; F27-Q30 PolarHBondContact O-N 3.37Å; Q30-K32 PolarHBondContact O-N 2.97Å; Q30-Y129 PolarHBondContact OE1-OH 2.79Å |
| 31 | H | 87.4 | Confident | 85.1 | Confident | 39 Ų | 39 | 75.2 Ų | 75.2 | 18% | 0.181 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 16.2 | -176.7 | -61.7 | -77.2 | 0 | 0 | 0 | 114.1 | F27 R33 R34 F35 Y129 | F27-H31 AromaticContact CD2-CD2 3.35Å; F27-H31 WeakPolarHBondContact CD2-CD2 3.36Å; F27-H31 AromaticContact CD2-NE2 3.88Å; F27-H31 AromaticContact CE2-CD2 3.38Å; F27-H31 WeakPolarHBondContact CE2-CD2 3.45Å; F27-H31 AromaticContact CE2-NE2 3.81Å; F27-H31 AromaticContact CG-CD2 3.99Å; F27-H31 PolarHBondContact O-CD2 2.71Å; F27-H31 PolarHBondContact O-N 2.87Å; H31-R33 PolarHBondContact O-N 3.35Å; H31-R33 VanDerWaalsContact O-N 3.11Å; H31-R34 HydrophobicContact CB-CB 4.28Å; H31-R34 WeakPolarHBondContact O-CB 3.27Å; H31-R34 PolarHBondContact O-N 2.77Å; H31-F35 HydrophobicContact CB-CD2 3.64Å; H31-F35 HydrophobicContact CB-CE2 3.5Å; H31-F35 VanDerWaalsContact CB-CE2 3.5Å; H31-F35 PolarHBondContact O-N 3Å; H31-Y129 AromaticContact NE2-CE1 3.75Å; H31-Y129 AromaticContact NE2-CZ 3.97Å |
| 32 | K | 84.8 | Confident | 84.9 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -51.9 | -38.8 | -179.6 | -168.9 | -174.5 | 176.9 | -167.7 | 0 | 113.2 | F28 Q30 R34 R36 | F28-K32 WeakPolarHBondContact O-CA 3.27Å; F28-K32 WeakPolarHBondContact O-CB 3.45Å; F28-K32 PolarHBondContact O-N 3.4Å; Q30-K32 PolarHBondContact O-N 2.97Å; K32-R34 VanDerWaalsContact C-N 3.35Å; K32-R36 PolarHBondContact O-N 3.44Å |
| 33 | R | 81.1 | Confident | 84.7 | Confident | 245 Ų | 245 | 77 Ų | 77 | 93% | 0.925 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.3 | -30.9 | 176.5 | -72.7 | -174 | 176.8 | -178.7 | -0.5 | 113.3 | H31 | H31-R33 PolarHBondContact O-N 3.35Å; H31-R33 VanDerWaalsContact O-N 3.11Å |
| 34 | R | 81.6 | Confident | 84.6 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.2 | -44.5 | -175.8 | -158.2 | -178.3 | -144.2 | 168.8 | 6.9 | 112 | H31 K32 F68 | H31-R34 HydrophobicContact CB-CB 4.28Å; H31-R34 WeakPolarHBondContact O-CB 3.27Å; H31-R34 PolarHBondContact O-N 2.77Å; K32-R34 VanDerWaalsContact C-N 3.35Å; R34-F68 HydrophobicContact CG-CD2 4.38Å |
| 35 | F | 82.3 | Confident | 84.4 | Confident | 12 Ų | 12 | 75.7 Ų | 75.7 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -103.4 | 0.2 | -171.5 | -58.7 | -71.5 | 0 | 0 | 0 | 115.1 | F27 H31 F37 R64 I65 F68 | F27-F35 HydrophobicContact CE1-CD2 4.25Å; F27-F35 AromaticContact CE1-CE2 3.57Å; F27-F35 HydrophobicContact CE1-CE2 3.57Å; F27-F35 HydrophobicContact CE1-CZ 4.18Å; F27-F35 HydrophobicContact CE2-CE2 4.48Å; F27-F35 HydrophobicContact CZ-CD2 4.5Å; F27-F35 AromaticContact CZ-CE2 3.43Å; F27-F35 HydrophobicContact CZ-CE2 3.43Å; F27-F35 VanDerWaalsContact CZ-CE2 3.43Å; F27-F35 AromaticContact CZ-CZ 3.79Å; F27-F35 HydrophobicContact CZ-CZ 3.79Å; H31-F35 HydrophobicContact CB-CD2 3.64Å; H31-F35 HydrophobicContact CB-CE2 3.5Å; H31-F35 VanDerWaalsContact CB-CE2 3.5Å; H31-F35 PolarHBondContact O-N 3Å; F35-F37 VanDerWaalsContact C-N 3.25Å; F35-F37 HydrophobicContact CB-CD2 3.54Å; F35-F37 HydrophobicContact CB-CE1 4.25Å; F35-F37 HydrophobicContact CB-CE2 3.11Å; F35-F37 HydrophobicContact CB-CG 4.25Å; F35-F37 HydrophobicContact CB-CZ 3.48Å; F35-F37 VanDerWaalsContact CB-CZ 3.48Å; F35-F37 HydrophobicContact CD1-CE2 4.5Å; F35-F37 HydrophobicContact CD2-CD2 4.48Å; F35-F37 AromaticContact CD2-CE2 3.78Å; F35-F37 HydrophobicContact CD2-CE2 3.78Å; F35-F37 HydrophobicContact CG-CD2 4.36Å; F35-F37 AromaticContact CG-CE2 3.58Å; F35-F37 HydrophobicContact CG-CE2 3.58Å; F35-F37 AromaticContact CG-CZ 3.99Å; F35-F37 HydrophobicContact CG-CZ 3.99Å; F35-F37 PolarHBondContact O-N 2.86Å; F35-R64 PolarHBondContact O-NH1 2.84Å; F35-I65 HydrophobicContact CE1-CB 4.49Å; F35-I65 HydrophobicContact CE1-CG1 4.2Å; F35-I65 HydrophobicContact CZ-CG1 4.42Å; F35-F68 HydrophobicContact CD1-CB 4.36Å; F35-F68 HydrophobicContact CE1-CB 3.62Å; F35-F68 HydrophobicContact CE1-CD1 4.1Å; F35-F68 AromaticContact CE1-CG 3.92Å; F35-F68 HydrophobicContact CE1-CG 3.92Å; F35-F68 HydrophobicContact CZ-CB 4.46Å; F35-F68 HydrophobicContact CZ-CD1 4.12Å; F35-F68 HydrophobicContact CZ-CG 4.33Å |
| 36 | R | 79.6 | Confident | 84.6 | Confident | 154 Ų | 154 | 74.9 Ų | 74.9 | 58% | 0.581 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41 | -179 | -72.2 | 177.2 | 149 | -158.2 | -7.6 | 113.6 | K32 R64 F262 D266 | K32-R36 PolarHBondContact O-N 3.44Å; R36-R64 PolarHBondContact O-NH1 2.85Å; R36-F262 VanDerWaalsContact NH1-CE2 3.33Å; R36-D266 IonicContact NH1-OD2 3.55Å; R36-D266 PolarHBondContact NH1-OD2 2.85Å |
| 37 | F | 71.3 | Confident | 84.5 | Confident | 15 Ų | 15 | 74.1 Ų | 74.1 | 7% | 0.066 | 33% | 0.327 | C | S | . | . | | | trans | -70.6 | 144.5 | 177.3 | -67.3 | -56.1 | 0 | 0 | 0 | 112.2 | F28 F35 L40 L61 R64 | F28-F37 AromaticContact CD1-CD2 3.74Å; F28-F37 HydrophobicContact CD1-CD2 3.74Å; F28-F37 AromaticContact CD1-CE2 3.44Å; F28-F37 HydrophobicContact CD1-CE2 3.44Å; F28-F37 VanDerWaalsContact CD1-CE2 3.44Å; F28-F37 HydrophobicContact CD1-CZ 4.31Å; F28-F37 HydrophobicContact CE1-CD2 4.41Å; F28-F37 AromaticContact CE1-CE2 3.72Å; F28-F37 HydrophobicContact CE1-CE2 3.72Å; F28-F37 HydrophobicContact CE1-CZ 4.19Å; F28-F37 HydrophobicContact CG-CD2 4.49Å; F35-F37 VanDerWaalsContact C-N 3.25Å; F35-F37 HydrophobicContact CB-CD2 3.54Å; F35-F37 HydrophobicContact CB-CE1 4.25Å; F35-F37 HydrophobicContact CB-CE2 3.11Å; F35-F37 HydrophobicContact CB-CG 4.25Å; F35-F37 HydrophobicContact CB-CZ 3.48Å; F35-F37 VanDerWaalsContact CB-CZ 3.48Å; F35-F37 HydrophobicContact CD1-CE2 4.5Å; F35-F37 HydrophobicContact CD2-CD2 4.48Å; F35-F37 AromaticContact CD2-CE2 3.78Å; F35-F37 HydrophobicContact CD2-CE2 3.78Å; F35-F37 HydrophobicContact CG-CD2 4.36Å; F35-F37 AromaticContact CG-CE2 3.58Å; F35-F37 HydrophobicContact CG-CE2 3.58Å; F35-F37 AromaticContact CG-CZ 3.99Å; F35-F37 HydrophobicContact CG-CZ 3.99Å; F35-F37 PolarHBondContact O-N 2.86Å; F37-L40 HydrophobicContact CB-CD1 4.47Å; F37-L40 HydrophobicContact CG-CD1 4.49Å; F37-L61 HydrophobicContact CD1-CD1 4.18Å; F37-L61 HydrophobicContact CE1-CD1 3.31Å; F37-L61 HydrophobicContact CE2-CD1 3.96Å; F37-L61 HydrophobicContact CZ-CD1 3.22Å; F37-R64 HydrophobicContact CE1-CB 4.45Å; F37-R64 HydrophobicContact CZ-CB 4.39Å |
| 38 | P | 66.9 | Low | 84.3 | Confident | 94 Ų | 94 | 79.3 Ų | 79.3 | 61% | 0.61 | 35% | 0.35 | S | S | * | . | | | trans | -52.2 | 169.4 | 160.6 | -25.5 | 35.5 | 0 | 0 | 0 | 112.3 | L40 | P38-L40 PolarHBondContact O-N 3.02Š|
| 39 | R | 71.7 | Confident | 84.4 | Confident | 166 Ų | 166 | 79.3 Ų | 79.3 | 63% | 0.626 | 35% | 0.35 | S | S | * | . | | | trans | -68.7 | 74.5 | 172.9 | -78.2 | 176.3 | 164.9 | 152.8 | -8.3 | 110.6 | R41 Y213 | R39-R41 PolarHBondContact O-N 3.26Å; R39-Y213 PolarHBondContact NH1-OH 2.76Å |
| 40 | L | 80.4 | Confident | 84.7 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | | | trans | -56.2 | 120.1 | 169.8 | -73.1 | 170.4 | 0 | 0 | 0 | 109.2 | M25 F28 F37 P38 D44 | M25-L40 WeakPolarHBondContact CE-O 3.48Å; F28-L40 HydrophobicContact CB-CD1 4.46Å; F28-L40 HydrophobicContact CD2-CD1 4.29Å; F28-L40 HydrophobicContact CG-CD1 4.29Å; F37-L40 HydrophobicContact CB-CD1 4.47Å; F37-L40 HydrophobicContact CG-CD1 4.49Å; P38-L40 PolarHBondContact O-N 3.02Å; L40-D44 HydrophobicContact CD2-CB 4.45Å |
| 41 | R | 87.4 | Confident | 84.9 | Confident | 133 Ų | 133 | 72.5 Ų | 72.5 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | | | trans | -90 | 159.9 | 165.4 | -57.1 | 172 | -65.7 | 142.7 | 16.1 | 108.4 | R39 Q43 D44 L45 | R39-R41 PolarHBondContact O-N 3.26Å; R41-Q43 VanDerWaalsContact NH1-OE1 3.11Å; R41-Q43 PolarHBondContact O-N 3.35Å; R41-D44 WeakPolarHBondContact CB-OD2 2.21Å; R41-D44 IonicContact CZ-OD2 2.83Å; R41-D44 IonicContact NE-OD2 3.87Å; R41-D44 PolarHBondContact NE-OD2 3.39Å; R41-D44 VanDerWaalsContact NH2-CG 3.31Å; R41-D44 IonicContact NH2-OD1 2.75Å; R41-D44 PolarHBondContact NH2-OD1 3.37Å; R41-D44 VanDerWaalsContact NH2-OD1 3.1Å; R41-D44 IonicContact NH2-OD2 3.72Å; R41-D44 PolarHBondContact NH2-OD2 2.86Å; R41-D44 PolarHBondContact O-N 3.17Å; R41-L45 PolarHBondContact O-N 3.23Å |
| 42 | L | 86.9 | Confident | 85 | Confident | 54 Ų | 54 | 72.9 Ų | 72.9 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -52.3 | -40.6 | 174.2 | -179.9 | 66 | 0 | 0 | 0 | 111.7 | I16 M21 M25 Y46 | I16-L42 HydrophobicContact CD1-CD2 3.98Å; I16-L42 HydrophobicContact CG1-CD2 4.43Å; M21-L42 HydrophobicContact CB-CD1 3.68Å; M21-L42 HydrophobicContact CE-CD1 3.92Å; M21-L42 HydrophobicContact SD-CD1 4.1Å; M25-L42 HydrophobicContact CG-CB 4.47Å; M25-L42 HydrophobicContact CG-CD1 3.81Å; M25-L42 HydrophobicContact SD-CB 4.49Å; L42-Y46 VanDerWaalsContact O-CB 3.31Å; L42-Y46 WeakPolarHBondContact O-CB 3.28Å; L42-Y46 PolarHBondContact O-N 2.87Å |
| 43 | Q | 87.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 24% | 0.243 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 173.6 | -179.6 | -176.8 | 76.4 | 0 | 0 | 113.3 | T10 R41 Q47 | T10-Q43 PolarHBondContact OG1-NE2 2.69Å; R41-Q43 VanDerWaalsContact NH1-OE1 3.11Å; R41-Q43 PolarHBondContact O-N 3.35Å; Q43-Q47 WeakPolarHBondContact O-CB 3.05Å; Q43-Q47 PolarHBondContact O-N 2.83Å |
| 44 | D | 89.2 | Confident | 85.5 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.2 | -41.9 | 179.4 | -62.7 | -70.8 | 0 | 0 | 0 | 111.2 | L40 R41 Y46 Q47 K48 V49 | L40-D44 HydrophobicContact CD2-CB 4.45Å; R41-D44 WeakPolarHBondContact CB-OD2 2.21Å; R41-D44 IonicContact CZ-OD2 2.83Å; R41-D44 IonicContact NE-OD2 3.87Å; R41-D44 PolarHBondContact NE-OD2 3.39Å; R41-D44 VanDerWaalsContact NH2-CG 3.31Å; R41-D44 IonicContact NH2-OD1 2.75Å; R41-D44 PolarHBondContact NH2-OD1 3.37Å; R41-D44 VanDerWaalsContact NH2-OD1 3.1Å; R41-D44 IonicContact NH2-OD2 3.72Å; R41-D44 PolarHBondContact NH2-OD2 2.86Å; R41-D44 PolarHBondContact O-N 3.17Å; D44-Y46 VanDerWaalsContact C-N 3.3Å; D44-Y46 PolarHBondContact O-N 2.95Å; D44-Q47 PolarHBondContact O-N 2.95Å; D44-K48 HydrophobicContact CB-CD 4.31Å; D44-K48 WeakPolarHBondContact O-CA 3.29Å; D44-K48 WeakPolarHBondContact O-CB 2.22Å; D44-K48 PolarHBondContact O-N 3.44Å; D44-K48 WeakPolarHBondContact OD1-CE 3.04Å; D44-K48 IonicContact OD1-NZ 2.8Å; D44-K48 PolarHBondContact OD1-NZ 2.84Å; D44-V49 PolarHBondContact O-N 2.75Å |
| 45 | L | 91.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | I | π-helix | trans | -60.3 | -40.7 | 174.5 | 180 | 65.9 | 0 | 0 | 0 | 111.5 | M21 L24 M25 F28 R41 V49 L50 | M21-L45 HydrophobicContact CE-CB 3.95Å; M21-L45 HydrophobicContact CE-CD2 3.8Å; M21-L45 HydrophobicContact CE-CG 3.66Å; L24-L45 HydrophobicContact CB-CD2 3.78Å; M25-L45 HydrophobicContact CG-CD2 3.82Å; M25-L45 HydrophobicContact SD-CB 4.2Å; M25-L45 HydrophobicContact SD-CD2 3.72Å; F28-L45 HydrophobicContact CD2-CD1 4.29Å; F28-L45 HydrophobicContact CD2-CD2 4.41Å; F28-L45 HydrophobicContact CE2-CD1 3.91Å; R41-L45 PolarHBondContact O-N 3.23Å; L45-V49 HydrophobicContact CD1-CB 4.21Å; L45-V49 HydrophobicContact CD1-CG1 4.27Å; L45-V49 HydrophobicContact CD1-CG2 4.38Å; L45-V49 WeakPolarHBondContact O-CB 2.22Å; L45-L50 WeakPolarHBondContact O-CG 3.31Å; L45-L50 PolarHBondContact O-N 3.47Å; L45-L50 VanDerWaalsContact O-N 3.11Å |
| 46 | Y | 93.3 | Very high | 86.4 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -68.5 | -55.6 | 176.1 | 174.4 | -104.4 | 0 | 0 | 0 | 111.9 | T10 V11 D15 Y19 M21 L42 D44 K51 | T10-Y46 WeakPolarHBondContact O-CE1 3.06Å; V11-Y46 HydrophobicContact CB-CD1 4.44Å; V11-Y46 HydrophobicContact CB-CG 4.48Å; V11-Y46 HydrophobicContact CG1-CD1 4.3Å; V11-Y46 HydrophobicContact CG1-CD2 3.79Å; V11-Y46 HydrophobicContact CG1-CE1 4.47Å; V11-Y46 HydrophobicContact CG1-CE2 3.98Å; V11-Y46 HydrophobicContact CG1-CG 3.9Å; V11-Y46 HydrophobicContact CG2-CD1 3.83Å; V11-Y46 HydrophobicContact CG2-CE1 4.29Å; V11-Y46 HydrophobicContact CG2-CG 3.99Å; D15-Y46 HydrophobicContact CB-CE2 3.76Å; D15-Y46 PolarHBondContact OD2-OH 3.36Å; Y19-Y46 HydrophobicContact CE2-CE2 4.46Å; M21-Y46 VanDerWaalsContact CE-CA 3.48Å; M21-Y46 VanDerWaalsContact CE-N 3.32Å; M21-Y46 HydrophobicContact SD-CD2 3.74Å; M21-Y46 HydrophobicContact SD-CG 4.22Å; L42-Y46 VanDerWaalsContact O-CB 3.31Å; L42-Y46 WeakPolarHBondContact O-CB 3.28Å; L42-Y46 PolarHBondContact O-N 2.87Å; D44-Y46 VanDerWaalsContact C-N 3.3Å; D44-Y46 PolarHBondContact O-N 2.95Å; Y46-K51 HydrophobicContact CD2-CD 4.35Å; Y46-K51 HydrophobicContact CE1-CD 3.99Å; Y46-K51 HydrophobicContact CE2-CD 3.75Å; Y46-K51 HydrophobicContact CE2-CG 4.36Å; Y46-K51 VanDerWaalsContact CZ-NZ 3.34Å; Y46-K51 WeakPolarHBondContact O-CB 2.23Å; Y46-K51 PolarHBondContact O-N 2.99Å; Y46-K51 PolarHBondContact OH-NZ 2.83Å |
| 47 | Q | 90 | Very high | 87 | Confident | 94 Ų | 94 | 60.5 Ų | 60.5 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -83.7 | -37.6 | -165.2 | -162.7 | 65 | 34 | 0 | 0 | 113.3 | Q43 D44 D52 | Q43-Q47 WeakPolarHBondContact O-CB 3.05Å; Q43-Q47 PolarHBondContact O-N 2.83Å; D44-Q47 PolarHBondContact O-N 2.95Å; Q47-D52 WeakPolarHBondContact O-CA 3.47Å; Q47-D52 WeakPolarHBondContact O-CB 3.25Å; Q47-D52 PolarHBondContact O-N 3.4Å; Q47-D52 VanDerWaalsContact O-N 3.14Å |
| 48 | K | 89.9 | Confident | 88.1 | Confident | 111 Ų | 111 | 59.8 Ų | 59.8 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | I | π-helix | trans | -100.2 | -18 | -173.8 | -62.7 | 175.3 | 177.9 | 160.8 | 0 | 114.7 | D44 D52 A57 | D44-K48 HydrophobicContact CB-CD 4.31Å; D44-K48 WeakPolarHBondContact O-CA 3.29Å; D44-K48 WeakPolarHBondContact O-CB 2.22Å; D44-K48 PolarHBondContact O-N 3.44Å; D44-K48 WeakPolarHBondContact OD1-CE 3.04Å; D44-K48 IonicContact OD1-NZ 2.8Å; D44-K48 PolarHBondContact OD1-NZ 2.84Å; K48-D52 WeakPolarHBondContact O-CB 3.38Å; K48-A57 WeakPolarHBondContact O-CB 3.33Å |
| 49 | V | 92.7 | Very high | 89.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -109.7 | -55.5 | -179.5 | -179 | 0 | 0 | 0 | 0 | 110.6 | D44 L45 A57 F58 L61 R117 L121 | D44-V49 PolarHBondContact O-N 2.75Å; L45-V49 HydrophobicContact CD1-CB 4.21Å; L45-V49 HydrophobicContact CD1-CG1 4.27Å; L45-V49 HydrophobicContact CD1-CG2 4.38Å; L45-V49 WeakPolarHBondContact O-CB 2.22Å; V49-A57 HydrophobicContact CG2-CB 4.4Å; V49-F58 HydrophobicContact CG1-CB 3.96Å; V49-F58 HydrophobicContact CG1-CD2 4.31Å; V49-L61 HydrophobicContact CG1-CD2 3.45Å; V49-L61 VanDerWaalsContact CG1-CD2 3.45Å; V49-R117 WeakPolarHBondContact O-CD 3.41Å; V49-R117 PolarHBondContact O-NH1 2.85Å; V49-L121 HydrophobicContact CG1-CD1 4.32Å |
| 50 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -80.9 | -47.7 | -176 | -63.9 | -175.9 | 0 | 0 | 0 | 113.3 | Y19 M21 L24 L45 P114 R117 A118 L121 | Y19-L50 HydrophobicContact CG-CD1 4.22Å; M21-L50 HydrophobicContact CE-CD1 3.99Å; M21-L50 HydrophobicContact CG-CD1 4.46Å; M21-L50 HydrophobicContact SD-CD1 4.44Å; L24-L50 HydrophobicContact CD1-CD1 4.29Å; L45-L50 WeakPolarHBondContact O-CG 3.31Å; L45-L50 PolarHBondContact O-N 3.47Å; L45-L50 VanDerWaalsContact O-N 3.11Å; L50-P114 VanDerWaalsContact O-CA 3.27Å; L50-P114 WeakPolarHBondContact O-CA 3.33Å; L50-P114 WeakPolarHBondContact O-CB 3.26Å; L50-P114 VanDerWaalsContact O-CG 3.28Å; L50-P114 WeakPolarHBondContact O-CG 3.41Å; L50-R117 HydrophobicContact CD2-CB 3.99Å; L50-A118 HydrophobicContact CD1-CB 4.16Å; L50-A118 HydrophobicContact CD2-CB 3.89Å; L50-L121 HydrophobicContact CD2-CD1 4.11Å |
| 51 | K | 92.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 48.2 Ų | 48.2 | 29% | 0.291 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -96.6 | -10.6 | -173.9 | -73.7 | -160.6 | 173.3 | -178.7 | 0 | 116.3 | D15 Y46 P114 | D15-K51 VanDerWaalsContact OD2-CE 3.28Å; D15-K51 WeakPolarHBondContact OD2-CE 3.14Å; D15-K51 IonicContact OD2-NZ 2.72Å; D15-K51 PolarHBondContact OD2-NZ 3.1Å; Y46-K51 HydrophobicContact CD2-CD 4.35Å; Y46-K51 HydrophobicContact CE1-CD 3.99Å; Y46-K51 HydrophobicContact CE2-CD 3.75Å; Y46-K51 HydrophobicContact CE2-CG 4.36Å; Y46-K51 VanDerWaalsContact CZ-NZ 3.34Å; Y46-K51 WeakPolarHBondContact O-CB 2.23Å; Y46-K51 PolarHBondContact O-N 2.99Å; Y46-K51 PolarHBondContact OH-NZ 2.83Å; K51-P114 HydrophobicContact CG-CB 4.26Å; K51-P114 HydrophobicContact CG-CG 4.2Å |
| 52 | D | 89 | Confident | 91.5 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 26% | 0.257 | 23% | 0.227 | S | C | . | . | | | trans | -65.6 | 129.8 | -176.7 | -152.1 | -50 | 0 | 0 | 0 | 110.9 | Q47 K48 D54 R117 | Q47-D52 WeakPolarHBondContact O-CA 3.47Å; Q47-D52 WeakPolarHBondContact O-CB 3.25Å; Q47-D52 PolarHBondContact O-N 3.4Å; Q47-D52 VanDerWaalsContact O-N 3.14Å; K48-D52 WeakPolarHBondContact O-CB 3.38Å; D52-D54 WeakPolarHBondContact CB-O 3.4Å; D52-D54 PolarHBondContact O-N 3.03Å; D52-D54 WeakPolarHBondContact OD1-CB 3.2Å; D52-D54 PolarHBondContact OD1-N 3.24Å; D52-R117 VanDerWaalsContact O-CZ 3.24Å; D52-R117 PolarHBondContact O-NH1 2.72Å; D52-R117 PolarHBondContact O-NH2 2.77Å |
| 53 | P | 86.5 | Confident | 92 | Very high | 123 Ų | 123 | 39.3 Ų | 39.3 | 80% | 0.799 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -55.2 | -35.8 | 169 | 23.5 | -34.6 | 0 | 0 | 0 | 111.7 | P55 | P53-P55 WeakPolarHBondContact O-CD 3.43Š|
| 54 | D | 90.2 | Very high | 92.3 | Very high | 84 Ų | 84 | 40 Ų | 40 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | | | trans | -73.2 | 120.6 | 172.7 | -170.7 | -14.1 | 0 | 0 | 0 | 110.3 | D52 V56 | D52-D54 WeakPolarHBondContact CB-O 3.4Å; D52-D54 PolarHBondContact O-N 3.03Å; D52-D54 WeakPolarHBondContact OD1-CB 3.2Å; D52-D54 PolarHBondContact OD1-N 3.24Å; D54-V56 VanDerWaalsContact OD1-CB 3.27Å; D54-V56 WeakPolarHBondContact OD1-CB 3.17Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.24Å; D54-V56 PolarHBondContact OD1-N 3.34Å |
| 55 | P | 90 | Very high | 92.5 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 14% | 0.136 | 21% | 0.209 | C | C | . | . | | | trans | -86.1 | -4.1 | 177.1 | 28.6 | -22.1 | 0 | 0 | 0 | 114 | P53 A57 F58 C59 H110 | P53-P55 WeakPolarHBondContact O-CD 3.43Å; P55-A57 VanDerWaalsContact C-N 3.34Å; P55-A57 PolarHBondContact O-N 3.03Å; P55-F58 HydrophobicContact CB-CD1 4.49Å; P55-F58 CarbonylContact O-C 3.08Å; P55-F58 WeakPolarHBondContact O-CA 3.47Å; P55-F58 WeakPolarHBondContact O-CB 3.26Å; P55-F58 PolarHBondContact O-N 3.34Å; P55-C59 PolarHBondContact O-N 2.81Å; P55-C59 PolarHBondContact O-SG 3.1Å; P55-C59 VanDerWaalsContact O-SG 3.4Å; P55-H110 HydrophobicContact CB-CB 4.06Å; P55-H110 HydrophobicContact CG-CB 3.37Å |
| 56 | V | 93.1 | Very high | 92.7 | Very high | 77 Ų | 77 | 39.1 Ų | 39.1 | 47% | 0.467 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -50.8 | -48.5 | -174.1 | 163.5 | 0 | 0 | 0 | 0 | 112.7 | D54 F58 C59 D60 M78 | D54-V56 VanDerWaalsContact OD1-CB 3.27Å; D54-V56 WeakPolarHBondContact OD1-CB 3.17Å; D54-V56 WeakPolarHBondContact OD1-CG2 3.24Å; D54-V56 PolarHBondContact OD1-N 3.34Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 3.06Å; V56-C59 PolarHBondContact O-N 2.93Å; V56-D60 PolarHBondContact O-N 3.06Å; V56-M78 HydrophobicContact CG1-CE 4.38Å; V56-M78 HydrophobicContact CG1-SD 4Å |
| 57 | A | 91.9 | Very high | 92.7 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 37% | 0.372 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.8 | -27.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K48 V49 P55 L61 | K48-A57 WeakPolarHBondContact O-CB 3.33Å; V49-A57 HydrophobicContact CG2-CB 4.4Å; P55-A57 VanDerWaalsContact C-N 3.34Å; P55-A57 PolarHBondContact O-N 3.03Å; A57-L61 VanDerWaalsContact O-CB 3.25Å; A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.46Å |
| 58 | F | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81.6 | -34 | 173.9 | 164.5 | -114.9 | 0 | 0 | 0 | 112.1 | V49 P55 V56 L61 A62 V109 L112 R117 L120 L121 | V49-F58 HydrophobicContact CG1-CB 3.96Å; V49-F58 HydrophobicContact CG1-CD2 4.31Å; P55-F58 HydrophobicContact CB-CD1 4.49Å; P55-F58 CarbonylContact O-C 3.08Å; P55-F58 WeakPolarHBondContact O-CA 3.47Å; P55-F58 WeakPolarHBondContact O-CB 3.26Å; P55-F58 PolarHBondContact O-N 3.34Å; V56-F58 VanDerWaalsContact C-N 3.26Å; V56-F58 PolarHBondContact O-N 3.06Å; F58-L61 PolarHBondContact O-N 3.35Å; F58-A62 WeakPolarHBondContact O-CB 3.41Å; F58-A62 PolarHBondContact O-N 3.27Å; F58-V109 HydrophobicContact CD1-CG1 3.81Å; F58-V109 HydrophobicContact CE1-CG1 3.29Å; F58-V109 HydrophobicContact CZ-CG1 4.01Å; F58-L112 HydrophobicContact CE1-CB 4.5Å; F58-L112 HydrophobicContact CE1-CD1 4.26Å; F58-L112 HydrophobicContact CZ-CD1 4.24Å; F58-R117 HydrophobicContact CD1-CB 4.4Å; F58-R117 HydrophobicContact CD1-CG 3.84Å; F58-R117 HydrophobicContact CD2-CB 4.07Å; F58-R117 HydrophobicContact CD2-CG 4.39Å; F58-R117 HydrophobicContact CE1-CB 4.01Å; F58-R117 HydrophobicContact CE1-CG 3.52Å; F58-R117 HydrophobicContact CE2-CB 3.68Å; F58-R117 HydrophobicContact CE2-CG 4.14Å; F58-R117 HydrophobicContact CG-CB 4.41Å; F58-R117 HydrophobicContact CG-CG 4.26Å; F58-R117 HydrophobicContact CZ-CB 3.65Å; F58-R117 HydrophobicContact CZ-CG 3.69Å; F58-L120 HydrophobicContact CE2-CD2 4.39Å; F58-L120 HydrophobicContact CZ-CB 4.3Å; F58-L120 HydrophobicContact CZ-CD2 3.74Å; F58-L121 HydrophobicContact CD2-CD1 4.44Å; F58-L121 HydrophobicContact CD2-CD2 4.27Å; F58-L121 HydrophobicContact CD2-CG 4.3Å; F58-L121 HydrophobicContact CE2-CD2 4.12Å; F58-L121 HydrophobicContact CE2-CG 4Å |
| 59 | C | 95.2 | Very high | 93 | Very high | 14 Ų | 14 | 34.8 Ų | 34.8 | 10% | 0.095 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.5 | -46.2 | 174.4 | -69.6 | 0 | 0 | 0 | 0 | 111.9 | P55 V56 L61 A62 A63 M78 L81 | P55-C59 PolarHBondContact O-N 2.81Å; P55-C59 PolarHBondContact O-SG 3.1Å; P55-C59 VanDerWaalsContact O-SG 3.4Å; V56-C59 PolarHBondContact O-N 2.93Å; C59-L61 VanDerWaalsContact C-N 3.34Å; C59-L61 PolarHBondContact O-N 2.74Å; C59-A62 PolarHBondContact O-N 3.27Å; C59-A63 WeakPolarHBondContact O-CB 3.22Å; C59-A63 PolarHBondContact O-N 3.35Å; C59-M78 HydrophobicContact CB-CB 4.33Å; C59-M78 HydrophobicContact CB-CG 4.08Å; C59-M78 HydrophobicContact CB-SD 4.23Å; C59-L81 HydrophobicContact CB-CD2 3.69Å; C59-L81 WeakPolarHBondContact O-CD2 3.36Å |
| 60 | D | 93.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.1 | 174.7 | 40 | 0 | 0 | 0 | 111.1 | V56 A62 A63 R64 M78 | V56-D60 PolarHBondContact O-N 3.06Å; D60-A62 PolarHBondContact O-N 3.44Å; D60-A63 PolarHBondContact O-N 2.68Å; D60-R64 VanDerWaalsContact CG-NE 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 3.33Å; D60-R64 IonicContact OD1-CZ 3.46Å; D60-R64 IonicContact OD1-NE 3.44Å; D60-R64 PolarHBondContact OD1-NE 3.05Å; D60-R64 IonicContact OD1-NH2 2.67Å; D60-R64 PolarHBondContact OD1-NH2 2.98Å; D60-R64 IonicContact OD2-CZ 2.68Å; D60-R64 VanDerWaalsContact OD2-CZ 3.25Å; D60-R64 IonicContact OD2-NE 3.1Å; D60-R64 PolarHBondContact OD2-NE 3.03Å; D60-R64 VanDerWaalsContact OD2-NE 3.13Å; D60-R64 IonicContact OD2-NH2 2.63Å; D60-R64 PolarHBondContact OD2-NH2 2.82Å; D60-M78 HydrophobicContact CB-CG 4.24Å; D60-M78 HydrophobicContact CB-SD 3.81Å |
| 61 | L | 93.5 | Very high | 92.7 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56 | -50.2 | 177 | -178.3 | 59.5 | 0 | 0 | 0 | 112.5 | F28 F37 V49 A57 F58 C59 R64 I65 L121 | F28-L61 HydrophobicContact CD1-CD1 4.37Å; F28-L61 HydrophobicContact CE1-CD1 3.58Å; F28-L61 HydrophobicContact CE1-CG 4.48Å; F28-L61 HydrophobicContact CE2-CD2 4.36Å; F28-L61 HydrophobicContact CZ-CD1 3.69Å; F28-L61 HydrophobicContact CZ-CD2 3.94Å; F28-L61 HydrophobicContact CZ-CG 4.17Å; F37-L61 HydrophobicContact CD1-CD1 4.18Å; F37-L61 HydrophobicContact CE1-CD1 3.31Å; F37-L61 HydrophobicContact CE2-CD1 3.96Å; F37-L61 HydrophobicContact CZ-CD1 3.22Å; V49-L61 HydrophobicContact CG1-CD2 3.45Å; V49-L61 VanDerWaalsContact CG1-CD2 3.45Å; A57-L61 VanDerWaalsContact O-CB 3.25Å; A57-L61 WeakPolarHBondContact O-CB 3.36Å; A57-L61 PolarHBondContact O-N 3.46Å; F58-L61 PolarHBondContact O-N 3.35Å; C59-L61 VanDerWaalsContact C-N 3.34Å; C59-L61 PolarHBondContact O-N 2.74Å; L61-R64 PolarHBondContact O-N 3.46Å; L61-I65 HydrophobicContact CD1-CD1 4.46Å; L61-I65 WeakPolarHBondContact O-CG1 3.11Å; L61-I65 PolarHBondContact O-N 2.85Å; L61-L121 HydrophobicContact CD2-CD1 3.68Å; L61-L121 HydrophobicContact CD2-CD2 3.74Å; L61-L121 HydrophobicContact CD2-CG 4.38Å; L61-L121 HydrophobicContact CG-CD2 3.85Å |
| 62 | A | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F58 C59 D60 R64 I65 L66 L81 L124 | F58-A62 WeakPolarHBondContact O-CB 3.41Å; F58-A62 PolarHBondContact O-N 3.27Å; C59-A62 PolarHBondContact O-N 3.27Å; D60-A62 PolarHBondContact O-N 3.44Å; A62-R64 PolarHBondContact O-N 2.79Å; A62-I65 PolarHBondContact O-N 3.44Å; A62-L66 PolarHBondContact O-N 3.31Å; A62-L81 HydrophobicContact CB-CD1 4Å; A62-L81 HydrophobicContact CB-CD2 4.14Å; A62-L124 HydrophobicContact CB-CD1 4.03Å |
| 63 | A | 95.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C59 D60 R67 I76 L81 | C59-A63 WeakPolarHBondContact O-CB 3.22Å; C59-A63 PolarHBondContact O-N 3.35Å; D60-A63 PolarHBondContact O-N 2.68Å; A63-R67 WeakPolarHBondContact O-CB 3.14Å; A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 2.89Å; A63-I76 HydrophobicContact CB-CG2 4.46Å; A63-L81 HydrophobicContact CB-CD1 4.12Å |
| 64 | R | 94.1 | Very high | 92.8 | Very high | 66 Ų | 66 | 46.5 Ų | 46.5 | 25% | 0.249 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | 173.7 | -69.2 | -175.8 | -154.8 | -158.7 | 4.6 | 112.9 | F35 R36 F37 D60 L61 A62 F68 | F35-R64 PolarHBondContact O-NH1 2.84Å; R36-R64 PolarHBondContact O-NH1 2.85Å; F37-R64 HydrophobicContact CE1-CB 4.45Å; F37-R64 HydrophobicContact CZ-CB 4.39Å; D60-R64 VanDerWaalsContact CG-NE 3.33Å; D60-R64 WeakPolarHBondContact O-CG 3.28Å; D60-R64 PolarHBondContact O-N 3.33Å; D60-R64 IonicContact OD1-CZ 3.46Å; D60-R64 IonicContact OD1-NE 3.44Å; D60-R64 PolarHBondContact OD1-NE 3.05Å; D60-R64 IonicContact OD1-NH2 2.67Å; D60-R64 PolarHBondContact OD1-NH2 2.98Å; D60-R64 IonicContact OD2-CZ 2.68Å; D60-R64 VanDerWaalsContact OD2-CZ 3.25Å; D60-R64 IonicContact OD2-NE 3.1Å; D60-R64 PolarHBondContact OD2-NE 3.03Å; D60-R64 VanDerWaalsContact OD2-NE 3.13Å; D60-R64 IonicContact OD2-NH2 2.63Å; D60-R64 PolarHBondContact OD2-NH2 2.82Å; L61-R64 PolarHBondContact O-N 3.46Å; A62-R64 PolarHBondContact O-N 2.79Å; R64-F68 PolarHBondContact O-N 3.01Å |
| 65 | I | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 176.4 | -60.9 | 164.6 | 0 | 0 | 0 | 110.3 | F28 F35 L61 A62 F68 L69 L121 L124 V128 | F28-I65 HydrophobicContact CE1-CD1 4.2Å; F28-I65 HydrophobicContact CZ-CD1 4.47Å; F35-I65 HydrophobicContact CE1-CB 4.49Å; F35-I65 HydrophobicContact CE1-CG1 4.2Å; F35-I65 HydrophobicContact CZ-CG1 4.42Å; L61-I65 HydrophobicContact CD1-CD1 4.46Å; L61-I65 WeakPolarHBondContact O-CG1 3.11Å; L61-I65 PolarHBondContact O-N 2.85Å; A62-I65 PolarHBondContact O-N 3.44Å; I65-F68 PolarHBondContact O-N 3.27Å; I65-L69 HydrophobicContact CG2-CD1 3.98Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.45Å; I65-L121 HydrophobicContact CD1-CD2 4.21Å; I65-L124 HydrophobicContact CG2-CB 3.93Å; I65-V128 HydrophobicContact CG2-CG2 3.79Å |
| 66 | L | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 174.8 | -80.7 | 174 | 0 | 0 | 0 | 113.6 | A62 F68 L69 N70 I76 L81 A84 L85 F88 L124 | A62-L66 PolarHBondContact O-N 3.31Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.36Å; L66-L69 HydrophobicContact CD2-CD1 4.45Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 PolarHBondContact O-N 2.93Å; L66-N70 PolarHBondContact O-N 2.91Å; L66-N70 PolarHBondContact O-ND2 3.47Å; L66-I76 HydrophobicContact CB-CD1 4.47Å; L66-I76 HydrophobicContact CB-CG2 3.93Å; L66-L81 HydrophobicContact CD1-CD1 3.59Å; L66-A84 HydrophobicContact CD1-CB 4.13Å; L66-L85 HydrophobicContact CD1-CB 4.38Å; L66-L85 HydrophobicContact CD1-CD2 3.42Å; L66-L85 VanDerWaalsContact CD1-CD2 3.42Å; L66-L85 HydrophobicContact CD1-CG 3.46Å; L66-L85 VanDerWaalsContact CD1-CG 3.46Å; L66-L85 HydrophobicContact CD2-CD2 4.15Å; L66-L85 HydrophobicContact CG-CD2 4.12Å; L66-F88 HydrophobicContact CD2-CB 3.91Å; L66-F88 HydrophobicContact CD2-CD1 3.98Å; L66-F88 HydrophobicContact CD2-CD2 4.22Å; L66-F88 HydrophobicContact CD2-CG 3.77Å; L66-L124 HydrophobicContact CD2-CD2 3.79Å; L66-L124 HydrophobicContact CG-CD2 4.02Å |
| 67 | R | 94.4 | Very high | 93.2 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 31% | 0.306 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -53.7 | -53.8 | 173 | -85.2 | -171.5 | -82.2 | 175.7 | -6.2 | 110.9 | A63 L69 N70 H71 D72 D73 I76 | A63-R67 WeakPolarHBondContact O-CB 3.14Å; A63-R67 WeakPolarHBondContact O-CG 3.49Å; A63-R67 PolarHBondContact O-N 2.89Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.24Å; R67-N70 CarbonylContact O-C 3.55Å; R67-N70 VanDerWaalsContact O-C 3.28Å; R67-N70 PolarHBondContact O-N 2.84Å; R67-H71 PolarHBondContact O-N 2.85Å; R67-D72 VanDerWaalsContact O-CA 3.3Å; R67-D72 WeakPolarHBondContact O-CA 3.42Å; R67-D72 PolarHBondContact O-N 2.79Å; R67-D73 VanDerWaalsContact CG-O 3.28Å; R67-D73 WeakPolarHBondContact CG-O 3.32Å; R67-I76 WeakPolarHBondContact CD-O 3.46Å; R67-I76 HydrophobicContact CG-CB 3.67Å; R67-I76 HydrophobicContact CG-CG2 4Å; R67-I76 WeakPolarHBondContact CG-O 3.07Å; R67-I76 PolarHBondContact NE-O 3.03Å |
| 68 | F | 92.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 48 Ų | 48 | 16% | 0.158 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 176.6 | 170.4 | -100.5 | 0 | 0 | 0 | 112.8 | R34 F35 R64 I65 L66 N70 H71 V128 | R34-F68 HydrophobicContact CG-CD2 4.38Å; F35-F68 HydrophobicContact CD1-CB 4.36Å; F35-F68 HydrophobicContact CE1-CB 3.62Å; F35-F68 HydrophobicContact CE1-CD1 4.1Å; F35-F68 AromaticContact CE1-CG 3.92Å; F35-F68 HydrophobicContact CE1-CG 3.92Å; F35-F68 HydrophobicContact CZ-CB 4.46Å; F35-F68 HydrophobicContact CZ-CD1 4.12Å; F35-F68 HydrophobicContact CZ-CG 4.33Å; R64-F68 PolarHBondContact O-N 3.01Å; I65-F68 PolarHBondContact O-N 3.27Å; L66-F68 VanDerWaalsContact C-N 3.34Å; L66-F68 PolarHBondContact O-N 3.36Å; F68-N70 PolarHBondContact O-N 2.93Å; F68-H71 PolarHBondContact O-N 3.09Å; F68-V128 HydrophobicContact CD1-CG1 4.31Å; F68-V128 HydrophobicContact CD1-CG2 4.02Å; F68-V128 HydrophobicContact CE1-CG1 3.97Å; F68-V128 HydrophobicContact CE1-CG2 4.2Å |
| 69 | L | 92.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 8% | 0.079 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -17.6 | 177 | -75.6 | 168.4 | 0 | 0 | 0 | 114.4 | I65 L66 R67 F88 L124 V128 E131 | I65-L69 HydrophobicContact CG2-CD1 3.98Å; I65-L69 WeakPolarHBondContact O-CG 3.47Å; I65-L69 PolarHBondContact O-N 3.45Å; L66-L69 HydrophobicContact CD2-CD1 4.45Å; L66-L69 CarbonylContact O-C 3.58Å; L66-L69 PolarHBondContact O-N 2.93Å; R67-L69 VanDerWaalsContact C-N 3.31Å; R67-L69 PolarHBondContact O-N 3.24Å; L69-F88 HydrophobicContact CB-CE2 3.77Å; L69-F88 HydrophobicContact CB-CZ 4.1Å; L69-F88 HydrophobicContact CD1-CE1 4.22Å; L69-F88 HydrophobicContact CD1-CE2 4.31Å; L69-F88 HydrophobicContact CD1-CZ 3.81Å; L69-F88 HydrophobicContact CD2-CZ 4.2Å; L69-F88 HydrophobicContact CG-CE2 4.44Å; L69-F88 HydrophobicContact CG-CZ 4.27Å; L69-L124 HydrophobicContact CD1-CD2 4.1Å; L69-V128 HydrophobicContact CD1-CG2 4.06Å; L69-V128 HydrophobicContact CD2-CB 4.46Å; L69-V128 HydrophobicContact CD2-CG2 3.69Å; L69-V128 HydrophobicContact CG-CG2 3.79Å; L69-E131 HydrophobicContact CD2-CB 4.29Å; L69-E131 HydrophobicContact CD2-CG 4.24Å |
| 70 | N | 90.9 | Very high | 93 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 37 | 176.8 | -63.1 | -90.6 | 0 | 0 | 0 | 110.9 | L66 R67 F68 D72 D73 I76 | L66-N70 PolarHBondContact O-N 2.91Å; L66-N70 PolarHBondContact O-ND2 3.47Å; R67-N70 CarbonylContact O-C 3.55Å; R67-N70 VanDerWaalsContact O-C 3.28Å; R67-N70 PolarHBondContact O-N 2.84Å; F68-N70 PolarHBondContact O-N 2.93Å; N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 3.04Å; N70-D73 HydrophobicContact CB-CB 4.19Å; N70-D73 WeakPolarHBondContact O-CB 3.15Å; N70-D73 PolarHBondContact O-N 3.49Å; N70-I76 HydrophobicContact CB-CD1 3.76Å |
| 71 | H | 89.7 | Confident | 93.1 | Very high | 181 Ų | 181 | 51.6 Ų | 51.6 | 84% | 0.838 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 41.6 | 175.1 | -54.2 | -64.8 | 0 | 0 | 0 | 114.8 | R67 F68 D73 | R67-H71 PolarHBondContact O-N 2.85Å; F68-H71 PolarHBondContact O-N 3.09Å; H71-D73 VanDerWaalsContact C-N 3.35Å; H71-D73 PolarHBondContact O-N 3.04Å |
| 72 | D | 88 | Confident | 93.2 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 59% | 0.594 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 29.1 | 178.2 | -61.1 | -51.4 | 0 | 0 | 0 | 115.2 | R67 N70 P74 | R67-D72 VanDerWaalsContact O-CA 3.3Å; R67-D72 WeakPolarHBondContact O-CA 3.42Å; R67-D72 PolarHBondContact O-N 2.79Å; N70-D72 VanDerWaalsContact C-N 3.34Å; N70-D72 PolarHBondContact O-N 3.04Å; D72-P74 WeakPolarHBondContact O-CD 3.17Å; D72-P74 VanDerWaalsContact O-N 3.15Å |
| 73 | D | 91.4 | Very high | 93.1 | Very high | 43 Ų | 43 | 58.6 Ų | 58.6 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | | | trans | -45.1 | 111.6 | 173.9 | 177.2 | 8.3 | 0 | 0 | 0 | 113.2 | R67 N70 H71 D75 I76 | R67-D73 VanDerWaalsContact CG-O 3.28Å; R67-D73 WeakPolarHBondContact CG-O 3.32Å; N70-D73 HydrophobicContact CB-CB 4.19Å; N70-D73 WeakPolarHBondContact O-CB 3.15Å; N70-D73 PolarHBondContact O-N 3.49Å; H71-D73 VanDerWaalsContact C-N 3.35Å; H71-D73 PolarHBondContact O-N 3.04Å; D73-D75 PolarHBondContact O-N 3.16Å; D73-D75 WeakPolarHBondContact OD1-CB 3.12Å; D73-D75 PolarHBondContact OD1-N 2.75Å; D73-I76 HydrophobicContact CB-CD1 4Å; D73-I76 HydrophobicContact CB-CG1 4.2Å; D73-I76 PolarHBondContact O-N 3.45Å; D73-I76 WeakPolarHBondContact OD2-CG1 3.3Å |
| 74 | P | 90.7 | Very high | 93 | Very high | 107 Ų | 107 | 58.7 Ų | 58.7 | 70% | 0.695 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -19.9 | -177.2 | 29.5 | -35.9 | 0 | 0 | 0 | 113.7 | D72 I76 | D72-P74 WeakPolarHBondContact O-CD 3.17Å; D72-P74 VanDerWaalsContact O-N 3.15Å; P74-I76 PolarHBondContact O-N 3.21Å |
| 75 | D | 92.3 | Very high | 93 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 58% | 0.578 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | -11.6 | -179.4 | -71.8 | -8.7 | 0 | 0 | 0 | 112.4 | D73 C77 T80 | D73-D75 PolarHBondContact O-N 3.16Å; D73-D75 WeakPolarHBondContact OD1-CB 3.12Å; D73-D75 PolarHBondContact OD1-N 2.75Å; D75-C77 PolarHBondContact O-N 2.85Å; D75-T80 WeakPolarHBondContact O-CB 3.29Å; D75-T80 PolarHBondContact O-OG1 3.23Å |
| 76 | I | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | | | trans | -86.5 | 89.8 | 176.1 | -57.5 | 176.1 | 0 | 0 | 0 | 110 | A63 L66 R67 N70 D73 P74 A84 | A63-I76 HydrophobicContact CB-CG2 4.46Å; L66-I76 HydrophobicContact CB-CD1 4.47Å; L66-I76 HydrophobicContact CB-CG2 3.93Å; R67-I76 WeakPolarHBondContact CD-O 3.46Å; R67-I76 HydrophobicContact CG-CB 3.67Å; R67-I76 HydrophobicContact CG-CG2 4Å; R67-I76 WeakPolarHBondContact CG-O 3.07Å; R67-I76 PolarHBondContact NE-O 3.03Å; N70-I76 HydrophobicContact CB-CD1 3.76Å; D73-I76 HydrophobicContact CB-CD1 4Å; D73-I76 HydrophobicContact CB-CG1 4.2Å; D73-I76 PolarHBondContact O-N 3.45Å; D73-I76 WeakPolarHBondContact OD2-CG1 3.3Å; P74-I76 PolarHBondContact O-N 3.21Å; I76-A84 HydrophobicContact CB-CB 4.33Å; I76-A84 HydrophobicContact CD1-CB 4.11Å; I76-A84 HydrophobicContact CG1-CB 3.83Å; I76-A84 HydrophobicContact CG2-CB 3.76Å |
| 77 | C | 94.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 37% | 0.365 | 34% | 0.341 | S | S | . | . | | | trans | -113.4 | -179.5 | 174 | 74.2 | 0 | 0 | 0 | 0 | 110.8 | D75 A79 T80 L81 | D75-C77 PolarHBondContact O-N 2.85Å; C77-A79 PolarHBondContact O-N 2.89Å; C77-T80 PolarHBondContact N-OG1 3.47Å; C77-T80 PolarHBondContact O-N 3.15Å; C77-T80 PolarHBondContact O-OG1 2.57Å; C77-T80 PolarHBondContact SG-OG1 3.39Å; C77-L81 PolarHBondContact O-N 3.18Å |
| 78 | M | 92.7 | Very high | 92.3 | Very high | 94 Ų | 94 | 60.9 Ų | 60.9 | 46% | 0.463 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -31.2 | 178.6 | -67.4 | -170.8 | -73.2 | 0 | 0 | 113.4 | V56 C59 D60 L81 | V56-M78 HydrophobicContact CG1-CE 4.38Å; V56-M78 HydrophobicContact CG1-SD 4Å; C59-M78 HydrophobicContact CB-CB 4.33Å; C59-M78 HydrophobicContact CB-CG 4.08Å; C59-M78 HydrophobicContact CB-SD 4.23Å; D60-M78 HydrophobicContact CB-CG 4.24Å; D60-M78 HydrophobicContact CB-SD 3.81Å; M78-L81 WeakPolarHBondContact O-CB 3.37Å |
| 79 | A | 92.3 | Very high | 92.1 | Very high | 94 Ų | 94 | 59.8 Ų | 59.8 | 78% | 0.777 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -30.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C77 | C77-A79 PolarHBondContact O-N 2.89Š|
| 80 | T | 94.8 | Very high | 91.7 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 22% | 0.221 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -3.8 | 176.9 | 55.7 | 0 | 0 | 0 | 0 | 112.9 | D75 C77 D82 Q83 A84 | D75-T80 WeakPolarHBondContact O-CB 3.29Å; D75-T80 PolarHBondContact O-OG1 3.23Å; C77-T80 PolarHBondContact N-OG1 3.47Å; C77-T80 PolarHBondContact O-N 3.15Å; C77-T80 PolarHBondContact O-OG1 2.57Å; C77-T80 PolarHBondContact SG-OG1 3.39Å; T80-D82 PolarHBondContact O-N 3.22Å; T80-Q83 CarbonylContact O-C 3.36Å; T80-Q83 WeakPolarHBondContact O-CA 3.15Å; T80-Q83 WeakPolarHBondContact O-CB 3.35Å; T80-Q83 PolarHBondContact O-N 3.48Å; T80-A84 PolarHBondContact O-N 3.37Å |
| 81 | L | 95.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -51.3 | -46.3 | -173.7 | 175.7 | 61.3 | 0 | 0 | 0 | 114.3 | C59 A62 A63 L66 C77 M78 Q83 A84 L85 V109 | C59-L81 HydrophobicContact CB-CD2 3.69Å; C59-L81 WeakPolarHBondContact O-CD2 3.36Å; A62-L81 HydrophobicContact CB-CD1 4Å; A62-L81 HydrophobicContact CB-CD2 4.14Å; A63-L81 HydrophobicContact CB-CD1 4.12Å; L66-L81 HydrophobicContact CD1-CD1 3.59Å; C77-L81 PolarHBondContact O-N 3.18Å; M78-L81 WeakPolarHBondContact O-CB 3.37Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-Q83 PolarHBondContact O-N 3.45Å; L81-A84 PolarHBondContact O-N 2.92Å; L81-L85 HydrophobicContact CD1-CD1 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.25Å; L81-L85 HydrophobicContact CG-CD1 4.22Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 2.99Å; L81-V109 HydrophobicContact CD2-CB 4.22Å; L81-V109 HydrophobicContact CD2-CG1 3.87Å; L81-V109 HydrophobicContact CD2-CG2 4.17Å; L81-V109 HydrophobicContact CG-CG2 4.17Å |
| 82 | D | 95.3 | Very high | 89.7 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 177.8 | -89 | -68.6 | 0 | 0 | 0 | 110.9 | T80 A84 L85 D86 R104 L108 V109 | T80-D82 PolarHBondContact O-N 3.22Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-L85 PolarHBondContact O-N 2.96Å; D82-D86 PolarHBondContact O-N 3.46Å; D82-R104 PolarHBondContact O-NH2 3.19Å; D82-R104 IonicContact OD1-CZ 3.25Å; D82-R104 IonicContact OD1-NE 2.75Å; D82-R104 IonicContact OD1-NH2 3.13Å; D82-R104 PolarHBondContact OD1-NH2 3.43Å; D82-L108 HydrophobicContact CB-CD2 4.12Å; D82-L108 VanDerWaalsContact OD1-CA 3.23Å; D82-L108 WeakPolarHBondContact OD1-CA 3.41Å; D82-V109 WeakPolarHBondContact OD1-CG2 3.03Å; D82-V109 PolarHBondContact OD1-N 2.83Å; D82-V109 PolarHBondContact OD2-N 3.4Å |
| 83 | Q | 93.1 | Very high | 88.5 | Confident | 126 Ų | 126 | 69.9 Ų | 69.9 | 59% | 0.589 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -67.1 | -33.8 | 176.2 | -56.4 | 178 | 3.5 | 0 | 0 | 112.5 | T80 L81 D86 R87 | T80-Q83 CarbonylContact O-C 3.36Å; T80-Q83 WeakPolarHBondContact O-CA 3.15Å; T80-Q83 WeakPolarHBondContact O-CB 3.35Å; T80-Q83 PolarHBondContact O-N 3.48Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-Q83 PolarHBondContact O-N 3.45Å; Q83-D86 PolarHBondContact O-N 3.42Å; Q83-R87 WeakPolarHBondContact O-CB 3.45Å; Q83-R87 VanDerWaalsContact O-CG 3.31Å; Q83-R87 WeakPolarHBondContact O-CG 3.38Å; Q83-R87 PolarHBondContact O-N 2.91Å |
| 84 | A | 93.5 | Very high | 87.8 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L66 I76 T80 L81 D82 F88 | L66-A84 HydrophobicContact CD1-CB 4.13Å; I76-A84 HydrophobicContact CB-CB 4.33Å; I76-A84 HydrophobicContact CD1-CB 4.11Å; I76-A84 HydrophobicContact CG1-CB 3.83Å; I76-A84 HydrophobicContact CG2-CB 3.76Å; T80-A84 PolarHBondContact O-N 3.37Å; L81-A84 PolarHBondContact O-N 2.92Å; D82-A84 VanDerWaalsContact C-N 3.35Å; D82-A84 PolarHBondContact O-N 3.09Å; A84-F88 VanDerWaalsContact O-CB 3.26Å; A84-F88 WeakPolarHBondContact O-CB 3.47Å; A84-F88 PolarHBondContact O-N 3.5Å |
| 85 | L | 93.9 | Very high | 87.5 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 171.9 | -76 | 166.6 | 0 | 0 | 0 | 111.9 | L66 L81 D82 A89 M100 V109 L120 L124 | L66-L85 HydrophobicContact CD1-CB 4.38Å; L66-L85 HydrophobicContact CD1-CD2 3.42Å; L66-L85 VanDerWaalsContact CD1-CD2 3.42Å; L66-L85 HydrophobicContact CD1-CG 3.46Å; L66-L85 VanDerWaalsContact CD1-CG 3.46Å; L66-L85 HydrophobicContact CD2-CD2 4.15Å; L66-L85 HydrophobicContact CG-CD2 4.12Å; L81-L85 HydrophobicContact CD1-CD1 4.16Å; L81-L85 HydrophobicContact CD1-CG 4.25Å; L81-L85 HydrophobicContact CG-CD1 4.22Å; L81-L85 WeakPolarHBondContact O-CG 3.39Å; L81-L85 PolarHBondContact O-N 2.99Å; D82-L85 PolarHBondContact O-N 2.96Å; L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.36Å; L85-M100 HydrophobicContact CD2-SD 4.39Å; L85-V109 HydrophobicContact CD1-CG2 3.2Å; L85-L120 HydrophobicContact CD1-CD2 4.14Å; L85-L124 HydrophobicContact CD2-CD2 4.18Å |
| 86 | D | 91.5 | Very high | 87.2 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 36% | 0.358 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67 | -45.3 | 176.7 | -72.2 | -47.2 | 0 | 0 | 0 | 111.6 | D82 Q83 A89 I90 R104 | D82-D86 PolarHBondContact O-N 3.46Å; Q83-D86 PolarHBondContact O-N 3.42Å; D86-A89 PolarHBondContact O-N 3.49Å; D86-I90 WeakPolarHBondContact O-CD1 3.24Å; D86-I90 WeakPolarHBondContact O-CG1 3.42Å; D86-I90 PolarHBondContact O-N 3.35Å; D86-I90 VanDerWaalsContact O-N 3.09Å; D86-R104 IonicContact OD1-CZ 3.36Å; D86-R104 IonicContact OD1-NH1 3.58Å; D86-R104 PolarHBondContact OD1-NH1 2.93Å; D86-R104 IonicContact OD1-NH2 2.76Å; D86-R104 IonicContact OD2-CZ 2.83Å; D86-R104 IonicContact OD2-NH1 2.72Å; D86-R104 PolarHBondContact OD2-NH1 2.76Å; D86-R104 IonicContact OD2-NH2 3.45Å; D86-R104 PolarHBondContact OD2-NH2 2.85Å |
| 87 | R | 89.3 | Confident | 86.6 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 46% | 0.464 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.2 | -51 | 171.9 | -73.8 | -176.4 | -68.5 | 176.2 | 6.7 | 111.5 | Q83 A89 I90 D91 | Q83-R87 WeakPolarHBondContact O-CB 3.45Å; Q83-R87 VanDerWaalsContact O-CG 3.31Å; Q83-R87 WeakPolarHBondContact O-CG 3.38Å; Q83-R87 PolarHBondContact O-N 2.91Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 2.68Å; R87-I90 PolarHBondContact O-N 2.81Å; R87-I90 VanDerWaalsContact O-N 3.15Å; R87-D91 WeakPolarHBondContact O-CB 3.39Å; R87-D91 PolarHBondContact O-N 3.25Å; R87-D91 VanDerWaalsContact O-N 3.09Å |
| 88 | F | 90.2 | Very high | 86.1 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 0% | 0.004 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 179 | -171.1 | -99.7 | 0 | 0 | 0 | 112.6 | L66 L69 A84 I90 R97 M100 | L66-F88 HydrophobicContact CD2-CB 3.91Å; L66-F88 HydrophobicContact CD2-CD1 3.98Å; L66-F88 HydrophobicContact CD2-CD2 4.22Å; L66-F88 HydrophobicContact CD2-CG 3.77Å; L69-F88 HydrophobicContact CB-CE2 3.77Å; L69-F88 HydrophobicContact CB-CZ 4.1Å; L69-F88 HydrophobicContact CD1-CE1 4.22Å; L69-F88 HydrophobicContact CD1-CE2 4.31Å; L69-F88 HydrophobicContact CD1-CZ 3.81Å; L69-F88 HydrophobicContact CD2-CZ 4.2Å; L69-F88 HydrophobicContact CG-CE2 4.44Å; L69-F88 HydrophobicContact CG-CZ 4.27Å; A84-F88 VanDerWaalsContact O-CB 3.26Å; A84-F88 WeakPolarHBondContact O-CB 3.47Å; A84-F88 PolarHBondContact O-N 3.5Å; F88-I90 VanDerWaalsContact C-N 3.31Å; F88-I90 PolarHBondContact O-N 2.93Å; F88-R97 HydrophobicContact CD1-CG 3.89Å; F88-R97 HydrophobicContact CE1-CG 3.62Å; F88-R97 VanDerWaalsContact CE2-CZ 3.46Å; F88-R97 HydrophobicContact CZ-CG 4.43Å; F88-R97 VanDerWaalsContact CZ-CZ 3.5Å; F88-R97 VanDerWaalsContact CZ-NE 3.34Å; F88-R97 VanDerWaalsContact O-CD 3.28Å; F88-R97 WeakPolarHBondContact O-CD 3.25Å; F88-R97 PolarHBondContact O-NH1 2.88Å; F88-M100 HydrophobicContact CD1-CE 3.67Å; F88-M100 HydrophobicContact CE1-CE 3.65Å |
| 89 | A | 88.3 | Confident | 85.9 | Confident | 12 Ų | 12 | 65 Ų | 65 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -76.7 | -15.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L85 D86 R87 Q101 | L85-A89 WeakPolarHBondContact O-CB 3.35Å; L85-A89 PolarHBondContact O-N 3.36Å; D86-A89 PolarHBondContact O-N 3.49Å; R87-A89 VanDerWaalsContact C-N 3.32Å; R87-A89 PolarHBondContact O-N 2.68Å; A89-Q101 HydrophobicContact CB-CG 3.72Å; A89-Q101 PolarHBondContact O-NE2 2.78Å |
| 90 | I | 84.3 | Confident | 85.7 | Confident | 131 Ų | 131 | 60.7 Ų | 60.7 | 67% | 0.672 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -87.7 | -42.1 | 175 | -71.1 | 164.1 | 0 | 0 | 0 | 111.4 | D86 R87 F88 K92 | D86-I90 WeakPolarHBondContact O-CD1 3.24Å; D86-I90 WeakPolarHBondContact O-CG1 3.42Å; D86-I90 PolarHBondContact O-N 3.35Å; D86-I90 VanDerWaalsContact O-N 3.09Å; R87-I90 PolarHBondContact O-N 2.81Å; R87-I90 VanDerWaalsContact O-N 3.15Å; F88-I90 VanDerWaalsContact C-N 3.31Å; F88-I90 PolarHBondContact O-N 2.93Å; I90-K92 PolarHBondContact O-N 2.72Å |
| 91 | D | 74 | Confident | 85.2 | Confident | 107 Ų | 107 | 63 Ų | 63 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.3 | -35.5 | -165 | 168.2 | 73.9 | 0 | 0 | 0 | 115.4 | R87 R97 | R87-D91 WeakPolarHBondContact O-CB 3.39Å; R87-D91 PolarHBondContact O-N 3.25Å; R87-D91 VanDerWaalsContact O-N 3.09Å; D91-R97 IonicContact OD2-CZ 2.88Å; D91-R97 IonicContact OD2-NH1 2.72Å; D91-R97 PolarHBondContact OD2-NH1 3.46Å; D91-R97 IonicContact OD2-NH2 3.21Å |
| 92 | K | 63.3 | Low | 84.9 | Confident | 90 Ų | 90 | 71.4 Ų | 71.4 | 39% | 0.391 | 33% | 0.332 | S | S | . | . | | | trans | -138.8 | 144.3 | 172.3 | -54.1 | 178.7 | -160.1 | 167.4 | 0 | 110.8 | I90 T94 R97 E131 | I90-K92 PolarHBondContact O-N 2.72Å; K92-T94 VanDerWaalsContact C-N 3.35Å; K92-T94 HydrophobicContact CB-CG2 4.45Å; K92-T94 PolarHBondContact O-N 2.67Å; K92-R97 VanDerWaalsContact N-NH1 3.15Å; K92-R97 WeakPolarHBondContact O-CD 3.06Å; K92-E131 IonicContact NZ-OE1 3.54Å; K92-E131 PolarHBondContact NZ-OE1 3.39Å; K92-E131 IonicContact NZ-OE2 3.01Å; K92-E131 PolarHBondContact NZ-OE2 2.91Å |
| 93 | R | 63.1 | Low | 84.5 | Confident | 240 Ų | 240 | 73.5 Ų | 73.5 | 91% | 0.906 | 34% | 0.341 | S | S | * | . | | | trans | -88.9 | 53.3 | 178.9 | -67.5 | -172.7 | 177.7 | -177.9 | 1.1 | 113.6 | | |
| 94 | T | 78.1 | Confident | 84.3 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | | | trans | -75.2 | 150.4 | 170.5 | 75.7 | 0 | 0 | 0 | 0 | 110.7 | K92 Y96 R97 I98 | K92-T94 VanDerWaalsContact C-N 3.35Å; K92-T94 HydrophobicContact CB-CG2 4.45Å; K92-T94 PolarHBondContact O-N 2.67Å; T94-Y96 PolarHBondContact O-N 2.96Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 VanDerWaalsContact O-N 3.12Å; T94-R97 WeakPolarHBondContact OG1-CG 3.23Å; T94-R97 PolarHBondContact OG1-N 3.24Å; T94-I98 PolarHBondContact O-N 2.69Å; T94-I98 VanDerWaalsContact O-N 3.1Å |
| 95 | S | 84.1 | Confident | 84 | Confident | 83 Ų | 83 | 74.3 Ų | 74.3 | 58% | 0.58 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -58.4 | -34.4 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | I98 N99 | S95-I98 PolarHBondContact O-N 2.95Å; S95-N99 PolarHBondContact O-N 3.18Å; S95-N99 PolarHBondContact O-ND2 2.6Å |
| 96 | Y | 84.9 | Confident | 83.6 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66 | -45 | 175.2 | -53.5 | -62.3 | 0 | 0 | 0 | 112.1 | T94 I98 N99 M100 E126 S127 D130 | T94-Y96 PolarHBondContact O-N 2.96Å; Y96-I98 VanDerWaalsContact C-N 3.32Å; Y96-I98 PolarHBondContact O-N 3.36Å; Y96-N99 PolarHBondContact O-N 3.48Å; Y96-N99 VanDerWaalsContact O-N 3.14Å; Y96-M100 WeakPolarHBondContact O-CG 3.24Å; Y96-M100 PolarHBondContact O-N 2.99Å; Y96-E126 HydrophobicContact CD1-CB 3.56Å; Y96-E126 HydrophobicContact CD1-CG 4.19Å; Y96-E126 HydrophobicContact CD2-CB 4.26Å; Y96-E126 HydrophobicContact CE1-CB 3.42Å; Y96-E126 VanDerWaalsContact CE1-CB 3.42Å; Y96-E126 HydrophobicContact CE1-CG 3.84Å; Y96-E126 HydrophobicContact CE2-CB 4.13Å; Y96-E126 HydrophobicContact CG-CB 4Å; Y96-S127 WeakPolarHBondContact CB-OG 3.23Å; Y96-D130 HydrophobicContact CD2-CB 4.05Å; Y96-D130 HydrophobicContact CE2-CB 3.91Å |
| 97 | R | 82.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 80 Ų | 80 | 1% | 0.011 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 175 | -73.1 | 171.6 | -175.2 | -140.9 | 16.3 | 111.7 | F88 D91 K92 T94 M100 Q101 E131 | F88-R97 HydrophobicContact CD1-CG 3.89Å; F88-R97 HydrophobicContact CE1-CG 3.62Å; F88-R97 VanDerWaalsContact CE2-CZ 3.46Å; F88-R97 HydrophobicContact CZ-CG 4.43Å; F88-R97 VanDerWaalsContact CZ-CZ 3.5Å; F88-R97 VanDerWaalsContact CZ-NE 3.34Å; F88-R97 VanDerWaalsContact O-CD 3.28Å; F88-R97 WeakPolarHBondContact O-CD 3.25Å; F88-R97 PolarHBondContact O-NH1 2.88Å; D91-R97 IonicContact OD2-CZ 2.88Å; D91-R97 IonicContact OD2-NH1 2.72Å; D91-R97 PolarHBondContact OD2-NH1 3.46Å; D91-R97 IonicContact OD2-NH2 3.21Å; K92-R97 VanDerWaalsContact N-NH1 3.15Å; K92-R97 WeakPolarHBondContact O-CD 3.06Å; T94-R97 PolarHBondContact O-N 2.83Å; T94-R97 VanDerWaalsContact O-N 3.12Å; T94-R97 WeakPolarHBondContact OG1-CG 3.23Å; T94-R97 PolarHBondContact OG1-N 3.24Å; R97-M100 HydrophobicContact CB-CE 4.49Å; R97-M100 HydrophobicContact CG-CE 4.06Å; R97-M100 PolarHBondContact O-N 2.79Å; R97-Q101 PolarHBondContact O-N 3.18Å; R97-E131 IonicContact CZ-OE1 2.9Å; R97-E131 IonicContact NH2-OE1 2.74Å; R97-E131 PolarHBondContact NH2-OE1 2.89Å |
| 98 | I | 84.4 | Confident | 83.7 | Confident | 69 Ų | 69 | 77.7 Ų | 77.7 | 35% | 0.354 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.8 | -43.1 | 173.1 | -63.9 | 170.5 | 0 | 0 | 0 | 111.8 | T94 S95 Y96 M100 Q101 R102 | T94-I98 PolarHBondContact O-N 2.69Å; T94-I98 VanDerWaalsContact O-N 3.1Å; S95-I98 PolarHBondContact O-N 2.95Å; Y96-I98 VanDerWaalsContact C-N 3.32Å; Y96-I98 PolarHBondContact O-N 3.36Å; I98-M100 VanDerWaalsContact C-N 3.33Å; I98-M100 PolarHBondContact O-N 2.79Å; I98-Q101 PolarHBondContact O-N 3.21Å; I98-R102 WeakPolarHBondContact O-CG 3.48Å; I98-R102 PolarHBondContact O-N 3.18Å; I98-R102 VanDerWaalsContact O-N 3.13Å |
| 99 | N | 87.6 | Confident | 83.8 | Confident | 47 Ų | 47 | 77.6 Ų | 77.6 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65 | -35 | 177.4 | -76.4 | -19.7 | 0 | 0 | 0 | 112.2 | S95 Y96 Q101 R102 H103 N123 | S95-N99 PolarHBondContact O-N 3.18Å; S95-N99 PolarHBondContact O-ND2 2.6Å; Y96-N99 PolarHBondContact O-N 3.48Å; Y96-N99 VanDerWaalsContact O-N 3.14Å; N99-Q101 VanDerWaalsContact C-N 3.34Å; N99-Q101 PolarHBondContact O-N 3.27Å; N99-R102 CarbonylContact O-C 3.6Å; N99-R102 WeakPolarHBondContact O-CB 3.33Å; N99-R102 PolarHBondContact O-N 3.32Å; N99-R102 VanDerWaalsContact O-N 3.11Å; N99-H103 PolarHBondContact O-CD2 2.76Å; N99-H103 PolarHBondContact O-N 3.16Å; N99-N123 WeakPolarHBondContact CB-OD1 3.3Å; N99-N123 PolarHBondContact ND2-OD1 3.4Å |
| 100 | M | 87.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 81.3 Ų | 81.3 | 2% | 0.02 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 173.4 | -69.3 | -164.1 | -78.9 | 0 | 0 | 112.6 | L85 F88 Y96 R97 I98 R102 H103 R104 L120 N123 L124 | L85-M100 HydrophobicContact CD2-SD 4.39Å; F88-M100 HydrophobicContact CD1-CE 3.67Å; F88-M100 HydrophobicContact CE1-CE 3.65Å; Y96-M100 WeakPolarHBondContact O-CG 3.24Å; Y96-M100 PolarHBondContact O-N 2.99Å; R97-M100 HydrophobicContact CB-CE 4.49Å; R97-M100 HydrophobicContact CG-CE 4.06Å; R97-M100 PolarHBondContact O-N 2.79Å; I98-M100 VanDerWaalsContact C-N 3.33Å; I98-M100 PolarHBondContact O-N 2.79Å; M100-R102 VanDerWaalsContact C-N 3.33Å; M100-R102 PolarHBondContact O-N 2.85Å; M100-H103 PolarHBondContact O-N 3.49Å; M100-R104 PolarHBondContact O-N 3.15Å; M100-L120 HydrophobicContact CB-CD1 3.89Å; M100-L120 HydrophobicContact CG-CD1 3.81Å; M100-L120 HydrophobicContact SD-CD1 3.97Å; M100-N123 HydrophobicContact CG-CB 3.53Å; M100-N123 HydrophobicContact SD-CB 4.36Å; M100-L124 HydrophobicContact CE-CD2 4.07Å; M100-L124 HydrophobicContact SD-CD2 3.49Å; M100-L124 WeakPolarHBondContact SD-CD2 3.37Å; M100-L124 HydrophobicContact SD-CG 3.57Å; M100-L124 VanDerWaalsContact SD-CG 3.57Å |
| 101 | Q | 85.7 | Confident | 84.3 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 40% | 0.402 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 172.3 | -67.8 | 179.6 | -14 | 0 | 0 | 111.8 | A89 R97 I98 N99 N105 | A89-Q101 HydrophobicContact CB-CG 3.72Å; A89-Q101 PolarHBondContact O-NE2 2.78Å; R97-Q101 PolarHBondContact O-N 3.18Å; I98-Q101 PolarHBondContact O-N 3.21Å; N99-Q101 VanDerWaalsContact C-N 3.34Å; N99-Q101 PolarHBondContact O-N 3.27Å; Q101-N105 PolarHBondContact O-N 3.14Å |
| 102 | R | 88.1 | Confident | 85.2 | Confident | 176 Ų | 176 | 75 Ų | 75 | 66% | 0.664 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | 175.8 | -67.9 | 172.2 | 172.6 | -179.2 | -4.5 | 113.1 | I98 N99 M100 | I98-R102 WeakPolarHBondContact O-CG 3.48Å; I98-R102 PolarHBondContact O-N 3.18Å; I98-R102 VanDerWaalsContact O-N 3.13Å; N99-R102 CarbonylContact O-C 3.6Å; N99-R102 WeakPolarHBondContact O-CB 3.33Å; N99-R102 PolarHBondContact O-N 3.32Å; N99-R102 VanDerWaalsContact O-N 3.11Å; M100-R102 VanDerWaalsContact C-N 3.33Å; M100-R102 PolarHBondContact O-N 2.85Å |
| 103 | H | 86.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 72.6 Ų | 72.6 | 33% | 0.333 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -77.9 | -30 | 178.9 | -68.2 | -55.8 | 0 | 0 | 0 | 113.1 | N99 M100 A119 N123 | N99-H103 PolarHBondContact O-CD2 2.76Å; N99-H103 PolarHBondContact O-N 3.16Å; M100-H103 PolarHBondContact O-N 3.49Å; H103-A119 HydrophobicContact CB-CB 4.42Å; H103-N123 PolarHBondContact CD2-ND2 3.04Å |
| 104 | R | 90 | Very high | 88.2 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 6% | 0.057 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70 | -41.7 | 165.7 | -78.7 | 172.6 | 79.5 | -147.5 | 3.7 | 111.7 | D82 D86 M100 G106 K107 L112 L120 | D82-R104 PolarHBondContact O-NH2 3.19Å; D82-R104 IonicContact OD1-CZ 3.25Å; D82-R104 IonicContact OD1-NE 2.75Å; D82-R104 IonicContact OD1-NH2 3.13Å; D82-R104 PolarHBondContact OD1-NH2 3.43Å; D86-R104 IonicContact OD1-CZ 3.36Å; D86-R104 IonicContact OD1-NH1 3.58Å; D86-R104 PolarHBondContact OD1-NH1 2.93Å; D86-R104 IonicContact OD1-NH2 2.76Å; D86-R104 IonicContact OD2-CZ 2.83Å; D86-R104 IonicContact OD2-NH1 2.72Å; D86-R104 PolarHBondContact OD2-NH1 2.76Å; D86-R104 IonicContact OD2-NH2 3.45Å; D86-R104 PolarHBondContact OD2-NH2 2.85Å; M100-R104 PolarHBondContact O-N 3.15Å; R104-G106 PolarHBondContact O-N 3.46Å; R104-K107 WeakPolarHBondContact O-CB 3.38Å; R104-K107 PolarHBondContact O-N 3.12Å; R104-L112 HydrophobicContact CG-CD1 4.16Å; R104-L112 HydrophobicContact CG-CD2 4.5Å; R104-L120 HydrophobicContact CG-CD1 4.45Å |
| 105 | N | 86.4 | Confident | 88.9 | Confident | 129 Ų | 129 | 64.8 Ų | 64.8 | 69% | 0.69 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 45 | -176.7 | -168.2 | 38.6 | 0 | 0 | 0 | 112.6 | Q101 K107 | Q101-N105 PolarHBondContact O-N 3.14Å; N105-K107 PolarHBondContact O-N 3.04Å |
| 106 | G | 85.6 | Confident | 89.4 | Confident | 82 Ų | 82 | 62 Ų | 62 | 85% | 0.845 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -1.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R104 | R104-G106 PolarHBondContact O-N 3.46Š|
| 107 | K | 91.8 | Very high | 89.9 | Confident | 106 Ų | 106 | 59 Ų | 59 | 46% | 0.461 | 33% | 0.325 | S | S | . | . | | | trans | -82.1 | 145.3 | 175.2 | -59 | -171.1 | 174.4 | -167.2 | 0 | 111.8 | R104 N105 Q111 L112 | R104-K107 WeakPolarHBondContact O-CB 3.38Å; R104-K107 PolarHBondContact O-N 3.12Å; N105-K107 PolarHBondContact O-N 3.04Å; K107-Q111 HydrophobicContact CB-CB 4.29Å; K107-Q111 HydrophobicContact CD-CB 4.5Å; K107-L112 HydrophobicContact CB-CD2 4.04Å |
| 108 | L | 92.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 59 Ų | 59 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | | | trans | -66.4 | 149.3 | 171.1 | -57.8 | 174.7 | 0 | 0 | 0 | 110.3 | D82 H110 Q111 | D82-L108 HydrophobicContact CB-CD2 4.12Å; D82-L108 VanDerWaalsContact OD1-CA 3.23Å; D82-L108 WeakPolarHBondContact OD1-CA 3.41Å; L108-H110 VanDerWaalsContact CB-CE1 3.41Å; L108-H110 WeakPolarHBondContact CB-CE1 3.38Å; L108-H110 VanDerWaalsContact CD1-CE1 3.4Å; L108-H110 WeakPolarHBondContact CD1-CE1 3.43Å; L108-H110 PolarHBondContact O-N 2.81Å; L108-H110 VanDerWaalsContact O-N 3.11Å; L108-Q111 HydrophobicContact CB-CG 4.36Å; L108-Q111 WeakPolarHBondContact O-CB 3.33Å; L108-Q111 PolarHBondContact O-N 2.96Å |
| 109 | V | 91.9 | Very high | 91 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -53.8 | -38.3 | -173.5 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | F58 L81 D82 L85 Q111 L112 L120 | F58-V109 HydrophobicContact CD1-CG1 3.81Å; F58-V109 HydrophobicContact CE1-CG1 3.29Å; F58-V109 HydrophobicContact CZ-CG1 4.01Å; L81-V109 HydrophobicContact CD2-CB 4.22Å; L81-V109 HydrophobicContact CD2-CG1 3.87Å; L81-V109 HydrophobicContact CD2-CG2 4.17Å; L81-V109 HydrophobicContact CG-CG2 4.17Å; D82-V109 WeakPolarHBondContact OD1-CG2 3.03Å; D82-V109 PolarHBondContact OD1-N 2.83Å; D82-V109 PolarHBondContact OD2-N 3.4Å; L85-V109 HydrophobicContact CD1-CG2 3.2Å; V109-Q111 PolarHBondContact O-N 2.94Å; V109-L112 WeakPolarHBondContact O-CB 3.41Å; V109-L112 WeakPolarHBondContact O-CG 3.37Å; V109-L112 PolarHBondContact O-N 2.85Å; V109-L120 HydrophobicContact CG2-CD2 4.47Å |
| 110 | H | 90.9 | Very high | 91.4 | Very high | 89 Ų | 89 | 54.3 Ų | 54.3 | 41% | 0.412 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -65.2 | -19.8 | 179.3 | 61.1 | -102.2 | 0 | 0 | 0 | 114 | P55 L108 | P55-H110 HydrophobicContact CB-CB 4.06Å; P55-H110 HydrophobicContact CG-CB 3.37Å; L108-H110 VanDerWaalsContact CB-CE1 3.41Å; L108-H110 WeakPolarHBondContact CB-CE1 3.38Å; L108-H110 VanDerWaalsContact CD1-CE1 3.4Å; L108-H110 WeakPolarHBondContact CD1-CE1 3.43Å; L108-H110 PolarHBondContact O-N 2.81Å; L108-H110 VanDerWaalsContact O-N 3.11Å |
| 111 | Q | 91.6 | Very high | 91.8 | Very high | 100 Ų | 100 | 54.1 Ų | 54.1 | 47% | 0.467 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -95.6 | 5.5 | -178.8 | -50.7 | -178.4 | 5.5 | 0 | 0 | 113.3 | K107 L108 V109 | K107-Q111 HydrophobicContact CB-CB 4.29Å; K107-Q111 HydrophobicContact CD-CB 4.5Å; L108-Q111 HydrophobicContact CB-CG 4.36Å; L108-Q111 WeakPolarHBondContact O-CB 3.33Å; L108-Q111 PolarHBondContact O-N 2.96Å; V109-Q111 PolarHBondContact O-N 2.94Å |
| 112 | L | 93.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | | | trans | -80.8 | 125.3 | 179.4 | -57.5 | -176.8 | 0 | 0 | 0 | 110.8 | F58 R104 K107 V109 A116 R117 L120 | F58-L112 HydrophobicContact CE1-CB 4.5Å; F58-L112 HydrophobicContact CE1-CD1 4.26Å; F58-L112 HydrophobicContact CZ-CD1 4.24Å; R104-L112 HydrophobicContact CG-CD1 4.16Å; R104-L112 HydrophobicContact CG-CD2 4.5Å; K107-L112 HydrophobicContact CB-CD2 4.04Å; V109-L112 WeakPolarHBondContact O-CB 3.41Å; V109-L112 WeakPolarHBondContact O-CG 3.37Å; V109-L112 PolarHBondContact O-N 2.85Å; L112-A116 HydrophobicContact CB-CB 4.04Å; L112-A116 HydrophobicContact CD2-CB 4.29Å; L112-R117 HydrophobicContact CB-CG 3.96Å; L112-R117 WeakPolarHBondContact O-CG 3.49Å; L112-R117 PolarHBondContact O-NE 2.94Å; L112-L120 HydrophobicContact CD1-CD2 4Å |
| 113 | G | 94.3 | Very high | 92.5 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | | | trans | -73.5 | 165.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A115 A116 R117 | G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.81Å; G113-A116 WeakPolarHBondContact O-CA 3.25Å; G113-A116 WeakPolarHBondContact O-CB 3.27Å; G113-A116 PolarHBondContact O-N 2.75Å; G113-R117 PolarHBondContact O-N 3.46Å |
| 114 | P | 93.3 | Very high | 92.9 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 29% | 0.286 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -54.8 | -35.3 | -165.2 | -29.1 | 35.1 | 0 | 0 | 0 | 115.8 | Y19 L50 K51 R117 A118 | Y19-P114 HydrophobicContact CE1-CB 4.11Å; L50-P114 VanDerWaalsContact O-CA 3.27Å; L50-P114 WeakPolarHBondContact O-CA 3.33Å; L50-P114 WeakPolarHBondContact O-CB 3.26Å; L50-P114 VanDerWaalsContact O-CG 3.28Å; L50-P114 WeakPolarHBondContact O-CG 3.41Å; K51-P114 HydrophobicContact CG-CB 4.26Å; K51-P114 HydrophobicContact CG-CG 4.2Å; P114-R117 PolarHBondContact O-N 2.75Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.18Å |
| 115 | A | 93.4 | Very high | 93.1 | Very high | 61 Ų | 61 | 39.1 Ų | 39.1 | 50% | 0.504 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.6 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y19 G113 A119 | Y19-A115 HydrophobicContact CE1-CB 4Å; G113-A115 VanDerWaalsContact C-N 3.28Å; G113-A115 PolarHBondContact O-N 2.81Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 2.93Å |
| 116 | A | 94.6 | Very high | 93.4 | Very high | 24 Ų | 24 | 35.2 Ų | 35.2 | 20% | 0.198 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.4 | -33.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L112 G113 L120 | L112-A116 HydrophobicContact CB-CB 4.04Å; L112-A116 HydrophobicContact CD2-CB 4.29Å; G113-A116 WeakPolarHBondContact O-CA 3.25Å; G113-A116 WeakPolarHBondContact O-CB 3.27Å; G113-A116 PolarHBondContact O-N 2.75Å; A116-L120 WeakPolarHBondContact O-CB 3.47Å; A116-L120 PolarHBondContact O-N 2.77Å |
| 117 | R | 96.2 | Very high | 93.7 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -50.2 | 171.1 | -60.5 | -165.8 | -175.2 | 176.2 | 5.5 | 111.6 | V49 L50 D52 F58 L112 G113 P114 A119 L120 L121 | V49-R117 WeakPolarHBondContact O-CD 3.41Å; V49-R117 PolarHBondContact O-NH1 2.85Å; L50-R117 HydrophobicContact CD2-CB 3.99Å; D52-R117 VanDerWaalsContact O-CZ 3.24Å; D52-R117 PolarHBondContact O-NH1 2.72Å; D52-R117 PolarHBondContact O-NH2 2.77Å; F58-R117 HydrophobicContact CD1-CB 4.4Å; F58-R117 HydrophobicContact CD1-CG 3.84Å; F58-R117 HydrophobicContact CD2-CB 4.07Å; F58-R117 HydrophobicContact CD2-CG 4.39Å; F58-R117 HydrophobicContact CE1-CB 4.01Å; F58-R117 HydrophobicContact CE1-CG 3.52Å; F58-R117 HydrophobicContact CE2-CB 3.68Å; F58-R117 HydrophobicContact CE2-CG 4.14Å; F58-R117 HydrophobicContact CG-CB 4.41Å; F58-R117 HydrophobicContact CG-CG 4.26Å; F58-R117 HydrophobicContact CZ-CB 3.65Å; F58-R117 HydrophobicContact CZ-CG 3.69Å; L112-R117 HydrophobicContact CB-CG 3.96Å; L112-R117 WeakPolarHBondContact O-CG 3.49Å; L112-R117 PolarHBondContact O-NE 2.94Å; G113-R117 PolarHBondContact O-N 3.46Å; P114-R117 PolarHBondContact O-N 2.75Å; R117-A119 PolarHBondContact O-N 2.99Å; R117-L120 PolarHBondContact O-N 3.25Å; R117-L121 PolarHBondContact O-N 2.91Å |
| 118 | A | 95.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60 | -46.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y19 L50 P114 L120 L121 D122 | Y19-A118 HydrophobicContact CD1-CB 3.92Å; Y19-A118 HydrophobicContact CG-CB 4.39Å; L50-A118 HydrophobicContact CD1-CB 4.16Å; L50-A118 HydrophobicContact CD2-CB 3.89Å; P114-A118 WeakPolarHBondContact O-CB 3.49Å; P114-A118 PolarHBondContact O-N 3.18Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.58Å; A118-L121 PolarHBondContact O-N 2.92Å; A118-D122 PolarHBondContact O-N 3.48Å |
| 119 | A | 94.5 | Very high | 93.6 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.5 | -30.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | H103 A115 R117 N123 | H103-A119 HydrophobicContact CB-CB 4.42Å; A115-A119 WeakPolarHBondContact O-CB 3.32Å; A115-A119 PolarHBondContact O-N 2.93Å; R117-A119 PolarHBondContact O-N 2.99Å; A119-N123 PolarHBondContact O-N 2.68Å; A119-N123 VanDerWaalsContact O-N 3.11Å; A119-N123 PolarHBondContact O-ND2 3.21Å |
| 120 | L | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | 172.6 | -170.2 | 72 | 0 | 0 | 0 | 111.1 | F58 L85 M100 R104 V109 L112 A116 R117 A118 N123 L124 | F58-L120 HydrophobicContact CE2-CD2 4.39Å; F58-L120 HydrophobicContact CZ-CB 4.3Å; F58-L120 HydrophobicContact CZ-CD2 3.74Å; L85-L120 HydrophobicContact CD1-CD2 4.14Å; M100-L120 HydrophobicContact CB-CD1 3.89Å; M100-L120 HydrophobicContact CG-CD1 3.81Å; M100-L120 HydrophobicContact SD-CD1 3.97Å; R104-L120 HydrophobicContact CG-CD1 4.45Å; V109-L120 HydrophobicContact CG2-CD2 4.47Å; L112-L120 HydrophobicContact CD1-CD2 4Å; A116-L120 WeakPolarHBondContact O-CB 3.47Å; A116-L120 PolarHBondContact O-N 2.77Å; R117-L120 PolarHBondContact O-N 3.25Å; A118-L120 VanDerWaalsContact C-N 3.33Å; A118-L120 PolarHBondContact O-N 2.58Å; L120-N123 PolarHBondContact O-N 3.37Å; L120-L124 HydrophobicContact CG-CD1 4.24Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.24Å |
| 121 | L | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.6 | -67 | 178.5 | 0 | 0 | 0 | 111.5 | L24 V49 L50 F58 L61 I65 R117 A118 N123 L124 I125 | L24-L121 HydrophobicContact CD2-CB 3.88Å; V49-L121 HydrophobicContact CG1-CD1 4.32Å; L50-L121 HydrophobicContact CD2-CD1 4.11Å; F58-L121 HydrophobicContact CD2-CD1 4.44Å; F58-L121 HydrophobicContact CD2-CD2 4.27Å; F58-L121 HydrophobicContact CD2-CG 4.3Å; F58-L121 HydrophobicContact CE2-CD2 4.12Å; F58-L121 HydrophobicContact CE2-CG 4Å; L61-L121 HydrophobicContact CD2-CD1 3.68Å; L61-L121 HydrophobicContact CD2-CD2 3.74Å; L61-L121 HydrophobicContact CD2-CG 4.38Å; L61-L121 HydrophobicContact CG-CD2 3.85Å; I65-L121 HydrophobicContact CD1-CD2 4.21Å; R117-L121 PolarHBondContact O-N 2.91Å; A118-L121 PolarHBondContact O-N 2.92Å; L121-N123 PolarHBondContact O-N 2.88Å; L121-L124 PolarHBondContact O-N 2.86Å; L121-I125 HydrophobicContact CB-CD1 4.48Å; L121-I125 VanDerWaalsContact O-CB 3.29Å; L121-I125 WeakPolarHBondContact O-CB 3.48Å; L121-I125 WeakPolarHBondContact O-CD1 3.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.17Å |
| 122 | D | 94.8 | Very high | 90.2 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 11% | 0.107 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.9 | -53.9 | 175.3 | -88.3 | -3.6 | 0 | 0 | 0 | 111.1 | R20 F23 L24 A118 L124 I125 E126 | R20-D122 WeakPolarHBondContact CD-OD2 3.4Å; R20-D122 IonicContact CZ-OD2 3.72Å; R20-D122 IonicContact NE-OD2 3.76Å; R20-D122 IonicContact NH1-OD1 3.55Å; R20-D122 IonicContact NH1-OD2 3.49Å; R20-D122 PolarHBondContact NH1-OD2 3.15Å; F23-D122 WeakPolarHBondContact CD1-OD1 2.97Å; L24-D122 WeakPolarHBondContact CD2-OD1 3.34Å; A118-D122 PolarHBondContact O-N 3.48Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.37Å; D122-I125 WeakPolarHBondContact O-CB 3.32Å; D122-I125 PolarHBondContact O-N 2.97Å; D122-I125 VanDerWaalsContact O-N 3.11Å; D122-E126 VanDerWaalsContact O-CG 3.27Å; D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.07Å |
| 123 | N | 94.4 | Very high | 87.8 | Confident | 14 Ų | 14 | 33.8 Ų | 33.8 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.9 | -29.3 | -177.7 | -73.1 | -87.9 | 0 | 0 | 0 | 113.3 | N99 M100 H103 A119 L120 L121 S127 | N99-N123 WeakPolarHBondContact CB-OD1 3.3Å; N99-N123 PolarHBondContact ND2-OD1 3.4Å; M100-N123 HydrophobicContact CG-CB 3.53Å; M100-N123 HydrophobicContact SD-CB 4.36Å; H103-N123 PolarHBondContact CD2-ND2 3.04Å; A119-N123 PolarHBondContact O-N 2.68Å; A119-N123 VanDerWaalsContact O-N 3.11Å; A119-N123 PolarHBondContact O-ND2 3.21Å; L120-N123 PolarHBondContact O-N 3.37Å; L121-N123 PolarHBondContact O-N 2.88Å; N123-S127 WeakPolarHBondContact O-CB 3.35Å; N123-S127 PolarHBondContact O-N 3.06Å; N123-S127 PolarHBondContact O-OG 3.36Å |
| 124 | L | 94.7 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.1 | -39.8 | 169.5 | -77.2 | 171.4 | 0 | 0 | 0 | 111.7 | A62 I65 L66 L69 L85 M100 L120 L121 D122 S127 V128 | A62-L124 HydrophobicContact CB-CD1 4.03Å; I65-L124 HydrophobicContact CG2-CB 3.93Å; L66-L124 HydrophobicContact CD2-CD2 3.79Å; L66-L124 HydrophobicContact CG-CD2 4.02Å; L69-L124 HydrophobicContact CD1-CD2 4.1Å; L85-L124 HydrophobicContact CD2-CD2 4.18Å; M100-L124 HydrophobicContact CE-CD2 4.07Å; M100-L124 HydrophobicContact SD-CD2 3.49Å; M100-L124 WeakPolarHBondContact SD-CD2 3.37Å; M100-L124 HydrophobicContact SD-CG 3.57Å; M100-L124 VanDerWaalsContact SD-CG 3.57Å; L120-L124 HydrophobicContact CG-CD1 4.24Å; L120-L124 WeakPolarHBondContact O-CB 3.32Å; L120-L124 WeakPolarHBondContact O-CG 3.49Å; L120-L124 PolarHBondContact O-N 3.24Å; L121-L124 PolarHBondContact O-N 2.86Å; D122-L124 VanDerWaalsContact C-N 3.34Å; D122-L124 PolarHBondContact O-N 3.37Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 2.79Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 2.79Å; L124-V128 VanDerWaalsContact O-N 3.12Å |
| 125 | I | 94.2 | Very high | 81.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -46.9 | 178.7 | -75.9 | 166.8 | 0 | 0 | 0 | 111.2 | F23 L24 F27 F28 L121 D122 S127 V128 Y129 | F23-I125 HydrophobicContact CE1-CB 4.5Å; F23-I125 HydrophobicContact CE1-CG2 3.73Å; F23-I125 HydrophobicContact CZ-CG2 3.7Å; L24-I125 HydrophobicContact CD2-CD1 3.51Å; F27-I125 HydrophobicContact CB-CD1 4.13Å; F27-I125 HydrophobicContact CB-CG2 4.22Å; F27-I125 HydrophobicContact CD1-CD1 3.63Å; F27-I125 HydrophobicContact CD1-CG1 3.63Å; F27-I125 HydrophobicContact CD2-CB 4.26Å; F27-I125 HydrophobicContact CD2-CD1 4.49Å; F27-I125 HydrophobicContact CD2-CG1 4.02Å; F27-I125 HydrophobicContact CD2-CG2 3.45Å; F27-I125 VanDerWaalsContact CD2-CG2 3.45Å; F27-I125 HydrophobicContact CE1-CD1 4.13Å; F27-I125 HydrophobicContact CE1-CG1 3.66Å; F27-I125 HydrophobicContact CE2-CB 4.29Å; F27-I125 HydrophobicContact CE2-CG1 4.03Å; F27-I125 HydrophobicContact CE2-CG2 3.84Å; F27-I125 HydrophobicContact CG-CB 4.44Å; F27-I125 HydrophobicContact CG-CD1 3.84Å; F27-I125 HydrophobicContact CG-CG1 3.82Å; F27-I125 HydrophobicContact CG-CG2 3.82Å; F27-I125 HydrophobicContact CZ-CG1 3.84Å; F28-I125 HydrophobicContact CZ-CD1 4.17Å; L121-I125 HydrophobicContact CB-CD1 4.48Å; L121-I125 VanDerWaalsContact O-CB 3.29Å; L121-I125 WeakPolarHBondContact O-CB 3.48Å; L121-I125 WeakPolarHBondContact O-CD1 3.4Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 3.17Å; D122-I125 WeakPolarHBondContact O-CB 3.32Å; D122-I125 PolarHBondContact O-N 2.97Å; D122-I125 VanDerWaalsContact O-N 3.11Å; I125-S127 PolarHBondContact O-N 2.85Å; I125-V128 WeakPolarHBondContact O-CB 3.42Å; I125-V128 PolarHBondContact O-N 3.4Å; I125-Y129 HydrophobicContact CG2-CD2 4.15Å; I125-Y129 HydrophobicContact CG2-CE2 3.73Å; I125-Y129 WeakPolarHBondContact O-CD2 3.34Å; I125-Y129 PolarHBondContact O-N 2.72Å |
| 126 | E | 92.7 | Very high | 78.8 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60 | -37.3 | 173.2 | -57.3 | -72.4 | 172.6 | 0 | 0 | 109.9 | R20 F23 Y96 D122 V128 Y129 D130 | R20-E126 IonicContact NH1-OE1 3.63Å; R20-E126 IonicContact NH2-OE1 2.7Å; R20-E126 PolarHBondContact NH2-OE1 3.09Å; F23-E126 WeakPolarHBondContact CZ-OE1 3.4Å; Y96-E126 HydrophobicContact CD1-CB 3.56Å; Y96-E126 HydrophobicContact CD1-CG 4.19Å; Y96-E126 HydrophobicContact CD2-CB 4.26Å; Y96-E126 HydrophobicContact CE1-CB 3.42Å; Y96-E126 VanDerWaalsContact CE1-CB 3.42Å; Y96-E126 HydrophobicContact CE1-CG 3.84Å; Y96-E126 HydrophobicContact CE2-CB 4.13Å; Y96-E126 HydrophobicContact CG-CB 4Å; D122-E126 VanDerWaalsContact O-CG 3.27Å; D122-E126 WeakPolarHBondContact O-CG 3.4Å; D122-E126 PolarHBondContact O-N 3.07Å; E126-V128 VanDerWaalsContact C-N 3.28Å; E126-V128 PolarHBondContact O-N 2.78Å; E126-Y129 CarbonylContact O-C 3.55Å; E126-Y129 PolarHBondContact O-N 2.92Å; E126-D130 WeakPolarHBondContact O-CB 3.48Å; E126-D130 PolarHBondContact O-N 3.27Å |
| 127 | S | 91.5 | Very high | 75.9 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -28.3 | 172.8 | -57.3 | 0 | 0 | 0 | 0 | 113.8 | Y96 N123 L124 I125 Y129 E131 | Y96-S127 WeakPolarHBondContact CB-OG 3.23Å; N123-S127 WeakPolarHBondContact O-CB 3.35Å; N123-S127 PolarHBondContact O-N 3.06Å; N123-S127 PolarHBondContact O-OG 3.36Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 2.79Å; I125-S127 PolarHBondContact O-N 2.85Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; S127-E131 VanDerWaalsContact O-CB 3.31Å; S127-E131 WeakPolarHBondContact O-CB 3.4Å; S127-E131 WeakPolarHBondContact O-CG 3.29Å; S127-E131 PolarHBondContact O-N 3.19Å |
| 128 | V | 91.6 | Very high | 72.8 | Confident | 4 Ų | 4 | 55.4 Ų | 55.4 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.3 | -21.5 | 174.1 | 169.5 | 0 | 0 | 0 | 0 | 112.4 | F27 I65 F68 L69 L124 I125 E126 | F27-V128 HydrophobicContact CE2-CB 4.25Å; F27-V128 HydrophobicContact CE2-CG1 3.96Å; F27-V128 HydrophobicContact CZ-CB 4.36Å; F27-V128 HydrophobicContact CZ-CG1 4.13Å; F27-V128 HydrophobicContact CZ-CG2 4.47Å; I65-V128 HydrophobicContact CG2-CG2 3.79Å; F68-V128 HydrophobicContact CD1-CG1 4.31Å; F68-V128 HydrophobicContact CD1-CG2 4.02Å; F68-V128 HydrophobicContact CE1-CG1 3.97Å; F68-V128 HydrophobicContact CE1-CG2 4.2Å; L69-V128 HydrophobicContact CD1-CG2 4.06Å; L69-V128 HydrophobicContact CD2-CB 4.46Å; L69-V128 HydrophobicContact CD2-CG2 3.69Å; L69-V128 HydrophobicContact CG-CG2 3.79Å; L124-V128 WeakPolarHBondContact O-CG2 3.49Å; L124-V128 PolarHBondContact O-N 2.79Å; L124-V128 VanDerWaalsContact O-N 3.12Å; I125-V128 WeakPolarHBondContact O-CB 3.42Å; I125-V128 PolarHBondContact O-N 3.4Å; E126-V128 VanDerWaalsContact C-N 3.28Å; E126-V128 PolarHBondContact O-N 2.78Å |
| 129 | Y | 89.2 | Confident | 69.8 | Low | 76 Ų | 76 | 59 Ų | 59 | 30% | 0.298 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -91.3 | -29.9 | 172.3 | -65.5 | -59.8 | 0 | 0 | 0 | 112.9 | F23 F27 Q30 H31 I125 E126 S127 Q132 | F23-Y129 HydrophobicContact CZ-CE2 4.44Å; F27-Y129 AromaticContact CD2-CE2 3.98Å; F27-Y129 HydrophobicContact CD2-CE2 3.98Å; F27-Y129 AromaticContact CD2-CZ 3.89Å; F27-Y129 HydrophobicContact CE2-CE2 4.41Å; Q30-Y129 PolarHBondContact OE1-OH 2.79Å; H31-Y129 AromaticContact NE2-CE1 3.75Å; H31-Y129 AromaticContact NE2-CZ 3.97Å; I125-Y129 HydrophobicContact CG2-CD2 4.15Å; I125-Y129 HydrophobicContact CG2-CE2 3.73Å; I125-Y129 WeakPolarHBondContact O-CD2 3.34Å; I125-Y129 PolarHBondContact O-N 2.72Å; E126-Y129 CarbonylContact O-C 3.55Å; E126-Y129 PolarHBondContact O-N 2.92Å; S127-Y129 VanDerWaalsContact C-N 3.33Å; Y129-Q132 WeakPolarHBondContact O-CB 3.47Å; Y129-Q132 PolarHBondContact O-N 2.95Å |
| 130 | D | 84.2 | Confident | 66.7 | Low | 85 Ų | 85 | 61.8 Ų | 61.8 | 46% | 0.455 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.5 | -46 | 176 | -163.5 | 44.8 | 0 | 0 | 0 | 111.1 | Y96 E126 Q132 | Y96-D130 HydrophobicContact CD2-CB 4.05Å; Y96-D130 HydrophobicContact CE2-CB 3.91Å; E126-D130 WeakPolarHBondContact O-CB 3.48Å; E126-D130 PolarHBondContact O-N 3.27Å; D130-Q132 PolarHBondContact O-N 2.9Å |
| 131 | E | 67.2 | Low | 63.6 | Low | 55 Ų | 55 | 70.1 Ų | 70.1 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 43.9 | 165.2 | -55.6 | -96.9 | -179.5 | 0 | 0 | 110.4 | L69 K92 R97 S127 P133 | L69-E131 HydrophobicContact CD2-CB 4.29Å; L69-E131 HydrophobicContact CD2-CG 4.24Å; K92-E131 IonicContact NZ-OE1 3.54Å; K92-E131 PolarHBondContact NZ-OE1 3.39Å; K92-E131 IonicContact NZ-OE2 3.01Å; K92-E131 PolarHBondContact NZ-OE2 2.91Å; R97-E131 IonicContact CZ-OE1 2.9Å; R97-E131 IonicContact NH2-OE1 2.74Å; R97-E131 PolarHBondContact NH2-OE1 2.89Å; S127-E131 VanDerWaalsContact O-CB 3.31Å; S127-E131 WeakPolarHBondContact O-CB 3.4Å; S127-E131 WeakPolarHBondContact O-CG 3.29Å; S127-E131 PolarHBondContact O-N 3.19Å; E131-P133 VanDerWaalsContact O-CD 3.28Å; E131-P133 WeakPolarHBondContact O-CD 3.35Å |
| 132 | Q | 52.7 | Low | 60.5 | Low | 147 Ų | 147 | 77 Ų | 77 | 69% | 0.687 | 39% | 0.393 | S | S | * | . | | | trans | -60.8 | 120 | 164.5 | -129 | -171.5 | 92.9 | 0 | 0 | 106.7 | Y129 D130 D134 | Y129-Q132 WeakPolarHBondContact O-CB 3.47Å; Y129-Q132 PolarHBondContact O-N 2.95Å; D130-Q132 PolarHBondContact O-N 2.9Å; Q132-D134 PolarHBondContact O-N 3.03Å |
| 133 | P | 43.4 | Very low | 57.4 | Low | 61 Ų | 61 | 81 Ų | 81 | 40% | 0.396 | 42% | 0.422 | S | S | . | . | | | trans | -64.3 | 142.1 | 176.9 | -16.2 | 29.8 | 0 | 0 | 0 | 108.2 | E131 F135 | E131-P133 VanDerWaalsContact O-CD 3.28Å; E131-P133 WeakPolarHBondContact O-CD 3.35Å; P133-F135 HydrophobicContact CB-CD2 3.61Å; P133-F135 HydrophobicContact CB-CE2 3.9Å; P133-F135 HydrophobicContact CB-CG 4.26Å; P133-F135 HydrophobicContact CG-CD2 3.82Å; P133-F135 HydrophobicContact CG-CE2 3.83Å; P133-F135 PolarHBondContact O-N 3.03Å |
| 134 | D | 29.5 | Very low | 54.1 | Low | 164 Ų | 164 | 85.1 Ų | 85.1 | 88% | 0.877 | 45% | 0.452 | S | S | * | . | | | trans | -66.6 | 66.8 | 160.8 | -79.1 | -52.2 | 0 | 0 | 0 | 109.4 | Q132 N136 | Q132-D134 PolarHBondContact O-N 3.03Å; D134-N136 PolarHBondContact O-N 2.56Å |
| 135 | F | 34.6 | Very low | 51.1 | Low | 132 Ų | 132 | 93.3 Ų | 93.3 | 58% | 0.579 | 49% | 0.494 | S | S | * | . | | | trans | -71.4 | 59 | 164.8 | -88.9 | -56.8 | 0 | 0 | 0 | 109 | P133 F137 | P133-F135 HydrophobicContact CB-CD2 3.61Å; P133-F135 HydrophobicContact CB-CE2 3.9Å; P133-F135 HydrophobicContact CB-CG 4.26Å; P133-F135 HydrophobicContact CG-CD2 3.82Å; P133-F135 HydrophobicContact CG-CE2 3.83Å; P133-F135 PolarHBondContact O-N 3.03Å; F135-F137 HydrophobicContact CB-CE2 4.37Å; F135-F137 WeakPolarHBondContact O-CD2 3.15Å; F135-F137 PolarHBondContact O-N 3.26Å |
| 136 | N | 27.3 | Very low | 48 | Very low | 74 Ų | 74 | 98.9 Ų | 98.9 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | | | trans | -63.4 | 88 | 158 | -178.4 | -7.8 | 0 | 0 | 0 | 106.7 | D134 T138 T139 | D134-N136 PolarHBondContact O-N 2.56Å; N136-T138 PolarHBondContact O-N 2.88Å; N136-T138 WeakPolarHBondContact OD1-CB 3.28Å; N136-T138 PolarHBondContact OD1-N 2.79Å; N136-T138 PolarHBondContact OD1-OG1 3.06Å; N136-T139 WeakPolarHBondContact CB-OG1 3.28Å; N136-T139 WeakPolarHBondContact ND2-CG2 3.3Å; N136-T139 PolarHBondContact O-N 2.73Å; N136-T139 PolarHBondContact O-OG1 3.04Å; N136-T139 VanDerWaalsContact O-OG1 3.1Å |
| 137 | F | 33.8 | Very low | 44.9 | Very low | 156 Ų | 156 | 103.2 Ų | 103.2 | 68% | 0.684 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | -22.5 | -180 | -80.6 | -91.9 | 0 | 0 | 0 | 112.5 | F135 | F135-F137 HydrophobicContact CB-CE2 4.37Å; F135-F137 WeakPolarHBondContact O-CD2 3.15Å; F135-F137 PolarHBondContact O-N 3.26Å |
| 138 | T | 31.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 110.7 Ų | 110.7 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -16.2 | 176.9 | 8.9 | 0 | 0 | 0 | 0 | 115.9 | N136 | N136-T138 PolarHBondContact O-N 2.88Å; N136-T138 WeakPolarHBondContact OD1-CB 3.28Å; N136-T138 PolarHBondContact OD1-N 2.79Å; N136-T138 PolarHBondContact OD1-OG1 3.06Å |
| 139 | T | 32.6 | Very low | 39.4 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 49% | 0.485 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | -24.1 | -179.2 | 47.5 | 0 | 0 | 0 | 0 | 114.8 | N136 F141 | N136-T139 WeakPolarHBondContact CB-OG1 3.28Å; N136-T139 WeakPolarHBondContact ND2-CG2 3.3Å; N136-T139 PolarHBondContact O-N 2.73Å; N136-T139 PolarHBondContact O-OG1 3.04Å; N136-T139 VanDerWaalsContact O-OG1 3.1Å; T139-F141 VanDerWaalsContact C-N 3.34Å |
| 140 | C | 29.4 | Very low | 36.8 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 51% | 0.514 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.8 | -20.2 | 175.8 | -58 | 0 | 0 | 0 | 0 | 113.4 | | |
| 141 | F | 31.7 | Very low | 34.3 | Very low | 175 Ų | 175 | 118.2 Ų | 118.2 | 77% | 0.768 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 2.7 | -175.8 | -88.8 | -83.1 | 0 | 0 | 0 | 115.3 | T139 | T139-F141 VanDerWaalsContact C-N 3.34Š|
| 142 | N | 30.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 119.2 Ų | 119.2 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -114.7 | 6.6 | -178.7 | -102.9 | -32.7 | 0 | 0 | 0 | 114.8 | | |
| 143 | S | 28.6 | Very low | 31.6 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -122.6 | 38.3 | -176.4 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 144 | S | 26 | Very low | 31.2 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | | | trans | -149 | 77.3 | -177.1 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 145 | I | 31.3 | Very low | 31.6 | Very low | 172 Ų | 172 | 108.2 Ų | 108.2 | 88% | 0.882 | 66% | 0.662 | S | S | * | * | | | trans | -160.1 | 97.4 | 151.9 | -97.1 | 143.5 | 0 | 0 | 0 | 109.2 | | |
| 146 | S | 28.5 | Very low | 31.5 | Very low | 117 Ų | 117 | 112.5 Ų | 112.5 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | | | trans | 144.6 | 114.1 | 166.1 | 53.7 | 0 | 0 | 0 | 0 | 106 | | |
| 147 | T | 28.9 | Very low | 31.7 | Very low | 137 Ų | 137 | 112.6 Ų | 112.6 | 84% | 0.84 | 69% | 0.693 | S | S | * | * | | | cis | -137.3 | 141.2 | 49.3 | 47.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 148 | N | 34.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 108.6 Ų | 108.6 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | | | trans | -157.7 | 144.5 | 155.2 | -110.9 | -29.3 | 0 | 0 | 0 | 105.4 | | |
| 149 | S | 32.5 | Very low | 31.6 | Very low | 89 Ų | 89 | 107.8 Ų | 107.8 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | | | cis | -171.6 | 160.2 | -29.8 | 39.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 150 | V | 33.8 | Very low | 31.6 | Very low | 155 Ų | 155 | 111.6 Ų | 111.6 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | | | trans | 69.7 | 136.7 | 178.4 | -165.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 151 | G | 31.6 | Very low | 31.7 | Very low | 79 Ų | 79 | 111 Ų | 111 | 81% | 0.814 | 73% | 0.725 | S | S | * | * | | | trans | 176.8 | -90.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 152 | G | 30.7 | Very low | 31.6 | Very low | 77 Ų | 77 | 109 Ų | 109 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | | | trans | 87.2 | 133.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 153 | G | 32.8 | Very low | 31.4 | Very low | 25 Ų | 25 | 105.1 Ų | 105.1 | 26% | 0.258 | 73% | 0.726 | S | S | . | * | | | trans | 118 | 150.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121 | S2048 T2049 L2050 | G153-S2048 WeakPolarHBondContact O-CA 3.47Å; G153-T2049 CarbonylContact O-C 3.28Å; G153-T2049 VanDerWaalsContact O-CA 3.27Å; G153-T2049 WeakPolarHBondContact O-CA 3.31Å; G153-L2050 PolarHBondContact O-N 3.26Å |
| 154 | G | 34.9 | Very low | 31.4 | Very low | 27 Ų | 27 | 105.4 Ų | 105.4 | 28% | 0.278 | 73% | 0.728 | S | S | . | * | | | trans | 106.6 | 103.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 120 | T2049 L2050 | G154-T2049 CarbonylContact O-C 3.5Å; G154-T2049 WeakPolarHBondContact O-CA 3.42Å; G154-T2049 WeakPolarHBondContact O-CB 3.47Å; G154-T2049 WeakPolarHBondContact O-CG2 3.29Å; G154-L2050 VanDerWaalsContact C-CB 3.45Å; G154-L2050 WeakPolarHBondContact O-CA 3.31Å; G154-L2050 WeakPolarHBondContact O-CB 3.31Å; G154-L2050 PolarHBondContact O-N 3.03Å |
| 155 | V | 39.2 | Very low | 31.6 | Very low | 88 Ų | 88 | 107.4 Ų | 107.4 | 53% | 0.533 | 74% | 0.736 | S | S | . | * | | | trans | -59.8 | 160.9 | -175 | -95.5 | 0 | 0 | 0 | 0 | 115.6 | T2049 L2050 | V155-T2049 WeakPolarHBondContact O-CG2 3.38Å; V155-L2050 HydrophobicContact CG1-CD1 4.35Å; V155-L2050 HydrophobicContact CG1-CD2 3.5Å; V155-L2050 HydrophobicContact CG1-CG 4.39Å |
| 156 | R | 32 | Very low | 31.6 | Very low | 223 Ų | 223 | 102.4 Ų | 102.4 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | | | cis | -162.6 | 164.3 | 21.5 | -134.2 | 151.8 | -158.9 | -175 | 3.5 | 112.7 | | |
| 157 | G | 31.3 | Very low | 31.6 | Very low | 75 Ų | 75 | 104.4 Ų | 104.4 | 77% | 0.773 | 73% | 0.728 | S | S | * | * | | | trans | -80.5 | -166.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 158 | G | 31.8 | Very low | 31.5 | Very low | 72 Ų | 72 | 102.8 Ų | 102.8 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | | | cis | 157 | -177 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 159 | A | 31.1 | Very low | 31.2 | Very low | 91 Ų | 91 | 104.7 Ų | 104.7 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | | | trans | 54.9 | 128.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 160 | N | 33.3 | Very low | 31.2 | Very low | 158 Ų | 158 | 107.9 Ų | 107.9 | 85% | 0.845 | 72% | 0.718 | S | S | * | * | | | cis | -142.6 | 170.3 | 42.3 | -85 | -71.4 | 0 | 0 | 0 | 113.4 | | |
| 161 | G | 30.5 | Very low | 31 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | | | trans | -73.2 | -161.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 162 | S | 29 | Very low | 31 | Very low | 132 Ų | 132 | 107.6 Ų | 107.6 | 92% | 0.923 | 71% | 0.705 | S | S | * | * | | | cis | -155 | 169.2 | 16.9 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 163 | G | 28.2 | Very low | 30.9 | Very low | 63 Ų | 63 | 107.1 Ų | 107.1 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | | | trans | 120.7 | 104.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 164 | S | 27 | Very low | 30.9 | Very low | 109 Ų | 109 | 109.5 Ų | 109.5 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | | | | 28.9 | 119.4 | 126 | 62 | 0 | 0 | 0 | 0 | 117.4 | | |
| 165 | T | 30.6 | Very low | 31.1 | Very low | 143 Ų | 143 | 112.6 Ų | 112.6 | 88% | 0.877 | 70% | 0.699 | S | S | * | * | | | | 178.7 | 176.8 | 74.9 | 36.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 166 | G | 31 | Very low | 30.7 | Very low | 67 Ų | 67 | 115 Ų | 115 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | | | trans | 79.3 | 92.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 167 | L | 28.3 | Very low | 30.6 | Very low | 160 Ų | 160 | 108.3 Ų | 108.3 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | | | cis | 54.3 | 133.3 | 41.9 | -93 | -179.7 | 0 | 0 | 0 | 114.6 | | |
| 168 | D | 27.2 | Very low | 30.8 | Very low | 103 Ų | 103 | 110.2 Ų | 110.2 | 55% | 0.551 | 71% | 0.705 | S | S | * | * | | | trans | 75.5 | 112.4 | 159 | -76.6 | -46.8 | 0 | 0 | 0 | 121.4 | | |
| 169 | R | 28.7 | Very low | 30.9 | Very low | 197 Ų | 197 | 110.2 Ų | 110.2 | 74% | 0.743 | 71% | 0.705 | S | S | * | * | | | trans | 76.7 | 162.4 | 135.4 | -62.5 | 169.5 | -144.1 | -175.9 | 14.5 | 114.6 | | |
| 170 | I | 32.2 | Very low | 30.9 | Very low | 157 Ų | 157 | 113 Ų | 113 | 81% | 0.805 | 71% | 0.707 | S | S | * | * | | | cis | -125.5 | 144.9 | 22.6 | -72.4 | 168.7 | 0 | 0 | 0 | 113.8 | | |
| 171 | D | 29.2 | Very low | 30.8 | Very low | 133 Ų | 133 | 113.1 Ų | 113.1 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | | | trans | -18 | 151 | 170.2 | -55 | -77.9 | 0 | 0 | 0 | 121 | | |
| 172 | A | 31.5 | Very low | 30.8 | Very low | 94 Ų | 94 | 113.2 Ų | 113.2 | 78% | 0.777 | 71% | 0.707 | S | S | * | * | | | trans | -73.1 | 136.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 173 | Q | 30 | Very low | 31.2 | Very low | 68 Ų | 68 | 113.4 Ų | 113.4 | 32% | 0.318 | 71% | 0.709 | S | S | . | * | | | trans | -174.1 | 105.2 | 142.2 | -82.4 | -123 | -2 | 0 | 0 | 110.4 | P953 R954 | Q173-P953 PolarHBondContact NE2-O 2.96Å; Q173-P953 PolarHBondContact OE1-O 2.85Å; Q173-R954 VanDerWaalsContact OE1-NH1 3.11Å |
| 174 | D | 32.3 | Very low | 31.6 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 40% | 0.401 | 71% | 0.708 | S | S | . | * | | | trans | -178.9 | 92.5 | 156.3 | -90.3 | -26.4 | 0 | 0 | 0 | 106.9 | Q893 | D174-Q893 WeakPolarHBondContact OD1-CA 3.31Å; D174-Q893 PolarHBondContact OD1-N 3.46Å; D174-Q893 WeakPolarHBondContact OD2-CA 3.27Å; D174-Q893 PolarHBondContact OD2-N 2.88Å |
| 175 | L | 37.6 | Very low | 32.1 | Very low | 92 Ų | 92 | 116 Ų | 116 | 48% | 0.482 | 71% | 0.714 | S | S | . | * | | | cis | 86.2 | 73.4 | 49 | -156.6 | 82.4 | 0 | 0 | 0 | 114.1 | | |
| 176 | F | 31 | Very low | 32.1 | Very low | 138 Ų | 138 | 113 Ų | 113 | 61% | 0.605 | 71% | 0.711 | S | S | * | * | | | trans | 44.8 | 100.7 | 150.6 | -62.3 | -82.7 | 0 | 0 | 0 | 120.4 | | |
| 177 | G | 31.3 | Very low | 32.1 | Very low | 82 Ų | 82 | 114.5 Ų | 114.5 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | | | trans | -116 | 110.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 178 | S | 35.8 | Very low | 32.4 | Very low | 116 Ų | 116 | 113.3 Ų | 113.3 | 81% | 0.811 | 70% | 0.704 | S | S | * | * | | | trans | -70.3 | 154.7 | -177.9 | -61.2 | 0 | 0 | 0 | 0 | 113 | | |
| 179 | G | 32.5 | Very low | 32.6 | Very low | 72 Ų | 72 | 113.7 Ų | 113.7 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | | | trans | -139.7 | -49.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 180 | D | 31.5 | Very low | 32.7 | Very low | 150 Ų | 150 | 114.5 Ų | 114.5 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | | | trans | 70 | 164.5 | 176.5 | -152.1 | 4.4 | 0 | 0 | 0 | 116.9 | | |
| 181 | L | 32.5 | Very low | 32.6 | Very low | 160 Ų | 160 | 110.7 Ų | 110.7 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | | | trans | 59.5 | 124.5 | 170.7 | -47.8 | -179.4 | 0 | 0 | 0 | 117.9 | | |
| 182 | G | 28.8 | Very low | 32.8 | Very low | 66 Ų | 66 | 112.2 Ų | 112.2 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | | | cis | 159.6 | 168.1 | -2.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 183 | S | 38.6 | Very low | 32.6 | Very low | 136 Ų | 136 | 111.6 Ų | 111.6 | 95% | 0.951 | 70% | 0.701 | S | S | * | * | | | trans | 67.7 | 135.6 | -179.1 | -152.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 184 | G | 35.8 | Very low | 32.5 | Very low | 61 Ų | 61 | 116.4 Ų | 116.4 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | | | cis | 169.9 | 89.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 185 | D | 37.9 | Very low | 32.6 | Very low | 167 Ų | 167 | 118 Ų | 118 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | | | trans | -167.3 | 91 | 149.8 | -104.5 | -21.3 | 0 | 0 | 0 | 108.7 | | |
| 186 | G | 30.7 | Very low | 32.5 | Very low | 79 Ų | 79 | 119.9 Ų | 119.9 | 81% | 0.814 | 75% | 0.747 | S | S | * | * | | | trans | -118.9 | 86.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 187 | C | 31.1 | Very low | 32.4 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | trans | -164.5 | 144 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 188 | N | 34.6 | Very low | 32.5 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | | | cis | -135.1 | 121.7 | -28.2 | -91.3 | -42.3 | 0 | 0 | 0 | 104.9 | | |
| 189 | V | 31.9 | Very low | 32.2 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | | | | 61.6 | 114.9 | 83.5 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | A191 | V189-A191 HydrophobicContact CG1-CB 4.49Å; V189-A191 PolarHBondContact O-N 3.11Å |
| 190 | F | 30.9 | Very low | 32.2 | Very low | 214 Ų | 214 | 125.4 Ų | 125.4 | 94% | 0.939 | 74% | 0.738 | S | S | * | * | | | trans | -50.5 | 99.4 | 157 | -82.7 | -116 | 0 | 0 | 0 | 109 | | |
| 191 | A | 30.2 | Very low | 32.4 | Very low | 76 Ų | 76 | 125.5 Ų | 125.5 | 63% | 0.628 | 73% | 0.731 | S | S | * | * | | | trans | -119.3 | 109.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | V189 T193 | V189-A191 HydrophobicContact CG1-CB 4.49Å; V189-A191 PolarHBondContact O-N 3.11Å; A191-T193 PolarHBondContact O-N 3.01Å |
| 192 | E | 33.1 | Very low | 32.3 | Very low | 165 Ų | 165 | 121.2 Ų | 121.2 | 77% | 0.771 | 72% | 0.719 | S | S | * | * | | | trans | -61.6 | 121.3 | 176.4 | -57.4 | 175.4 | 129.1 | 0 | 0 | 109.9 | | |
| 193 | T | 27.2 | Very low | 32.4 | Very low | 82 Ų | 82 | 119.1 Ų | 119.1 | 50% | 0.503 | 70% | 0.697 | S | S | . | * | | | trans | -145.5 | 109.3 | 152.4 | -66.8 | 0 | 0 | 0 | 0 | 109.1 | A191 D195 | A191-T193 PolarHBondContact O-N 3.01Å; T193-D195 PolarHBondContact O-N 3.09Å; T193-D195 VanDerWaalsContact O-N 3.11Å |
| 194 | E | 27.5 | Very low | 32.3 | Very low | 168 Ų | 168 | 118.5 Ų | 118.5 | 79% | 0.785 | 68% | 0.679 | S | S | * | * | | | trans | -24.7 | 101 | 167.8 | -53.8 | 172.5 | 130.9 | 0 | 0 | 114.8 | | |
| 195 | D | 33.8 | Very low | 32.9 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 58% | 0.578 | 66% | 0.661 | S | S | * | * | | | trans | -104.8 | 56.7 | 164.1 | -143.4 | -23.2 | 0 | 0 | 0 | 111.4 | T193 N197 V198 | T193-D195 PolarHBondContact O-N 3.09Å; T193-D195 VanDerWaalsContact O-N 3.11Å; D195-N197 PolarHBondContact O-N 2.91Å; D195-V198 HydrophobicContact CB-CG2 3.66Å; D195-V198 VanDerWaalsContact CG-CG2 3.42Å; D195-V198 WeakPolarHBondContact O-CG2 3.03Å; D195-V198 PolarHBondContact OD1-N 3.03Å |
| 196 | V | 35 | Very low | 33.3 | Very low | 132 Ų | 132 | 115.2 Ų | 115.2 | 80% | 0.8 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 48.8 | 165.1 | -168 | 0 | 0 | 0 | 0 | 109.2 | | |
| 197 | N | 30.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 119.8 Ų | 119.8 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.5 | 5.4 | -177.6 | -106.9 | -28.6 | 0 | 0 | 0 | 114.8 | D195 L199 | D195-N197 PolarHBondContact O-N 2.91Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 2.99Å |
| 198 | V | 33.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 53% | 0.527 | 65% | 0.653 | S | S | . | * | | | trans | -69.6 | 88.7 | 178.9 | -142.7 | 0 | 0 | 0 | 0 | 112.3 | D195 I200 | D195-V198 HydrophobicContact CB-CG2 3.66Å; D195-V198 VanDerWaalsContact CG-CG2 3.42Å; D195-V198 WeakPolarHBondContact O-CG2 3.03Å; D195-V198 PolarHBondContact OD1-N 3.03Å; V198-I200 HydrophobicContact CB-CD1 4.47Å; V198-I200 HydrophobicContact CB-CG1 3.86Å; V198-I200 HydrophobicContact CG1-CD1 4.1Å; V198-I200 HydrophobicContact CG1-CG1 3.31Å; V198-I200 PolarHBondContact O-N 3.27Å |
| 199 | L | 29.8 | Very low | 36 | Very low | 165 Ų | 165 | 113.9 Ų | 113.9 | 86% | 0.864 | 64% | 0.64 | S | S | * | * | | | trans | -67.5 | 67.2 | 157 | -172.3 | 76.2 | 0 | 0 | 0 | 108.6 | N197 K201 | N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 2.99Å; L199-K201 PolarHBondContact O-N 3.11Å; L199-K201 VanDerWaalsContact O-N 3.14Å |
| 200 | I | 31.4 | Very low | 37.7 | Very low | 140 Ų | 140 | 110 Ų | 110 | 72% | 0.718 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 120.3 | 172.5 | -58.6 | -178.2 | 0 | 0 | 0 | 106.8 | V198 A202 | V198-I200 HydrophobicContact CB-CD1 4.47Å; V198-I200 HydrophobicContact CB-CG1 3.86Å; V198-I200 HydrophobicContact CG1-CD1 4.1Å; V198-I200 HydrophobicContact CG1-CG1 3.31Å; V198-I200 PolarHBondContact O-N 3.27Å; I200-A202 PolarHBondContact O-N 2.93Å |
| 201 | K | 35.3 | Very low | 39.8 | Very low | 152 Ų | 152 | 105 Ų | 105 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 135.2 | 175.4 | -66.6 | 162.8 | 174.1 | 175 | 0 | 109.1 | L199 G203 I228 | L199-K201 PolarHBondContact O-N 3.11Å; L199-K201 VanDerWaalsContact O-N 3.14Å; K201-G203 PolarHBondContact O-N 3.4Å; K201-I228 HydrophobicContact CD-CG2 3.99Å; K201-I228 HydrophobicContact CG-CG2 4.47Å |
| 202 | A | 31.2 | Very low | 42.3 | Very low | 70 Ų | 70 | 104.7 Ų | 104.7 | 58% | 0.579 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -61.1 | 134.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | I200 | I200-A202 PolarHBondContact O-N 2.93Š|
| 203 | G | 31.7 | Very low | 44.5 | Very low | 22 Ų | 22 | 100.1 Ų | 100.1 | 23% | 0.227 | 55% | 0.552 | C | S | . | * | S | Bend | trans | 101.1 | 121.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | K201 E222 S230 | K201-G203 PolarHBondContact O-N 3.4Å; G203-E222 WeakPolarHBondContact CA-OE1 3.28Å; G203-S230 PolarHBondContact N-OG 2.84Å |
| 204 | Q | 35 | Very low | 47.2 | Very low | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | | | trans | 74.8 | 103.4 | 170 | -55 | -177.2 | -17.4 | 0 | 0 | 117.1 | | |
| 205 | D | 49.7 | Very low | 49.9 | Very low | 46 Ų | 46 | 95.3 Ų | 95.3 | 25% | 0.246 | 53% | 0.527 | C | S | . | . | | | trans | -72.7 | 168.2 | 139.1 | 62.1 | 53.7 | 0 | 0 | 0 | 110.9 | Q207 G208 C209 Y211 | D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 VanDerWaalsContact O-N 3.15Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.48Å; D205-Q207 PolarHBondContact OD1-N 2.95Å; D205-G208 PolarHBondContact O-N 3.13Å; D205-G208 PolarHBondContact OD1-N 2.9Å; D205-C209 PolarHBondContact OD1-N 2.75Å; D205-C209 WeakPolarHBondContact OD2-CB 3.2Å; D205-Y211 PolarHBondContact OD2-OH 2.84Å; D205-Y211 VanDerWaalsContact OD2-OH 3.04Å |
| 206 | A | 45.2 | Very low | 52.3 | Low | 113 Ų | 113 | 96.5 Ų | 96.5 | 93% | 0.934 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 2.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 207 | Q | 53.9 | Low | 54.6 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 82% | 0.822 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -10.1 | 179.6 | -60.8 | -169.4 | 9.7 | 0 | 0 | 113.1 | D205 | D205-Q207 PolarHBondContact O-N 2.87Å; D205-Q207 VanDerWaalsContact O-N 3.15Å; D205-Q207 WeakPolarHBondContact OD1-CA 3.48Å; D205-Q207 PolarHBondContact OD1-N 2.95Å |
| 208 | G | 49.3 | Very low | 57.2 | Low | 44 Ų | 44 | 87.7 Ų | 87.7 | 45% | 0.454 | 48% | 0.479 | S | S | . | . | | | trans | 75.2 | 25.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D205 | D205-G208 PolarHBondContact O-N 3.13Å; D205-G208 PolarHBondContact OD1-N 2.9Å |
| 209 | C | 50.8 | Low | 59.7 | Low | 65 Ų | 65 | 84 Ų | 84 | 44% | 0.439 | 46% | 0.457 | S | S | . | . | | | trans | -64.1 | 136.7 | -180 | -63 | 0 | 0 | 0 | 0 | 110.9 | D205 Y211 | D205-C209 PolarHBondContact OD1-N 2.75Å; D205-C209 WeakPolarHBondContact OD2-CB 3.2Å; C209-Y211 PolarHBondContact O-N 3.21Å |
| 210 | S | 67 | Low | 62.4 | Low | 30 Ų | 30 | 78.8 Ų | 78.8 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | | | trans | -78.3 | 115.4 | 171.3 | -55.9 | 0 | 0 | 0 | 0 | 109.6 | Y212 R221 E222 | S210-Y212 WeakPolarHBondContact O-CD2 3.07Å; S210-R221 PolarHBondContact OG-NE 3.42Å; S210-R221 VanDerWaalsContact OG-NE 3.09Å; S210-R221 PolarHBondContact OG-NH2 2.97Å; S210-E222 WeakPolarHBondContact CB-O 3.45Å |
| 211 | Y | 74.8 | Confident | 64.9 | Low | 109 Ų | 109 | 76 Ų | 76 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | | | trans | -69.6 | 140.9 | 171.2 | -69.6 | -90.2 | 0 | 0 | 0 | 110.4 | D205 C209 R221 E222 | D205-Y211 PolarHBondContact OD2-OH 2.84Å; D205-Y211 VanDerWaalsContact OD2-OH 3.04Å; C209-Y211 PolarHBondContact O-N 3.21Å; Y211-R221 CarbonylContact O-C 3.59Å; Y211-R221 WeakPolarHBondContact O-CA 3.46Å; Y211-E222 VanDerWaalsContact CD2-OE2 3.25Å; Y211-E222 WeakPolarHBondContact CD2-OE2 3Å; Y211-E222 PolarHBondContact O-N 3.46Å |
| 212 | Y | 83.8 | Confident | 67.1 | Low | 69 Ų | 69 | 69.2 Ų | 69.2 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.4 | 171.4 | -67.6 | -87.2 | 0 | 0 | 0 | 109.6 | S210 L219 Y220 R221 F246 L259 | S210-Y212 WeakPolarHBondContact O-CD2 3.07Å; Y212-L219 HydrophobicContact CD1-CD2 3.88Å; Y212-L219 HydrophobicContact CD1-CG 4.18Å; Y212-L219 HydrophobicContact CE1-CD2 4.46Å; Y212-Y220 CarbonylContact C-O 3.57Å; Y212-Y220 WeakPolarHBondContact CA-O 2.98Å; Y212-R221 HydrophobicContact CD1-CB 3.88Å; Y212-R221 HydrophobicContact CD1-CG 4.12Å; Y212-R221 HydrophobicContact CE1-CB 3.76Å; Y212-R221 HydrophobicContact CE1-CG 3.71Å; Y212-R221 PolarHBondContact OH-NH1 2.98Å; Y212-F246 HydrophobicContact CE1-CZ 4.06Å; Y212-L259 HydrophobicContact CD2-CD2 4.19Å; Y212-L259 HydrophobicContact CE2-CD2 3.85Å |
| 213 | Y | 79.2 | Confident | 69.3 | Low | 70 Ų | 70 | 72.9 Ų | 72.9 | 28% | 0.275 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 144.5 | 179.5 | 176.9 | -112.1 | 0 | 0 | 0 | 109.4 | R39 D215 Y220 W232 | R39-Y213 PolarHBondContact NH1-OH 2.76Å; Y213-D215 HydrophobicContact CE1-CB 3.83Å; Y213-D215 WeakPolarHBondContact CE1-OD2 3.43Å; Y213-D215 PolarHBondContact OH-OD1 3.11Å; Y213-D215 PolarHBondContact OH-OD2 2.81Å; Y213-Y220 HydrophobicContact CD1-CD2 4.11Å; Y213-Y220 PolarHBondContact N-O 2.86Å; Y213-Y220 PolarHBondContact O-N 3.36Å; Y213-W232 VanDerWaalsContact CB-CZ3 3.48Å |
| 214 | M | 82.8 | Confident | 70.8 | Confident | 82 Ų | 82 | 74.1 Ų | 74.1 | 40% | 0.404 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130.4 | -178.8 | -164 | 179.1 | 77.4 | 0 | 0 | 110.4 | R218 L219 W243 L267 | M214-R218 VanDerWaalsContact CA-O 3.27Å; M214-R218 WeakPolarHBondContact CA-O 3.09Å; M214-R218 VanDerWaalsContact CG-O 3.29Å; M214-R218 WeakPolarHBondContact CG-O 3.33Å; M214-L219 HydrophobicContact CB-CD1 4.09Å; M214-L219 HydrophobicContact CG-CD1 4.39Å; M214-W243 HydrophobicContact CG-CH2 4.48Å; M214-W243 HydrophobicContact SD-CH2 3.72Å; M214-W243 HydrophobicContact SD-CZ2 4.1Å; M214-L267 HydrophobicContact SD-CD2 4.12Å |
| 215 | D | 83.4 | Confident | 72.1 | Confident | 67 Ų | 67 | 73.6 Ų | 73.6 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 141.3 | 175.5 | -117 | -20.7 | 0 | 0 | 0 | 108.8 | Y213 L217 R218 Y220 | Y213-D215 HydrophobicContact CE1-CB 3.83Å; Y213-D215 WeakPolarHBondContact CE1-OD2 3.43Å; Y213-D215 PolarHBondContact OH-OD1 3.11Å; Y213-D215 PolarHBondContact OH-OD2 2.81Å; D215-L217 VanDerWaalsContact C-N 3.32Å; D215-L217 PolarHBondContact O-N 3.11Å; D215-R218 PolarHBondContact N-O 2.93Å; D215-R218 VanDerWaalsContact N-O 3.08Å; D215-R218 WeakPolarHBondContact O-CA 3.33Å; D215-R218 WeakPolarHBondContact O-CB 3.45Å; D215-R218 PolarHBondContact O-N 3.32Å; D215-Y220 HydrophobicContact CB-CE2 3.91Å |
| 216 | D | 85.7 | Confident | 72.3 | Confident | 132 Ų | 132 | 79 Ų | 79 | 71% | 0.706 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.2 | 47.5 | 177.4 | -60 | -24.8 | 0 | 0 | 0 | 115.2 | R218 | D216-R218 PolarHBondContact O-N 3.48Š|
| 217 | L | 83.6 | Confident | 72.5 | Confident | 47 Ų | 47 | 75.7 Ų | 75.7 | 25% | 0.246 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.4 | -175.2 | -58.8 | 176.4 | 0 | 0 | 0 | 114.7 | D215 W243 V271 L275 | D215-L217 VanDerWaalsContact C-N 3.32Å; D215-L217 PolarHBondContact O-N 3.11Å; L217-W243 PolarHBondContact O-NE1 3.06Å; L217-V271 HydrophobicContact CD2-CG2 4.33Å; L217-L275 HydrophobicContact CD1-CD2 3.68Å; L217-L275 HydrophobicContact CD1-CG 4.07Å |
| 218 | R | 83.7 | Confident | 72.1 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 13% | 0.125 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.1 | 173.5 | -57.4 | 176.5 | -173.5 | -153.2 | -7.4 | 110.8 | M214 D215 D216 Y220 V236 | M214-R218 VanDerWaalsContact CA-O 3.27Å; M214-R218 WeakPolarHBondContact CA-O 3.09Å; M214-R218 VanDerWaalsContact CG-O 3.29Å; M214-R218 WeakPolarHBondContact CG-O 3.33Å; D215-R218 PolarHBondContact N-O 2.93Å; D215-R218 VanDerWaalsContact N-O 3.08Å; D215-R218 WeakPolarHBondContact O-CA 3.33Å; D215-R218 WeakPolarHBondContact O-CB 3.45Å; D215-R218 PolarHBondContact O-N 3.32Å; D216-R218 PolarHBondContact O-N 3.48Å; R218-Y220 HydrophobicContact CB-CE2 3.9Å; R218-V236 VanDerWaalsContact CA-O 3.23Å; R218-V236 WeakPolarHBondContact CA-O 3.21Å; R218-V236 VanDerWaalsContact CB-O 3.3Å; R218-V236 WeakPolarHBondContact CB-O 3.37Å |
| 219 | L | 85.9 | Confident | 72.3 | Confident | 11 Ų | 11 | 75.3 Ų | 75.3 | 6% | 0.058 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 119.6 | 172.7 | -163.7 | 74.3 | 0 | 0 | 0 | 109.9 | Y212 M214 V235 V236 W243 F246 | Y212-L219 HydrophobicContact CD1-CD2 3.88Å; Y212-L219 HydrophobicContact CD1-CG 4.18Å; Y212-L219 HydrophobicContact CE1-CD2 4.46Å; M214-L219 HydrophobicContact CB-CD1 4.09Å; M214-L219 HydrophobicContact CG-CD1 4.39Å; L219-V235 PolarHBondContact O-N 3.44Å; L219-V236 HydrophobicContact CB-CB 3.81Å; L219-V236 HydrophobicContact CB-CG2 3.73Å; L219-V236 HydrophobicContact CD2-CG2 4.26Å; L219-V236 PolarHBondContact N-O 3.31Å; L219-V236 VanDerWaalsContact N-O 3.11Å; L219-V236 PolarHBondContact O-N 2.88Å; L219-V236 VanDerWaalsContact O-N 3.11Å; L219-W243 HydrophobicContact CB-CH2 4.27Å; L219-W243 HydrophobicContact CB-CZ2 4.47Å; L219-F246 HydrophobicContact CD2-CD1 4.11Å; L219-F246 HydrophobicContact CD2-CE1 3.37Å; L219-F246 HydrophobicContact CD2-CZ 3.94Å |
| 220 | Y | 86.1 | Confident | 73.2 | Confident | 55 Ų | 55 | 73.2 Ų | 73.2 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 147.1 | 173.2 | -58.3 | -101.5 | 0 | 0 | 0 | 109.7 | Y212 Y213 D215 R218 D233 V234 | Y212-Y220 CarbonylContact C-O 3.57Å; Y212-Y220 WeakPolarHBondContact CA-O 2.98Å; Y213-Y220 HydrophobicContact CD1-CD2 4.11Å; Y213-Y220 PolarHBondContact N-O 2.86Å; Y213-Y220 PolarHBondContact O-N 3.36Å; D215-Y220 HydrophobicContact CB-CE2 3.91Å; R218-Y220 HydrophobicContact CB-CE2 3.9Å; Y220-D233 CarbonylContact C-O 3.12Å; Y220-D233 VanDerWaalsContact CA-O 3.3Å; Y220-D233 WeakPolarHBondContact CA-O 3.46Å; Y220-V234 HydrophobicContact CD1-CG2 3.69Å; Y220-V234 HydrophobicContact CE1-CG2 3.37Å |
| 221 | R | 84.4 | Confident | 73.5 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 31% | 0.306 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 132.1 | 173.3 | -179.9 | -177.8 | 176.1 | 156.3 | 4.8 | 110.1 | S210 Y211 Y212 R223 W232 D233 V235 | S210-R221 PolarHBondContact OG-NE 3.42Å; S210-R221 VanDerWaalsContact OG-NE 3.09Å; S210-R221 PolarHBondContact OG-NH2 2.97Å; Y211-R221 CarbonylContact O-C 3.59Å; Y211-R221 WeakPolarHBondContact O-CA 3.46Å; Y212-R221 HydrophobicContact CD1-CB 3.88Å; Y212-R221 HydrophobicContact CD1-CG 4.12Å; Y212-R221 HydrophobicContact CE1-CB 3.76Å; Y212-R221 HydrophobicContact CE1-CG 3.71Å; Y212-R221 PolarHBondContact OH-NH1 2.98Å; R221-R223 PolarHBondContact O-N 2.68Å; R221-W232 WeakPolarHBondContact O-CA 3.26Å; R221-D233 PolarHBondContact N-O 3.37Å; R221-D233 PolarHBondContact O-N 3.48Å; R221-V235 HydrophobicContact CB-CG2 3.34Å; R221-V235 HydrophobicContact CG-CG2 4.42Å |
| 222 | E | 82.6 | Confident | 73.8 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 118.4 | 167.6 | -179.9 | 169.5 | -175.5 | 0 | 0 | 109.7 | G203 S210 Y211 P224 S230 Q231 W232 | G203-E222 WeakPolarHBondContact CA-OE1 3.28Å; S210-E222 WeakPolarHBondContact CB-O 3.45Å; Y211-E222 VanDerWaalsContact CD2-OE2 3.25Å; Y211-E222 WeakPolarHBondContact CD2-OE2 3Å; Y211-E222 PolarHBondContact O-N 3.46Å; E222-P224 WeakPolarHBondContact O-CD 3.3Å; E222-S230 WeakPolarHBondContact OE1-CB 3.23Å; E222-S230 PolarHBondContact OE1-OG 3.43Å; E222-Q231 CarbonylContact C-O 3.14Å; E222-Q231 WeakPolarHBondContact CA-O 3.5Å; E222-W232 HydrophobicContact CB-CD2 4.31Å; E222-W232 HydrophobicContact CB-CE3 4.07Å; E222-W232 HydrophobicContact CB-CH2 3.89Å; E222-W232 HydrophobicContact CB-CZ2 4.13Å; E222-W232 HydrophobicContact CB-CZ3 3.85Å |
| 223 | R | 76.9 | Confident | 73.7 | Confident | 146 Ų | 146 | 74.1 Ų | 74.1 | 55% | 0.551 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.4 | 157.4 | -75.4 | -167.5 | 178.8 | 126.3 | -5.2 | 108.2 | R221 Q225 Q231 D233 | R221-R223 PolarHBondContact O-N 2.68Å; R223-Q225 PolarHBondContact O-N 3.48Å; R223-Q231 PolarHBondContact N-O 3.39Å; R223-Q231 PolarHBondContact O-N 3.05Å; R223-D233 WeakPolarHBondContact CD-OD2 3.36Å; R223-D233 VanDerWaalsContact CG-OD2 3.24Å; R223-D233 WeakPolarHBondContact CG-OD2 3.39Å; R223-D233 IonicContact CZ-OD2 3.29Å; R223-D233 VanDerWaalsContact CZ-OD2 3.25Å; R223-D233 IonicContact NE-OD2 3.75Å; R223-D233 PolarHBondContact NE-OD2 2.64Å; R223-D233 IonicContact NH1-OD1 3.57Å; R223-D233 PolarHBondContact NH1-OD1 2.99Å; R223-D233 IonicContact NH1-OD2 3.74Å; R223-D233 PolarHBondContact NH1-OD2 3Å |
| 224 | P | 63.4 | Low | 73.7 | Confident | 49 Ų | 49 | 74.1 Ų | 74.1 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | | | trans | -67.4 | 106.8 | 172.6 | 27.1 | -32.8 | 0 | 0 | 0 | 109.1 | E222 | E222-P224 WeakPolarHBondContact O-CD 3.3Š|
| 225 | Q | 61.8 | Low | 73.5 | Confident | 111 Ų | 111 | 72.9 Ų | 72.9 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | | | trans | -86.5 | 151.5 | 169.8 | -154.1 | 171.9 | 81.8 | 0 | 0 | 108.7 | R223 G227 | R223-Q225 PolarHBondContact O-N 3.48Å; Q225-G227 PolarHBondContact O-N 2.87Å |
| 226 | N | 54.5 | Low | 73.5 | Confident | 159 Ų | 159 | 69.7 Ų | 69.7 | 85% | 0.85 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.5 | 72 | -179.2 | -75.4 | 8.4 | 0 | 0 | 0 | 111.5 | | |
| 227 | G | 48.9 | Very low | 73.3 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | S | Bend | trans | 174 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q225 S229 | Q225-G227 PolarHBondContact O-N 2.87Å; G227-S229 PolarHBondContact O-N 3.33Å |
| 228 | I | 46.3 | Very low | 73.2 | Confident | 138 Ų | 138 | 62.7 Ų | 62.7 | 71% | 0.708 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -75.2 | 34.3 | -177.7 | 57.8 | 171.2 | 0 | 0 | 0 | 114 | K201 | K201-I228 HydrophobicContact CD-CG2 3.99Å; K201-I228 HydrophobicContact CG-CG2 4.47Å |
| 229 | S | 53.1 | Low | 73.3 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 51% | 0.51 | 33% | 0.334 | S | S | . | . | | | trans | -145.2 | 94.1 | -171.4 | -178.2 | 0 | 0 | 0 | 0 | 111.2 | G227 Q231 | G227-S229 PolarHBondContact O-N 3.33Å; S229-Q231 PolarHBondContact O-N 3.07Å |
| 230 | S | 69.8 | Low | 73.4 | Confident | 22 Ų | 22 | 64.5 Ų | 64.5 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | | | trans | -60.2 | 121.5 | 167.7 | -53.6 | 0 | 0 | 0 | 0 | 111 | G203 E222 | G203-S230 PolarHBondContact N-OG 2.84Å; E222-S230 WeakPolarHBondContact OE1-CB 3.23Å; E222-S230 PolarHBondContact OE1-OG 3.43Å |
| 231 | Q | 72.8 | Confident | 73.5 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 38% | 0.379 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.5 | 166 | 176.8 | 171.3 | -23.1 | 0 | 0 | 108.7 | E222 R223 S229 D233 | E222-Q231 CarbonylContact C-O 3.14Å; E222-Q231 WeakPolarHBondContact CA-O 3.5Å; R223-Q231 PolarHBondContact N-O 3.39Å; R223-Q231 PolarHBondContact O-N 3.05Å; S229-Q231 PolarHBondContact O-N 3.07Å; Q231-D233 PolarHBondContact NE2-OD1 3.27Å |
| 232 | W | 81.9 | Confident | 73.6 | Confident | 110 Ų | 110 | 67.4 Ų | 67.4 | 42% | 0.417 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.8 | 173.6 | -66.4 | 91.2 | 0 | 0 | 0 | 109.3 | Y213 R221 E222 | Y213-W232 VanDerWaalsContact CB-CZ3 3.48Å; R221-W232 WeakPolarHBondContact O-CA 3.26Å; E222-W232 HydrophobicContact CB-CD2 4.31Å; E222-W232 HydrophobicContact CB-CE3 4.07Å; E222-W232 HydrophobicContact CB-CH2 3.89Å; E222-W232 HydrophobicContact CB-CZ2 4.13Å; E222-W232 HydrophobicContact CB-CZ3 3.85Å |
| 233 | D | 80.3 | Confident | 74 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 19% | 0.187 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.5 | 174.9 | -62.9 | -71.5 | 0 | 0 | 0 | 109.8 | Y220 R221 R223 Q231 V235 | Y220-D233 CarbonylContact C-O 3.12Å; Y220-D233 VanDerWaalsContact CA-O 3.3Å; Y220-D233 WeakPolarHBondContact CA-O 3.46Å; R221-D233 PolarHBondContact N-O 3.37Å; R221-D233 PolarHBondContact O-N 3.48Å; R223-D233 WeakPolarHBondContact CD-OD2 3.36Å; R223-D233 VanDerWaalsContact CG-OD2 3.24Å; R223-D233 WeakPolarHBondContact CG-OD2 3.39Å; R223-D233 IonicContact CZ-OD2 3.29Å; R223-D233 VanDerWaalsContact CZ-OD2 3.25Å; R223-D233 IonicContact NE-OD2 3.75Å; R223-D233 PolarHBondContact NE-OD2 2.64Å; R223-D233 IonicContact NH1-OD1 3.57Å; R223-D233 PolarHBondContact NH1-OD1 2.99Å; R223-D233 IonicContact NH1-OD2 3.74Å; R223-D233 PolarHBondContact NH1-OD2 3Å; Q231-D233 PolarHBondContact NE2-OD1 3.27Å; D233-V235 PolarHBondContact O-N 3.04Å |
| 234 | V | 80.4 | Confident | 74.7 | Confident | 71 Ų | 71 | 63.2 Ų | 63.2 | 43% | 0.43 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 118.7 | 168.9 | 179.2 | 0 | 0 | 0 | 0 | 108.4 | Y220 V236 | Y220-V234 HydrophobicContact CD1-CG2 3.69Å; Y220-V234 HydrophobicContact CE1-CG2 3.37Å; V234-V236 WeakPolarHBondContact CG1-O 3.15Å |
| 235 | V | 77.3 | Confident | 75.8 | Confident | 55 Ų | 55 | 64.6 Ų | 64.6 | 33% | 0.333 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -29.8 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 111 | L219 R221 D233 F246 | L219-V235 PolarHBondContact O-N 3.44Å; R221-V235 HydrophobicContact CB-CG2 3.34Å; R221-V235 HydrophobicContact CG-CG2 4.42Å; D233-V235 PolarHBondContact O-N 3.04Å; V235-F246 HydrophobicContact CG1-CD2 3.35Å; V235-F246 HydrophobicContact CG1-CE2 3.39Å; V235-F246 HydrophobicContact CG1-CG 4.1Å; V235-F246 HydrophobicContact CG1-CZ 4.14Å |
| 236 | V | 83.9 | Confident | 77.2 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.4 | -179.9 | -167.2 | 0 | 0 | 0 | 0 | 109.9 | R218 L219 V234 Q242 W243 F246 | R218-V236 VanDerWaalsContact CA-O 3.23Å; R218-V236 WeakPolarHBondContact CA-O 3.21Å; R218-V236 VanDerWaalsContact CB-O 3.3Å; R218-V236 WeakPolarHBondContact CB-O 3.37Å; L219-V236 HydrophobicContact CB-CB 3.81Å; L219-V236 HydrophobicContact CB-CG2 3.73Å; L219-V236 HydrophobicContact CD2-CG2 4.26Å; L219-V236 PolarHBondContact N-O 3.31Å; L219-V236 VanDerWaalsContact N-O 3.11Å; L219-V236 PolarHBondContact O-N 2.88Å; L219-V236 VanDerWaalsContact O-N 3.11Å; V234-V236 WeakPolarHBondContact CG1-O 3.15Å; V236-Q242 HydrophobicContact CG1-CB 4.4Å; V236-W243 HydrophobicContact CG1-CB 4.1Å; V236-W243 VanDerWaalsContact CG1-CD1 3.41Å; V236-W243 HydrophobicContact CG1-CD2 3.61Å; V236-W243 HydrophobicContact CG1-CE3 4.36Å; V236-W243 HydrophobicContact CG1-CG 3.47Å; V236-W243 VanDerWaalsContact CG1-CG 3.47Å; V236-W243 HydrophobicContact CG1-CZ2 4.41Å; V236-F246 HydrophobicContact CG2-CB 3.46Å; V236-F246 VanDerWaalsContact CG2-CB 3.46Å; V236-F246 HydrophobicContact CG2-CD1 3.28Å; V236-F246 HydrophobicContact CG2-CD2 4.25Å; V236-F246 HydrophobicContact CG2-CE1 4.07Å; V236-F246 HydrophobicContact CG2-CG 3.37Å |
| 237 | G | 81.6 | Confident | 78.9 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | | | trans | -95.9 | -172.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | T239 W243 | G237-T239 VanDerWaalsContact C-N 3.28Å; G237-T239 PolarHBondContact O-N 3.47Å; G237-W243 PolarHBondContact O-NE1 3.14Å |
| 238 | P | 81.7 | Confident | 80.7 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -85.4 | 35.3 | -160.7 | 37.1 | -39.5 | 0 | 0 | 0 | 114.6 | L275 | P238-L275 WeakPolarHBondContact O-CD2 3.46Š|
| 239 | T | 86.1 | Confident | 82.8 | Confident | 55 Ų | 55 | 54.5 Ų | 54.5 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -130.3 | 147.4 | 176.3 | 77.2 | 0 | 0 | 0 | 0 | 112.4 | G237 D241 Q242 W243 | G237-T239 VanDerWaalsContact C-N 3.28Å; G237-T239 PolarHBondContact O-N 3.47Å; T239-D241 VanDerWaalsContact C-N 3.25Å; T239-D241 PolarHBondContact O-N 3.37Å; T239-Q242 PolarHBondContact O-N 2.87Å; T239-Q242 VanDerWaalsContact OG1-CG 3.3Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.3Å; T239-Q242 PolarHBondContact OG1-N 2.81Å; T239-W243 PolarHBondContact O-N 3.38Å |
| 240 | A | 88.3 | Confident | 84.5 | Confident | 26 Ų | 26 | 51.5 Ų | 51.5 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.5 | -37.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q242 W243 L244 F268 L275 | A240-Q242 VanDerWaalsContact C-N 3.34Å; A240-Q242 PolarHBondContact O-N 3.07Å; A240-W243 PolarHBondContact O-N 3.02Å; A240-L244 WeakPolarHBondContact O-CB 3.14Å; A240-L244 PolarHBondContact O-N 2.78Å; A240-F268 WeakPolarHBondContact O-CE2 3.24Å; A240-L275 HydrophobicContact CB-CD1 4.42Å |
| 241 | D | 86.8 | Confident | 85 | Confident | 121 Ų | 121 | 52.6 Ų | 52.6 | 65% | 0.647 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -62.1 | -37.8 | 174.7 | -64.6 | -45.3 | 0 | 0 | 0 | 113.2 | T239 S245 | T239-D241 VanDerWaalsContact C-N 3.25Å; T239-D241 PolarHBondContact O-N 3.37Å; D241-S245 WeakPolarHBondContact O-CB 3.19Å; D241-S245 PolarHBondContact O-N 2.87Å; D241-S245 PolarHBondContact O-OG 3.45Å |
| 242 | Q | 88.4 | Confident | 85.4 | Confident | 76 Ų | 76 | 58 Ų | 58 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -71.8 | -40.5 | 178.2 | -71.4 | 173.2 | 12 | 0 | 0 | 110.9 | V236 T239 A240 S245 F246 | V236-Q242 HydrophobicContact CG1-CB 4.4Å; T239-Q242 PolarHBondContact O-N 2.87Å; T239-Q242 VanDerWaalsContact OG1-CG 3.3Å; T239-Q242 WeakPolarHBondContact OG1-CG 3.3Å; T239-Q242 PolarHBondContact OG1-N 2.81Å; A240-Q242 VanDerWaalsContact C-N 3.34Å; A240-Q242 PolarHBondContact O-N 3.07Å; Q242-S245 PolarHBondContact O-N 3.13Å; Q242-F246 PolarHBondContact O-N 2.79Å |
| 243 | W | 90.9 | Very high | 85.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -49.5 | 171.7 | -86.1 | 88.6 | 0 | 0 | 0 | 112 | M214 L217 L219 V236 G237 T239 A240 S245 F246 I247 L263 L267 F268 V271 | M214-W243 HydrophobicContact CG-CH2 4.48Å; M214-W243 HydrophobicContact SD-CH2 3.72Å; M214-W243 HydrophobicContact SD-CZ2 4.1Å; L217-W243 PolarHBondContact O-NE1 3.06Å; L219-W243 HydrophobicContact CB-CH2 4.27Å; L219-W243 HydrophobicContact CB-CZ2 4.47Å; V236-W243 HydrophobicContact CG1-CB 4.1Å; V236-W243 VanDerWaalsContact CG1-CD1 3.41Å; V236-W243 HydrophobicContact CG1-CD2 3.61Å; V236-W243 HydrophobicContact CG1-CE3 4.36Å; V236-W243 HydrophobicContact CG1-CG 3.47Å; V236-W243 VanDerWaalsContact CG1-CG 3.47Å; V236-W243 HydrophobicContact CG1-CZ2 4.41Å; G237-W243 PolarHBondContact O-NE1 3.14Å; T239-W243 PolarHBondContact O-N 3.38Å; A240-W243 PolarHBondContact O-N 3.02Å; W243-S245 PolarHBondContact O-N 3.35Å; W243-F246 PolarHBondContact O-N 3.42Å; W243-I247 WeakPolarHBondContact O-CB 3.18Å; W243-I247 WeakPolarHBondContact O-CD1 3.33Å; W243-I247 VanDerWaalsContact O-CG1 3.26Å; W243-I247 WeakPolarHBondContact O-CG1 3.43Å; W243-I247 PolarHBondContact O-N 3.35Å; W243-L263 HydrophobicContact CZ3-CD2 4.34Å; W243-L267 HydrophobicContact CH2-CD2 4Å; W243-L267 HydrophobicContact CZ3-CD2 3.87Å; W243-L267 HydrophobicContact CZ3-CG 4.46Å; W243-F268 HydrophobicContact CB-CD2 3.87Å; W243-F268 HydrophobicContact CB-CE2 3.72Å; W243-V271 HydrophobicContact CD2-CG1 3.89Å; W243-V271 HydrophobicContact CG-CG1 3.92Å; W243-V271 HydrophobicContact CH2-CG2 4.43Å; W243-V271 HydrophobicContact CZ2-CG1 4.44Å; W243-V271 HydrophobicContact CZ2-CG2 4.37Å |
| 244 | L | 89.9 | Confident | 85.4 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.9 | -43.9 | 177.6 | -175.1 | 61.1 | 0 | 0 | 0 | 111.6 | A240 F246 I247 M248 F268 | A240-L244 WeakPolarHBondContact O-CB 3.14Å; A240-L244 PolarHBondContact O-N 2.78Å; L244-F246 PolarHBondContact O-N 3.4Å; L244-I247 PolarHBondContact O-N 3Å; L244-M248 HydrophobicContact CD1-CG 4.46Å; L244-M248 HydrophobicContact CD1-SD 4.35Å; L244-M248 HydrophobicContact CG-SD 4.27Å; L244-M248 WeakPolarHBondContact O-CB 3.42Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3.17Å; L244-F268 HydrophobicContact CB-CE2 4.04Å; L244-F268 HydrophobicContact CB-CZ 3.86Å; L244-F268 HydrophobicContact CD1-CE1 4.27Å; L244-F268 HydrophobicContact CD1-CZ 4.24Å; L244-F268 HydrophobicContact CG-CZ 4.49Å |
| 245 | S | 88.2 | Confident | 85.3 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.7 | -42.7 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | D241 Q242 W243 M248 S249 | D241-S245 WeakPolarHBondContact O-CB 3.19Å; D241-S245 PolarHBondContact O-N 2.87Å; D241-S245 PolarHBondContact O-OG 3.45Å; Q242-S245 PolarHBondContact O-N 3.13Å; W243-S245 PolarHBondContact O-N 3.35Å; S245-M248 PolarHBondContact O-N 3.42Å; S245-S249 WeakPolarHBondContact O-CB 2.89Å; S245-S249 PolarHBondContact O-N 2.8Å |
| 246 | F | 89.3 | Confident | 85.6 | Confident | 13 Ų | 13 | 61.9 Ų | 61.9 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68.3 | -44.8 | 176.2 | 169.4 | -112.7 | 0 | 0 | 0 | 112.4 | Y212 L219 V235 V236 Q242 W243 L244 M248 S249 L250 L263 | Y212-F246 HydrophobicContact CE1-CZ 4.06Å; L219-F246 HydrophobicContact CD2-CD1 4.11Å; L219-F246 HydrophobicContact CD2-CE1 3.37Å; L219-F246 HydrophobicContact CD2-CZ 3.94Å; V235-F246 HydrophobicContact CG1-CD2 3.35Å; V235-F246 HydrophobicContact CG1-CE2 3.39Å; V235-F246 HydrophobicContact CG1-CG 4.1Å; V235-F246 HydrophobicContact CG1-CZ 4.14Å; V236-F246 HydrophobicContact CG2-CB 3.46Å; V236-F246 VanDerWaalsContact CG2-CB 3.46Å; V236-F246 HydrophobicContact CG2-CD1 3.28Å; V236-F246 HydrophobicContact CG2-CD2 4.25Å; V236-F246 HydrophobicContact CG2-CE1 4.07Å; V236-F246 HydrophobicContact CG2-CG 3.37Å; Q242-F246 PolarHBondContact O-N 2.79Å; W243-F246 PolarHBondContact O-N 3.42Å; L244-F246 PolarHBondContact O-N 3.4Å; F246-M248 PolarHBondContact O-N 3.23Å; F246-S249 WeakPolarHBondContact CA-OG 3.29Å; F246-S249 WeakPolarHBondContact CD2-OG 2.94Å; F246-S249 WeakPolarHBondContact O-CA 3.22Å; F246-S249 WeakPolarHBondContact O-CB 3.48Å; F246-S249 PolarHBondContact O-N 2.64Å; F246-S249 PolarHBondContact O-OG 2.92Å; F246-L250 HydrophobicContact CE1-CD1 4.07Å; F246-L250 HydrophobicContact CE1-CG 4.3Å; F246-L250 HydrophobicContact CE2-CD2 3.88Å; F246-L250 HydrophobicContact CE2-CG 4.07Å; F246-L250 HydrophobicContact CZ-CD1 4.02Å; F246-L250 HydrophobicContact CZ-CD2 3.7Å; F246-L250 HydrophobicContact CZ-CG 3.87Å; F246-L250 PolarHBondContact O-N 2.9Å; F246-L250 VanDerWaalsContact O-N 3.15Å; F246-L263 HydrophobicContact CD1-CD1 4.29Å; F246-L263 HydrophobicContact CE1-CD1 3.62Å |
| 247 | I | 90.2 | Very high | 85.7 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.1 | -41.5 | 175.3 | -70.5 | 165.7 | 0 | 0 | 0 | 109.8 | W243 L244 S249 L250 Y260 L263 K264 F268 | W243-I247 WeakPolarHBondContact O-CB 3.18Å; W243-I247 WeakPolarHBondContact O-CD1 3.33Å; W243-I247 VanDerWaalsContact O-CG1 3.26Å; W243-I247 WeakPolarHBondContact O-CG1 3.43Å; W243-I247 PolarHBondContact O-N 3.35Å; L244-I247 PolarHBondContact O-N 3Å; I247-S249 VanDerWaalsContact C-N 3.26Å; I247-S249 PolarHBondContact O-N 3.36Å; I247-L250 PolarHBondContact O-N 2.86Å; I247-Y260 HydrophobicContact CG2-CD2 3.95Å; I247-Y260 HydrophobicContact CG2-CE2 3.82Å; I247-Y260 WeakPolarHBondContact O-CD2 2.94Å; I247-Y260 WeakPolarHBondContact O-CE2 2.98Å; I247-L263 HydrophobicContact CD1-CB 4.09Å; I247-L263 HydrophobicContact CG1-CB 3.88Å; I247-K264 HydrophobicContact CG2-CB 3.85Å; I247-K264 HydrophobicContact CG2-CD 4.49Å; I247-K264 HydrophobicContact CG2-CG 4.2Å; I247-F268 HydrophobicContact CD1-CB 3.77Å; I247-F268 HydrophobicContact CD1-CD2 3.76Å; I247-F268 HydrophobicContact CD1-CG 3.92Å |
| 248 | M | 88.5 | Confident | 85.9 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 70% | 0.704 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.9 | -14.2 | 174.4 | -68.9 | -174.5 | 68 | 0 | 0 | 114.5 | L244 S245 F246 | L244-M248 HydrophobicContact CD1-CG 4.46Å; L244-M248 HydrophobicContact CD1-SD 4.35Å; L244-M248 HydrophobicContact CG-SD 4.27Å; L244-M248 WeakPolarHBondContact O-CB 3.42Å; L244-M248 WeakPolarHBondContact O-CG 3.42Å; L244-M248 PolarHBondContact O-N 3.17Å; S245-M248 PolarHBondContact O-N 3.42Å; F246-M248 PolarHBondContact O-N 3.23Å |
| 249 | S | 88.7 | Confident | 86.1 | Confident | 82 Ų | 82 | 72.8 Ų | 72.8 | 57% | 0.573 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -88.6 | -20.3 | 176 | 80.4 | 0 | 0 | 0 | 0 | 114.3 | S245 F246 I247 | S245-S249 WeakPolarHBondContact O-CB 2.89Å; S245-S249 PolarHBondContact O-N 2.8Å; F246-S249 WeakPolarHBondContact CA-OG 3.29Å; F246-S249 WeakPolarHBondContact CD2-OG 2.94Å; F246-S249 WeakPolarHBondContact O-CA 3.22Å; F246-S249 WeakPolarHBondContact O-CB 3.48Å; F246-S249 PolarHBondContact O-N 2.64Å; F246-S249 PolarHBondContact O-OG 2.92Å; I247-S249 VanDerWaalsContact C-N 3.26Å; I247-S249 PolarHBondContact O-N 3.36Å |
| 250 | L | 88.7 | Confident | 86.3 | Confident | 11 Ų | 11 | 71.4 Ų | 71.4 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -64.5 | 135.9 | 174.6 | -74.6 | 176 | 0 | 0 | 0 | 110.5 | F246 I247 L259 L263 | F246-L250 HydrophobicContact CE1-CD1 4.07Å; F246-L250 HydrophobicContact CE1-CG 4.3Å; F246-L250 HydrophobicContact CE2-CD2 3.88Å; F246-L250 HydrophobicContact CE2-CG 4.07Å; F246-L250 HydrophobicContact CZ-CD1 4.02Å; F246-L250 HydrophobicContact CZ-CD2 3.7Å; F246-L250 HydrophobicContact CZ-CG 3.87Å; F246-L250 PolarHBondContact O-N 2.9Å; F246-L250 VanDerWaalsContact O-N 3.15Å; I247-L250 PolarHBondContact O-N 2.86Å; L250-L259 HydrophobicContact CD1-CB 4.43Å; L250-L259 HydrophobicContact CD1-CD2 4Å; L250-L259 HydrophobicContact CD1-CG 3.89Å; L250-L259 HydrophobicContact CD2-CD2 4.16Å; L250-L263 HydrophobicContact CD1-CD1 3.75Å |
| 251 | S | 82.1 | Confident | 86.3 | Confident | 45 Ų | 45 | 71.4 Ų | 71.4 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | | | trans | -78.5 | 145.1 | -176 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | N253 E256 | S251-N253 PolarHBondContact O-N 2.86Å; S251-N253 PolarHBondContact OG-ND2 2.78Å; S251-E256 WeakPolarHBondContact CB-OE2 3.31Å; S251-E256 PolarHBondContact N-OE2 2.6Å; S251-E256 WeakPolarHBondContact O-CB 3.37Å; S251-E256 PolarHBondContact OG-OE2 3.47Å |
| 252 | R | 80.8 | Confident | 86.4 | Confident | 194 Ų | 194 | 68.8 Ų | 68.8 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | | | trans | -80.6 | 35.6 | 176.2 | -57.8 | -175.5 | -173.9 | 178.5 | 3.1 | 112.6 | Y257 | R252-Y257 HydrophobicContact CB-CD2 4.13Å; R252-Y257 HydrophobicContact CG-CD2 4.35Å |
| 253 | N | 83.3 | Confident | 86.5 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -90.8 | 152.7 | 170.7 | 90.5 | 60.4 | 0 | 0 | 0 | 109.1 | S251 K255 E256 Y257 | S251-N253 PolarHBondContact O-N 2.86Å; S251-N253 PolarHBondContact OG-ND2 2.78Å; N253-K255 PolarHBondContact O-N 2.75Å; N253-K255 WeakPolarHBondContact OD1-CA 3.48Å; N253-K255 VanDerWaalsContact OD1-CB 3.27Å; N253-K255 WeakPolarHBondContact OD1-CB 3.29Å; N253-K255 PolarHBondContact OD1-N 2.88Å; N253-E256 PolarHBondContact O-N 3.15Å; N253-Y257 WeakPolarHBondContact O-CB 3.12Å; N253-Y257 PolarHBondContact O-N 2.77Å |
| 254 | E | 78.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 27% | 0.271 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -18.3 | -172.4 | -63.3 | 172.9 | -144.4 | 0 | 0 | 115.1 | I1402 P1403 S1404 | E254-I1402 WeakPolarHBondContact OE2-CB 3.45Å; E254-I1402 VanDerWaalsContact OE2-CG2 3.26Å; E254-I1402 WeakPolarHBondContact OE2-CG2 3.14Å; E254-P1403 WeakPolarHBondContact OE2-CA 3.11Å; E254-S1404 PolarHBondContact OE2-N 3.34Å; E254-S1404 VanDerWaalsContact OE2-N 3.13Å |
| 255 | K | 78.6 | Confident | 86.3 | Confident | 178 Ų | 178 | 73.8 Ų | 73.8 | 77% | 0.774 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -19.9 | 176.4 | -53.2 | -174 | 178 | -171.7 | 0 | 114.1 | N253 | N253-K255 PolarHBondContact O-N 2.75Å; N253-K255 WeakPolarHBondContact OD1-CA 3.48Å; N253-K255 VanDerWaalsContact OD1-CB 3.27Å; N253-K255 WeakPolarHBondContact OD1-CB 3.29Å; N253-K255 PolarHBondContact OD1-N 2.88Å |
| 256 | E | 84.5 | Confident | 86.2 | Confident | 47 Ų | 47 | 74.4 Ų | 74.4 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -14.5 | 179.3 | -72.3 | -173.6 | 164.6 | 0 | 0 | 112.9 | S251 N253 L259 Y260 | S251-E256 WeakPolarHBondContact CB-OE2 3.31Å; S251-E256 PolarHBondContact N-OE2 2.6Å; S251-E256 WeakPolarHBondContact O-CB 3.37Å; S251-E256 PolarHBondContact OG-OE2 3.47Å; N253-E256 PolarHBondContact O-N 3.15Å; E256-L259 WeakPolarHBondContact O-CB 3.41Å; E256-L259 PolarHBondContact O-N 3.26Å; E256-Y260 PolarHBondContact O-N 2.98Å |
| 257 | Y | 85.4 | Confident | 86.1 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 42% | 0.424 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -178.1 | -171.6 | -105.3 | 0 | 0 | 0 | 113 | R252 N253 L259 Y260 C261 | R252-Y257 HydrophobicContact CB-CD2 4.13Å; R252-Y257 HydrophobicContact CG-CD2 4.35Å; N253-Y257 WeakPolarHBondContact O-CB 3.12Å; N253-Y257 PolarHBondContact O-N 2.77Å; Y257-L259 VanDerWaalsContact C-N 3.28Å; Y257-L259 PolarHBondContact O-N 2.81Å; Y257-Y260 HydrophobicContact CD2-CD1 4.29Å; Y257-Y260 HydrophobicContact CE2-CD1 4.2Å; Y257-Y260 WeakPolarHBondContact O-CB 3.44Å; Y257-Y260 PolarHBondContact O-N 2.93Å; Y257-C261 PolarHBondContact O-N 3.36Å; Y257-C261 PolarHBondContact O-SG 2.87Å; Y257-C261 VanDerWaalsContact O-SG 3.36Å |
| 258 | D | 85.5 | Confident | 86.1 | Confident | 109 Ų | 109 | 76 Ų | 76 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.1 | -36.3 | 174.6 | -67.8 | -6.4 | 0 | 0 | 0 | 111.6 | F262 | D258-F262 VanDerWaalsContact O-CB 3.24Å; D258-F262 WeakPolarHBondContact O-CB 3.47Å; D258-F262 PolarHBondContact O-N 3.21Å |
| 259 | L | 86.7 | Confident | 86 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 173.7 | -176.4 | 65.3 | 0 | 0 | 0 | 111.1 | Y212 L250 E256 Y257 L263 | Y212-L259 HydrophobicContact CD2-CD2 4.19Å; Y212-L259 HydrophobicContact CE2-CD2 3.85Å; L250-L259 HydrophobicContact CD1-CB 4.43Å; L250-L259 HydrophobicContact CD1-CD2 4Å; L250-L259 HydrophobicContact CD1-CG 3.89Å; L250-L259 HydrophobicContact CD2-CD2 4.16Å; E256-L259 WeakPolarHBondContact O-CB 3.41Å; E256-L259 PolarHBondContact O-N 3.26Å; Y257-L259 VanDerWaalsContact C-N 3.28Å; Y257-L259 PolarHBondContact O-N 2.81Å; L259-L263 HydrophobicContact CD1-CD1 3.91Å; L259-L263 HydrophobicContact CD1-CD2 4.31Å; L259-L263 HydrophobicContact CD1-CG 3.88Å; L259-L263 HydrophobicContact CG-CD1 3.86Å; L259-L263 HydrophobicContact CG-CG 4.19Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.39Å; L259-L263 WeakPolarHBondContact O-CG 3.41Å; L259-L263 PolarHBondContact O-N 3.08Å |
| 260 | Y | 90.1 | Very high | 85.9 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 11% | 0.106 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.8 | -49 | 173 | 170.9 | -95.8 | 0 | 0 | 0 | 111.6 | I247 E256 Y257 K264 | I247-Y260 HydrophobicContact CG2-CD2 3.95Å; I247-Y260 HydrophobicContact CG2-CE2 3.82Å; I247-Y260 WeakPolarHBondContact O-CD2 2.94Å; I247-Y260 WeakPolarHBondContact O-CE2 2.98Å; E256-Y260 PolarHBondContact O-N 2.98Å; Y257-Y260 HydrophobicContact CD2-CD1 4.29Å; Y257-Y260 HydrophobicContact CE2-CD1 4.2Å; Y257-Y260 WeakPolarHBondContact O-CB 3.44Å; Y257-Y260 PolarHBondContact O-N 2.93Å; Y260-K264 HydrophobicContact CE1-CD 4.09Å; Y260-K264 HydrophobicContact CE2-CD 4.36Å; Y260-K264 WeakPolarHBondContact O-CB 3.21Å; Y260-K264 PolarHBondContact O-N 2.98Å; Y260-K264 WeakPolarHBondContact OH-CD 2.82Å; Y260-K264 PolarHBondContact OH-NZ 2.89Å |
| 261 | C | 87.7 | Confident | 85.7 | Confident | 26 Ų | 26 | 74.5 Ų | 74.5 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.4 | -49.7 | 179.4 | -68.7 | 0 | 0 | 0 | 0 | 111.4 | Y257 L263 K264 Q265 | Y257-C261 PolarHBondContact O-N 3.36Å; Y257-C261 PolarHBondContact O-SG 2.87Å; Y257-C261 VanDerWaalsContact O-SG 3.36Å; C261-L263 PolarHBondContact O-N 2.84Å; C261-K264 PolarHBondContact O-N 3.43Å; C261-Q265 WeakPolarHBondContact O-CB 3.34Å; C261-Q265 PolarHBondContact O-N 3.45Å |
| 262 | F | 87.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 29% | 0.289 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.5 | -50.5 | 177.1 | 173.9 | -111.1 | 0 | 0 | 0 | 112.4 | R36 D258 K264 D266 L267 | R36-F262 VanDerWaalsContact NH1-CE2 3.33Å; D258-F262 VanDerWaalsContact O-CB 3.24Å; D258-F262 WeakPolarHBondContact O-CB 3.47Å; D258-F262 PolarHBondContact O-N 3.21Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 3.25Å; F262-D266 HydrophobicContact CD2-CB 3.81Å; F262-D266 WeakPolarHBondContact CD2-OD2 3.27Å; F262-D266 HydrophobicContact CE2-CB 3.78Å; F262-D266 WeakPolarHBondContact CE2-OD2 3.21Å; F262-D266 WeakPolarHBondContact O-CB 2.87Å; F262-D266 PolarHBondContact O-N 3.18Å; F262-L267 PolarHBondContact O-N 3.48Å |
| 263 | L | 90.9 | Very high | 86.1 | Confident | 4 Ų | 4 | 72.4 Ų | 72.4 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | I | π-helix | trans | -66.1 | -36.3 | -179.4 | -65.9 | 179.2 | 0 | 0 | 0 | 111.8 | W243 F246 I247 L250 L259 C261 L267 F268 | W243-L263 HydrophobicContact CZ3-CD2 4.34Å; F246-L263 HydrophobicContact CD1-CD1 4.29Å; F246-L263 HydrophobicContact CE1-CD1 3.62Å; I247-L263 HydrophobicContact CD1-CB 4.09Å; I247-L263 HydrophobicContact CG1-CB 3.88Å; L250-L263 HydrophobicContact CD1-CD1 3.75Å; L259-L263 HydrophobicContact CD1-CD1 3.91Å; L259-L263 HydrophobicContact CD1-CD2 4.31Å; L259-L263 HydrophobicContact CD1-CG 3.88Å; L259-L263 HydrophobicContact CG-CD1 3.86Å; L259-L263 HydrophobicContact CG-CG 4.19Å; L259-L263 VanDerWaalsContact O-CB 3.31Å; L259-L263 WeakPolarHBondContact O-CB 3.39Å; L259-L263 WeakPolarHBondContact O-CG 3.41Å; L259-L263 PolarHBondContact O-N 3.08Å; C261-L263 PolarHBondContact O-N 2.84Å; L263-L267 HydrophobicContact CD2-CD2 3.67Å; L263-F268 WeakPolarHBondContact O-CA 3.17Å; L263-F268 WeakPolarHBondContact O-CB 2.96Å; L263-F268 PolarHBondContact O-N 3.2Å |
| 264 | K | 91 | Very high | 86.1 | Confident | 99 Ų | 99 | 70.9 Ų | 70.9 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -78.5 | -39.1 | -177.7 | -170.2 | -178.7 | 178.6 | -166.9 | 0 | 114.1 | I247 Y260 C261 F262 | I247-K264 HydrophobicContact CG2-CB 3.85Å; I247-K264 HydrophobicContact CG2-CD 4.49Å; I247-K264 HydrophobicContact CG2-CG 4.2Å; Y260-K264 HydrophobicContact CE1-CD 4.09Å; Y260-K264 HydrophobicContact CE2-CD 4.36Å; Y260-K264 WeakPolarHBondContact O-CB 3.21Å; Y260-K264 PolarHBondContact O-N 2.98Å; Y260-K264 WeakPolarHBondContact OH-CD 2.82Å; Y260-K264 PolarHBondContact OH-NZ 2.89Å; C261-K264 PolarHBondContact O-N 3.43Å; F262-K264 VanDerWaalsContact C-N 3.32Å; F262-K264 PolarHBondContact O-N 3.25Å |
| 265 | Q | 86.8 | Confident | 86.2 | Confident | 145 Ų | 145 | 69.2 Ų | 69.2 | 68% | 0.678 | 33% | 0.331 | S | S | * | . | I | π-helix | trans | -94.4 | -48.4 | -172.8 | -66.2 | 179.4 | -38.1 | 0 | 0 | 112.2 | C261 | C261-Q265 WeakPolarHBondContact O-CB 3.34Å; C261-Q265 PolarHBondContact O-N 3.45Å |
| 266 | D | 84.7 | Confident | 86.3 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -87.3 | -37.2 | -174 | -64.7 | -4.4 | 0 | 0 | 0 | 112.4 | R36 F262 | R36-D266 IonicContact NH1-OD2 3.55Å; R36-D266 PolarHBondContact NH1-OD2 2.85Å; F262-D266 HydrophobicContact CD2-CB 3.81Å; F262-D266 WeakPolarHBondContact CD2-OD2 3.27Å; F262-D266 HydrophobicContact CE2-CB 3.78Å; F262-D266 WeakPolarHBondContact CE2-OD2 3.21Å; F262-D266 WeakPolarHBondContact O-CB 2.87Å; F262-D266 PolarHBondContact O-N 3.18Å |
| 267 | L | 88.1 | Confident | 85.7 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | I | π-helix | trans | -105.5 | -37.4 | -168.3 | -169.4 | 61.5 | 0 | 0 | 0 | 114.6 | M214 W243 F262 L263 E269 L270 V271 | M214-L267 HydrophobicContact SD-CD2 4.12Å; W243-L267 HydrophobicContact CH2-CD2 4Å; W243-L267 HydrophobicContact CZ3-CD2 3.87Å; W243-L267 HydrophobicContact CZ3-CG 4.46Å; F262-L267 PolarHBondContact O-N 3.48Å; L263-L267 HydrophobicContact CD2-CD2 3.67Å; L267-E269 PolarHBondContact O-N 3.02Å; L267-L270 PolarHBondContact O-N 2.81Å; L267-V271 HydrophobicContact CD1-CG2 3.95Å; L267-V271 HydrophobicContact CG-CG2 3.86Å; L267-V271 WeakPolarHBondContact O-CB 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.91Å |
| 268 | F | 90.5 | Very high | 84.6 | Confident | 20 Ų | 20 | 66.3 Ų | 66.3 | 9% | 0.088 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | -170.9 | -179 | -111.8 | 0 | 0 | 0 | 113.2 | A240 W243 L244 I247 L263 L270 V271 K272 | A240-F268 WeakPolarHBondContact O-CE2 3.24Å; W243-F268 HydrophobicContact CB-CD2 3.87Å; W243-F268 HydrophobicContact CB-CE2 3.72Å; L244-F268 HydrophobicContact CB-CE2 4.04Å; L244-F268 HydrophobicContact CB-CZ 3.86Å; L244-F268 HydrophobicContact CD1-CE1 4.27Å; L244-F268 HydrophobicContact CD1-CZ 4.24Å; L244-F268 HydrophobicContact CG-CZ 4.49Å; I247-F268 HydrophobicContact CD1-CB 3.77Å; I247-F268 HydrophobicContact CD1-CD2 3.76Å; I247-F268 HydrophobicContact CD1-CG 3.92Å; L263-F268 WeakPolarHBondContact O-CA 3.17Å; L263-F268 WeakPolarHBondContact O-CB 2.96Å; L263-F268 PolarHBondContact O-N 3.2Å; F268-L270 VanDerWaalsContact C-N 3.34Å; F268-L270 PolarHBondContact O-N 3.29Å; F268-V271 PolarHBondContact O-N 2.89Å; F268-K272 HydrophobicContact CE1-CD 4.21Å; F268-K272 HydrophobicContact CZ-CD 4.38Å; F268-K272 WeakPolarHBondContact O-CB 3.41Å; F268-K272 PolarHBondContact O-N 3.29Å |
| 269 | E | 86.3 | Confident | 82.7 | Confident | 104 Ų | 104 | 68.8 Ų | 68.8 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.9 | -67.9 | -62.9 | 168 | 0 | 0 | 111.6 | L267 K272 E273 | L267-E269 PolarHBondContact O-N 3.02Å; E269-K272 PolarHBondContact O-N 2.83Å; E269-K272 IonicContact OE2-NZ 2.77Å; E269-K272 PolarHBondContact OE2-NZ 3.22Å; E269-E273 VanDerWaalsContact O-CB 3.24Å; E269-E273 WeakPolarHBondContact O-CB 3.38Å; E269-E273 PolarHBondContact O-N 3.12Å |
| 270 | L | 85.4 | Confident | 81 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 174.8 | -178.6 | 65.2 | 0 | 0 | 0 | 112.4 | L267 F268 S274 | L267-L270 PolarHBondContact O-N 2.81Å; F268-L270 VanDerWaalsContact C-N 3.34Å; F268-L270 PolarHBondContact O-N 3.29Å; L270-S274 VanDerWaalsContact O-CB 3.29Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.27Å; L270-S274 PolarHBondContact O-OG 2.92Å |
| 271 | V | 85.5 | Confident | 79 | Confident | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.018 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.3 | -40.9 | 174.7 | 168.1 | 0 | 0 | 0 | 0 | 110.7 | L217 W243 L267 F268 S274 L275 | L217-V271 HydrophobicContact CD2-CG2 4.33Å; W243-V271 HydrophobicContact CD2-CG1 3.89Å; W243-V271 HydrophobicContact CG-CG1 3.92Å; W243-V271 HydrophobicContact CH2-CG2 4.43Å; W243-V271 HydrophobicContact CZ2-CG1 4.44Å; W243-V271 HydrophobicContact CZ2-CG2 4.37Å; L267-V271 HydrophobicContact CD1-CG2 3.95Å; L267-V271 HydrophobicContact CG-CG2 3.86Å; L267-V271 WeakPolarHBondContact O-CB 3.27Å; L267-V271 WeakPolarHBondContact O-CG2 3.29Å; L267-V271 PolarHBondContact O-N 2.91Å; F268-V271 PolarHBondContact O-N 2.89Å; V271-S274 WeakPolarHBondContact O-CB 3.13Å; V271-S274 PolarHBondContact O-N 3.28Å; V271-L275 HydrophobicContact CG1-CD1 3.91Å; V271-L275 HydrophobicContact CG1-CG 4.45Å; V271-L275 WeakPolarHBondContact O-CB 3.48Å; V271-L275 VanDerWaalsContact O-CG 3.25Å; V271-L275 WeakPolarHBondContact O-CG 3.45Å; V271-L275 PolarHBondContact O-N 3.36Å |
| 272 | K | 86.9 | Confident | 77.2 | Confident | 67 Ų | 67 | 79 Ų | 79 | 29% | 0.291 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.3 | -50.8 | 175.7 | 175.9 | 173.3 | 136.9 | -70.9 | 0 | 110.7 | F268 E269 S274 L275 D276 | F268-K272 HydrophobicContact CE1-CD 4.21Å; F268-K272 HydrophobicContact CZ-CD 4.38Å; F268-K272 WeakPolarHBondContact O-CB 3.41Å; F268-K272 PolarHBondContact O-N 3.29Å; E269-K272 PolarHBondContact O-N 2.83Å; E269-K272 IonicContact OE2-NZ 2.77Å; E269-K272 PolarHBondContact OE2-NZ 3.22Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.22Å; K272-L275 CarbonylContact O-C 3.59Å; K272-L275 WeakPolarHBondContact O-CA 3.19Å; K272-L275 PolarHBondContact O-N 3.32Å; K272-D276 VanDerWaalsContact CG-OD2 3.31Å; K272-D276 WeakPolarHBondContact CG-OD2 3.32Å; K272-D276 WeakPolarHBondContact O-CB 3.46Å; K272-D276 PolarHBondContact O-N 3.26Å |
| 273 | E | 85.2 | Confident | 75.3 | Confident | 127 Ų | 127 | 81.8 Ų | 81.8 | 59% | 0.593 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -55.9 | -39.7 | 172.5 | -175.3 | 178 | -158 | 0 | 0 | 111.6 | E269 L275 D276 A277 | E269-E273 VanDerWaalsContact O-CB 3.24Å; E269-E273 WeakPolarHBondContact O-CB 3.38Å; E269-E273 PolarHBondContact O-N 3.12Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.71Å; E273-D276 PolarHBondContact O-N 2.76Å; E273-A277 WeakPolarHBondContact O-CB 3.2Å; E273-A277 PolarHBondContact O-N 3.17Å |
| 274 | S | 82 | Confident | 73.4 | Confident | 38 Ų | 38 | 85.8 Ų | 85.8 | 27% | 0.266 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.8 | -32.8 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | L270 V271 K272 L278 | L270-S274 VanDerWaalsContact O-CB 3.29Å; L270-S274 WeakPolarHBondContact O-CB 3.31Å; L270-S274 PolarHBondContact O-N 3.27Å; L270-S274 PolarHBondContact O-OG 2.92Å; V271-S274 WeakPolarHBondContact O-CB 3.13Å; V271-S274 PolarHBondContact O-N 3.28Å; K272-S274 VanDerWaalsContact C-N 3.25Å; K272-S274 PolarHBondContact O-N 3.22Å; S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 WeakPolarHBondContact O-CD1 3.46Å; S274-L278 PolarHBondContact O-N 2.68Å; S274-L278 VanDerWaalsContact O-N 3.15Å |
| 275 | L | 81.2 | Confident | 71.8 | Confident | 23 Ų | 23 | 85.3 Ų | 85.3 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -84.6 | -24.9 | 178.3 | -70.7 | 172.2 | 0 | 0 | 0 | 113.1 | L217 P238 A240 V271 K272 E273 L280 | L217-L275 HydrophobicContact CD1-CD2 3.68Å; L217-L275 HydrophobicContact CD1-CG 4.07Å; P238-L275 WeakPolarHBondContact O-CD2 3.46Å; A240-L275 HydrophobicContact CB-CD1 4.42Å; V271-L275 HydrophobicContact CG1-CD1 3.91Å; V271-L275 HydrophobicContact CG1-CG 4.45Å; V271-L275 WeakPolarHBondContact O-CB 3.48Å; V271-L275 VanDerWaalsContact O-CG 3.25Å; V271-L275 WeakPolarHBondContact O-CG 3.45Å; V271-L275 PolarHBondContact O-N 3.36Å; K272-L275 CarbonylContact O-C 3.59Å; K272-L275 WeakPolarHBondContact O-CA 3.19Å; K272-L275 PolarHBondContact O-N 3.32Å; E273-L275 VanDerWaalsContact C-N 3.34Å; E273-L275 PolarHBondContact O-N 2.71Å; L275-L280 HydrophobicContact CD2-CD1 4.49Å |
| 276 | D | 79.3 | Confident | 70.4 | Confident | 96 Ų | 96 | 84.6 Ų | 84.6 | 51% | 0.513 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -83.2 | -33.1 | 174.5 | -63.4 | -20.1 | 0 | 0 | 0 | 110.9 | K272 E273 | K272-D276 VanDerWaalsContact CG-OD2 3.31Å; K272-D276 WeakPolarHBondContact CG-OD2 3.32Å; K272-D276 WeakPolarHBondContact O-CB 3.46Å; K272-D276 PolarHBondContact O-N 3.26Å; E273-D276 PolarHBondContact O-N 2.76Å |
| 277 | A | 73.5 | Confident | 68.9 | Low | 80 Ų | 80 | 83.2 Ų | 83.2 | 66% | 0.661 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -91.6 | -21.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | E273 E279 | E273-A277 WeakPolarHBondContact O-CB 3.2Å; E273-A277 PolarHBondContact O-N 3.17Å; A277-E279 PolarHBondContact O-N 3.43Å |
| 278 | L | 61.6 | Low | 67.6 | Low | 97 Ų | 97 | 85.2 Ų | 85.2 | 51% | 0.508 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -72.2 | 119.9 | 153.1 | -93.5 | 81.4 | 0 | 0 | 0 | 107.1 | S274 L280 | S274-L278 WeakPolarHBondContact O-CB 3.36Å; S274-L278 WeakPolarHBondContact O-CD1 3.46Å; S274-L278 PolarHBondContact O-N 2.68Å; S274-L278 VanDerWaalsContact O-N 3.15Å; L278-L280 HydrophobicContact CB-CD1 3.86Å; L278-L280 HydrophobicContact CB-CG 4.09Å; L278-L280 HydrophobicContact CD2-CD1 4.09Å; L278-L280 PolarHBondContact O-N 2.68Å |
| 279 | E | 46.4 | Very low | 66.3 | Low | 160 Ų | 160 | 87 Ų | 87 | 75% | 0.748 | 47% | 0.473 | S | S | * | . | | | trans | -73.4 | 53.7 | -176.7 | -159.5 | 174.9 | -147.1 | 0 | 0 | 113 | A277 H281 T282 | A277-E279 PolarHBondContact O-N 3.43Å; E279-H281 PolarHBondContact O-N 2.78Å; E279-T282 PolarHBondContact O-N 3.23Å; E279-T282 PolarHBondContact O-OG1 3.31Å |
| 280 | L | 49.5 | Very low | 65.5 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 27% | 0.267 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 13 | -177.7 | -79.4 | 164.4 | 0 | 0 | 0 | 113.9 | L275 L278 T282 N284 L287 | L275-L280 HydrophobicContact CD2-CD1 4.49Å; L278-L280 HydrophobicContact CB-CD1 3.86Å; L278-L280 HydrophobicContact CB-CG 4.09Å; L278-L280 HydrophobicContact CD2-CD1 4.09Å; L278-L280 PolarHBondContact O-N 2.68Å; L280-T282 CarbonylContact C-O 3.32Å; L280-N284 HydrophobicContact CD2-CB 3.81Å; L280-N284 WeakPolarHBondContact CD2-ND2 3.33Å; L280-L287 HydrophobicContact CD1-CD1 4.12Å; L280-L287 HydrophobicContact CD2-CD1 3.45Å; L280-L287 VanDerWaalsContact CD2-CD1 3.45Å; L280-L287 HydrophobicContact CG-CD1 4.45Å |
| 281 | H | 48.9 | Very low | 64.8 | Low | 172 Ų | 172 | 86.9 Ų | 86.9 | 80% | 0.796 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -15.5 | 162 | -60 | -41.4 | 0 | 0 | 0 | 112.3 | E279 | E279-H281 PolarHBondContact O-N 2.78Š|
| 282 | T | 50.2 | Low | 64 | Low | 90 Ų | 90 | 88.6 Ų | 88.6 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -81 | 127.5 | 152.7 | 48.3 | 0 | 0 | 0 | 0 | 109.7 | E279 L280 N284 | E279-T282 PolarHBondContact O-N 3.23Å; E279-T282 PolarHBondContact O-OG1 3.31Å; L280-T282 CarbonylContact C-O 3.32Å; T282-N284 VanDerWaalsContact C-N 3.34Å; T282-N284 PolarHBondContact O-N 2.79Å |
| 283 | P | 47.1 | Very low | 63.4 | Low | 124 Ų | 124 | 92.6 Ų | 92.6 | 81% | 0.805 | 49% | 0.491 | S | S | * | . | | | trans | -73.2 | 86.7 | -177.1 | 29.6 | -35 | 0 | 0 | 0 | 110.9 | S285 | P283-S285 PolarHBondContact O-N 2.74Š|
| 284 | N | 52 | Low | 63 | Low | 88 Ų | 88 | 90.1 Ų | 90.1 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | | | trans | -60.3 | 100.3 | 169.5 | -92.3 | -52.5 | 0 | 0 | 0 | 109.4 | L280 T282 E286 L287 | L280-N284 HydrophobicContact CD2-CB 3.81Å; L280-N284 WeakPolarHBondContact CD2-ND2 3.33Å; T282-N284 VanDerWaalsContact C-N 3.34Å; T282-N284 PolarHBondContact O-N 2.79Å; N284-E286 PolarHBondContact O-N 3.12Å; N284-E286 VanDerWaalsContact O-N 3.12Å; N284-L287 HydrophobicContact CB-CB 4.5Å; N284-L287 HydrophobicContact CB-CD1 4.15Å; N284-L287 PolarHBondContact O-N 3.1Å |
| 285 | S | 56.5 | Low | 62.8 | Low | 88 Ų | 88 | 93.4 Ų | 93.4 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | G | 310 helix | trans | -59.9 | -23.8 | -179.2 | 54.3 | 0 | 0 | 0 | 0 | 113 | P283 L287 D288 Y291 | P283-S285 PolarHBondContact O-N 2.74Å; S285-L287 PolarHBondContact O-N 3.43Å; S285-D288 PolarHBondContact O-N 2.79Å; S285-Y291 WeakPolarHBondContact O-CB 3.01Å |
| 286 | E | 57.8 | Low | 62.5 | Low | 130 Ų | 130 | 97.9 Ų | 97.9 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -65.3 | -18.5 | 172.2 | -58.7 | -151.1 | 135.1 | 0 | 0 | 114.1 | N284 Y291 L292 | N284-E286 PolarHBondContact O-N 3.12Å; N284-E286 VanDerWaalsContact O-N 3.12Å; E286-Y291 HydrophobicContact CB-CD1 4.48Å; E286-Y291 HydrophobicContact CB-CE1 4.1Å; E286-Y291 HydrophobicContact CG-CE1 4.2Å; E286-L292 WeakPolarHBondContact O-CD1 3.19Å |
| 287 | L | 53 | Low | 62.7 | Low | 65 Ų | 65 | 98.5 Ų | 98.5 | 34% | 0.34 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -100.6 | -1.6 | 178 | -75 | 164 | 0 | 0 | 0 | 113.9 | L280 N284 S285 S289 L292 | L280-L287 HydrophobicContact CD1-CD1 4.12Å; L280-L287 HydrophobicContact CD2-CD1 3.45Å; L280-L287 VanDerWaalsContact CD2-CD1 3.45Å; L280-L287 HydrophobicContact CG-CD1 4.45Å; N284-L287 HydrophobicContact CB-CB 4.5Å; N284-L287 HydrophobicContact CB-CD1 4.15Å; N284-L287 PolarHBondContact O-N 3.1Å; S285-L287 PolarHBondContact O-N 3.43Å; L287-S289 PolarHBondContact O-N 3.28Å; L287-L292 VanDerWaalsContact C-CD1 3.43Å; L287-L292 WeakPolarHBondContact O-CD1 3.48Å |
| 288 | D | 60.5 | Low | 62.9 | Low | 69 Ų | 69 | 99.4 Ų | 99.4 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | | | trans | -62.4 | 128.9 | 173.1 | 177.4 | 16.5 | 0 | 0 | 0 | 111.5 | S285 N290 Y291 L292 | S285-D288 PolarHBondContact O-N 2.79Å; D288-N290 PolarHBondContact O-N 2.86Å; D288-N290 VanDerWaalsContact O-N 3.09Å; D288-N290 PolarHBondContact OD1-N 3.47Å; D288-N290 PolarHBondContact OD1-ND2 2.7Å; D288-N290 VanDerWaalsContact OD2-CB 3.29Å; D288-N290 WeakPolarHBondContact OD2-CB 3.18Å; D288-N290 PolarHBondContact OD2-ND2 2.9Å; D288-Y291 PolarHBondContact O-N 3.11Å; D288-Y291 VanDerWaalsContact O-N 3.07Å; D288-L292 WeakPolarHBondContact O-CD1 3.21Å; D288-L292 PolarHBondContact O-N 3.26Å |
| 289 | S | 62.9 | Low | 63.8 | Low | 57 Ų | 57 | 100 Ų | 100 | 40% | 0.399 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.7 | -20.9 | 173.2 | -67.2 | 0 | 0 | 0 | 0 | 113.7 | L287 R293 | L287-S289 PolarHBondContact O-N 3.28Å; S289-R293 WeakPolarHBondContact O-CB 3.21Å; S289-R293 VanDerWaalsContact O-CG 3.24Å; S289-R293 WeakPolarHBondContact O-CG 3.15Å; S289-R293 PolarHBondContact O-N 2.86Å; S289-R293 PolarHBondContact O-NE 3.44Å |
| 290 | N | 70.1 | Confident | 65.3 | Low | 86 Ų | 86 | 97 Ų | 97 | 46% | 0.46 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -81.7 | -43.8 | 171.6 | -48 | -60.9 | 0 | 0 | 0 | 112.4 | D288 L292 R293 T294 | D288-N290 PolarHBondContact O-N 2.86Å; D288-N290 VanDerWaalsContact O-N 3.09Å; D288-N290 PolarHBondContact OD1-N 3.47Å; D288-N290 PolarHBondContact OD1-ND2 2.7Å; D288-N290 VanDerWaalsContact OD2-CB 3.29Å; D288-N290 WeakPolarHBondContact OD2-CB 3.18Å; D288-N290 PolarHBondContact OD2-ND2 2.9Å; N290-L292 PolarHBondContact O-N 3.24Å; N290-R293 PolarHBondContact OD1-NH2 3.29Å; N290-T294 WeakPolarHBondContact O-CB 3.12Å; N290-T294 PolarHBondContact O-N 3.29Å; N290-T294 PolarHBondContact O-OG1 3.33Å |
| 291 | Y | 69.7 | Low | 66.6 | Low | 113 Ų | 113 | 97.9 Ų | 97.9 | 44% | 0.443 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.3 | 179.1 | -109.2 | 0 | 0 | 0 | 111.3 | S285 E286 D288 T294 K295 | S285-Y291 WeakPolarHBondContact O-CB 3.01Å; E286-Y291 HydrophobicContact CB-CD1 4.48Å; E286-Y291 HydrophobicContact CB-CE1 4.1Å; E286-Y291 HydrophobicContact CG-CE1 4.2Å; D288-Y291 PolarHBondContact O-N 3.11Å; D288-Y291 VanDerWaalsContact O-N 3.07Å; Y291-T294 WeakPolarHBondContact O-CB 3.5Å; Y291-T294 PolarHBondContact O-N 3.06Å; Y291-K295 PolarHBondContact O-N 2.87Å |
| 292 | L | 69.7 | Low | 67.8 | Low | 39 Ų | 39 | 92.2 Ų | 92.2 | 20% | 0.204 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -68.7 | -41.2 | -178.7 | -74.8 | 130.9 | 0 | 0 | 0 | 113.5 | E286 L287 D288 N290 T294 K295 E296 | E286-L292 WeakPolarHBondContact O-CD1 3.19Å; L287-L292 VanDerWaalsContact C-CD1 3.43Å; L287-L292 WeakPolarHBondContact O-CD1 3.48Å; D288-L292 WeakPolarHBondContact O-CD1 3.21Å; D288-L292 PolarHBondContact O-N 3.26Å; N290-L292 PolarHBondContact O-N 3.24Å; L292-T294 PolarHBondContact O-N 2.85Å; L292-K295 PolarHBondContact O-N 3.5Å; L292-E296 WeakPolarHBondContact O-CB 3.35Å; L292-E296 PolarHBondContact O-N 3.48Å |
| 293 | R | 73.5 | Confident | 68.8 | Low | 152 Ų | 152 | 92.7 Ų | 92.7 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -33 | 171.3 | -75.8 | -177.6 | -65.8 | 177.7 | 1.2 | 112.1 | S289 N290 L297 | S289-R293 WeakPolarHBondContact O-CB 3.21Å; S289-R293 VanDerWaalsContact O-CG 3.24Å; S289-R293 WeakPolarHBondContact O-CG 3.15Å; S289-R293 PolarHBondContact O-N 2.86Å; S289-R293 PolarHBondContact O-NE 3.44Å; N290-R293 PolarHBondContact OD1-NH2 3.29Å; R293-L297 VanDerWaalsContact O-CB 3.23Å; R293-L297 WeakPolarHBondContact O-CB 3.46Å; R293-L297 PolarHBondContact O-N 3.29Å |
| 294 | T | 76.6 | Confident | 70.2 | Confident | 74 Ų | 74 | 93.5 Ų | 93.5 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 175.4 | -56 | 0 | 0 | 0 | 0 | 111.4 | N290 Y291 L292 L297 N298 | N290-T294 WeakPolarHBondContact O-CB 3.12Å; N290-T294 PolarHBondContact O-N 3.29Å; N290-T294 PolarHBondContact O-OG1 3.33Å; Y291-T294 WeakPolarHBondContact O-CB 3.5Å; Y291-T294 PolarHBondContact O-N 3.06Å; L292-T294 PolarHBondContact O-N 2.85Å; T294-L297 PolarHBondContact O-N 2.93Å; T294-N298 WeakPolarHBondContact O-CB 3.37Å; T294-N298 VanDerWaalsContact O-CG 3.22Å; T294-N298 PolarHBondContact O-N 2.96Å; T294-N298 PolarHBondContact O-ND2 3.1Å |
| 295 | K | 79.1 | Confident | 71.2 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 47% | 0.465 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.2 | -50 | 173.7 | -177.3 | -178.5 | 172.7 | -172.7 | 0 | 111.5 | Y291 L292 L297 N298 E299 | Y291-K295 PolarHBondContact O-N 2.87Å; L292-K295 PolarHBondContact O-N 3.5Å; K295-L297 PolarHBondContact O-N 3.45Å; K295-N298 WeakPolarHBondContact O-CB 3.32Å; K295-N298 PolarHBondContact O-N 3.32Å; K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 WeakPolarHBondContact CG-OE1 3.41Å; K295-E299 WeakPolarHBondContact O-CG 3.43Å; K295-E299 PolarHBondContact O-N 2.8Å |
| 296 | E | 75.2 | Confident | 72.2 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 176 | -173.7 | -172.4 | 174 | 0 | 0 | 111.8 | L292 N298 E299 L300 | L292-E296 WeakPolarHBondContact O-CB 3.35Å; L292-E296 PolarHBondContact O-N 3.48Å; E296-N298 VanDerWaalsContact C-N 3.3Å; E296-N298 PolarHBondContact O-N 2.83Å; E296-E299 PolarHBondContact O-N 2.79Å; E296-L300 HydrophobicContact CG-CD1 4.08Å; E296-L300 WeakPolarHBondContact O-CB 3.2Å; E296-L300 WeakPolarHBondContact O-CG 3.41Å; E296-L300 PolarHBondContact O-N 3.11Å |
| 297 | L | 82.1 | Confident | 72.6 | Confident | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.4 | -37.2 | 177.2 | -173.8 | 67.8 | 0 | 0 | 0 | 112.3 | R293 T294 K295 T301 | R293-L297 VanDerWaalsContact O-CB 3.23Å; R293-L297 WeakPolarHBondContact O-CB 3.46Å; R293-L297 PolarHBondContact O-N 3.29Å; T294-L297 PolarHBondContact O-N 2.93Å; K295-L297 PolarHBondContact O-N 3.45Å; L297-T301 VanDerWaalsContact O-CB 3.23Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 3.1Å; L297-T301 PolarHBondContact O-OG1 2.81Å |
| 298 | N | 79 | Confident | 73.1 | Confident | 99 Ų | 99 | 103.4 Ų | 103.4 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69 | -43.5 | 175.7 | -76.8 | -27.5 | 0 | 0 | 0 | 112.1 | T294 K295 E296 T301 E302 | T294-N298 WeakPolarHBondContact O-CB 3.37Å; T294-N298 VanDerWaalsContact O-CG 3.22Å; T294-N298 PolarHBondContact O-N 2.96Å; T294-N298 PolarHBondContact O-ND2 3.1Å; K295-N298 WeakPolarHBondContact O-CB 3.32Å; K295-N298 PolarHBondContact O-N 3.32Å; E296-N298 VanDerWaalsContact C-N 3.3Å; E296-N298 PolarHBondContact O-N 2.83Å; N298-T301 PolarHBondContact O-N 3.3Å; N298-E302 WeakPolarHBondContact O-CB 3.43Å; N298-E302 PolarHBondContact O-N 3.47Å |
| 299 | E | 80.5 | Confident | 72 | Confident | 110 Ų | 110 | 102.7 Ų | 102.7 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 177.8 | -71.7 | 178 | -158.2 | 0 | 0 | 111.7 | K295 E296 T301 E302 L303 | K295-E299 WeakPolarHBondContact CE-OE1 3.49Å; K295-E299 WeakPolarHBondContact CG-OE1 3.41Å; K295-E299 WeakPolarHBondContact O-CG 3.43Å; K295-E299 PolarHBondContact O-N 2.8Å; E296-E299 PolarHBondContact O-N 2.79Å; E299-T301 VanDerWaalsContact C-N 3.34Å; E299-T301 PolarHBondContact O-N 2.78Å; E299-E302 PolarHBondContact O-N 3.47Å; E299-L303 WeakPolarHBondContact O-CB 3.17Å; E299-L303 PolarHBondContact O-N 2.92Å |
| 300 | L | 76.7 | Confident | 71.3 | Confident | 97 Ų | 97 | 106.1 Ų | 106.1 | 51% | 0.508 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 170.3 | -73.7 | 170.2 | 0 | 0 | 0 | 112.2 | E296 L303 K304 | E296-L300 HydrophobicContact CG-CD1 4.08Å; E296-L300 WeakPolarHBondContact O-CB 3.2Å; E296-L300 WeakPolarHBondContact O-CG 3.41Å; E296-L300 PolarHBondContact O-N 3.11Å; L300-L303 PolarHBondContact O-N 3.37Å; L300-K304 VanDerWaalsContact O-CB 3.32Å; L300-K304 WeakPolarHBondContact O-CB 3.42Å; L300-K304 PolarHBondContact O-N 2.81Å |
| 301 | T | 77.6 | Confident | 69.8 | Low | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69 | -38.1 | 177.2 | -62.5 | 0 | 0 | 0 | 0 | 111.7 | L297 N298 E299 K304 R305 | L297-T301 VanDerWaalsContact O-CB 3.23Å; L297-T301 WeakPolarHBondContact O-CB 3.44Å; L297-T301 PolarHBondContact O-N 3.1Å; L297-T301 PolarHBondContact O-OG1 2.81Å; N298-T301 PolarHBondContact O-N 3.3Å; E299-T301 VanDerWaalsContact C-N 3.34Å; E299-T301 PolarHBondContact O-N 2.78Å; T301-K304 PolarHBondContact O-N 3.11Å; T301-R305 WeakPolarHBondContact O-CB 3.36Å; T301-R305 PolarHBondContact O-N 3.44Å |
| 302 | E | 73.7 | Confident | 68.4 | Low | 52 Ų | 52 | 111.8 Ų | 111.8 | 24% | 0.243 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 173 | -177.5 | 63.7 | -149.3 | 0 | 0 | 111.2 | N298 E299 K304 R305 R306 | N298-E302 WeakPolarHBondContact O-CB 3.43Å; N298-E302 PolarHBondContact O-N 3.47Å; E299-E302 PolarHBondContact O-N 3.47Å; E302-K304 PolarHBondContact O-N 3.33Å; E302-R305 VanDerWaalsContact CD-NH1 3.35Å; E302-R305 PolarHBondContact O-N 3.35Å; E302-R305 IonicContact OE1-NH1 2.74Å; E302-R305 PolarHBondContact OE1-NH1 2.76Å; E302-R305 IonicContact OE2-CZ 3.25Å; E302-R305 IonicContact OE2-NH1 3.35Å; E302-R305 PolarHBondContact OE2-NH1 2.88Å; E302-R305 IonicContact OE2-NH2 2.68Å; E302-R305 PolarHBondContact OE2-NH2 3.31Å; E302-R306 WeakPolarHBondContact O-CG 3.37Å; E302-R306 PolarHBondContact O-N 2.9Å; E302-R306 IonicContact OE1-CZ 3.25Å; E302-R306 IonicContact OE1-NE 2.72Å; E302-R306 PolarHBondContact OE1-NE 3.41Å; E302-R306 IonicContact OE1-NH2 3.13Å; E302-R306 PolarHBondContact OE1-NH2 2.73Å |
| 303 | L | 72.5 | Confident | 66.6 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.2 | -46.4 | 173.3 | -94.9 | 157.9 | 0 | 0 | 0 | 112.1 | E299 L300 R305 R306 Q307 | E299-L303 WeakPolarHBondContact O-CB 3.17Å; E299-L303 PolarHBondContact O-N 2.92Å; L300-L303 PolarHBondContact O-N 3.37Å; L303-R305 VanDerWaalsContact C-N 3.34Å; L303-R305 PolarHBondContact O-N 3.12Å; L303-R306 PolarHBondContact O-N 2.79Å; L303-Q307 PolarHBondContact O-N 3.13Å |
| 304 | K | 75.8 | Confident | 64.6 | Low | 140 Ų | 140 | 117.4 Ų | 117.4 | 61% | 0.609 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 178.1 | -165.9 | 170.7 | -175.2 | 172.4 | 0 | 112.3 | L300 T301 E302 Q307 L308 | L300-K304 VanDerWaalsContact O-CB 3.32Å; L300-K304 WeakPolarHBondContact O-CB 3.42Å; L300-K304 PolarHBondContact O-N 2.81Å; T301-K304 PolarHBondContact O-N 3.11Å; E302-K304 PolarHBondContact O-N 3.33Å; K304-Q307 PolarHBondContact O-N 2.82Å; K304-L308 HydrophobicContact CG-CD1 4.16Å; K304-L308 PolarHBondContact O-N 3.16Å; K304-L308 VanDerWaalsContact O-N 3.09Å |
| 305 | R | 72.2 | Confident | 62.6 | Low | 149 Ų | 149 | 121.3 Ų | 121.3 | 56% | 0.562 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.1 | -33.6 | 174.3 | -143.8 | -169.4 | -41 | 105 | 9 | 112.2 | T301 E302 L303 | T301-R305 WeakPolarHBondContact O-CB 3.36Å; T301-R305 PolarHBondContact O-N 3.44Å; E302-R305 VanDerWaalsContact CD-NH1 3.35Å; E302-R305 PolarHBondContact O-N 3.35Å; E302-R305 IonicContact OE1-NH1 2.74Å; E302-R305 PolarHBondContact OE1-NH1 2.76Å; E302-R305 IonicContact OE2-CZ 3.25Å; E302-R305 IonicContact OE2-NH1 3.35Å; E302-R305 PolarHBondContact OE2-NH1 2.88Å; E302-R305 IonicContact OE2-NH2 2.68Å; E302-R305 PolarHBondContact OE2-NH2 3.31Å; L303-R305 VanDerWaalsContact C-N 3.34Å; L303-R305 PolarHBondContact O-N 3.12Å |
| 306 | R | 77.7 | Confident | 60.6 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 58% | 0.581 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74.6 | -32.1 | 175.1 | -69 | 175 | -169.7 | -171.7 | 6.9 | 113 | E302 L303 | E302-R306 WeakPolarHBondContact O-CG 3.37Å; E302-R306 PolarHBondContact O-N 2.9Å; E302-R306 IonicContact OE1-CZ 3.25Å; E302-R306 IonicContact OE1-NE 2.72Å; E302-R306 PolarHBondContact OE1-NE 3.41Å; E302-R306 IonicContact OE1-NH2 3.13Å; E302-R306 PolarHBondContact OE1-NH2 2.73Å; L303-R306 PolarHBondContact O-N 2.79Å |
| 307 | Q | 65.9 | Low | 58.6 | Low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.2 | -37.3 | 173.7 | -75.2 | -173.3 | -5 | 0 | 0 | 113.2 | L303 K304 G309 | L303-Q307 PolarHBondContact O-N 3.13Å; K304-Q307 PolarHBondContact O-N 2.82Å; Q307-G309 PolarHBondContact O-N 3.45Å |
| 308 | L | 64 | Low | 56.3 | Low | 115 Ų | 115 | 124.4 Ų | 124.4 | 60% | 0.602 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -79.7 | 51.6 | 178.2 | -72.4 | 165.9 | 0 | 0 | 0 | 112.6 | K304 I310 | K304-L308 HydrophobicContact CG-CD1 4.16Å; K304-L308 PolarHBondContact O-N 3.16Å; K304-L308 VanDerWaalsContact O-N 3.09Å; L308-I310 PolarHBondContact O-N 3.43Å |
| 309 | G | 37.6 | Very low | 54.2 | Low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 64% | 0.644 | S | S | * | * | | | trans | -70.2 | 52.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q307 N311 | Q307-G309 PolarHBondContact O-N 3.45Å; G309-N311 PolarHBondContact O-N 2.94Å; G309-N311 PolarHBondContact O-ND2 3.33Å |
| 310 | I | 48.3 | Very low | 51.9 | Low | 129 Ų | 129 | 131.3 Ų | 131.3 | 66% | 0.662 | 66% | 0.661 | S | S | * | * | | | trans | -77 | 118.1 | 177.7 | -54.3 | -179.3 | 0 | 0 | 0 | 109.9 | L308 H312 | L308-I310 PolarHBondContact O-N 3.43Å; I310-H312 PolarHBondContact O-N 2.96Å |
| 311 | N | 37.7 | Very low | 49.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | | | trans | -81.5 | 100.3 | -177.6 | -84.1 | -100.1 | 0 | 0 | 0 | 111.9 | G309 | G309-N311 PolarHBondContact O-N 2.94Å; G309-N311 PolarHBondContact O-ND2 3.33Å |
| 312 | H | 40.3 | Very low | 47.5 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 80% | 0.801 | 69% | 0.693 | S | S | * | * | | | trans | -117.1 | 75.1 | 168.4 | -75.2 | -64.3 | 0 | 0 | 0 | 112.3 | I310 | I310-H312 PolarHBondContact O-N 2.96Š|
| 313 | K | 33 | Very low | 45.3 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 90% | 0.896 | 72% | 0.721 | S | S | * | * | | | trans | -87 | 95.8 | 161.8 | -80.2 | -174.9 | 174.3 | 179.7 | 0 | 109.9 | | |
| 314 | S | 31.3 | Very low | 43.2 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 73% | 0.734 | S | S | * | * | | | trans | -167.6 | 143.4 | 161.3 | -164.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 315 | L | 34 | Very low | 40.9 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | | | trans | 78.7 | 122.6 | 154.7 | -115.5 | 74.7 | 0 | 0 | 0 | 121.7 | | |
| 316 | V | 37.1 | Very low | 38.8 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 80% | 0.8 | 75% | 0.746 | S | S | * | * | | | trans | 79.1 | 108.2 | 154.9 | -161.7 | 0 | 0 | 0 | 0 | 119 | | |
| 317 | E | 34 | Very low | 36.6 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 60% | 0.598 | 75% | 0.752 | S | S | * | * | | | trans | -107.8 | 176.9 | 160.7 | -173.3 | 175 | -174.3 | 0 | 0 | 108.2 | Q1725 | E317-Q1725 PolarHBondContact OE2-NE2 3.36Š|
| 318 | N | 33.8 | Very low | 34.8 | Very low | 140 Ų | 140 | 139.1 Ų | 139.1 | 75% | 0.749 | 75% | 0.751 | S | S | * | * | | | trans | 97.6 | 140.4 | -173.4 | -54.4 | -18.6 | 0 | 0 | 0 | 113.6 | | |
| 319 | D | 33.8 | Very low | 33.2 | Very low | 156 Ų | 156 | 141 Ų | 141 | 83% | 0.834 | 76% | 0.756 | S | S | * | * | | | cis | -140.2 | 160.3 | 6.4 | -114 | -43.4 | 0 | 0 | 0 | 113.1 | | |
| 320 | K | 32.2 | Very low | 32.7 | Very low | 197 Ų | 197 | 145.2 Ų | 145.2 | 86% | 0.857 | 76% | 0.761 | S | S | * | * | | | trans | -105 | 115.2 | 178.2 | -78.5 | -173.6 | 175.1 | -175.2 | 0 | 112.8 | | |
| 321 | L | 32.5 | Very low | 31.7 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 76% | 0.762 | S | S | * | * | | | trans | -153.7 | 148.7 | 157.1 | -74.3 | -176.6 | 0 | 0 | 0 | 108.2 | | |
| 322 | S | 29.3 | Very low | 31.2 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | | | cis | -146.5 | 172 | -6.1 | -170.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 323 | L | 27.9 | Very low | 30.4 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -66.8 | 146.7 | 172.9 | -46.4 | 83.5 | 0 | 0 | 0 | 111 | | |
| 324 | N | 29.8 | Very low | 30.1 | Very low | 152 Ų | 152 | 141 Ų | 141 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | | -168.7 | 141.9 | 96.6 | -160.2 | 19.6 | 0 | 0 | 0 | 111.7 | | |
| 325 | S | 26.6 | Very low | 29.9 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 75% | 0.745 | S | S | * | * | | | trans | -90 | 139.5 | 165.8 | -62.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 326 | N | 27.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | | | trans | 173.1 | 153.4 | 130.3 | -88.5 | -15.3 | 0 | 0 | 0 | 112.9 | | |
| 327 | N | 31 | Very low | 29.1 | Very low | 134 Ų | 134 | 138.6 Ų | 138.6 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | | | trans | 62.4 | 99.5 | 155.4 | -63.5 | 0.5 | 0 | 0 | 0 | 119.5 | | |
| 328 | N | 29.7 | Very low | 29 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | | | | 63.5 | 105.5 | 116 | -65.8 | 2 | 0 | 0 | 0 | 120.1 | | |
| 329 | H | 29.1 | Very low | 29.1 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | | | | 92.1 | 127.1 | 115.2 | -89.4 | 19.3 | 0 | 0 | 0 | 120.2 | | |
| 330 | H | 27.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 65% | 0.653 | 71% | 0.71 | S | S | * | * | | | trans | 73 | 149.8 | 145.9 | -73.9 | 64.6 | 0 | 0 | 0 | 118.2 | | |
| 331 | H | 27.3 | Very low | 28.9 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 69% | 0.69 | 71% | 0.71 | S | S | * | * | | | trans | -0 | 127 | 171.2 | -45.2 | -64.6 | 0 | 0 | 0 | 116.8 | | |
| 332 | H | 27.3 | Very low | 28.8 | Very low | 176 Ų | 176 | 128 Ų | 128 | 82% | 0.815 | 70% | 0.7 | S | S | * | * | | | | -143.9 | 141.5 | 60.7 | -121.2 | -86.1 | 0 | 0 | 0 | 117.2 | | |
| 333 | N | 24.2 | Very low | 28.8 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 71% | 0.706 | S | S | * | * | | | trans | -66.5 | 174.1 | 154.7 | -165.9 | 3.8 | 0 | 0 | 0 | 109.7 | | |
| 334 | T | 26.6 | Very low | 28.8 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 63% | 0.632 | 71% | 0.706 | S | S | * | * | | | trans | 87 | 84.8 | 164.8 | -46.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 335 | V | 26.2 | Very low | 28.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | | | | 57 | 114.8 | 116 | 172.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 336 | N | 27.6 | Very low | 28.8 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | | -162.7 | 164.1 | 107.2 | -111.4 | -48.9 | 0 | 0 | 0 | 117.3 | | |
| 337 | H | 27.8 | Very low | 28.7 | Very low | 100 Ų | 100 | 125.7 Ų | 125.7 | 46% | 0.463 | 70% | 0.698 | S | S | . | * | | | trans | -51.7 | 154.7 | -178.8 | -40.4 | -68.6 | 0 | 0 | 0 | 115.7 | N1845 N1846 | H337-N1845 PolarHBondContact CE1-O 3.35Å; H337-N1845 VanDerWaalsContact CE1-O 3.24Å; H337-N1845 PolarHBondContact NE2-O 3.03Å; H337-N1846 PolarHBondContact CE1-N 2.9Å; H337-N1846 VanDerWaalsContact CE1-N 3.33Å; H337-N1846 PolarHBondContact ND1-O 3.26Å |
| 338 | L | 31.6 | Very low | 28.8 | Very low | 143 Ų | 143 | 125.7 Ų | 125.7 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | | | | -151.9 | 137.5 | 127.8 | -109.6 | 166.9 | 0 | 0 | 0 | 110.7 | | |
| 339 | N | 34.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | | | trans | 33.2 | 122.2 | 164 | -66.2 | -4.4 | 0 | 0 | 0 | 120 | | |
| 340 | V | 28.5 | Very low | 28.9 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 47% | 0.467 | 70% | 0.703 | S | S | . | * | | | cis | 58.4 | 85.4 | 43.5 | -165.6 | 0 | 0 | 0 | 0 | 112.8 | N1846 | V340-N1846 WeakPolarHBondContact CG2-ND2 3.22Š|
| 341 | N | 34.9 | Very low | 28.9 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | | | | -177.8 | 157.4 | 129 | -91.7 | -32.9 | 0 | 0 | 0 | 111.1 | | |
| 342 | G | 28.9 | Very low | 29.2 | Very low | 68 Ų | 68 | 119.1 Ų | 119.1 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -84.5 | -157 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 343 | P | 29.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 114 Ų | 114 | 83% | 0.831 | 71% | 0.707 | S | S | * | * | | | cis | -119.1 | 162.6 | 41.9 | 39.7 | -33.3 | 0 | 0 | 0 | 116.1 | | |
| 344 | K | 28.6 | Very low | 29.8 | Very low | 187 Ų | 187 | 117.1 Ų | 117.1 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | | | trans | -60.7 | 155.9 | 155.8 | -65.9 | 171.3 | 173.8 | 173.5 | 0 | 110.1 | | |
| 345 | S | 26.9 | Very low | 30.2 | Very low | 116 Ų | 116 | 115.1 Ų | 115.1 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | | | trans | 67.1 | 166.1 | 145.7 | 73.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 346 | A | 28.2 | Very low | 30.6 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 63% | 0.628 | 72% | 0.723 | S | S | * | * | | | cis | -141.7 | 161.5 | 7.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 347 | S | 26.5 | Very low | 30.9 | Very low | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 73% | 0.731 | S | S | * | * | | | trans | 43.3 | 122.9 | 131.6 | -61.9 | 0 | 0 | 0 | 0 | 119.9 | | |
| 348 | P | 34 | Very low | 31.3 | Very low | 134 Ų | 134 | 115.5 Ų | 115.5 | 87% | 0.87 | 74% | 0.742 | S | S | * | * | | | | -93.1 | 83 | 116 | 28.3 | -33.2 | 0 | 0 | 0 | 109.4 | F350 | P348-F350 VanDerWaalsContact C-N 3.34Å; P348-F350 PolarHBondContact O-N 3.41Å |
| 349 | A | 27.5 | Very low | 31.4 | Very low | 70 Ų | 70 | 117.7 Ų | 117.7 | 58% | 0.579 | 75% | 0.753 | S | S | * | * | | | trans | -100.3 | 60.9 | 172 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 350 | F | 32.1 | Very low | 31.4 | Very low | 186 Ų | 186 | 114.4 Ų | 114.4 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | | | trans | -127.2 | 121.6 | 169 | -74.4 | -81.3 | 0 | 0 | 0 | 106.3 | P348 | P348-F350 VanDerWaalsContact C-N 3.34Å; P348-F350 PolarHBondContact O-N 3.41Å |
| 351 | S | 29.2 | Very low | 31.4 | Very low | 113 Ų | 113 | 116.4 Ų | 116.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | | | cis | 67.2 | 115.2 | 42.1 | -160.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 352 | G | 32 | Very low | 31.2 | Very low | 72 Ų | 72 | 115.2 Ų | 115.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | | | trans | 77.4 | 116.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 353 | G | 32.3 | Very low | 31.3 | Very low | 68 Ų | 68 | 115.7 Ų | 115.7 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | | | cis | 110.5 | 135.9 | 0.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 354 | H | 32.1 | Very low | 31 | Very low | 203 Ų | 203 | 114.5 Ų | 114.5 | 94% | 0.94 | 77% | 0.77 | S | S | * | * | | | trans | 69.7 | 141.4 | -179.2 | -52.2 | -10 | 0 | 0 | 0 | 115 | | |
| 355 | G | 35.8 | Very low | 31 | Very low | 61 Ų | 61 | 110.1 Ų | 110.1 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | | | trans | 113.5 | 49.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 356 | I | 33.1 | Very low | 31 | Very low | 155 Ų | 155 | 111.4 Ų | 111.4 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | | | | 63.4 | 132.3 | 90.8 | 82.4 | -160.3 | 0 | 0 | 0 | 114.9 | | |
| 357 | S | 34.9 | Very low | 31.1 | Very low | 125 Ų | 125 | 112.9 Ų | 112.9 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | | | trans | 61.1 | 106 | 169.2 | -55.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 358 | G | 36.4 | Very low | 31.3 | Very low | 67 Ų | 67 | 112.3 Ų | 112.3 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | cis | 134.8 | 166 | -6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 359 | I | 34.2 | Very low | 31.3 | Very low | 189 Ų | 189 | 110.7 Ų | 110.7 | 97% | 0.969 | 78% | 0.778 | S | S | * | * | | | trans | 61.1 | 124.8 | 158.5 | -46.4 | 160.4 | 0 | 0 | 0 | 116.1 | | |
| 360 | G | 33.2 | Very low | 31.6 | Very low | 59 Ų | 59 | 112.7 Ų | 112.7 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | cis | -168.9 | 158.1 | -5.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 361 | S | 28.8 | Very low | 31.5 | Very low | 119 Ų | 119 | 110.8 Ų | 110.8 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | cis | 67.9 | 137.8 | 32.8 | -53.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 362 | S | 30.3 | Very low | 31.7 | Very low | 134 Ų | 134 | 111.3 Ų | 111.3 | 94% | 0.937 | 78% | 0.782 | S | S | * | * | | | trans | 59.7 | 178 | 171 | 70.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 363 | G | 30.6 | Very low | 31.7 | Very low | 77 Ų | 77 | 113.7 Ų | 113.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 140.8 | -15 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 364 | S | 24.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 114.5 Ų | 114.5 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -59.2 | 137.4 | 172.6 | -176.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 365 | S | 27.9 | Very low | 31.4 | Very low | 95 Ų | 95 | 109.6 Ų | 109.6 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | | | trans | 50.6 | 103.9 | 147.2 | -51.1 | 0 | 0 | 0 | 0 | 119.5 | | |
| 366 | T | 26.6 | Very low | 31.1 | Very low | 142 Ų | 142 | 110 Ų | 110 | 87% | 0.871 | 77% | 0.765 | S | S | * | * | | | trans | -120.5 | 103.7 | 133.3 | 46.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 367 | S | 30.1 | Very low | 31 | Very low | 108 Ų | 108 | 113.5 Ų | 113.5 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | cis | 67.6 | 124.9 | 47.6 | 98.7 | 0 | 0 | 0 | 0 | 112 | | |
| 368 | G | 31.1 | Very low | 31 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | | | trans | -161.3 | 41.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 369 | A | 34.5 | Very low | 31 | Very low | 99 Ų | 99 | 112 Ų | 112 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -73.5 | 148.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 370 | P | 33.2 | Very low | 30.8 | Very low | 113 Ų | 113 | 105.8 Ų | 105.8 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | | -145.9 | 170.4 | 115.3 | 35.6 | -20.5 | 0 | 0 | 0 | 113.2 | | |
| 371 | L | 29.4 | Very low | 30.6 | Very low | 145 Ų | 145 | 106.3 Ų | 106.3 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | | | cis | -173 | 127.3 | -26.1 | -102.6 | 170.3 | 0 | 0 | 0 | 106.3 | | |
| 372 | T | 34.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 104 Ų | 104 | 77% | 0.767 | 70% | 0.696 | S | S | * | * | | | trans | 61.9 | 169.9 | 152.4 | 55.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 373 | P | 32.1 | Very low | 31.1 | Very low | 122 Ų | 122 | 102 Ų | 102 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | | | cis | -125.8 | 166.5 | 3.7 | 41.8 | -26.9 | 0 | 0 | 0 | 117 | | |
| 374 | S | 28.1 | Very low | 31.1 | Very low | 84 Ų | 84 | 101.5 Ų | 101.5 | 59% | 0.587 | 66% | 0.662 | S | S | * | * | | | trans | -80.8 | 158.4 | 167.5 | -4.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 375 | S | 28.6 | Very low | 31.3 | Very low | 100 Ų | 100 | 100.1 Ų | 100.1 | 70% | 0.699 | 66% | 0.657 | S | S | * | * | | | | 171.9 | 151.1 | 127.1 | -83.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 376 | A | 29.5 | Very low | 31.3 | Very low | 70 Ų | 70 | 98.4 Ų | 98.4 | 58% | 0.579 | 65% | 0.645 | S | S | * | * | | | trans | 69.2 | 152.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 377 | R | 31 | Very low | 31.3 | Very low | 228 Ų | 228 | 94.7 Ų | 94.7 | 86% | 0.86 | 63% | 0.625 | S | S | * | * | | | cis | -157.2 | 150.2 | -14.2 | -117.2 | 173.5 | -179.1 | -177.5 | 0.6 | 110.9 | | |
| 378 | T | 36.8 | Very low | 31.1 | Very low | 55 Ų | 55 | 93.1 Ų | 93.1 | 34% | 0.337 | 61% | 0.607 | S | S | . | * | | | trans | -79.9 | 161.4 | 168.9 | 31.2 | 0 | 0 | 0 | 0 | 112.6 | P1776 F1778 | T378-P1776 HydrophobicContact CG2-CB 3.67Å; T378-P1776 HydrophobicContact CG2-CG 3.99Å; T378-F1778 VanDerWaalsContact CB-CE2 3.4Å; T378-F1778 HydrophobicContact CG2-CD2 4.1Å; T378-F1778 HydrophobicContact CG2-CE2 3.44Å; T378-F1778 VanDerWaalsContact CG2-CE2 3.44Å; T378-F1778 HydrophobicContact CG2-CZ 4.16Å |
| 379 | P | 35.4 | Very low | 31 | Very low | 105 Ų | 105 | 94 Ų | 94 | 68% | 0.682 | 59% | 0.591 | S | S | * | * | | | | -160.1 | 150.7 | 84.3 | 41.9 | -18.6 | 0 | 0 | 0 | 125.3 | F1778 | P379-F1778 HydrophobicContact CB-CE2 4.49Å; P379-F1778 HydrophobicContact CB-CZ 3.78Å |
| 380 | T | 30.4 | Very low | 30.7 | Very low | 60 Ų | 60 | 93.8 Ų | 93.8 | 37% | 0.368 | 57% | 0.572 | S | S | . | * | | | trans | 24.9 | 143.9 | 144.6 | 9.9 | 0 | 0 | 0 | 0 | 122.6 | F1778 | T380-F1778 HydrophobicContact CG2-CD1 3.37Å; T380-F1778 HydrophobicContact CG2-CD2 4.48Å; T380-F1778 HydrophobicContact CG2-CE1 3.37Å; T380-F1778 HydrophobicContact CG2-CE2 4.41Å; T380-F1778 HydrophobicContact CG2-CG 4.04Å; T380-F1778 HydrophobicContact CG2-CZ 3.96Å; T380-F1778 WeakPolarHBondContact OG1-CE1 3.19Å; T380-F1778 WeakPolarHBondContact OG1-CZ 3.27Å |
| 381 | S | 28.3 | Very low | 30.5 | Very low | 69 Ų | 69 | 94.9 Ų | 94.9 | 48% | 0.483 | 57% | 0.568 | S | S | . | * | | | | 179.9 | 145.4 | 64.5 | 30.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 382 | A | 35.5 | Very low | 30.5 | Very low | 72 Ų | 72 | 94.3 Ų | 94.3 | 60% | 0.595 | 57% | 0.565 | S | S | * | * | | | trans | -95.6 | -169.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1232 | A382-T1232 PolarHBondContact O-OG1 3.06Š|
| 383 | P | 33.7 | Very low | 30.2 | Very low | 91 Ų | 91 | 92.7 Ų | 92.7 | 59% | 0.591 | 56% | 0.558 | S | S | * | * | | | cis | -125.7 | -103.5 | 48.6 | 23.5 | 3 | 0 | 0 | 0 | 118.8 | T1232 | P383-T1232 WeakPolarHBondContact CD-OG1 3.41Å; P383-T1232 VanDerWaalsContact N-CG2 3.3Å; P383-T1232 WeakPolarHBondContact O-CG2 3.27Å |
| 384 | P | 32.4 | Very low | 30.2 | Very low | 66 Ų | 66 | 94.4 Ų | 94.4 | 43% | 0.429 | 56% | 0.56 | S | S | . | * | | | | -130.9 | 125.5 | -121.9 | 38.6 | -20.3 | 0 | 0 | 0 | 119.3 | H1235 | P384-H1235 PolarHBondContact O-CE1 3.11Å; P384-H1235 PolarHBondContact O-ND1 3.46Å |
| 385 | A | 28.1 | Very low | 30.4 | Very low | 76 Ų | 76 | 95.7 Ų | 95.7 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | | | trans | 42.3 | -158.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | G1234 H1235 | A385-G1234 CarbonylContact O-C 3.52Å; A385-H1235 PolarHBondContact O-N 2.82Å; A385-H1235 PolarHBondContact O-ND1 3.41Å |
| 386 | S | 28.9 | Very low | 31.3 | Very low | 58 Ų | 58 | 96.5 Ų | 96.5 | 41% | 0.406 | 57% | 0.57 | S | S | . | * | | | cis | -165.8 | 143.3 | -16.7 | 25.4 | 0 | 0 | 0 | 0 | 110.6 | H1235 | S386-H1235 PolarHBondContact OG-CE1 2.94Š|
| 387 | S | 26.2 | Very low | 31.7 | Very low | 64 Ų | 64 | 99.4 Ų | 99.4 | 45% | 0.448 | 58% | 0.583 | S | S | . | * | | | trans | 65.9 | 160.8 | 164.3 | 74.7 | 0 | 0 | 0 | 0 | 116.6 | P1236 R1237 | S387-P1236 CarbonylContact O-C 3.49Å; S387-R1237 WeakPolarHBondContact OG-CG 3.49Å; S387-R1237 PolarHBondContact OG-N 3.44Å |
| 388 | I | 26.3 | Very low | 31.6 | Very low | 75 Ų | 75 | 93.8 Ų | 93.8 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | | | cis | -165.2 | -172.6 | 18.4 | -159.4 | 145.2 | 0 | 0 | 0 | 112.9 | R1237 P1238 | I388-R1237 HydrophobicContact CD1-CB 4.31Å; I388-R1237 HydrophobicContact CD1-CG 3.89Å; I388-R1237 VanDerWaalsContact CG2-C 3.41Å; I388-R1237 VanDerWaalsContact CG2-CA 3.5Å; I388-P1238 VanDerWaalsContact CD1-C 3.45Å; I388-P1238 VanDerWaalsContact CG2-N 3.28Å; I388-P1238 WeakPolarHBondContact CG2-O 3.38Å |
| 389 | Q | 27.1 | Very low | 31.4 | Very low | 98 Ų | 98 | 95 Ų | 95 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | | | trans | 43.6 | 157.1 | 156.5 | -86.6 | -163.8 | 148 | 0 | 0 | 122.6 | P1238 M1239 | Q389-P1238 WeakPolarHBondContact CG-O 3.48Å; Q389-P1238 PolarHBondContact NE2-O 3.42Å; Q389-P1238 PolarHBondContact OE1-O 2.91Å; Q389-M1239 WeakPolarHBondContact CG-O 3.19Å; Q389-M1239 PolarHBondContact OE1-O 3.36Å |
| 390 | Q | 28.7 | Very low | 31.2 | Very low | 93 Ų | 93 | 97.2 Ų | 97.2 | 44% | 0.435 | 60% | 0.595 | S | S | . | * | | | cis | -178.3 | 158.9 | -33.3 | -118.7 | -172.5 | -10.1 | 0 | 0 | 108.2 | H1240 | Q390-H1240 PolarHBondContact NE2-O 3.26Å; Q390-H1240 PolarHBondContact OE1-O 2.86Å |
| 391 | Q | 29.2 | Very low | 31.1 | Very low | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 61% | 0.61 | S | S | * | * | | | trans | 63 | 170.3 | 155 | -72.8 | 176.6 | -10.2 | 0 | 0 | 115.7 | | |
| 392 | L | 29.6 | Very low | 31.3 | Very low | 132 Ų | 132 | 102.8 Ų | 102.8 | 69% | 0.691 | 62% | 0.623 | S | S | * | * | | | cis | -130.1 | 119.7 | -4.1 | -114.3 | 122.1 | 0 | 0 | 0 | 109.5 | | |
| 393 | S | 28.7 | Very low | 31 | Very low | 91 Ų | 91 | 106.2 Ų | 106.2 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | | | | 52.9 | 166.6 | 117 | -45.2 | 0 | 0 | 0 | 0 | 124.1 | | |
| 394 | L | 31.7 | Very low | 30.8 | Very low | 158 Ų | 158 | 106.4 Ų | 106.4 | 83% | 0.827 | 63% | 0.626 | S | S | * | * | | | trans | 93.1 | 152.8 | 159.9 | -52.6 | 172.5 | 0 | 0 | 0 | 116.9 | | |
| 395 | P | 32.8 | Very low | 30.8 | Very low | 112 Ų | 112 | 109.6 Ų | 109.6 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | | | | -136.1 | 172.7 | -64.9 | 36.5 | -18.9 | 0 | 0 | 0 | 114.4 | | |
| 396 | P | 46.8 | Very low | 30.8 | Very low | 117 Ų | 117 | 113 Ų | 113 | 76% | 0.76 | 64% | 0.642 | S | S | * | * | | | trans | -106.5 | 179.4 | -176.2 | 41.6 | -36 | 0 | 0 | 0 | 114.8 | | |
| 397 | P | 37.5 | Very low | 30.8 | Very low | 131 Ų | 131 | 116.5 Ų | 116.5 | 85% | 0.851 | 66% | 0.661 | S | S | * | * | | | trans | -122 | 172.9 | 153.4 | 36.3 | -23.5 | 0 | 0 | 0 | 114.7 | | |
| 398 | S | 29.5 | Very low | 30.7 | Very low | 109 Ų | 109 | 118 Ų | 118 | 76% | 0.762 | 67% | 0.672 | S | S | * | * | | | trans | -101.1 | -164.6 | -168.5 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 399 | S | 32.5 | Very low | 30.7 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 57% | 0.573 | 69% | 0.688 | S | S | * | * | | | cis | -164.7 | 164.1 | 18.2 | -21.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 400 | D | 30.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 80% | 0.802 | 70% | 0.704 | S | S | * | * | | | trans | 61.1 | 157.5 | 140.3 | -51.5 | -20.9 | 0 | 0 | 0 | 121.3 | | |
| 401 | C | 29.9 | Very low | 30.5 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 68% | 0.676 | 71% | 0.711 | S | S | * | * | | | cis | -151.4 | 149.7 | -6.1 | -114 | 0 | 0 | 0 | 0 | 107.7 | | |
| 402 | L | 30.6 | Very low | 30.4 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | | 62.6 | 146.7 | 71.7 | -59.6 | 178.9 | 0 | 0 | 0 | 114.4 | | |
| 403 | E | 30.3 | Very low | 30.3 | Very low | 143 Ų | 143 | 124.9 Ų | 124.9 | 67% | 0.668 | 71% | 0.713 | S | S | * | * | | | cis | -163.9 | 155.2 | 14.4 | -139.1 | -169.5 | 119.2 | 0 | 0 | 116.2 | | |
| 404 | T | 28.8 | Very low | 30.3 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 58% | 0.583 | 71% | 0.71 | S | S | * | * | | | trans | 46.9 | 174.5 | 143.4 | 47.4 | 0 | 0 | 0 | 0 | 122.6 | | |
| 405 | L | 32.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 70% | 0.696 | 69% | 0.69 | S | S | * | * | | | cis | -135.9 | 132.4 | 15.6 | -72.1 | 162.4 | 0 | 0 | 0 | 112.4 | | |
| 406 | Q | 28.1 | Very low | 30 | Very low | 147 Ų | 147 | 115 Ų | 115 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | | | | 56 | 125.5 | 102 | -51.9 | 178.5 | 10.3 | 0 | 0 | 116.3 | | |
| 407 | T | 28.9 | Very low | 29.1 | Very low | 132 Ų | 132 | 115.3 Ų | 115.3 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | | | | 174.5 | 173.4 | 77.8 | 38.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 408 | S | 24.8 | Very low | 28.7 | Very low | 97 Ų | 97 | 115.6 Ų | 115.6 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | | | cis | -173.2 | 152.8 | -42.1 | -160 | 0 | 0 | 0 | 0 | 111.1 | | |
| 409 | M | 26.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 117.8 Ų | 117.8 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | | | trans | 70 | 128.5 | 154.2 | -60.4 | -135.4 | -140.2 | 0 | 0 | 123.9 | | |
| 410 | K | 26.1 | Very low | 28.6 | Very low | 182 Ų | 182 | 120 Ų | 120 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | | | | 70.2 | 158 | 129.7 | -69.8 | -175.2 | 176.7 | -179.8 | 0 | 120.6 | | |
| 411 | T | 26.8 | Very low | 28.5 | Very low | 97 Ų | 97 | 121.3 Ų | 121.3 | 60% | 0.595 | 67% | 0.668 | S | S | * | * | | | cis | -175.3 | 160.3 | -20.2 | -93.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 412 | E | 27.2 | Very low | 28.5 | Very low | 173 Ų | 173 | 123.8 Ų | 123.8 | 81% | 0.808 | 67% | 0.673 | S | S | * | * | | | trans | 70.5 | 160.9 | 161.9 | -84.7 | 148.8 | -148 | 0 | 0 | 119.8 | | |
| 413 | S | 27.5 | Very low | 28.5 | Very low | 81 Ų | 81 | 127 Ų | 127 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | | | cis | -177.4 | 168.1 | -35.7 | -100.3 | 0 | 0 | 0 | 0 | 113.6 | N1469 | S413-N1469 PolarHBondContact O-ND2 3.12Š|
| 414 | S | 27.6 | Very low | 28.4 | Very low | 82 Ų | 82 | 123.2 Ų | 123.2 | 57% | 0.573 | 66% | 0.662 | S | S | * | * | | | trans | 69.1 | 101.6 | 142.3 | 59.3 | 0 | 0 | 0 | 0 | 125 | N1469 | S414-N1469 VanDerWaalsContact C-OD1 3.27Å; S414-N1469 VanDerWaalsContact O-CG 3.3Å; S414-N1469 PolarHBondContact O-ND2 3.28Å |
| 415 | S | 29.2 | Very low | 28.4 | Very low | 57 Ų | 57 | 123.5 Ų | 123.5 | 40% | 0.399 | 66% | 0.659 | S | S | . | * | | | | 61.7 | 124.1 | 122 | 67 | 0 | 0 | 0 | 0 | 126.3 | N1469 C1470 | S415-N1469 CarbonylContact C-O 3.43Å; S415-N1469 VanDerWaalsContact CA-C 3.47Å; S415-N1469 VanDerWaalsContact N-CG 3.29Å; S415-N1469 PolarHBondContact N-OD1 3.19Å; S415-C1470 WeakPolarHBondContact CA-SG 3.41Å; S415-C1470 WeakPolarHBondContact CB-SG 3.48Å |
| 416 | G | 29.2 | Very low | 28.2 | Very low | 16 Ų | 16 | 120.2 Ų | 120.2 | 17% | 0.165 | 65% | 0.647 | C | S | . | * | | | | 106.6 | 152.5 | 114.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | G1468 N1469 | G416-G1468 VanDerWaalsContact N-CA 3.32Å; G416-G1468 WeakPolarHBondContact O-CA 3.06Å; G416-N1469 PolarHBondContact N-O 3.1Å |
| 417 | T | 28.9 | Very low | 28.2 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | | | cis | -174.8 | 165.8 | -8 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 418 | N | 27.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 115.3 Ų | 115.3 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | | | trans | 73 | 138.4 | 157.6 | -65 | -53.6 | 0 | 0 | 0 | 117.9 | | |
| 419 | L | 31.8 | Very low | 28.3 | Very low | 155 Ų | 155 | 115 Ų | 115 | 81% | 0.812 | 62% | 0.619 | S | S | * | * | | | cis | 104.7 | 149 | 30 | -100.6 | 171.3 | 0 | 0 | 0 | 113.4 | | |
| 420 | T | 27.7 | Very low | 28.8 | Very low | 128 Ų | 128 | 111.9 Ų | 111.9 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | | | trans | 100.2 | 135.4 | 168.8 | -51.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 421 | K | 29.9 | Very low | 28.9 | Very low | 178 Ų | 178 | 106 Ų | 106 | 77% | 0.774 | 59% | 0.591 | S | S | * | * | | | cis | -179 | 175 | -17.3 | -156.9 | -177.8 | -147.3 | 165.4 | 0 | 109.3 | | |
| 422 | I | 29.9 | Very low | 29.1 | Very low | 152 Ų | 152 | 106.6 Ų | 106.6 | 78% | 0.779 | 59% | 0.591 | S | S | * | * | | | trans | 81.1 | 150.7 | 157.8 | -59.6 | 160.6 | 0 | 0 | 0 | 117.8 | | |
| 423 | R | 29.7 | Very low | 29.3 | Very low | 214 Ų | 214 | 102.3 Ų | 102.3 | 81% | 0.808 | 58% | 0.576 | S | S | * | * | | | cis | 179.1 | 135.2 | -42.9 | -137 | -169.6 | -170.2 | -170.7 | 1.8 | 114.1 | | |
| 424 | T | 27.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 103.6 Ų | 103.6 | 40% | 0.399 | 58% | 0.577 | S | S | . | * | | | trans | 65.2 | 155.9 | 142 | 39.7 | 0 | 0 | 0 | 0 | 126.4 | S1499 | T424-S1499 WeakPolarHBondContact CG2-O 3.49Å; T424-S1499 WeakPolarHBondContact CG2-OG 3.47Å |
| 425 | L | 29.1 | Very low | 29.4 | Very low | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 57% | 0.573 | S | S | . | * | | | trans | 79.4 | 149.7 | 165.1 | -48.1 | -170.4 | 0 | 0 | 0 | 119 | I1500 P1501 I1502 | L425-I1500 WeakPolarHBondContact CA-O 3.25Å; L425-I1500 PolarHBondContact N-O 2.79Å; L425-P1501 VanDerWaalsContact N-CD 3.34Å; L425-I1502 WeakPolarHBondContact O-CD1 3.46Å |
| 426 | S | 28.8 | Very low | 29.3 | Very low | 64 Ų | 64 | 106 Ų | 106 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | | | cis | -161.8 | 127.8 | -21.2 | -96.1 | 0 | 0 | 0 | 0 | 116 | P1501 | S426-P1501 CarbonylContact C-O 3.4Å; S426-P1501 WeakPolarHBondContact CA-O 3.43Å; S426-P1501 PolarHBondContact N-O 2.91Å |
| 427 | G | 27.7 | Very low | 29.1 | Very low | 23 Ų | 23 | 113 Ų | 113 | 24% | 0.237 | 61% | 0.61 | C | S | . | * | | | trans | 69.7 | -170.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | P1501 I1502 N1503 | G427-P1501 PolarHBondContact N-O 3.14Å; G427-I1502 CarbonylContact O-C 3.26Å; G427-I1502 VanDerWaalsContact O-CA 3.22Å; G427-I1502 WeakPolarHBondContact O-CA 3.48Å; G427-I1502 VanDerWaalsContact O-O 3.05Å; G427-N1503 VanDerWaalsContact C-CG 3.43Å; G427-N1503 WeakPolarHBondContact O-CA 3.29Å; G427-N1503 WeakPolarHBondContact O-CB 3.47Å; G427-N1503 VanDerWaalsContact O-CG 3.24Å; G427-N1503 PolarHBondContact O-N 3.39Å |
| 428 | Q | 26.8 | Very low | 29.3 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | | | cis | -173.5 | 119.5 | -32.9 | -115.3 | 178.4 | -1.8 | 0 | 0 | 113.5 | N1503 | Q428-N1503 PolarHBondContact N-ND2 3.46Å; Q428-N1503 PolarHBondContact N-OD1 2.72Å; Q428-N1503 PolarHBondContact O-OD1 2.94Å |
| 429 | S | 28.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 112.7 Ų | 112.7 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | | | trans | 70.8 | 169.9 | 144.1 | -118.8 | 0 | 0 | 0 | 0 | 120 | K1505 | S429-K1505 WeakPolarHBondContact O-CE 3.48Š|
| 430 | P | 38 | Very low | 29.4 | Very low | 81 Ų | 81 | 110.1 Ų | 110.1 | 53% | 0.526 | 59% | 0.591 | S | S | . | * | | | | -139.9 | -127.9 | -106.6 | 43.4 | -20.5 | 0 | 0 | 0 | 114.8 | N1507 | P430-N1507 PolarHBondContact O-ND2 3.47Š|
| 431 | C | 28.1 | Very low | 29.2 | Very low | 57 Ų | 57 | 108.8 Ų | 108.8 | 39% | 0.385 | 59% | 0.586 | S | S | . | * | | | trans | 66.7 | 164.9 | -178.3 | -19.7 | 0 | 0 | 0 | 0 | 116.6 | N1507 | C431-N1507 VanDerWaalsContact CB-ND2 3.29Å; C431-N1507 WeakPolarHBondContact CB-ND2 3.31Å; C431-N1507 WeakPolarHBondContact O-CA 3.4Å; C431-N1507 WeakPolarHBondContact O-CB 3.29Å; C431-N1507 PolarHBondContact O-N 3.15Å; C431-N1507 VanDerWaalsContact O-N 3.11Å |
| 432 | D | 29.7 | Very low | 29.1 | Very low | 111 Ų | 111 | 104.9 Ų | 104.9 | 59% | 0.594 | 57% | 0.57 | S | S | * | * | | | cis | -172.7 | 157.8 | -46 | -86.5 | -34.4 | 0 | 0 | 0 | 108.4 | P1508 | D432-P1508 CarbonylContact O-C 3.59Å; D432-P1508 WeakPolarHBondContact O-CD 2.83Å |
| 433 | T | 31.7 | Very low | 28.9 | Very low | 83 Ų | 83 | 103.3 Ų | 103.3 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | | | trans | 58.8 | 156.9 | 155.6 | 40.2 | 0 | 0 | 0 | 0 | 120.9 | Q1509 | T433-Q1509 PolarHBondContact OG1-O 3.45Š|
| 434 | D | 28.4 | Very low | 28.7 | Very low | 107 Ų | 107 | 98.2 Ų | 98.2 | 57% | 0.572 | 57% | 0.565 | S | S | * | * | | | cis | -149 | 168.7 | -3 | -136.4 | -30.8 | 0 | 0 | 0 | 115.7 | | |
| 435 | S | 28.3 | Very low | 28.6 | Very low | 70 Ų | 70 | 99.4 Ų | 99.4 | 49% | 0.49 | 58% | 0.581 | S | S | . | * | | | trans | -26.5 | 174.3 | 172 | -61 | 0 | 0 | 0 | 0 | 125.4 | | |
| 436 | M | 27.8 | Very low | 28.5 | Very low | 121 Ų | 121 | 100.1 Ų | 100.1 | 60% | 0.596 | 60% | 0.595 | S | S | * | * | | | trans | 100.8 | 141.7 | 155.9 | -57.5 | -70.7 | -81.5 | 0 | 0 | 117.9 | | |
| 437 | H | 25.5 | Very low | 28.4 | Very low | 162 Ų | 162 | 103.8 Ų | 103.8 | 75% | 0.75 | 61% | 0.608 | S | S | * | * | | | cis | -164 | 167.8 | -34.5 | -154.7 | 76.5 | 0 | 0 | 0 | 109.2 | | |
| 438 | L | 33 | Very low | 28.3 | Very low | 147 Ų | 147 | 109.2 Ų | 109.2 | 77% | 0.77 | 63% | 0.628 | S | S | * | * | | | trans | -79 | -176.9 | 171.1 | -72.5 | 82.8 | 0 | 0 | 0 | 111.1 | | |
| 439 | P | 33.7 | Very low | 28.2 | Very low | 105 Ų | 105 | 110.3 Ų | 110.3 | 68% | 0.682 | 63% | 0.626 | S | S | * | * | | | cis | -144.8 | 179.3 | 8.3 | 44 | -23.8 | 0 | 0 | 0 | 118.7 | | |
| 440 | K | 26.5 | Very low | 28.1 | Very low | 102 Ų | 102 | 110.6 Ų | 110.6 | 44% | 0.443 | 62% | 0.624 | S | S | . | * | | | trans | 22.7 | 142.4 | 143.7 | -56.6 | 163.2 | 171 | -159.3 | 0 | 122.6 | S2254 P2256 I2257 | K440-S2254 CarbonylContact C-O 3.53Å; K440-S2254 VanDerWaalsContact CA-O 3.31Å; K440-S2254 WeakPolarHBondContact CA-O 3.37Å; K440-P2256 VanDerWaalsContact CD-O 3.31Å; K440-P2256 WeakPolarHBondContact CD-O 3.25Å; K440-P2256 WeakPolarHBondContact CE-O 3.17Å; K440-P2256 PolarHBondContact NZ-O 3.23Å; K440-I2257 VanDerWaalsContact NZ-CD1 3.33Å; K440-I2257 VanDerWaalsContact NZ-CG1 3.26Å |
| 441 | C | 25 | Very low | 27.4 | Very low | 100 Ų | 100 | 112 Ų | 112 | 68% | 0.676 | 63% | 0.627 | S | S | * | * | | | | -162.1 | 163.7 | 122.5 | -133.1 | 0 | 0 | 0 | 0 | 116.2 | S2254 L2255 | C441-S2254 CarbonylContact C-O 3.27Å; C441-S2254 PolarHBondContact N-O 3.01Å; C441-S2254 CarbonylContact O-C 3.28Å; C441-S2254 WeakPolarHBondContact O-CA 3.3Å; C441-S2254 PolarHBondContact O-N 3.08Å; C441-S2254 VanDerWaalsContact O-N 3.08Å; C441-L2255 CarbonylContact C-O 2.96Å; C441-L2255 WeakPolarHBondContact CA-O 3.46Å; C441-L2255 PolarHBondContact O-N 3.48Å |
| 442 | E | 26.4 | Very low | 27.3 | Very low | 95 Ų | 95 | 116.5 Ų | 116.5 | 44% | 0.444 | 65% | 0.646 | S | S | . | * | | | trans | -95.9 | 164 | -134.2 | -133.6 | -174.3 | 170.4 | 0 | 0 | 119.6 | L2255 P2256 I2257 S2258 | E442-L2255 VanDerWaalsContact CA-O 3.24Å; E442-L2255 WeakPolarHBondContact CA-O 3.19Å; E442-L2255 PolarHBondContact N-O 3.47Å; E442-P2256 VanDerWaalsContact CG-CA 3.47Å; E442-I2257 PolarHBondContact OE1-N 2.97Å; E442-S2258 PolarHBondContact OE1-N 2.96Å |
| 443 | V | 26.2 | Very low | 27 | Very low | 119 Ų | 119 | 113.1 Ų | 113.1 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | | | trans | 60.8 | 169.6 | 164.1 | -121.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 444 | S | 25.6 | Very low | 26.8 | Very low | 108 Ų | 108 | 114 Ų | 114 | 76% | 0.755 | 64% | 0.641 | S | S | * | * | | | cis | -139.8 | 178.4 | -8.1 | -42.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 445 | A | 26.1 | Very low | 26.4 | Very low | 89 Ų | 89 | 112.3 Ų | 112.3 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | | | cis | -150.4 | 171.4 | 5.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 446 | S | 26 | Very low | 26 | Very low | 116 Ų | 116 | 113.6 Ų | 113.6 | 81% | 0.811 | 65% | 0.647 | S | S | * | * | | | trans | -59.7 | 130.7 | 159.2 | -46.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 447 | L | 27.4 | Very low | 25.8 | Very low | 141 Ų | 141 | 112.4 Ų | 112.4 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | | | trans | -155.7 | 120.8 | 135.3 | -94 | 131.2 | 0 | 0 | 0 | 104 | | |
| 448 | E | 25.1 | Very low | 25.5 | Very low | 137 Ų | 137 | 109.9 Ų | 109.9 | 64% | 0.64 | 65% | 0.651 | S | S | * | * | | | | 57.5 | 105.9 | 57.8 | -150.9 | -170.9 | -145.4 | 0 | 0 | 107.2 | | |
| 449 | Y | 25.5 | Very low | 25.1 | Very low | 176 Ų | 176 | 106.2 Ų | 106.2 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | | | | -152.8 | 133.4 | 69 | -102.1 | -107.4 | 0 | 0 | 0 | 112.1 | | |
| 450 | T | 25.6 | Very low | 24.7 | Very low | 95 Ų | 95 | 105.6 Ų | 105.6 | 58% | 0.583 | 65% | 0.646 | S | S | * | * | | | | 38.3 | 135.5 | 111.3 | -34 | 0 | 0 | 0 | 0 | 119.6 | | |
| 451 | N | 24.3 | Very low | 24.6 | Very low | 110 Ų | 110 | 107.1 Ų | 107.1 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | | | trans | 72.1 | 144.1 | 178.3 | -53.4 | -38.7 | 0 | 0 | 0 | 112.3 | | |
| 452 | I | 26.3 | Very low | 24.5 | Very low | 152 Ų | 152 | 107.7 Ų | 107.7 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | | | cis | -115.4 | 108.3 | 37.9 | -57.2 | 178.1 | 0 | 0 | 0 | 112.9 | | |
| 453 | S | 23.2 | Very low | 24.7 | Very low | 40 Ų | 40 | 106.7 Ų | 106.7 | 28% | 0.28 | 67% | 0.668 | S | S | . | * | | | trans | 52.3 | 141.5 | 131.3 | -40.8 | 0 | 0 | 0 | 0 | 122.5 | S455 V2277 | S453-S455 WeakPolarHBondContact CB-OG 3.45Å; S453-S455 PolarHBondContact O-N 3.23Å; S453-V2277 WeakPolarHBondContact CA-O 3.28Å; S453-V2277 WeakPolarHBondContact OG-CB 3.2Å |
| 454 | S | 26 | Very low | 24.5 | Very low | 101 Ų | 101 | 106.8 Ų | 106.8 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -63.5 | 80.2 | 144.9 | 19 | 0 | 0 | 0 | 0 | 110.9 | V2277 | S454-V2277 PolarHBondContact N-O 2.97Å; S454-V2277 PolarHBondContact OG-O 3.49Å; S454-V2277 VanDerWaalsContact OG-O 3.08Å; S454-V2277 PolarHBondContact OG-OXT 2.59Å |
| 455 | S | 20.6 | Very low | 24.6 | Very low | 73 Ų | 73 | 106.7 Ų | 106.7 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | | | trans | -149.3 | 129.1 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | S453 | S453-S455 WeakPolarHBondContact CB-OG 3.45Å; S453-S455 PolarHBondContact O-N 3.23Å |
| 456 | S | 21 | Very low | 24.6 | Very low | 97 Ų | 97 | 110.7 Ų | 110.7 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | | | cis | -170.3 | -154.4 | -9.3 | 44.2 | 0 | 0 | 0 | 0 | 108 | | |
| 457 | S | 22 | Very low | 24.6 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 67% | 0.671 | 66% | 0.658 | S | S | * | * | | | trans | 5.8 | 129 | 140.7 | 60.9 | 0 | 0 | 0 | 0 | 117 | | |
| 458 | S | 20.8 | Very low | 24.6 | Very low | 109 Ų | 109 | 110.9 Ų | 110.9 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | | | cis | -141.9 | 154.3 | 37.6 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 459 | G | 24.7 | Very low | 24.7 | Very low | 70 Ų | 70 | 108.1 Ų | 108.1 | 72% | 0.722 | 65% | 0.652 | S | S | * | * | | | | 58.2 | 95.2 | 73.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 460 | S | 23.5 | Very low | 24.8 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | | | | -116.8 | 104.6 | 62.2 | -177.4 | 0 | 0 | 0 | 0 | 115.2 | V462 S463 | S460-V462 PolarHBondContact OG-O 3.28Å; S460-S463 PolarHBondContact OG-N 3.22Å |
| 461 | V | 24.6 | Very low | 25 | Very low | 135 Ų | 135 | 110.8 Ų | 110.8 | 82% | 0.818 | 66% | 0.663 | S | S | * | * | S | Bend | | -80.3 | 146.5 | 119.1 | -168.8 | 0 | 0 | 0 | 0 | 105.5 | | |
| 462 | V | 24.5 | Very low | 25.1 | Very low | 112 Ų | 112 | 110.3 Ų | 110.3 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 70.6 | 96.5 | -173.3 | -169.3 | 0 | 0 | 0 | 0 | 114 | S460 | S460-V462 PolarHBondContact OG-O 3.28Š|
| 463 | S | 30.4 | Very low | 25.4 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 52% | 0.517 | 66% | 0.664 | S | S | . | * | | | trans | 37.6 | 118.5 | 134.1 | -43.6 | 0 | 0 | 0 | 0 | 120.1 | S460 N465 | S460-S463 PolarHBondContact OG-N 3.22Å; S463-N465 VanDerWaalsContact CB-OD1 3.29Å; S463-N465 WeakPolarHBondContact CB-OD1 3.44Å; S463-N465 PolarHBondContact O-ND2 3.41Å |
| 464 | S | 21.9 | Very low | 25.8 | Very low | 121 Ų | 121 | 112.1 Ų | 112.1 | 85% | 0.846 | 68% | 0.677 | S | S | * | * | | | trans | -110.5 | 96.7 | 134.5 | -69 | 0 | 0 | 0 | 0 | 106.7 | | |
| 465 | N | 26.7 | Very low | 25.8 | Very low | 106 Ų | 106 | 113.3 Ų | 113.3 | 57% | 0.567 | 68% | 0.681 | S | S | * | * | | | | 55.1 | 74 | 67.5 | -52.7 | -23.9 | 0 | 0 | 0 | 111.6 | S463 | S463-N465 VanDerWaalsContact CB-OD1 3.29Å; S463-N465 WeakPolarHBondContact CB-OD1 3.44Å; S463-N465 PolarHBondContact O-ND2 3.41Å |
| 466 | H | 26.7 | Very low | 26.1 | Very low | 173 Ų | 173 | 117 Ų | 117 | 80% | 0.801 | 69% | 0.69 | S | S | * | * | | | | -103 | 130.5 | 103.1 | -93.2 | -92.4 | 0 | 0 | 0 | 106.1 | | |
| 467 | H | 26.6 | Very low | 26.2 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 60% | 0.602 | 70% | 0.696 | S | S | * | * | | | | 51.3 | 117.6 | 70.4 | -72.4 | -81.3 | 0 | 0 | 0 | 109.1 | | |
| 468 | D | 27.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 118.4 Ų | 118.4 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | | | cis | -164.9 | 159.3 | 24.6 | -106.2 | -27.5 | 0 | 0 | 0 | 109.8 | | |
| 469 | S | 25.9 | Very low | 26.8 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | | | cis | -157 | 168.8 | -1.5 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | M471 | S469-M471 PolarHBondContact O-N 2.88Š|
| 470 | F | 29.1 | Very low | 26.8 | Very low | 175 Ų | 175 | 116.6 Ų | 116.6 | 77% | 0.768 | 67% | 0.668 | S | S | * | * | | | | -28.2 | 101 | 123.3 | -76 | -107.4 | 0 | 0 | 0 | 112.4 | | |
| 471 | M | 29.1 | Very low | 27.1 | Very low | 151 Ų | 151 | 115.6 Ų | 115.6 | 74% | 0.744 | 66% | 0.661 | S | S | * | * | | | | -135.9 | 111.7 | 113.5 | -75.8 | -52 | 151.8 | 0 | 0 | 107.3 | S469 | S469-M471 PolarHBondContact O-N 2.88Š|
| 472 | N | 26.7 | Very low | 27.2 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 54% | 0.54 | 66% | 0.66 | S | S | . | * | | | | 66.1 | 83.2 | 64.9 | -174.6 | 27.6 | 0 | 0 | 0 | 111.7 | T474 | N472-T474 VanDerWaalsContact OD1-CB 3.23Å; N472-T474 WeakPolarHBondContact OD1-CB 3.41Å; N472-T474 PolarHBondContact OD1-N 3.22Å; N472-T474 VanDerWaalsContact OD1-N 3.09Å; N472-T474 PolarHBondContact OD1-OG1 2.76Å |
| 473 | T | 32.1 | Very low | 27.3 | Very low | 138 Ų | 138 | 113.8 Ų | 113.8 | 85% | 0.847 | 66% | 0.656 | S | S | * | * | | | trans | -121 | 67.9 | 139.3 | 11.8 | 0 | 0 | 0 | 0 | 108.4 | T475 | T473-T475 PolarHBondContact O-N 2.72Š|
| 474 | T | 30.7 | Very low | 27.2 | Very low | 91 Ų | 91 | 114 Ų | 114 | 56% | 0.558 | 65% | 0.651 | S | S | * | * | | | trans | -49 | 119.1 | 150.4 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | N472 H476 | N472-T474 VanDerWaalsContact OD1-CB 3.23Å; N472-T474 WeakPolarHBondContact OD1-CB 3.41Å; N472-T474 PolarHBondContact OD1-N 3.22Å; N472-T474 VanDerWaalsContact OD1-N 3.09Å; N472-T474 PolarHBondContact OD1-OG1 2.76Å; T474-H476 VanDerWaalsContact CG2-CD2 3.48Å; T474-H476 WeakPolarHBondContact CG2-CD2 3.28Å |
| 475 | T | 26.2 | Very low | 27.4 | Very low | 127 Ų | 127 | 111.7 Ų | 111.7 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | | | trans | -137.2 | 94 | 160.3 | -14.9 | 0 | 0 | 0 | 0 | 110.1 | T473 | T473-T475 PolarHBondContact O-N 2.72Š|
| 476 | H | 26.8 | Very low | 27.6 | Very low | 150 Ų | 150 | 115.6 Ų | 115.6 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | | | trans | -60.7 | 134.2 | 163.9 | -69.6 | -88.5 | 0 | 0 | 0 | 110.7 | T474 V478 | T474-H476 VanDerWaalsContact CG2-CD2 3.48Å; T474-H476 WeakPolarHBondContact CG2-CD2 3.28Å; H476-V478 HydrophobicContact CB-CG2 3.84Å |
| 477 | S | 24.2 | Very low | 27.4 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 81% | 0.811 | 63% | 0.63 | S | S | * | * | | | trans | -164.3 | 85.1 | 151.3 | -86.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 478 | V | 27.6 | Very low | 27.2 | Very low | 107 Ų | 107 | 113.8 Ų | 113.8 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | | | | 60.6 | 127.3 | 58 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | H476 | H476-V478 HydrophobicContact CB-CG2 3.84Š|
| 479 | T | 27.3 | Very low | 26.9 | Very low | 63 Ų | 63 | 112.1 Ų | 112.1 | 39% | 0.387 | 63% | 0.634 | S | S | . | * | | | trans | 42.1 | 112.9 | 174.5 | 49.6 | 0 | 0 | 0 | 0 | 116.6 | M987 M988 | T479-M987 WeakPolarHBondContact CB-O 3.41Å; T479-M987 WeakPolarHBondContact CG2-O 3.38Å; T479-M987 PolarHBondContact OG1-O 3.34Å; T479-M988 PolarHBondContact OG1-O 3.18Å |
| 480 | S | 26 | Very low | 27.1 | Very low | 77 Ų | 77 | 113.4 Ų | 113.4 | 54% | 0.538 | 64% | 0.643 | S | S | . | * | | | | -141.5 | 120.4 | 74.3 | -72.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 481 | S | 28.5 | Very low | 27.2 | Very low | 70 Ų | 70 | 110.5 Ų | 110.5 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | | | trans | -47.9 | 137 | 161 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 482 | S | 26.7 | Very low | 27.8 | Very low | 112 Ų | 112 | 110.8 Ų | 110.8 | 78% | 0.783 | 65% | 0.645 | S | S | * | * | | | trans | -145.2 | 104.2 | 140.9 | -78.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 483 | T | 27.4 | Very low | 28.1 | Very low | 97 Ų | 97 | 111.3 Ų | 111.3 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | | | trans | 6.4 | 135.1 | 131.5 | 50 | 0 | 0 | 0 | 0 | 116.6 | | |
| 484 | N | 27.1 | Very low | 27.9 | Very low | 79 Ų | 79 | 111.7 Ų | 111.7 | 42% | 0.422 | 66% | 0.656 | S | S | . | * | | | cis | -161 | 146.4 | 27.9 | -124.1 | 6.8 | 0 | 0 | 0 | 116.8 | M982 | N484-M982 PolarHBondContact ND2-N 2.68Å; N484-M982 VanDerWaalsContact ND2-N 3.13Å; N484-M982 PolarHBondContact ND2-O 3.28Å |
| 485 | Q | 27.4 | Very low | 27.8 | Very low | 72 Ų | 72 | 110.8 Ų | 110.8 | 34% | 0.336 | 66% | 0.664 | S | S | . | * | | | trans | 71.4 | 154.2 | 136.8 | -75.7 | 163.4 | -16.7 | 0 | 0 | 121.4 | P981 M982 | Q485-P981 PolarHBondContact NE2-O 3.05Å; Q485-M982 PolarHBondContact NE2-O 2.83Å |
| 486 | Y | 30.8 | Very low | 28 | Very low | 188 Ų | 188 | 113.3 Ų | 113.3 | 74% | 0.737 | 67% | 0.669 | S | S | * | * | | | trans | 49.4 | 76.3 | 166.1 | -42.6 | -51.5 | 0 | 0 | 0 | 117.1 | | |
| 487 | N | 22.5 | Very low | 28 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 69% | 0.69 | 67% | 0.673 | S | S | * | * | | | cis | 57.5 | 151.5 | 15.8 | -155.3 | 15 | 0 | 0 | 0 | 116.6 | | |
| 488 | L | 21.7 | Very low | 28.3 | Very low | 136 Ų | 136 | 110.6 Ų | 110.6 | 71% | 0.712 | 67% | 0.667 | S | S | * | * | | | trans | 56.9 | 102.1 | 170.5 | -64.9 | 160.1 | 0 | 0 | 0 | 115.2 | | |
| 489 | S | 21.5 | Very low | 28.5 | Very low | 96 Ų | 96 | 111.9 Ų | 111.9 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | | | | 70.4 | 143.4 | 71 | -62.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 490 | S | 30.7 | Very low | 28.6 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | | | trans | 44.9 | 124.8 | 139 | -54.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 491 | P | 31 | Very low | 28.5 | Very low | 114 Ų | 114 | 120 Ų | 120 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | | | | -133.3 | 176.9 | 66 | 32.4 | -11.4 | 0 | 0 | 0 | 111 | | |
| 492 | L | 40.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 119.9 Ų | 119.9 | 82% | 0.817 | 72% | 0.72 | S | S | * | * | | | | 46.2 | 152.4 | 53.7 | -63.9 | 169.6 | 0 | 0 | 0 | 112.3 | | |
| 493 | P | 32.4 | Very low | 28.2 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -121.8 | -148.6 | -23.7 | 40.4 | -22.8 | 0 | 0 | 0 | 109.9 | | |
| 494 | V | 29.6 | Very low | 28.2 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 89% | 0.891 | 73% | 0.733 | S | S | * | * | | | trans | -18.5 | 126.7 | 152.2 | -178.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 495 | G | 27.7 | Very low | 28.2 | Very low | 71 Ų | 71 | 127.3 Ų | 127.3 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | | | trans | 179 | 87 | 172.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 496 | M | 29.5 | Very low | 28.3 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | 19.7 | 111.2 | 148.3 | -72.9 | 178.5 | 161.6 | 0 | 0 | 122.7 | | |
| 497 | T | 27.5 | Very low | 28 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | | 39.6 | 117.3 | 123.9 | 58.1 | 0 | 0 | 0 | 0 | 123.3 | | |
| 498 | A | 30.9 | Very low | 28.4 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | | | | 82.2 | 137.7 | 117.2 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 499 | T | 32.3 | Very low | 28.5 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | 69.8 | 163.7 | 162.8 | 69.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 500 | K | 29.5 | Very low | 28.6 | Very low | 195 Ų | 195 | 123.5 Ų | 123.5 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | cis | -160 | 170 | 23.5 | -158.9 | 171.1 | -179.3 | 177.6 | 0 | 113.1 | | |
| 501 | S | 23.9 | Very low | 28.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 93.3 | 94.5 | 164.2 | -158.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 502 | G | 24.5 | Very low | 28 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | | | cis | 105.7 | 142.2 | -11.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 503 | Y | 24.3 | Very low | 27.2 | Very low | 224 Ų | 224 | 124.6 Ų | 124.6 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | | | trans | -136.9 | 131.6 | 158.6 | -91.6 | -81.2 | 0 | 0 | 0 | 109 | | |
| 504 | T | 26.7 | Very low | 26.8 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 44.1 | 131.7 | 158.3 | 55.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 505 | S | 26.9 | Very low | 26.6 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | cis | -162 | 147.6 | 14.5 | -125 | 0 | 0 | 0 | 0 | 113.1 | | |
| 506 | L | 29 | Very low | 26.5 | Very low | 146 Ų | 146 | 127 Ų | 127 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | 38.1 | 121 | 141.8 | -55.8 | 172.7 | 0 | 0 | 0 | 119.3 | | |
| 507 | T | 25.8 | Very low | 26.4 | Very low | 137 Ų | 137 | 124.7 Ų | 124.7 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | | | | 76 | 122.6 | 56.7 | -58.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 508 | G | 29.6 | Very low | 26.5 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | 113.2 | 139.7 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 509 | G | 25.1 | Very low | 26.4 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 75% | 0.748 | S | S | * | * | | | cis | 122 | 156.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 510 | S | 23.4 | Very low | 26.2 | Very low | 111 Ų | 111 | 126.8 Ų | 126.8 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | trans | 69.2 | 138.7 | -172.4 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 511 | I | 24.7 | Very low | 26.2 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 72% | 0.718 | 73% | 0.731 | S | S | * | * | | | cis | 82.8 | 123.6 | 38.3 | -59.7 | 160.8 | 0 | 0 | 0 | 112.3 | | |
| 512 | N | 23.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | trans | 72.3 | 128.7 | 165.5 | -67 | -14 | 0 | 0 | 0 | 120.7 | | |
| 513 | N | 24.3 | Very low | 26.5 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 72% | 0.721 | S | S | * | * | | | | 36.8 | 114.1 | 124.1 | -42.5 | -19.2 | 0 | 0 | 0 | 119 | | |
| 514 | N | 24.2 | Very low | 26.6 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | | | | 178 | 135.4 | 89.5 | -95.7 | -34 | 0 | 0 | 0 | 115.5 | | |
| 515 | I | 25.8 | Very low | 26.5 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | | | | 24.8 | 112.1 | 125.2 | -49 | 171.3 | 0 | 0 | 0 | 118.2 | | |
| 516 | S | 26 | Very low | 26.5 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | | | trans | 170.9 | 110.4 | 132 | -174.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 517 | N | 26.6 | Very low | 26.2 | Very low | 130 Ų | 130 | 122.5 Ų | 122.5 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | | | | 48.2 | 123.5 | 88 | -56.2 | -9.7 | 0 | 0 | 0 | 111.5 | | |
| 518 | T | 30.5 | Very low | 26.2 | Very low | 116 Ų | 116 | 121.5 Ų | 121.5 | 71% | 0.712 | 71% | 0.705 | S | S | * | * | | | cis | -148 | 137.4 | 40.6 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 519 | N | 27.3 | Very low | 26 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | | | | 69.5 | 143.6 | 112.8 | -63.8 | 34.3 | 0 | 0 | 0 | 116.6 | | |
| 520 | E | 28.7 | Very low | 26.1 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 72% | 0.715 | 70% | 0.699 | S | S | * | * | | | cis | -164.1 | 153.9 | -3.6 | -110.1 | 168.5 | 147 | 0 | 0 | 106.3 | | |
| 521 | T | 29.3 | Very low | 26.2 | Very low | 98 Ų | 98 | 128 Ų | 128 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | | | cis | -179.5 | 172.1 | -20 | 24.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 522 | I | 28.4 | Very low | 26.3 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 59% | 0.59 | 69% | 0.694 | S | S | * | * | | | trans | 69 | 129.4 | 140.6 | -75.4 | 160.1 | 0 | 0 | 0 | 116.9 | | |
| 523 | R | 26.7 | Very low | 26.5 | Very low | 188 Ų | 188 | 126.2 Ų | 126.2 | 71% | 0.709 | 69% | 0.69 | S | S | * | * | | | cis | -161.5 | 159.5 | -7.7 | -118.5 | 171.7 | -156.8 | 135.7 | 12 | 109.4 | | |
| 524 | N | 26.3 | Very low | 26.6 | Very low | 133 Ų | 133 | 124.1 Ų | 124.1 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | | | | 21 | 145.2 | 121.9 | -53.8 | 34.1 | 0 | 0 | 0 | 118.2 | | |
| 525 | S | 25.3 | Very low | 26.8 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | | | cis | -167.5 | 157.1 | 14.8 | 16 | 0 | 0 | 0 | 0 | 111.7 | | |
| 526 | D | 25.4 | Very low | 26.8 | Very low | 139 Ų | 139 | 121.3 Ų | 121.3 | 74% | 0.743 | 68% | 0.678 | S | S | * | * | | | | 29.6 | 120.9 | 129.3 | -33.6 | -40.9 | 0 | 0 | 0 | 118.3 | | |
| 527 | C | 24.5 | Very low | 26.8 | Very low | 113 Ų | 113 | 125.1 Ų | 125.1 | 76% | 0.764 | 68% | 0.684 | S | S | * | * | | | | -170.1 | 124.3 | 91.6 | -108.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 528 | V | 24.9 | Very low | 26.9 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 71% | 0.709 | 69% | 0.692 | S | S | * | * | | | | 63 | 107.1 | 121.2 | 175.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 529 | V | 26.3 | Very low | 26.6 | Very low | 119 Ų | 119 | 128.1 Ų | 128.1 | 72% | 0.721 | 70% | 0.696 | S | S | * | * | | | | 57.8 | 134.8 | 119.8 | 177.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 530 | D | 25.9 | Very low | 26.6 | Very low | 126 Ų | 126 | 127.5 Ų | 127.5 | 67% | 0.674 | 70% | 0.701 | S | S | * | * | | | cis | -150.3 | -172.9 | 39.7 | -141.8 | -20.7 | 0 | 0 | 0 | 116.3 | | |
| 531 | Q | 26.7 | Very low | 26.4 | Very low | 150 Ų | 150 | 125.9 Ų | 125.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | trans | -63.8 | -177.2 | -170.8 | -67.8 | 155.6 | 76.5 | 0 | 0 | 119.3 | | |
| 532 | T | 26.8 | Very low | 26.2 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 72% | 0.717 | S | S | * | * | | | trans | 99.8 | 108.2 | 140.6 | 28.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 533 | I | 27.3 | Very low | 26 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | | | | 49.5 | 126.7 | 111.2 | -69 | -177 | 0 | 0 | 0 | 116.7 | | |
| 534 | V | 26.8 | Very low | 25.9 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 50% | 0.503 | 73% | 0.727 | S | S | . | * | | | cis | -155.4 | 162.9 | 17.3 | 104.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 535 | P | 26.7 | Very low | 25.8 | Very low | 92 Ų | 92 | 121.9 Ų | 121.9 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | | | trans | -88.4 | 168.3 | 178.1 | 36.9 | -33.4 | 0 | 0 | 0 | 113.1 | | |
| 536 | V | 26 | Very low | 25.8 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | | | trans | -166 | 111.4 | 131.8 | 137.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 537 | Q | 27.1 | Very low | 25.7 | Very low | 180 Ų | 180 | 125.1 Ų | 125.1 | 84% | 0.841 | 74% | 0.743 | S | S | * | * | | | trans | 47.9 | 120.5 | 131.7 | -135.6 | 155.8 | -11.3 | 0 | 0 | 121.7 | | |
| 538 | N | 27.4 | Very low | 25.8 | Very low | 160 Ų | 160 | 127 Ų | 127 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | | | trans | -68.6 | 149.8 | 165.9 | -94.5 | -31.8 | 0 | 0 | 0 | 113 | | |
| 539 | N | 24.6 | Very low | 25.8 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | | | trans | -66.2 | 145.1 | 152.5 | -67.1 | -55 | 0 | 0 | 0 | 110.1 | | |
| 540 | S | 26.6 | Very low | 25.8 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | | 159.9 | 122.9 | 117.3 | -70.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 541 | S | 25.5 | Very low | 25.8 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | 57.3 | 109.7 | 134.6 | -51.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 542 | S | 24.1 | Very low | 25.9 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | | -156.3 | 145.8 | 122.8 | -161.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 543 | A | 24.4 | Very low | 26 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | 47 | 81.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 544 | V | 24.9 | Very low | 26.1 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 74% | 0.739 | 77% | 0.772 | S | S | * | * | | | trans | -129.2 | 142.9 | 139.6 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 545 | C | 24 | Very low | 26 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | trans | -68.3 | 149.4 | 178 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 546 | E | 25 | Very low | 26.1 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | -145 | 131.8 | 143.3 | -139.8 | 164.5 | -129.9 | 0 | 0 | 111.3 | | |
| 547 | S | 23.5 | Very low | 26.3 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -79.5 | 140.5 | 167.2 | -58.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 548 | I | 26.7 | Very low | 26.3 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -170.3 | 113.9 | 135.5 | -98.1 | 149.1 | 0 | 0 | 0 | 111.1 | | |
| 549 | T | 26.2 | Very low | 26.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | trans | -24.1 | 128.4 | 148.8 | -48.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 550 | L | 26 | Very low | 26.8 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -153.1 | 140.6 | 148.9 | -114.8 | 162 | 0 | 0 | 0 | 112.6 | | |
| 551 | F | 26.7 | Very low | 27.1 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 77% | 0.772 | 80% | 0.795 | S | S | * | * | | | trans | -80.6 | 152.1 | -176.2 | -84 | -121.8 | 0 | 0 | 0 | 112 | | |
| 552 | T | 27.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 92% | 0.92 | 79% | 0.792 | S | S | * | * | | | trans | -152.7 | 52.3 | 140.4 | -6.2 | 0 | 0 | 0 | 0 | 112.7 | T554 | T552-T554 PolarHBondContact O-N 3.37Å; T552-T554 VanDerWaalsContact O-N 3.12Å |
| 553 | G | 28.4 | Very low | 28.2 | Very low | 64 Ų | 64 | 132.5 Ų | 132.5 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | -70.1 | 101.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 554 | T | 29.5 | Very low | 28.7 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | 24.7 | 99.4 | 154.5 | 55.4 | 0 | 0 | 0 | 0 | 118.9 | T552 | T552-T554 PolarHBondContact O-N 3.37Å; T552-T554 VanDerWaalsContact O-N 3.12Å |
| 555 | N | 26.3 | Very low | 29 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | | 37 | 143.6 | 119.3 | -84.3 | -34.2 | 0 | 0 | 0 | 122.2 | | |
| 556 | T | 28.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | | | trans | 71.6 | 136.4 | 157.2 | 55 | 0 | 0 | 0 | 0 | 118.4 | | |
| 557 | M | 28.9 | Very low | 29.7 | Very low | 174 Ų | 174 | 130.2 Ų | 130.2 | 86% | 0.857 | 78% | 0.777 | S | S | * | * | | | cis | -146.8 | 159.7 | 0.4 | -109.6 | -123.5 | -71.3 | 0 | 0 | 113 | | |
| 558 | L | 27.6 | Very low | 30 | Very low | 154 Ų | 154 | 129 Ų | 129 | 81% | 0.806 | 77% | 0.765 | S | S | * | * | | | trans | -83.5 | 163.3 | -179.9 | -62.5 | 81 | 0 | 0 | 0 | 112.8 | | |
| 559 | T | 30.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 125 Ų | 125 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -171 | 149 | 131.7 | 16.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 560 | T | 32 | Very low | 30.6 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | | | cis | -145.2 | 157.3 | 8.2 | -28.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 561 | T | 33.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 121 Ų | 121 | 76% | 0.761 | 72% | 0.723 | S | S | * | * | | | trans | -85 | -153.9 | 173.9 | -11.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 562 | P | 39.7 | Very low | 31.1 | Very low | 118 Ų | 118 | 117 Ų | 117 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | | | cis | -104.3 | -165.5 | 9.3 | 45.4 | -35.3 | 0 | 0 | 0 | 112.4 | | |
| 563 | A | 33.3 | Very low | 31.2 | Very low | 92 Ų | 92 | 115.7 Ų | 115.7 | 76% | 0.76 | 71% | 0.709 | S | S | * | * | | | cis | -153.1 | -177.4 | 8.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 564 | A | 34 | Very low | 31.3 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | | | cis | -157 | 173.5 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 565 | M | 31.8 | Very low | 31.1 | Very low | 173 Ų | 173 | 116 Ų | 116 | 85% | 0.852 | 71% | 0.706 | S | S | * | * | | | trans | 45.6 | 132.1 | 147.8 | -65.5 | 165.8 | 60 | 0 | 0 | 120.6 | | |
| 566 | C | 30.9 | Very low | 31.2 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | | | cis | -165.7 | 156.6 | 5.9 | -119.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 567 | T | 31.9 | Very low | 31 | Very low | 129 Ų | 129 | 115.8 Ų | 115.8 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | | | trans | 62 | 146 | 152.8 | 52.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 568 | T | 30.6 | Very low | 30.9 | Very low | 81 Ų | 81 | 111.6 Ų | 111.6 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | | | cis | -160.3 | 116.9 | -6.1 | -92 | 0 | 0 | 0 | 0 | 112.3 | | |
| 569 | T | 32.7 | Very low | 30.7 | Very low | 66 Ų | 66 | 109.4 Ų | 109.4 | 41% | 0.405 | 69% | 0.694 | S | S | . | * | | | | 64.6 | 121.1 | 108.5 | -35 | 0 | 0 | 0 | 0 | 125.1 | C1135 V1136 | T569-C1135 PolarHBondContact O-SG 3.1Å; T569-C1135 VanDerWaalsContact O-SG 3.33Å; T569-V1136 VanDerWaalsContact C-N 3.28Å |
| 570 | T | 33.1 | Very low | 30.6 | Very low | 70 Ų | 70 | 109.4 Ų | 109.4 | 43% | 0.429 | 69% | 0.694 | S | S | . | * | | | trans | 95.2 | 95.7 | 138.7 | 47.6 | 0 | 0 | 0 | 0 | 127.9 | C1135 V1136 | T570-C1135 VanDerWaalsContact C-CB 3.47Å; T570-C1135 PolarHBondContact O-SG 3.42Å; T570-V1136 WeakPolarHBondContact CA-O 3.3Å; T570-V1136 VanDerWaalsContact N-N 3.11Å; T570-V1136 PolarHBondContact N-O 2.87Å |
| 571 | M | 31.7 | Very low | 30.3 | Very low | 129 Ų | 129 | 109.1 Ų | 109.1 | 64% | 0.635 | 69% | 0.692 | S | S | * | * | | | | 86.9 | 116.8 | 118.6 | -64.5 | -81.6 | 175.9 | 0 | 0 | 123.7 | V1136 | M571-V1136 PolarHBondContact N-O 3.18Š|
| 572 | S | 30.7 | Very low | 30 | Very low | 92 Ų | 92 | 109.8 Ų | 109.8 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | | 63.9 | 165.8 | 108.5 | -46 | 0 | 0 | 0 | 0 | 121.4 | | |
| 573 | T | 31 | Very low | 29.4 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 75% | 0.748 | 68% | 0.684 | S | S | * | * | | | cis | -159.4 | 161.8 | 13.9 | -23 | 0 | 0 | 0 | 0 | 111.8 | | |
| 574 | S | 29.3 | Very low | 29.2 | Very low | 107 Ų | 107 | 108.1 Ų | 108.1 | 75% | 0.748 | 66% | 0.663 | S | S | * | * | | | trans | 68 | 148.6 | 146.3 | -68.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 575 | S | 26.2 | Very low | 29 | Very low | 91 Ų | 91 | 107.6 Ų | 107.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | | | cis | 178.3 | 179 | -10.5 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 576 | I | 26.7 | Very low | 28.8 | Very low | 146 Ų | 146 | 102 Ų | 102 | 75% | 0.749 | 62% | 0.623 | S | S | * | * | | | trans | 83 | 99.6 | 156.1 | -61.9 | 161.7 | 0 | 0 | 0 | 118.6 | | |
| 577 | T | 25.2 | Very low | 28.7 | Very low | 130 Ų | 130 | 100.3 Ų | 100.3 | 80% | 0.798 | 61% | 0.612 | S | S | * | * | | | | 55.6 | 153.5 | 114.1 | -39.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 578 | A | 26.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 71% | 0.711 | 60% | 0.603 | S | S | * | * | | | trans | 87.9 | 126.1 | 176 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 579 | S | 23.8 | Very low | 28.2 | Very low | 108 Ų | 108 | 104.8 Ų | 104.8 | 76% | 0.755 | 62% | 0.615 | S | S | * | * | | | cis | 95.2 | 151 | 31.1 | -61.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 580 | T | 27.6 | Very low | 27.9 | Very low | 131 Ų | 131 | 106.7 Ų | 106.7 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | | | trans | 72.3 | 111 | -169.4 | -10.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 581 | T | 25.8 | Very low | 27.5 | Very low | 122 Ų | 122 | 106.9 Ų | 106.9 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | | | cis | 85.9 | 143.5 | 35.9 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 582 | N | 28.2 | Very low | 27.1 | Very low | 139 Ų | 139 | 104.5 Ų | 104.5 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | | | trans | 77 | 140.5 | 179.4 | -77.9 | -3 | 0 | 0 | 0 | 117.9 | | |
| 583 | N | 27.6 | Very low | 26.9 | Very low | 114 Ų | 114 | 103.4 Ų | 103.4 | 61% | 0.61 | 62% | 0.62 | S | S | * | * | | | cis | -164.2 | 167.2 | -28.3 | -138.3 | -2.5 | 0 | 0 | 0 | 112.4 | | |
| 584 | N | 27.9 | Very low | 26.6 | Very low | 61 Ų | 61 | 101.7 Ų | 101.7 | 33% | 0.326 | 61% | 0.614 | S | S | . | * | | | trans | 61.2 | 107 | 152.9 | -60.6 | -22.7 | 0 | 0 | 0 | 120.1 | N2100 N2101 | N584-N2100 HydrophobicContact CB-CB 4.02Å; N584-N2101 PolarHBondContact ND2-ND2 2.82Å; N584-N2101 VanDerWaalsContact ND2-ND2 3.14Å; N584-N2101 PolarHBondContact ND2-OD1 3.28Å |
| 585 | N | 29.7 | Very low | 26.4 | Very low | 66 Ų | 66 | 101.6 Ų | 101.6 | 35% | 0.353 | 61% | 0.613 | S | S | . | * | | | | 161.9 | 167 | 124.2 | -76.7 | -14.4 | 0 | 0 | 0 | 111 | N2098 V2099 N2100 | N585-N2098 WeakPolarHBondContact CB-OD1 3.39Å; N585-N2098 VanDerWaalsContact CG-C 3.48Å; N585-N2098 VanDerWaalsContact ND2-C 3.3Å; N585-N2098 PolarHBondContact ND2-ND2 3.33Å; N585-N2098 PolarHBondContact ND2-O 2.77Å; N585-N2098 PolarHBondContact ND2-OD1 3.11Å; N585-V2099 VanDerWaalsContact OD1-CA 3.23Å; N585-V2099 WeakPolarHBondContact OD1-CA 3.39Å; N585-N2100 VanDerWaalsContact CA-CG 3.4Å; N585-N2100 WeakPolarHBondContact CA-ND2 3.24Å; N585-N2100 PolarHBondContact N-ND2 2.84Å; N585-N2100 PolarHBondContact OD1-N 3.21Å |
| 586 | N | 28.4 | Very low | 26.4 | Very low | 56 Ų | 56 | 104.4 Ų | 104.4 | 30% | 0.299 | 62% | 0.619 | S | S | . | * | | | cis | -145.8 | 165 | -49.7 | -148.2 | 30.9 | 0 | 0 | 0 | 105.9 | P2097 N2098 V2099 N2100 | N586-P2097 PolarHBondContact ND2-O 2.69Å; N586-N2098 PolarHBondContact ND2-N 2.9Å; N586-V2099 PolarHBondContact ND2-N 2.78Å; N586-V2099 PolarHBondContact OD1-O 3.08Å; N586-V2099 VanDerWaalsContact OD1-O 3.09Å; N586-N2100 WeakPolarHBondContact CA-OD1 3.11Å; N586-N2100 VanDerWaalsContact OD1-CA 3.29Å; N586-N2100 WeakPolarHBondContact OD1-CA 2.95Å; N586-N2100 PolarHBondContact OD1-N 2.94Å; N586-N2100 PolarHBondContact OD1-OD1 2.93Å |
| 587 | S | 28.1 | Very low | 26.4 | Very low | 60 Ų | 60 | 104.7 Ų | 104.7 | 42% | 0.42 | 62% | 0.617 | S | S | . | * | | | cis | 65.8 | 139.3 | 29.5 | 136.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 588 | N | 27 | Very low | 26.4 | Very low | 113 Ų | 113 | 104.5 Ų | 104.5 | 60% | 0.604 | 61% | 0.611 | S | S | * | * | | | cis | -154.9 | 168.9 | -5.3 | -105.5 | -6.2 | 0 | 0 | 0 | 107.4 | | |
| 589 | Y | 26.1 | Very low | 26.7 | Very low | 191 Ų | 191 | 106.9 Ų | 106.9 | 75% | 0.749 | 61% | 0.611 | S | S | * | * | | | cis | -138 | 153.6 | 13.7 | -86.7 | -58.6 | 0 | 0 | 0 | 108.9 | | |
| 590 | T | 25.4 | Very low | 26.9 | Very low | 107 Ų | 107 | 106.5 Ų | 106.5 | 66% | 0.656 | 61% | 0.605 | S | S | * | * | | | | 38.5 | 137.7 | 84.3 | 76.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 591 | S | 24.3 | Very low | 26.8 | Very low | 73 Ų | 73 | 105.2 Ų | 105.2 | 51% | 0.51 | 60% | 0.602 | S | S | . | * | | | cis | -166.9 | 168.4 | 3.3 | -123.2 | 0 | 0 | 0 | 0 | 114.2 | Y921 | S591-Y921 WeakPolarHBondContact CA-OH 3.41Å; S591-Y921 WeakPolarHBondContact CB-OH 3.42Å; S591-Y921 PolarHBondContact N-OH 3.41Å; S591-Y921 PolarHBondContact O-OH 2.75Å; S591-Y921 VanDerWaalsContact O-OH 3.11Å |
| 592 | T | 24.7 | Very low | 27 | Very low | 79 Ų | 79 | 104.3 Ų | 104.3 | 49% | 0.485 | 60% | 0.601 | S | S | . | * | | | trans | 59.8 | 127.5 | 148.8 | 51.6 | 0 | 0 | 0 | 0 | 124.1 | S920 Y921 | T592-S920 WeakPolarHBondContact O-CB 3.5Å; T592-S920 PolarHBondContact O-OG 3.15Å; T592-S920 PolarHBondContact OG1-OG 3.47Å; T592-Y921 WeakPolarHBondContact OG1-CD1 3.31Å; T592-Y921 WeakPolarHBondContact OG1-CE1 3.38Å; T592-Y921 VanDerWaalsContact OG1-CE2 3.28Å; T592-Y921 WeakPolarHBondContact OG1-CE2 3.3Å; T592-Y921 PolarHBondContact OG1-OH 2.68Å |
| 593 | A | 25.6 | Very low | 26.9 | Very low | 69 Ų | 69 | 103.3 Ų | 103.3 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | | | | 68.3 | 147.7 | 115.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | S920 | A593-S920 WeakPolarHBondContact O-CB 3.36Å; A593-S920 PolarHBondContact O-OG 3.18Å |
| 594 | S | 25.2 | Very low | 26.7 | Very low | 87 Ų | 87 | 102 Ų | 102 | 61% | 0.608 | 60% | 0.602 | S | S | * | * | | | trans | 41.4 | 130.2 | 142.6 | -50.8 | 0 | 0 | 0 | 0 | 120.4 | S920 | S594-S920 PolarHBondContact O-N 3.45Š|
| 595 | S | 25.3 | Very low | 26.5 | Very low | 105 Ų | 105 | 106.1 Ų | 106.1 | 73% | 0.734 | 62% | 0.622 | S | S | * | * | | | cis | -155.2 | 157 | 38.5 | -65.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 596 | I | 26.5 | Very low | 26.2 | Very low | 149 Ų | 149 | 107.4 Ų | 107.4 | 76% | 0.764 | 64% | 0.636 | S | S | * | * | | | trans | -14.9 | 141.3 | 134 | -7.9 | 179.3 | 0 | 0 | 0 | 112 | | |
| 597 | Q | 25 | Very low | 26 | Very low | 153 Ų | 153 | 109.9 Ų | 109.9 | 72% | 0.715 | 65% | 0.654 | S | S | * | * | | | | -171.8 | 134.6 | 56.4 | -164.6 | 164.3 | 39.4 | 0 | 0 | 116.9 | | |
| 598 | L | 26.5 | Very low | 25.8 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 66% | 0.66 | 67% | 0.667 | S | S | * | * | | | trans | 37.6 | 121.3 | 147.3 | -57.7 | 170.4 | 0 | 0 | 0 | 122.5 | | |
| 599 | L | 31.2 | Very low | 25.8 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 71% | 0.712 | 67% | 0.672 | S | S | * | * | | | | 70 | 167.5 | 126.9 | -68.8 | 175.6 | 0 | 0 | 0 | 117.9 | | |
| 600 | P | 29.2 | Very low | 25.7 | Very low | 99 Ų | 99 | 108.1 Ų | 108.1 | 64% | 0.643 | 66% | 0.659 | S | S | * | * | | | cis | -132 | -173 | 12 | 44.3 | -27.9 | 0 | 0 | 0 | 116.7 | | |
| 601 | S | 24.8 | Very low | 26 | Very low | 104 Ų | 104 | 108 Ų | 108 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | | | trans | 76.4 | 112.6 | 154 | -58.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 602 | S | 31.1 | Very low | 26.3 | Very low | 104 Ų | 104 | 108.3 Ų | 108.3 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | | | trans | -37.3 | 148.8 | 145 | -36.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 603 | P | 26.5 | Very low | 26.7 | Very low | 117 Ų | 117 | 110.7 Ų | 110.7 | 76% | 0.76 | 69% | 0.685 | S | S | * | * | | | | -111.5 | 140 | 84.2 | 34.9 | -36.2 | 0 | 0 | 0 | 111.2 | | |
| 604 | S | 22.6 | Very low | 26.9 | Very low | 87 Ų | 87 | 110.2 Ų | 110.2 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | | | cis | 67.8 | 139.4 | 38.7 | 88.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 605 | I | 22.8 | Very low | 27.1 | Very low | 148 Ų | 148 | 111.7 Ų | 111.7 | 76% | 0.759 | 69% | 0.692 | S | S | * | * | | | trans | 65.2 | 83.2 | 167.4 | -53.6 | 173.5 | 0 | 0 | 0 | 114 | | |
| 606 | S | 24.7 | Very low | 27.3 | Very low | 93 Ų | 93 | 113.5 Ų | 113.5 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | | 45.3 | 150.5 | 116 | 71.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 607 | T | 23.9 | Very low | 27.2 | Very low | 108 Ų | 108 | 110.4 Ų | 110.4 | 66% | 0.663 | 70% | 0.695 | S | S | * | * | | | | -167.9 | 152.6 | 81.6 | 26.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 608 | N | 23.9 | Very low | 27.2 | Very low | 133 Ų | 133 | 108 Ų | 108 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | | | trans | 40.1 | 138.5 | 137.5 | -45.8 | -5.3 | 0 | 0 | 0 | 118.3 | | |
| 609 | T | 26.2 | Very low | 27.2 | Very low | 113 Ų | 113 | 110.8 Ų | 110.8 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | | | cis | -144.5 | 132.5 | 45.7 | 33 | 0 | 0 | 0 | 0 | 111 | | |
| 610 | T | 25.1 | Very low | 26.8 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 49% | 0.491 | 71% | 0.706 | S | S | . | * | | | | 94.9 | 100.8 | 68.5 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | E725 | T610-E725 HydrophobicContact CG2-CB 4.43Å; T610-E725 HydrophobicContact CG2-CG 3.98Å; T610-E725 VanDerWaalsContact CG2-OE1 3.28Å; T610-E725 WeakPolarHBondContact CG2-OE1 3.31Å |
| 611 | A | 31.3 | Very low | 26.5 | Very low | 104 Ų | 104 | 111.9 Ų | 111.9 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | | | trans | -154.2 | 52.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 612 | T | 29.6 | Very low | 26.5 | Very low | 81 Ų | 81 | 113.3 Ų | 113.3 | 50% | 0.497 | 72% | 0.718 | S | S | . | * | | | trans | -35.2 | 155.3 | 147.1 | 4.2 | 0 | 0 | 0 | 0 | 112 | E725 | T612-E725 PolarHBondContact OG1-OE1 2.99Š|
| 613 | P | 33 | Very low | 26 | Very low | 129 Ų | 129 | 114 Ų | 114 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | | | cis | -139.3 | 173.6 | 46.1 | 39.8 | -21.8 | 0 | 0 | 0 | 116.8 | | |
| 614 | G | 31.5 | Very low | 25.8 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 60% | 0.598 | 73% | 0.726 | S | S | * | * | | | trans | 110 | 58.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 615 | V | 28.5 | Very low | 25.9 | Very low | 118 Ų | 118 | 122 Ų | 122 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | | 48.9 | 98.3 | 78.5 | -176 | 0 | 0 | 0 | 0 | 109.8 | | |
| 616 | V | 30.5 | Very low | 26.4 | Very low | 143 Ų | 143 | 120.4 Ų | 120.4 | 87% | 0.867 | 74% | 0.738 | S | S | * | * | | | cis | 61.2 | 75.5 | 24.4 | -165.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 617 | A | 24.4 | Very low | 26.8 | Very low | 84 Ų | 84 | 121.5 Ų | 121.5 | 69% | 0.694 | 74% | 0.743 | S | S | * | * | | | trans | -156.9 | 145.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 618 | S | 24 | Very low | 27 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | cis | -172.3 | -169.5 | -18 | -104 | 0 | 0 | 0 | 0 | 106.3 | | |
| 619 | E | 25.8 | Very low | 27.6 | Very low | 185 Ų | 185 | 119.5 Ų | 119.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | 75.2 | 151.1 | 165.7 | -60.5 | 179 | -144.5 | 0 | 0 | 117.2 | | |
| 620 | S | 24.1 | Very low | 27.8 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | cis | -158.2 | -177.6 | -26.3 | 57 | 0 | 0 | 0 | 0 | 110.3 | | |
| 621 | L | 23.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 122 Ų | 122 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -79.7 | 153.2 | -179.6 | -67.1 | 149.6 | 0 | 0 | 0 | 111.6 | | |
| 622 | T | 23 | Very low | 27.7 | Very low | 134 Ų | 134 | 120.8 Ų | 120.8 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | | | trans | 58.2 | 125.1 | 158.5 | 55.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 623 | S | 22.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | | | | 179.3 | -146.9 | 57.1 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 624 | W | 22.2 | Very low | 26.9 | Very low | 219 Ų | 219 | 121.1 Ų | 121.1 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | | | trans | -76.7 | 161.4 | -178.7 | -72 | 5.1 | 0 | 0 | 0 | 114.4 | | |
| 625 | N | 24.3 | Very low | 26.8 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | 86.5 | 135.2 | 160.1 | -57.5 | -35.2 | 0 | 0 | 0 | 120 | | |
| 626 | S | 33.1 | Very low | 26.7 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -81 | -176.7 | 175.2 | -25.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 627 | P | 33.3 | Very low | 26.5 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 72% | 0.719 | S | S | * | * | | | cis | -126.3 | -174.3 | 6.2 | 44.5 | -29.4 | 0 | 0 | 0 | 113.9 | | |
| 628 | G | 28.6 | Very low | 26.5 | Very low | 69 Ų | 69 | 120 Ų | 120 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | | | cis | 111.9 | 166.7 | -4.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 629 | L | 34.7 | Very low | 26.4 | Very low | 131 Ų | 131 | 118 Ų | 118 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | | | trans | 70.8 | 119.1 | 159.8 | -79.2 | 168.4 | 0 | 0 | 0 | 121.9 | N631 | L629-N631 HydrophobicContact CB-CB 3.86Å; L629-N631 HydrophobicContact CD1-CB 4.09Å; L629-N631 HydrophobicContact CD2-CB 4.16Å; L629-N631 HydrophobicContact CG-CB 4.26Å; L629-N631 PolarHBondContact O-N 2.82Å |
| 630 | P | 31 | Very low | 26.7 | Very low | 140 Ų | 140 | 115.2 Ų | 115.2 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | | | trans | -83.5 | 56.7 | 137 | 36 | -33.4 | 0 | 0 | 0 | 110.9 | | |
| 631 | N | 28.3 | Very low | 26.8 | Very low | 106 Ų | 106 | 114.5 Ų | 114.5 | 57% | 0.567 | 68% | 0.684 | S | S | * | * | | | trans | -58.9 | 150.2 | 141 | -155.9 | 21.3 | 0 | 0 | 0 | 104.7 | L629 | L629-N631 HydrophobicContact CB-CB 3.86Å; L629-N631 HydrophobicContact CD1-CB 4.09Å; L629-N631 HydrophobicContact CD2-CB 4.16Å; L629-N631 HydrophobicContact CG-CB 4.26Å; L629-N631 PolarHBondContact O-N 2.82Å |
| 632 | S | 25.6 | Very low | 26.8 | Very low | 78 Ų | 78 | 111.7 Ų | 111.7 | 55% | 0.545 | 68% | 0.677 | S | S | . | * | | | cis | -157.2 | 167.3 | 31.7 | -37.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 633 | N | 23.3 | Very low | 26.9 | Very low | 139 Ų | 139 | 113.9 Ų | 113.9 | 74% | 0.743 | 68% | 0.676 | S | S | * | * | | | | -161.1 | 124.4 | 51.3 | -112.3 | -33.5 | 0 | 0 | 0 | 114.9 | | |
| 634 | S | 24.2 | Very low | 27.1 | Very low | 78 Ų | 78 | 114.2 Ų | 114.2 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | | | | 79.1 | 168 | 115.1 | 79.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 635 | N | 27.5 | Very low | 27.3 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | | | trans | 66.8 | 89.1 | 170.5 | -62.5 | -0.1 | 0 | 0 | 0 | 112.6 | | |
| 636 | M | 26.8 | Very low | 27.3 | Very low | 131 Ų | 131 | 110 Ų | 110 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | | | | 59.9 | 108.1 | 83.4 | -65.8 | 176.5 | -176.3 | 0 | 0 | 109.1 | Q1272 | M636-Q1272 VanDerWaalsContact CA-OE1 3.25Š|
| 637 | T | 26.5 | Very low | 27.2 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 41% | 0.411 | 64% | 0.639 | S | S | . | * | | | | -169.9 | 164 | 98.9 | 40.5 | 0 | 0 | 0 | 0 | 109.6 | S1270 G1271 Q1272 | T637-S1270 VanDerWaalsContact O-CB 3.25Å; T637-S1270 WeakPolarHBondContact O-CB 3.28Å; T637-S1270 WeakPolarHBondContact OG1-CB 3.49Å; T637-S1270 PolarHBondContact OG1-OG 3.49Å; T637-G1271 PolarHBondContact OG1-N 3.35Å; T637-Q1272 VanDerWaalsContact CA-OE1 3.3Å; T637-Q1272 HydrophobicContact CG2-CB 3.51Å; T637-Q1272 HydrophobicContact CG2-CG 4.35Å |
| 638 | S | 24.3 | Very low | 27.3 | Very low | 57 Ų | 57 | 115.5 Ų | 115.5 | 40% | 0.399 | 64% | 0.636 | S | S | . | * | | | trans | -96.9 | -106.3 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 115.6 | S1270 G1271 Q1272 I1273 | S638-S1270 WeakPolarHBondContact O-CA 3.29Å; S638-G1271 VanDerWaalsContact N-CA 3.26Å; S638-G1271 WeakPolarHBondContact O-CA 3.27Å; S638-Q1272 VanDerWaalsContact OG-CA 3.25Å; S638-Q1272 WeakPolarHBondContact OG-CA 3.38Å; S638-I1273 PolarHBondContact OG-N 3.44Å |
| 639 | S | 23.1 | Very low | 27.8 | Very low | 61 Ų | 61 | 118.6 Ų | 118.6 | 43% | 0.427 | 64% | 0.636 | S | S | . | * | | | trans | 22.5 | 136.4 | 169.3 | -34 | 0 | 0 | 0 | 0 | 122.8 | P641 G1271 Q1272 | S639-P641 WeakPolarHBondContact O-CD 3.39Å; S639-G1271 VanDerWaalsContact OG-C 3.25Å; S639-Q1272 WeakPolarHBondContact OG-CA 3.35Å; S639-Q1272 PolarHBondContact OG-N 3.48Å; S639-Q1272 VanDerWaalsContact OG-N 3.14Å |
| 640 | S | 31.8 | Very low | 28 | Very low | 127 Ų | 127 | 117.6 Ų | 117.6 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | | | trans | -69.4 | 124.7 | 162 | -43.6 | 0 | 0 | 0 | 0 | 112 | | |
| 641 | P | 26.1 | Very low | 28 | Very low | 92 Ų | 92 | 115.6 Ų | 115.6 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | | | | -142.8 | 160.2 | 113.6 | 41.5 | -28.4 | 0 | 0 | 0 | 111.1 | S639 | S639-P641 WeakPolarHBondContact O-CD 3.39Š|
| 642 | S | 23.1 | Very low | 28.2 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | | | cis | 70.4 | 96.1 | 40.1 | -157.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 643 | F | 24 | Very low | 28.5 | Very low | 180 Ų | 180 | 119.1 Ų | 119.1 | 79% | 0.789 | 64% | 0.639 | S | S | * | * | | | trans | 66.8 | 152.8 | 179.3 | -53.7 | -70.5 | 0 | 0 | 0 | 114.9 | | |
| 644 | H | 26.5 | Very low | 29 | Very low | 123 Ų | 123 | 119.2 Ų | 119.2 | 57% | 0.569 | 64% | 0.639 | S | S | * | * | | | cis | -136.5 | 166.7 | 11.7 | -136 | 25.6 | 0 | 0 | 0 | 109.2 | | |
| 645 | R | 26.4 | Very low | 29.2 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | | 24.9 | 141.4 | 100.6 | -54.9 | -168.5 | -176.3 | 138.1 | -10.5 | 114.4 | | |
| 646 | D | 26 | Very low | 29.3 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 52% | 0.519 | 65% | 0.65 | S | S | . | * | | | cis | -172.2 | 163.6 | 29.7 | -141.1 | -12.8 | 0 | 0 | 0 | 110.3 | | |
| 647 | R | 31 | Very low | 29.5 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 71% | 0.706 | 65% | 0.654 | S | S | * | * | | | trans | 69.4 | 147.9 | 151.8 | -61.4 | 156.1 | -157.8 | -168.9 | 11.8 | 117.3 | | |
| 648 | K | 34.7 | Very low | 29.5 | Very low | 159 Ų | 159 | 123.5 Ų | 123.5 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | | | cis | -152.2 | 128.8 | -10.2 | -116.2 | 163.7 | 178.6 | -175.9 | 0 | 106.5 | | |
| 649 | L | 38.1 | Very low | 29.7 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | | | | 64.7 | 143.8 | 103 | -70.6 | -169.6 | 0 | 0 | 0 | 114.7 | T651 | L649-T651 HydrophobicContact CD2-CG2 4.28Š|
| 650 | P | 40.7 | Very low | 30 | Very low | 111 Ų | 111 | 129.5 Ų | 129.5 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | | | cis | -127.1 | 139.6 | 27.4 | 39.1 | -24.1 | 0 | 0 | 0 | 117.1 | | |
| 651 | T | 30.7 | Very low | 29.8 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | | | trans | 36.4 | 131.5 | 132.8 | 68.1 | 0 | 0 | 0 | 0 | 119.1 | L649 | L649-T651 HydrophobicContact CD2-CG2 4.28Š|
| 652 | T | 32.9 | Very low | 30.4 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | | | | -169.8 | 157.4 | 59.6 | 36.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 653 | I | 30.9 | Very low | 31.1 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | | | cis | -169.5 | 146.9 | -21.8 | -126.7 | 172 | 0 | 0 | 0 | 107.8 | | |
| 654 | N | 34.7 | Very low | 31.4 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 75% | 0.754 | 68% | 0.682 | S | S | * | * | | | trans | 60.4 | 118.6 | 169.1 | -59 | 1.1 | 0 | 0 | 0 | 118.3 | | |
| 655 | D | 28.2 | Very low | 31.4 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | | | cis | 72 | 140.3 | 6.7 | -119.7 | -20.8 | 0 | 0 | 0 | 115.5 | | |
| 656 | T | 29.3 | Very low | 31.4 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | | | cis | -153.9 | -173.2 | 3 | -37.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 657 | I | 29.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 75% | 0.749 | 72% | 0.715 | S | S | * | * | | | trans | 79.3 | 117.1 | 166.7 | -48.3 | 179.9 | 0 | 0 | 0 | 114.9 | | |
| 658 | A | 27.3 | Very low | 31.4 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | | | cis | 72.4 | 111 | -5 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 659 | I | 28.5 | Very low | 30.9 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 86% | 0.856 | 71% | 0.712 | S | S | * | * | | | trans | -137.6 | 101.4 | 147.3 | -57 | -179.1 | 0 | 0 | 0 | 109.9 | | |
| 660 | S | 30.4 | Very low | 30.4 | Very low | 78 Ų | 78 | 124.1 Ų | 124.1 | 55% | 0.545 | 72% | 0.717 | S | S | . | * | | | trans | -101.8 | 160.7 | 134.5 | -161 | 0 | 0 | 0 | 0 | 104.9 | | |
| 661 | T | 26.4 | Very low | 29.8 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 65% | 0.65 | 71% | 0.713 | S | S | * | * | | | | -165.3 | 173.7 | 58 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | M1259 | T661-M1259 VanDerWaalsContact CB-SD 3.54Å; T661-M1259 HydrophobicContact CG2-CE 4.07Å; T661-M1259 HydrophobicContact CG2-SD 3.53Å; T661-M1259 VanDerWaalsContact CG2-SD 3.53Å |
| 662 | Q | 38.1 | Very low | 29.8 | Very low | 92 Ų | 92 | 128.4 Ų | 128.4 | 43% | 0.43 | 72% | 0.721 | S | S | . | * | | | trans | -55.9 | -178.7 | 154.1 | -105.1 | -174.6 | 22.3 | 0 | 0 | 113.1 | C1257 M1258 M1259 | Q662-C1257 PolarHBondContact NE2-O 3.14Å; Q662-M1258 WeakPolarHBondContact CG-O 3.5Å; Q662-M1258 VanDerWaalsContact NE2-C 3.32Å; Q662-M1258 PolarHBondContact NE2-O 2.87Å; Q662-M1259 HydrophobicContact CB-CB 4.06Å; Q662-M1259 HydrophobicContact CB-CE 3.73Å; Q662-M1259 HydrophobicContact CB-CG 3.83Å; Q662-M1259 HydrophobicContact CB-SD 4.4Å; Q662-M1259 HydrophobicContact CG-CB 4.23Å; Q662-M1259 HydrophobicContact CG-CG 4.27Å |
| 663 | P | 38.8 | Very low | 29.5 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | cis | -132.7 | -163 | 18.4 | 40.1 | -18 | 0 | 0 | 0 | 114.4 | | |
| 664 | P | 30.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 133 Ų | 133 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | | | | -140 | 165.4 | 82.7 | 39.4 | -24.5 | 0 | 0 | 0 | 115.7 | | |
| 665 | S | 27.1 | Very low | 29 | Very low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | | | trans | -95.6 | 157.4 | 179.7 | 49.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 666 | S | 25.9 | Very low | 29.1 | Very low | 120 Ų | 120 | 124.6 Ų | 124.6 | 84% | 0.839 | 68% | 0.682 | S | S | * | * | | | trans | -163.6 | 106.4 | 163.5 | -79.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 667 | Q | 29.1 | Very low | 29 | Very low | 186 Ų | 186 | 125.2 Ų | 125.2 | 87% | 0.869 | 68% | 0.681 | S | S | * | * | | | trans | -82.5 | 132 | 151.4 | -74.1 | -175.5 | -14.7 | 0 | 0 | 107.1 | | |
| 668 | V | 27.4 | Very low | 29 | Very low | 125 Ų | 125 | 120.3 Ų | 120.3 | 76% | 0.758 | 67% | 0.667 | S | S | * | * | | | | 51.3 | 76.7 | 74.2 | -172.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 669 | Q | 25 | Very low | 28.9 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 58% | 0.584 | 67% | 0.667 | S | S | * | * | | | | 72.4 | 67.4 | 63.6 | -160 | -175 | 19.7 | 0 | 0 | 114.4 | N2185 | Q669-N2185 PolarHBondContact NE2-ND2 2.69Š|
| 670 | Q | 27.3 | Very low | 28.8 | Very low | 171 Ų | 171 | 120.1 Ų | 120.1 | 80% | 0.799 | 66% | 0.658 | S | S | * | * | | | trans | -178.6 | 150.5 | 146.2 | -101 | 168 | 103.7 | 0 | 0 | 108 | | |
| 671 | Q | 27.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 124.5 Ų | 124.5 | 64% | 0.64 | 67% | 0.67 | S | S | * | * | | | cis | -149.6 | 155.5 | 0.5 | -148.9 | 177 | 85.3 | 0 | 0 | 110.3 | | |
| 672 | Q | 31.5 | Very low | 28.7 | Very low | 163 Ų | 163 | 125 Ų | 125 | 76% | 0.762 | 67% | 0.665 | S | S | * | * | | | trans | 48.6 | 100.6 | 162.3 | -73.4 | 172.4 | 52.4 | 0 | 0 | 120.7 | | |
| 673 | Q | 26.6 | Very low | 28.2 | Very low | 190 Ų | 190 | 129.6 Ų | 129.6 | 89% | 0.888 | 68% | 0.678 | S | S | * | * | | | trans | -84.1 | 141.3 | 134.1 | -70.3 | 178.6 | -16.4 | 0 | 0 | 109.5 | | |
| 674 | R | 27.2 | Very low | 27.6 | Very low | 163 Ų | 163 | 129.9 Ų | 129.9 | 62% | 0.615 | 68% | 0.675 | S | S | * | * | | | trans | 163.9 | 149.2 | 159.8 | -97 | 171.3 | -172.4 | -104.5 | 2.3 | 108.3 | F1437 | R674-F1437 CarbonylContact C-O 3.11Š|
| 675 | S | 28.2 | Very low | 27.6 | Very low | 47 Ų | 47 | 132.1 Ų | 132.1 | 33% | 0.329 | 67% | 0.667 | S | S | . | * | | | cis | -166.6 | 125.8 | -16 | -118.4 | 0 | 0 | 0 | 0 | 111.1 | P1436 F1437 H1438 | S675-P1436 CarbonylContact C-O 3.55Å; S675-P1436 VanDerWaalsContact C-O 3.27Å; S675-P1436 WeakPolarHBondContact CA-O 3.43Å; S675-P1436 WeakPolarHBondContact CB-O 3.5Å; S675-P1436 PolarHBondContact OG-O 2.85Å; S675-F1437 CarbonylContact C-O 3.07Å; S675-F1437 WeakPolarHBondContact CA-O 3.23Å; S675-F1437 PolarHBondContact N-O 2.78Å; S675-H1438 CarbonylContact C-O 3.07Å; S675-H1438 PolarHBondContact N-O 3.28Å |
| 676 | N | 28.9 | Very low | 27.7 | Very low | 59 Ų | 59 | 136.1 Ų | 136.1 | 32% | 0.316 | 67% | 0.666 | S | S | . | * | | | | 146.4 | 162.2 | 94.8 | -119.9 | -52.9 | 0 | 0 | 0 | 107.5 | T1435 P1436 | N676-T1435 PolarHBondContact OD1-O 2.95Å; N676-P1436 WeakPolarHBondContact CA-O 3.34Å; N676-P1436 VanDerWaalsContact CG-O 3.25Å; N676-P1436 PolarHBondContact N-O 3.44Å; N676-P1436 WeakPolarHBondContact OD1-CD 3.45Å; N676-P1436 VanDerWaalsContact OD1-N 3.16Å; N676-P1436 PolarHBondContact OD1-O 3.49Å |
| 677 | N | 28.2 | Very low | 27.9 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 65% | 0.652 | 65% | 0.652 | S | S | * | * | | | cis | -162.6 | 161.7 | -1 | -161.6 | -3.9 | 0 | 0 | 0 | 110.7 | | |
| 678 | G | 28.9 | Very low | 27.9 | Very low | 44 Ų | 44 | 133.6 Ų | 133.6 | 45% | 0.454 | 64% | 0.643 | S | S | . | * | | | trans | 64.8 | 176.5 | 158.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 679 | T | 26.4 | Very low | 28.1 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 76% | 0.761 | 64% | 0.639 | S | S | * | * | | | cis | -166.5 | 143.5 | -20.7 | 9.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 680 | I | 25.9 | Very low | 29 | Very low | 132 Ų | 132 | 132 Ų | 132 | 68% | 0.677 | 65% | 0.646 | S | S | * | * | | | trans | 52.9 | 118.6 | 140.8 | -61.4 | 166.3 | 0 | 0 | 0 | 119.2 | | |
| 681 | E | 26.1 | Very low | 29.2 | Very low | 169 Ų | 169 | 129.6 Ų | 129.6 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | | | trans | 65.7 | 157.8 | 154.7 | -65.6 | 170.7 | -175.8 | 0 | 0 | 116.9 | | |
| 682 | E | 27.3 | Very low | 29.1 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 55% | 0.547 | 65% | 0.646 | S | S | . | * | | | cis | -150.6 | -179.1 | -14.9 | -129.6 | -167.8 | 175.1 | 0 | 0 | 113.6 | | |
| 683 | R | 27.7 | Very low | 28.8 | Very low | 188 Ų | 188 | 125.3 Ų | 125.3 | 71% | 0.709 | 64% | 0.644 | S | S | * | * | | | trans | -4.9 | 136.5 | 137.3 | -73 | -172.4 | -79.5 | 143.9 | -4.9 | 115.1 | | |
| 684 | N | 27.4 | Very low | 28.7 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 57% | 0.572 | 63% | 0.632 | S | S | * | * | | | cis | -176.6 | -178.6 | 2.4 | -147.8 | -32.6 | 0 | 0 | 0 | 109.6 | | |
| 685 | Y | 29.4 | Very low | 28.6 | Very low | 175 Ų | 175 | 122 Ų | 122 | 69% | 0.686 | 64% | 0.635 | S | S | * | * | | | trans | 54.5 | 126.5 | 145.7 | -69.4 | -44 | 0 | 0 | 0 | 122.6 | | |
| 686 | R | 30.2 | Very low | 28.5 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | | | | 71.4 | 147.6 | 129.4 | -71.7 | 176.8 | 165.5 | -150.6 | -6.1 | 116.5 | Y688 | R686-Y688 PolarHBondContact NH1-OH 2.72Š|
| 687 | S | 28.8 | Very low | 28.3 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | | | cis | -174.1 | -178.8 | 8.4 | -113.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 688 | Y | 29.8 | Very low | 28.2 | Very low | 175 Ų | 175 | 129 Ų | 129 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | | | cis | -146.3 | -174.9 | 2.7 | -116.2 | -34.3 | 0 | 0 | 0 | 108.6 | R686 | R686-Y688 PolarHBondContact NH1-OH 2.72Š|
| 689 | P | 31.7 | Very low | 28 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | | | trans | -112.4 | -166.9 | -140.1 | 49.1 | -35.5 | 0 | 0 | 0 | 111.3 | | |
| 690 | P | 44.1 | Very low | 28 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 68% | 0.678 | S | S | * | * | | | trans | -79.8 | 177.6 | -173.1 | 37.1 | -35.1 | 0 | 0 | 0 | 111.5 | | |
| 691 | P | 30.4 | Very low | 28 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | | | | -114.9 | 148.9 | 129.8 | 34.6 | -31.9 | 0 | 0 | 0 | 111.9 | | |
| 692 | S | 26.6 | Very low | 27.9 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | | | trans | -72.8 | 174.5 | 160.2 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 693 | T | 25.2 | Very low | 27.9 | Very low | 118 Ų | 118 | 131.2 Ų | 131.2 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | | | trans | 68.3 | 157.9 | 161.5 | 61.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 694 | Q | 24.8 | Very low | 27.9 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | | | cis | -157.8 | 166.4 | 7.3 | -136.3 | 169 | 110.8 | 0 | 0 | 110.4 | | |
| 695 | Q | 25.2 | Very low | 28 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 67% | 0.668 | 68% | 0.676 | S | S | * | * | | | trans | 58.5 | 141.7 | 140.2 | -86.4 | 175.5 | -2.5 | 0 | 0 | 123.2 | | |
| 696 | I | 25.7 | Very low | 27.8 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 65% | 0.651 | 68% | 0.675 | S | S | * | * | | | | 69.1 | 88.2 | 130 | -63.2 | 170.6 | 0 | 0 | 0 | 117.8 | | |
| 697 | S | 24.5 | Very low | 27.5 | Very low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | | | | 86.4 | 152.8 | 105.8 | -64.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 698 | Q | 26.4 | Very low | 27.3 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.734 | 68% | 0.675 | S | S | * | * | | | trans | 70.1 | 114.1 | 142.2 | -83.4 | 174.5 | 32.1 | 0 | 0 | 118.7 | | |
| 699 | N | 25.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 67% | 0.674 | 68% | 0.678 | S | S | * | * | | | trans | 77.3 | 146.4 | 134.6 | -57.4 | -19.2 | 0 | 0 | 0 | 115.8 | | |
| 700 | Q | 25.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 120.1 Ų | 120.1 | 71% | 0.71 | 68% | 0.676 | S | S | * | * | | | cis | -156 | 178.8 | 10.2 | -137.7 | 168.7 | 120.2 | 0 | 0 | 111.9 | | |
| 701 | M | 26.1 | Very low | 26.4 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 74% | 0.744 | 68% | 0.682 | S | S | * | * | | | trans | 75.2 | 94.4 | 156.6 | -70.3 | 165.8 | 178.9 | 0 | 0 | 119.2 | | |
| 702 | T | 25.3 | Very low | 26.4 | Very low | 142 Ų | 142 | 123.5 Ų | 123.5 | 87% | 0.871 | 67% | 0.671 | S | S | * | * | | | | 51.3 | 134.3 | 124.3 | 54.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 703 | G | 26.8 | Very low | 26.3 | Very low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | | | cis | 151.5 | 165 | 1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 704 | N | 27.6 | Very low | 26.6 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 67% | 0.673 | S | S | * | * | | | trans | 64.7 | 143.1 | 177.1 | -52.1 | -11.8 | 0 | 0 | 0 | 116 | | |
| 705 | G | 28.6 | Very low | 26.6 | Very low | 20 Ų | 20 | 126 Ų | 126 | 21% | 0.206 | 68% | 0.677 | C | S | . | * | | | cis | 128.4 | 131.9 | -5.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | V2230 D2231 | G705-V2230 CarbonylContact O-C 3.35Å; G705-D2231 VanDerWaalsContact CA-CB 3.44Å; G705-D2231 PolarHBondContact N-OD2 2.88Å; G705-D2231 VanDerWaalsContact N-OD2 3.08Å; G705-D2231 PolarHBondContact O-N 3.4Å |
| 706 | T | 25.6 | Very low | 26.6 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | trans | 74.9 | 78.7 | 148.3 | 58.8 | 0 | 0 | 0 | 0 | 123.9 | V2230 D2231 | T706-V2230 CarbonylContact C-O 3.15Å; T706-D2231 VanDerWaalsContact C-N 3.27Å; T706-D2231 CarbonylContact C-O 2.83Å; T706-D2231 WeakPolarHBondContact CA-O 3.33Å; T706-D2231 PolarHBondContact N-O 3.39Å |
| 707 | S | 23.9 | Very low | 26.7 | Very low | 66 Ų | 66 | 127.8 Ų | 127.8 | 46% | 0.462 | 68% | 0.684 | S | S | . | * | | | | 65.4 | 147.3 | 121.7 | 80.5 | 0 | 0 | 0 | 0 | 123.9 | V2230 D2231 | S707-V2230 PolarHBondContact N-O 2.71Å; S707-D2231 PolarHBondContact N-O 2.96Å |
| 708 | K | 25.3 | Very low | 26.8 | Very low | 185 Ų | 185 | 129.7 Ų | 129.7 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | | | trans | 63.1 | 130.1 | 140.7 | -70.9 | 163.7 | -178.7 | 175.1 | 0 | 120.8 | | |
| 709 | Q | 31.4 | Very low | 27.1 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 75% | 0.752 | 69% | 0.689 | S | S | * | * | | | trans | 67.3 | 171.4 | 146.9 | -66.6 | -76.8 | -10.3 | 0 | 0 | 115.9 | | |
| 710 | P | 28 | Very low | 27.2 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | | | cis | -129.9 | 144.1 | -23.3 | 27.9 | -8.9 | 0 | 0 | 0 | 114.6 | | |
| 711 | Y | 26.1 | Very low | 27.6 | Very low | 220 Ų | 220 | 129.9 Ų | 129.9 | 86% | 0.863 | 70% | 0.702 | S | S | * | * | | | trans | 59.2 | -149.3 | 151.8 | -84.4 | -103.5 | 0 | 0 | 0 | 114.9 | | |
| 712 | P | 30.9 | Very low | 27.6 | Very low | 86 Ų | 86 | 128.5 Ų | 128.5 | 56% | 0.558 | 71% | 0.708 | S | S | * | * | | | | -143.3 | -172 | -91.2 | 47.5 | -32.2 | 0 | 0 | 0 | 117.9 | | |
| 713 | F | 24.1 | Very low | 28 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 79% | 0.789 | 70% | 0.703 | S | S | * | * | | | trans | 60.4 | 114.8 | 161.3 | -76.6 | -86 | 0 | 0 | 0 | 115.9 | | |
| 714 | D | 31 | Very low | 28.2 | Very low | 117 Ų | 117 | 130.4 Ų | 130.4 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | | | | 77.4 | 137.5 | 71.5 | -175 | 20.7 | 0 | 0 | 0 | 113.2 | | |
| 715 | S | 25.2 | Very low | 28.1 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | -163.7 | 94.3 | 163.9 | -83.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 716 | H | 26 | Very low | 28 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | trans | 45 | 126.6 | 135.2 | -51.2 | -57.7 | 0 | 0 | 0 | 118.7 | | |
| 717 | M | 26.7 | Very low | 28.2 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | | -153.3 | 108.9 | 72.1 | -89.9 | -74.6 | -146.8 | 0 | 0 | 114 | | |
| 718 | M | 26.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | 34 | 112.9 | 134 | -60.7 | 175.6 | 60.4 | 0 | 0 | 120.2 | | |
| 719 | M | 32.7 | Very low | 28.7 | Very low | 166 Ų | 166 | 136.3 Ų | 136.3 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | | | | 175.1 | 82.6 | 114.1 | -89.1 | -73.6 | -92.9 | 0 | 0 | 109 | | |
| 720 | K | 27.8 | Very low | 28.5 | Very low | 191 Ų | 191 | 136.1 Ų | 136.1 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | | | | 53.6 | 100.1 | 96.7 | -73.8 | -168.7 | 172.8 | -176.2 | 0 | 115.2 | | |
| 721 | G | 33.9 | Very low | 28.4 | Very low | 81 Ų | 81 | 137.1 Ų | 137.1 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | | | trans | -151.3 | 121.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 722 | S | 26.9 | Very low | 28.6 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | | | trans | -92.6 | 160.4 | -167.7 | -88.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 723 | P | 33.3 | Very low | 28.4 | Very low | 119 Ų | 119 | 135.4 Ų | 135.4 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | trans | -82.7 | 173.3 | 175.2 | 37.2 | -38.3 | 0 | 0 | 0 | 112.5 | | |
| 724 | V | 29.8 | Very low | 28.7 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 75% | 0.752 | 73% | 0.726 | S | S | * | * | | | trans | -159.7 | 125 | 144.1 | 131 | 0 | 0 | 0 | 0 | 109.7 | I726 | V724-I726 HydrophobicContact CG1-CB 4.37Š|
| 725 | E | 26.3 | Very low | 28.5 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 58% | 0.575 | 74% | 0.737 | S | S | * | * | | | trans | -90.9 | 130.5 | 147.5 | -60.5 | 174.7 | 138.2 | 0 | 0 | 105.9 | T610 T612 | T610-E725 HydrophobicContact CG2-CB 4.43Å; T610-E725 HydrophobicContact CG2-CG 3.98Å; T610-E725 VanDerWaalsContact CG2-OE1 3.28Å; T610-E725 WeakPolarHBondContact CG2-OE1 3.31Å; T612-E725 PolarHBondContact OG1-OE1 2.99Å |
| 726 | I | 26.3 | Very low | 29 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | | | trans | 173.6 | 147.3 | 165 | -98.3 | 150.6 | 0 | 0 | 0 | 109.6 | V724 | V724-I726 HydrophobicContact CG1-CB 4.37Š|
| 727 | I | 29.6 | Very low | 29.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | | | trans | 61.9 | 110.7 | -175 | -15.2 | -174 | 0 | 0 | 0 | 114 | | |
| 728 | D | 25.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | | | cis | 78.2 | 155.6 | 30 | -127.1 | 19.5 | 0 | 0 | 0 | 113.1 | | |
| 729 | P | 34.5 | Very low | 29.3 | Very low | 103 Ų | 103 | 133.4 Ų | 133.4 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | | -134.3 | 137.6 | -114 | 36.5 | -17 | 0 | 0 | 0 | 117 | | |
| 730 | I | 28 | Very low | 29.2 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -142.7 | 103.9 | 169.1 | -39.3 | -179.7 | 0 | 0 | 0 | 107.4 | | |
| 731 | N | 26.1 | Very low | 29.2 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | | | | 54.9 | 113 | 84.3 | -138.5 | -18.4 | 0 | 0 | 0 | 110.8 | | |
| 732 | I | 30.3 | Very low | 28.9 | Very low | 144 Ų | 144 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | | -168.7 | 147.4 | 79.1 | -83.9 | 152.7 | 0 | 0 | 0 | 111.2 | | |
| 733 | K | 26.6 | Very low | 29.2 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 55% | 0.548 | 69% | 0.69 | S | S | . | * | | | trans | -17.6 | 156 | 165.7 | -55.1 | 174.4 | 176.5 | 176.5 | 0 | 121.7 | | |
| 734 | Q | 29.7 | Very low | 28.8 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 72% | 0.72 | 69% | 0.687 | S | S | * | * | | | trans | 97.1 | 97.9 | 145.6 | -78.7 | 163.3 | 140.1 | 0 | 0 | 121.6 | | |
| 735 | Q | 28 | Very low | 28.5 | Very low | 181 Ų | 181 | 135.9 Ų | 135.9 | 85% | 0.846 | 69% | 0.687 | S | S | * | * | | | | 0.7 | 160.4 | 116.8 | -89.9 | -172.6 | -10.7 | 0 | 0 | 120.3 | | |
| 736 | P | 34.2 | Very low | 28.5 | Very low | 95 Ų | 95 | 134.7 Ų | 134.7 | 62% | 0.617 | 69% | 0.691 | S | S | * | * | | | cis | -141.5 | -176.4 | -10 | 38.7 | -19.2 | 0 | 0 | 0 | 116.4 | | |
| 737 | N | 28 | Very low | 28.5 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | | | trans | 72.9 | 112 | 144.1 | -75.9 | -8.8 | 0 | 0 | 0 | 121.8 | | |
| 738 | N | 27.4 | Very low | 28.5 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | | | | 71.1 | 146.8 | 117.9 | -63.2 | -17 | 0 | 0 | 0 | 120.9 | | |
| 739 | S | 30.9 | Very low | 28.8 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | | | cis | -167 | 153.8 | -18.9 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 740 | S | 29.9 | Very low | 28.6 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 56% | 0.559 | 71% | 0.707 | S | S | * | * | | | trans | 49.4 | 112.9 | 150.6 | 174.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 741 | Y | 27.5 | Very low | 28.6 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 59% | 0.592 | 70% | 0.697 | S | S | * | * | | | | -138.3 | 161.2 | 115.9 | -121 | -80.2 | 0 | 0 | 0 | 112.4 | S916 | Y741-S916 VanDerWaalsContact OH-C 3.25Å; Y741-S916 WeakPolarHBondContact OH-CB 3.19Å; Y741-S916 PolarHBondContact OH-O 2.83Å; Y741-S916 PolarHBondContact OH-OG 3.13Å |
| 742 | F | 29.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -73.3 | 174.9 | -172.8 | -107.8 | -118.9 | 0 | 0 | 0 | 114.3 | | |
| 743 | R | 31.2 | Very low | 28.8 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 60% | 0.596 | 70% | 0.701 | S | S | * | * | | | trans | -47 | 153.7 | -162.3 | -55.7 | -177.3 | 176.2 | -156.4 | 0.4 | 118.7 | | |
| 744 | H | 26.7 | Very low | 28.9 | Very low | 151 Ų | 151 | 132 Ų | 132 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | | | trans | 95.3 | 111.4 | 150.2 | -69.8 | -66.7 | 0 | 0 | 0 | 120 | | |
| 745 | M | 23.1 | Very low | 28.8 | Very low | 155 Ų | 155 | 130 Ų | 130 | 76% | 0.764 | 71% | 0.706 | S | S | * | * | | | trans | 71.1 | 96.5 | 137 | -58.9 | -71.3 | -77.4 | 0 | 0 | 119.4 | | |
| 746 | C | 25.2 | Very low | 28.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 66% | 0.662 | 71% | 0.706 | S | S | * | * | | | trans | 77 | 125 | 131.9 | -60 | 0 | 0 | 0 | 0 | 121.2 | | |
| 747 | T | 27.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 89% | 0.89 | 72% | 0.716 | S | S | * | * | | | trans | 61.1 | 127.7 | 140.3 | 56 | 0 | 0 | 0 | 0 | 120.1 | | |
| 748 | G | 30.1 | Very low | 28.4 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | | | trans | 167.8 | 72.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 749 | Q | 30.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 128 Ų | 128 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | | | trans | -51.6 | 158.8 | 177.9 | -118.3 | 175.8 | -58 | 0 | 0 | 116.9 | | |
| 750 | Q | 30.5 | Very low | 28.3 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | | | trans | 85.5 | 106.8 | 145.3 | -72.1 | -173.3 | -85.5 | 0 | 0 | 122.3 | | |
| 751 | D | 28.2 | Very low | 28.2 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 60% | 0.599 | 72% | 0.718 | S | S | * | * | | | | 102.8 | 115.8 | 105.6 | -70.9 | -0.5 | 0 | 0 | 0 | 123.9 | | |
| 752 | I | 30.3 | Very low | 28.1 | Very low | 131 Ų | 131 | 128 Ų | 128 | 67% | 0.672 | 73% | 0.725 | S | S | * | * | | | | 91.5 | 133.1 | 121.6 | -70.7 | 172.5 | 0 | 0 | 0 | 121 | | |
| 753 | N | 29.1 | Very low | 28 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | 74.4 | 150.3 | 159.8 | -75.7 | -8.9 | 0 | 0 | 0 | 119.8 | | |
| 754 | S | 28.8 | Very low | 27.8 | Very low | 87 Ų | 87 | 124.3 Ų | 124.3 | 61% | 0.608 | 73% | 0.731 | S | S | * | * | | | cis | -158.3 | 154 | 2.3 | -123.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 755 | C | 27.5 | Very low | 27.8 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 76% | 0.757 | 73% | 0.731 | S | S | * | * | | | trans | 57.7 | 110.2 | 140.2 | -61.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 756 | S | 27.1 | Very low | 27.9 | Very low | 122 Ų | 122 | 119 Ų | 119 | 85% | 0.853 | 73% | 0.726 | S | S | * | * | | | trans | -28.6 | 143.1 | 140.2 | 53 | 0 | 0 | 0 | 0 | 117.6 | | |
| 757 | G | 27.8 | Very low | 28 | Very low | 81 Ų | 81 | 121.6 Ų | 121.6 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | | | trans | -147.5 | 92.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 758 | L | 27.7 | Very low | 28 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 79% | 0.791 | 72% | 0.72 | S | S | * | * | | | trans | -49.5 | 178.4 | 176.4 | -97 | 160.2 | 0 | 0 | 0 | 118.8 | | |
| 759 | E | 27.8 | Very low | 27.9 | Very low | 147 Ų | 147 | 121.9 Ų | 121.9 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | | | trans | 77.8 | 130.9 | 163.8 | -53.4 | -60.9 | 115.8 | 0 | 0 | 119.1 | | |
| 760 | H | 28.5 | Very low | 27.7 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | | | cis | 176.2 | 149.7 | -17.6 | -132.9 | -78.9 | 0 | 0 | 0 | 107.8 | | |
| 761 | S | 27.2 | Very low | 27.5 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | | | trans | 69.7 | 151.2 | 154.4 | -50.2 | 0 | 0 | 0 | 0 | 118 | | |
| 762 | S | 26.8 | Very low | 27.4 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -137.1 | 133.1 | 20 | -74.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 763 | I | 26.3 | Very low | 27.2 | Very low | 142 Ų | 142 | 121 Ų | 121 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | | | | 62.8 | 117.9 | 78.8 | -60.5 | 161.5 | 0 | 0 | 0 | 110 | | |
| 764 | S | 26.5 | Very low | 27.2 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | | | cis | -161.2 | 164.9 | 25.3 | -145.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 765 | S | 26.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | | | | 83.8 | 139 | 130 | 65.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 766 | S | 27 | Very low | 27.7 | Very low | 95 Ų | 95 | 120.6 Ų | 120.6 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | | | trans | 80 | 88.4 | 146.4 | 30.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 767 | N | 26.1 | Very low | 27.7 | Very low | 152 Ų | 152 | 120 Ų | 120 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | | | | 52.8 | 128.5 | 105.2 | -62.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 768 | S | 27.3 | Very low | 27.7 | Very low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 71% | 0.714 | S | S | * | * | | | cis | 161.4 | 172.9 | 20.4 | 49.9 | 0 | 0 | 0 | 0 | 106.5 | | |
| 769 | N | 27.5 | Very low | 27.6 | Very low | 147 Ų | 147 | 119 Ų | 119 | 79% | 0.786 | 71% | 0.71 | S | S | * | * | | | trans | 49 | 117.4 | 149.9 | -59.2 | -17.7 | 0 | 0 | 0 | 118.7 | | |
| 770 | S | 26.6 | Very low | 27.6 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | cis | 164.2 | 149.8 | 16.4 | 45.6 | 0 | 0 | 0 | 0 | 107.5 | | |
| 771 | K | 27 | Very low | 27.7 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | | | trans | 66.7 | 138.8 | 138.7 | -79.6 | -179 | 177.7 | -179.2 | 0 | 121.5 | | |
| 772 | Q | 27 | Very low | 27.8 | Very low | 166 Ų | 166 | 119.5 Ų | 119.5 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | | | trans | 81.9 | 100.1 | 141.7 | -74.9 | -178.6 | -42.6 | 0 | 0 | 119.9 | | |
| 773 | C | 25.7 | Very low | 28.2 | Very low | 94 Ų | 94 | 119.7 Ų | 119.7 | 64% | 0.635 | 73% | 0.727 | S | S | * | * | | | | 101.7 | 128.8 | 103.1 | -83.5 | 0 | 0 | 0 | 0 | 120.2 | | |
| 774 | I | 29.3 | Very low | 28.5 | Very low | 157 Ų | 157 | 120 Ų | 120 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | 73.5 | 133.7 | 140.9 | -60.2 | 163.2 | 0 | 0 | 0 | 115.3 | | |
| 775 | G | 28.8 | Very low | 28.7 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | | | trans | -86.8 | -131.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 776 | P | 36.6 | Very low | 28.8 | Very low | 113 Ų | 113 | 122.1 Ų | 122.1 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | cis | -137.2 | -159.9 | 3.1 | 28.4 | -1.7 | 0 | 0 | 0 | 112.9 | | |
| 777 | T | 27.3 | Very low | 29.1 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | | | trans | 70.7 | 122.9 | 148.6 | -15.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 778 | T | 27.5 | Very low | 29.5 | Very low | 123 Ų | 123 | 122.9 Ų | 122.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 52.5 | 104.9 | 146.3 | 49.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 779 | A | 26.3 | Very low | 30 | Very low | 87 Ų | 87 | 125 Ų | 125 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | | 45.6 | 119.5 | 116.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 780 | L | 28.7 | Very low | 30.4 | Very low | 161 Ų | 161 | 126.5 Ų | 126.5 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | | -172.5 | 139.8 | 89 | -92.3 | 169.7 | 0 | 0 | 0 | 113 | | |
| 781 | V | 29.6 | Very low | 30.6 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | trans | 54.5 | 93.7 | 152.3 | -171.3 | 0 | 0 | 0 | 0 | 119.1 | | |
| 782 | S | 29.7 | Very low | 31.1 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | | | | 45.6 | 160.4 | 111.4 | -46.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 783 | P | 35.5 | Very low | 31.8 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | cis | -122.3 | 178.4 | -12.2 | 38 | -23.3 | 0 | 0 | 0 | 112.8 | | |
| 784 | I | 31.4 | Very low | 33.1 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 172.7 | 115.1 | 130.1 | -89 | 155.2 | 0 | 0 | 0 | 111.1 | | |
| 785 | I | 30.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 119.2 Ų | 119.2 | 86% | 0.862 | 75% | 0.745 | S | S | * | * | | | trans | 38.7 | 120.3 | 141.9 | -49.2 | 173.2 | 0 | 0 | 0 | 119.1 | | |
| 786 | G | 29.1 | Very low | 37.5 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | -172 | 23.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 787 | I | 34.2 | Very low | 39.3 | Very low | 140 Ų | 140 | 119.5 Ų | 119.5 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | | | trans | -89.4 | 141.6 | 179.7 | -65.9 | 169.7 | 0 | 0 | 0 | 110.5 | D789 | I787-D789 HydrophobicContact CG2-CB 4.43Å; I787-D789 VanDerWaalsContact CG2-N 3.26Å; I787-D789 WeakPolarHBondContact CG2-OD2 3.42Å |
| 788 | P | 34.1 | Very low | 41.9 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 70% | 0.704 | S | S | * | * | | | trans | -132.1 | 100.9 | 133.9 | 34.2 | -22.2 | 0 | 0 | 0 | 112.9 | | |
| 789 | D | 37.3 | Very low | 44.4 | Very low | 131 Ų | 131 | 115.6 Ų | 115.6 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | | | trans | -62.1 | 159.5 | 153.9 | -67.2 | -68.2 | 0 | 0 | 0 | 110.2 | I787 | I787-D789 HydrophobicContact CG2-CB 4.43Å; I787-D789 VanDerWaalsContact CG2-N 3.26Å; I787-D789 WeakPolarHBondContact CG2-OD2 3.42Å |
| 790 | N | 35.2 | Very low | 46.9 | Very low | 178 Ų | 178 | 116.5 Ų | 116.5 | 95% | 0.952 | 67% | 0.674 | S | S | * | * | | | trans | -146.7 | 115.1 | 155.3 | -120 | -24.6 | 0 | 0 | 0 | 110.5 | | |
| 791 | G | 32.3 | Very low | 49.5 | Very low | 74 Ų | 74 | 113.7 Ų | 113.7 | 76% | 0.763 | 66% | 0.657 | S | S | * | * | S | Bend | trans | 157.9 | -46.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | M793 | G791-M793 PolarHBondContact O-N 3.2Š|
| 792 | C | 36.9 | Very low | 52.2 | Low | 120 Ų | 120 | 111.3 Ų | 111.3 | 81% | 0.811 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -90.4 | 103.7 | 175.7 | -166.1 | 0 | 0 | 0 | 0 | 110.3 | P794 | C792-P794 VanDerWaalsContact O-CD 3.28Å; C792-P794 WeakPolarHBondContact O-CD 3.11Å |
| 793 | M | 41.8 | Very low | 54.8 | Low | 171 Ų | 171 | 112.2 Ų | 112.2 | 84% | 0.842 | 63% | 0.627 | S | S | * | * | | | trans | -61.5 | 115.2 | 174.2 | -95.9 | -75.4 | 164.6 | 0 | 0 | 110.4 | G791 L795 | G791-M793 PolarHBondContact O-N 3.2Å; M793-L795 PolarHBondContact O-N 3.2Å |
| 794 | P | 53.9 | Low | 57.2 | Low | 105 Ų | 105 | 112.1 Ų | 112.1 | 68% | 0.682 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 128.7 | 178.3 | 28.6 | -33.4 | 0 | 0 | 0 | 109.4 | C792 T796 | C792-P794 VanDerWaalsContact O-CD 3.28Å; C792-P794 WeakPolarHBondContact O-CD 3.11Å; P794-T796 PolarHBondContact O-N 3.33Å |
| 795 | L | 66.8 | Low | 59.7 | Low | 73 Ų | 73 | 108 Ų | 108 | 38% | 0.382 | 60% | 0.599 | S | S | . | * | P | Polyproline II helix | trans | -59 | 124.3 | 174.4 | -71.3 | 154.7 | 0 | 0 | 0 | 109.1 | M793 Q799 R803 | M793-L795 PolarHBondContact O-N 3.2Å; L795-Q799 HydrophobicContact CB-CB 4.33Å; L795-Q799 HydrophobicContact CD2-CB 3.97Å; L795-R803 VanDerWaalsContact CD1-CZ 3.45Å |
| 796 | T | 82.2 | Confident | 62.4 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 44% | 0.436 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -59.5 | 155.6 | 174.9 | 72.9 | 0 | 0 | 0 | 0 | 109.9 | P794 E798 Q799 W800 | P794-T796 PolarHBondContact O-N 3.33Å; T796-E798 PolarHBondContact O-N 3.25Å; T796-E798 VanDerWaalsContact O-N 3.14Å; T796-Q799 CarbonylContact O-C 2.78Å; T796-Q799 WeakPolarHBondContact O-CA 3.22Å; T796-Q799 WeakPolarHBondContact O-CB 3.36Å; T796-Q799 PolarHBondContact O-N 2.81Å; T796-Q799 WeakPolarHBondContact OG1-CB 3.16Å; T796-Q799 WeakPolarHBondContact OG1-CG 3.29Å; T796-Q799 PolarHBondContact OG1-N 3.16Å; T796-W800 WeakPolarHBondContact O-CB 3.48Å; T796-W800 PolarHBondContact O-N 2.88Å |
| 797 | Q | 75.6 | Confident | 65 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -54.1 | -37.2 | 176.2 | 177.7 | 63.9 | 10.5 | 0 | 0 | 111.4 | W800 E801 | Q797-W800 PolarHBondContact O-N 3.11Å; Q797-E801 PolarHBondContact NE2-OE1 2.81Å; Q797-E801 WeakPolarHBondContact O-CB 3.47Å; Q797-E801 WeakPolarHBondContact O-CG 3.06Å; Q797-E801 PolarHBondContact O-N 3.46Å |
| 798 | E | 82.1 | Confident | 67.5 | Low | 55 Ų | 55 | 102.7 Ų | 102.7 | 26% | 0.257 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.6 | -38.3 | 175.1 | -157.5 | -138 | 155.6 | 0 | 0 | 112.5 | T796 W800 E801 N802 Y1638 | T796-E798 PolarHBondContact O-N 3.25Å; T796-E798 VanDerWaalsContact O-N 3.14Å; E798-W800 VanDerWaalsContact C-N 3.31Å; E798-W800 PolarHBondContact O-N 3.35Å; E798-E801 PolarHBondContact O-N 2.63Å; E798-N802 WeakPolarHBondContact O-CB 3.39Å; E798-N802 PolarHBondContact O-N 3.32Å; E798-N802 PolarHBondContact O-ND2 2.75Å; E798-N802 PolarHBondContact OE1-ND2 2.87Å; E798-Y1638 HydrophobicContact CB-CE2 4.4Å; E798-Y1638 HydrophobicContact CG-CE2 4.06Å |
| 799 | Q | 78.5 | Confident | 69.7 | Low | 96 Ų | 96 | 102.4 Ų | 102.4 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 171.9 | -74.4 | 173.3 | -9.2 | 0 | 0 | 112.1 | L795 T796 R803 | L795-Q799 HydrophobicContact CB-CB 4.33Å; L795-Q799 HydrophobicContact CD2-CB 3.97Å; T796-Q799 CarbonylContact O-C 2.78Å; T796-Q799 WeakPolarHBondContact O-CA 3.22Å; T796-Q799 WeakPolarHBondContact O-CB 3.36Å; T796-Q799 PolarHBondContact O-N 2.81Å; T796-Q799 WeakPolarHBondContact OG1-CB 3.16Å; T796-Q799 WeakPolarHBondContact OG1-CG 3.29Å; T796-Q799 PolarHBondContact OG1-N 3.16Å; Q799-R803 WeakPolarHBondContact O-CB 3.5Å; Q799-R803 PolarHBondContact O-N 3.42Å |
| 800 | W | 78.8 | Confident | 71.8 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 40% | 0.402 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.6 | -40.5 | 175.6 | -179.1 | -133.5 | 0 | 0 | 0 | 111.9 | T796 Q797 E798 R803 K804 | T796-W800 WeakPolarHBondContact O-CB 3.48Å; T796-W800 PolarHBondContact O-N 2.88Å; Q797-W800 PolarHBondContact O-N 3.11Å; E798-W800 VanDerWaalsContact C-N 3.31Å; E798-W800 PolarHBondContact O-N 3.35Å; W800-R803 PolarHBondContact O-N 3.39Å; W800-K804 VanDerWaalsContact CE2-CE 3.5Å; W800-K804 WeakPolarHBondContact O-CB 3.24Å; W800-K804 WeakPolarHBondContact O-CG 3.2Å; W800-K804 PolarHBondContact O-N 3.39Å |
| 801 | E | 84.5 | Confident | 74.1 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 172 | -76.1 | -177.9 | -162.2 | 0 | 0 | 111.9 | Q797 E798 K804 S805 | Q797-E801 PolarHBondContact NE2-OE1 2.81Å; Q797-E801 WeakPolarHBondContact O-CB 3.47Å; Q797-E801 WeakPolarHBondContact O-CG 3.06Å; Q797-E801 PolarHBondContact O-N 3.46Å; E798-E801 PolarHBondContact O-N 2.63Å; E801-K804 PolarHBondContact O-N 3.41Å; E801-S805 VanDerWaalsContact O-CB 3.23Å; E801-S805 WeakPolarHBondContact O-CB 3.18Å; E801-S805 PolarHBondContact O-N 3.42Å |
| 802 | N | 85.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 101.7 Ų | 101.7 | 37% | 0.369 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 170.5 | -83 | -63.5 | 0 | 0 | 0 | 111.8 | E798 S805 K806 | E798-N802 WeakPolarHBondContact O-CB 3.39Å; E798-N802 PolarHBondContact O-N 3.32Å; E798-N802 PolarHBondContact O-ND2 2.75Å; E798-N802 PolarHBondContact OE1-ND2 2.87Å; N802-S805 PolarHBondContact O-N 2.75Å; N802-K806 WeakPolarHBondContact O-CB 3.08Å; N802-K806 WeakPolarHBondContact O-CG 3.01Å; N802-K806 PolarHBondContact O-N 2.78Å |
| 803 | R | 84.7 | Confident | 78.5 | Confident | 128 Ų | 128 | 99.9 Ų | 99.9 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 174.6 | -170.6 | 179.4 | -72.6 | -154.9 | -3.2 | 111 | L795 Q799 W800 K806 I807 | L795-R803 VanDerWaalsContact CD1-CZ 3.45Å; Q799-R803 WeakPolarHBondContact O-CB 3.5Å; Q799-R803 PolarHBondContact O-N 3.42Å; W800-R803 PolarHBondContact O-N 3.39Å; R803-K806 PolarHBondContact O-N 3.34Å; R803-I807 HydrophobicContact CG-CD1 4.11Å; R803-I807 WeakPolarHBondContact O-CB 3.15Å; R803-I807 VanDerWaalsContact O-CG1 3.23Å; R803-I807 WeakPolarHBondContact O-CG1 3.29Å; R803-I807 PolarHBondContact O-N 2.83Å |
| 804 | K | 85.4 | Confident | 80 | Confident | 106 Ų | 106 | 97.2 Ų | 97.2 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 171.4 | -80.7 | 174.8 | 169.1 | 174.6 | 0 | 112.6 | W800 E801 I807 A808 | W800-K804 VanDerWaalsContact CE2-CE 3.5Å; W800-K804 WeakPolarHBondContact O-CB 3.24Å; W800-K804 WeakPolarHBondContact O-CG 3.2Å; W800-K804 PolarHBondContact O-N 3.39Å; E801-K804 PolarHBondContact O-N 3.41Å; K804-I807 PolarHBondContact O-N 2.83Å; K804-A808 VanDerWaalsContact O-CB 3.31Å; K804-A808 WeakPolarHBondContact O-CB 3.34Å; K804-A808 PolarHBondContact O-N 3.41Å |
| 805 | S | 83.9 | Confident | 80.8 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 43% | 0.434 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | E801 N802 A808 Q809 | E801-S805 VanDerWaalsContact O-CB 3.23Å; E801-S805 WeakPolarHBondContact O-CB 3.18Å; E801-S805 PolarHBondContact O-N 3.42Å; N802-S805 PolarHBondContact O-N 2.75Å; S805-A808 PolarHBondContact O-N 2.82Å; S805-Q809 WeakPolarHBondContact O-CB 3.35Å; S805-Q809 WeakPolarHBondContact O-CG 3.39Å; S805-Q809 PolarHBondContact O-N 3.05Å |
| 806 | K | 86.9 | Confident | 81.1 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 62% | 0.617 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -65.2 | -41.1 | 170.8 | -75.5 | -178.2 | 177.7 | -175.6 | 0 | 112.4 | N802 R803 Q809 L810 | N802-K806 WeakPolarHBondContact O-CB 3.08Å; N802-K806 WeakPolarHBondContact O-CG 3.01Å; N802-K806 PolarHBondContact O-N 2.78Å; R803-K806 PolarHBondContact O-N 3.34Å; K806-Q809 PolarHBondContact O-N 3.31Å; K806-L810 WeakPolarHBondContact O-CB 3.23Å; K806-L810 VanDerWaalsContact O-CG 3.28Å; K806-L810 WeakPolarHBondContact O-CG 3.41Å; K806-L810 PolarHBondContact O-N 2.94Å |
| 807 | I | 84.4 | Confident | 80.3 | Confident | 78 Ų | 78 | 97.2 Ų | 97.2 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 173.3 | -71.3 | 163.5 | 0 | 0 | 0 | 110.3 | R803 K804 Q809 L810 E811 | R803-I807 HydrophobicContact CG-CD1 4.11Å; R803-I807 WeakPolarHBondContact O-CB 3.15Å; R803-I807 VanDerWaalsContact O-CG1 3.23Å; R803-I807 WeakPolarHBondContact O-CG1 3.29Å; R803-I807 PolarHBondContact O-N 2.83Å; K804-I807 PolarHBondContact O-N 2.83Å; I807-Q809 VanDerWaalsContact C-N 3.35Å; I807-Q809 PolarHBondContact O-N 2.96Å; I807-L810 CarbonylContact O-C 3.5Å; I807-L810 PolarHBondContact O-N 3.25Å; I807-L810 VanDerWaalsContact O-N 3.16Å; I807-E811 HydrophobicContact CG2-CG 4.31Å; I807-E811 WeakPolarHBondContact O-CB 3.41Å; I807-E811 WeakPolarHBondContact O-CG 3.24Å; I807-E811 PolarHBondContact O-N 2.85Å |
| 808 | A | 85.7 | Confident | 79.6 | Confident | 53 Ų | 53 | 96.2 Ų | 96.2 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.8 | -32.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K804 S805 K812 | K804-A808 VanDerWaalsContact O-CB 3.31Å; K804-A808 WeakPolarHBondContact O-CB 3.34Å; K804-A808 PolarHBondContact O-N 3.41Å; S805-A808 PolarHBondContact O-N 2.82Å; A808-K812 WeakPolarHBondContact O-CB 3.39Å; A808-K812 PolarHBondContact O-N 3.27Å |
| 809 | Q | 81.6 | Confident | 78.3 | Confident | 118 Ų | 118 | 102 Ų | 102 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.4 | -41.2 | 169.4 | -79.7 | -169 | -2.8 | 0 | 0 | 111.7 | S805 K806 I807 K812 I813 | S805-Q809 WeakPolarHBondContact O-CB 3.35Å; S805-Q809 WeakPolarHBondContact O-CG 3.39Å; S805-Q809 PolarHBondContact O-N 3.05Å; K806-Q809 PolarHBondContact O-N 3.31Å; I807-Q809 VanDerWaalsContact C-N 3.35Å; I807-Q809 PolarHBondContact O-N 2.96Å; Q809-K812 PolarHBondContact O-N 3Å; Q809-I813 WeakPolarHBondContact O-CB 3.42Å; Q809-I813 WeakPolarHBondContact O-CG1 3.44Å; Q809-I813 PolarHBondContact O-N 3.04Å |
| 810 | L | 81.6 | Confident | 77 | Confident | 96 Ų | 96 | 101.8 Ų | 101.8 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.3 | -73.6 | 167.5 | 0 | 0 | 0 | 111.3 | K806 I807 K812 I813 H814 | K806-L810 WeakPolarHBondContact O-CB 3.23Å; K806-L810 VanDerWaalsContact O-CG 3.28Å; K806-L810 WeakPolarHBondContact O-CG 3.41Å; K806-L810 PolarHBondContact O-N 2.94Å; I807-L810 CarbonylContact O-C 3.5Å; I807-L810 PolarHBondContact O-N 3.25Å; I807-L810 VanDerWaalsContact O-N 3.16Å; L810-K812 VanDerWaalsContact C-N 3.29Å; L810-K812 PolarHBondContact O-N 3.12Å; L810-I813 PolarHBondContact O-N 2.91Å; L810-H814 VanDerWaalsContact O-CB 3.3Å; L810-H814 WeakPolarHBondContact O-CB 3.37Å; L810-H814 PolarHBondContact O-CD2 3.26Å; L810-H814 PolarHBondContact O-N 3.05Å |
| 811 | E | 82.1 | Confident | 75.6 | Confident | 121 Ų | 121 | 106 Ų | 106 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.1 | -34.7 | 172.7 | -74 | -179.7 | 158.9 | 0 | 0 | 111.7 | I807 S815 | I807-E811 HydrophobicContact CG2-CG 4.31Å; I807-E811 WeakPolarHBondContact O-CB 3.41Å; I807-E811 WeakPolarHBondContact O-CG 3.24Å; I807-E811 PolarHBondContact O-N 2.85Å; E811-S815 WeakPolarHBondContact O-CA 3.06Å; E811-S815 WeakPolarHBondContact O-CB 3.31Å; E811-S815 PolarHBondContact O-N 2.88Å; E811-S815 PolarHBondContact O-OG 3.36Å |
| 812 | K | 83.4 | Confident | 73.4 | Confident | 151 Ų | 151 | 106.3 Ų | 106.3 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.2 | -41.7 | 172.6 | -173.7 | 175.1 | -178.6 | -179.8 | 0 | 112 | A808 Q809 L810 S815 T816 | A808-K812 WeakPolarHBondContact O-CB 3.39Å; A808-K812 PolarHBondContact O-N 3.27Å; Q809-K812 PolarHBondContact O-N 3Å; L810-K812 VanDerWaalsContact C-N 3.29Å; L810-K812 PolarHBondContact O-N 3.12Å; K812-S815 PolarHBondContact O-N 2.72Å; K812-T816 PolarHBondContact O-N 3.02Å; K812-T816 PolarHBondContact O-OG1 3.47Å; K812-T816 VanDerWaalsContact O-OG1 3.14Å |
| 813 | I | 79.4 | Confident | 71.1 | Confident | 82 Ų | 82 | 107.3 Ų | 107.3 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -48.3 | 176.3 | -73.4 | 164.3 | 0 | 0 | 0 | 110 | Q809 L810 S815 T816 L817 | Q809-I813 WeakPolarHBondContact O-CB 3.42Å; Q809-I813 WeakPolarHBondContact O-CG1 3.44Å; Q809-I813 PolarHBondContact O-N 3.04Å; L810-I813 PolarHBondContact O-N 2.91Å; I813-S815 VanDerWaalsContact C-N 3.31Å; I813-S815 PolarHBondContact O-N 3.42Å; I813-T816 WeakPolarHBondContact CA-OG1 3.23Å; I813-T816 PolarHBondContact O-N 3.17Å; I813-T816 VanDerWaalsContact O-N 3.13Å; I813-T816 PolarHBondContact O-OG1 3.3Å; I813-L817 HydrophobicContact CG2-CD1 3.73Å; I813-L817 HydrophobicContact CG2-CG 4.3Å; I813-L817 WeakPolarHBondContact O-CB 3.33Å; I813-L817 VanDerWaalsContact O-CG 3.31Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 2.94Å |
| 814 | H | 73.4 | Confident | 68.8 | Low | 114 Ų | 114 | 106.6 Ų | 106.6 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.3 | -39.3 | 171.9 | -79.5 | -122.1 | 0 | 0 | 0 | 111.2 | L810 T816 L817 S818 | L810-H814 VanDerWaalsContact O-CB 3.3Å; L810-H814 WeakPolarHBondContact O-CB 3.37Å; L810-H814 PolarHBondContact O-CD2 3.26Å; L810-H814 PolarHBondContact O-N 3.05Å; H814-T816 VanDerWaalsContact C-N 3.33Å; H814-T816 PolarHBondContact O-N 3.31Å; H814-L817 PolarHBondContact O-N 3Å; H814-S818 WeakPolarHBondContact O-CB 3.47Å; H814-S818 PolarHBondContact O-N 2.99Å; H814-S818 PolarHBondContact O-OG 2.97Å; H814-S818 VanDerWaalsContact O-OG 3.12Å |
| 815 | S | 70.8 | Confident | 66.6 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 46% | 0.455 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66 | -32.4 | 174.3 | -67.7 | 0 | 0 | 0 | 0 | 113.2 | E811 K812 I813 K819 | E811-S815 WeakPolarHBondContact O-CA 3.06Å; E811-S815 WeakPolarHBondContact O-CB 3.31Å; E811-S815 PolarHBondContact O-N 2.88Å; E811-S815 PolarHBondContact O-OG 3.36Å; K812-S815 PolarHBondContact O-N 2.72Å; I813-S815 VanDerWaalsContact C-N 3.31Å; I813-S815 PolarHBondContact O-N 3.42Å; S815-K819 WeakPolarHBondContact O-CB 3.32Å; S815-K819 WeakPolarHBondContact O-CD 3.49Å; S815-K819 WeakPolarHBondContact O-CG 3.42Å; S815-K819 PolarHBondContact O-N 3.28Å |
| 816 | T | 71.6 | Confident | 64.3 | Low | 78 Ų | 78 | 109.5 Ų | 109.5 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -75.8 | -43.7 | 172 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | K812 I813 H814 K819 S820 | K812-T816 PolarHBondContact O-N 3.02Å; K812-T816 PolarHBondContact O-OG1 3.47Å; K812-T816 VanDerWaalsContact O-OG1 3.14Å; I813-T816 WeakPolarHBondContact CA-OG1 3.23Å; I813-T816 PolarHBondContact O-N 3.17Å; I813-T816 VanDerWaalsContact O-N 3.13Å; I813-T816 PolarHBondContact O-OG1 3.3Å; H814-T816 VanDerWaalsContact C-N 3.33Å; H814-T816 PolarHBondContact O-N 3.31Å; T816-K819 CarbonylContact O-C 3.26Å; T816-K819 PolarHBondContact O-N 3.35Å; T816-S820 PolarHBondContact O-N 3.31Å; T816-S820 PolarHBondContact O-OG 3.47Å; T816-S820 VanDerWaalsContact O-OG 3.09Å |
| 817 | L | 65.6 | Low | 61.7 | Low | 106 Ų | 106 | 104.9 Ų | 104.9 | 56% | 0.555 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.9 | -46.1 | 179.9 | -69.2 | 172.8 | 0 | 0 | 0 | 111.5 | I813 H814 K819 S820 K821 | I813-L817 HydrophobicContact CG2-CD1 3.73Å; I813-L817 HydrophobicContact CG2-CG 4.3Å; I813-L817 WeakPolarHBondContact O-CB 3.33Å; I813-L817 VanDerWaalsContact O-CG 3.31Å; I813-L817 WeakPolarHBondContact O-CG 3.37Å; I813-L817 PolarHBondContact O-N 2.94Å; H814-L817 PolarHBondContact O-N 3Å; L817-K819 PolarHBondContact O-N 3.25Å; L817-S820 PolarHBondContact O-N 3.25Å; L817-K821 WeakPolarHBondContact O-CB 3.29Å; L817-K821 PolarHBondContact O-N 2.8Å |
| 818 | S | 61.2 | Low | 59.5 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.3 | -17 | 174.5 | -63.6 | 0 | 0 | 0 | 0 | 113.8 | H814 | H814-S818 WeakPolarHBondContact O-CB 3.47Å; H814-S818 PolarHBondContact O-N 2.99Å; H814-S818 PolarHBondContact O-OG 2.97Å; H814-S818 VanDerWaalsContact O-OG 3.12Å |
| 819 | K | 54.9 | Low | 57 | Low | 177 Ų | 177 | 108.4 Ų | 108.4 | 77% | 0.77 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -92.7 | -10.2 | 170 | -73.8 | 179.2 | -179.8 | -179 | 0 | 113.8 | S815 T816 L817 | S815-K819 WeakPolarHBondContact O-CB 3.32Å; S815-K819 WeakPolarHBondContact O-CD 3.49Å; S815-K819 WeakPolarHBondContact O-CG 3.42Å; S815-K819 PolarHBondContact O-N 3.28Å; T816-K819 CarbonylContact O-C 3.26Å; T816-K819 PolarHBondContact O-N 3.35Å; L817-K819 PolarHBondContact O-N 3.25Å |
| 820 | S | 52.1 | Low | 54.7 | Low | 90 Ų | 90 | 107.9 Ų | 107.9 | 63% | 0.629 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -100.4 | -13.1 | 174.3 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | T816 L817 S822 | T816-S820 PolarHBondContact O-N 3.31Å; T816-S820 PolarHBondContact O-OG 3.47Å; T816-S820 VanDerWaalsContact O-OG 3.09Å; L817-S820 PolarHBondContact O-N 3.25Å; S820-S822 PolarHBondContact O-N 3.48Å |
| 821 | K | 47.9 | Very low | 52.3 | Low | 194 Ų | 194 | 108 Ų | 108 | 84% | 0.843 | 65% | 0.645 | S | S | * | * | | | trans | -80 | 38.6 | -168.4 | -149.6 | 176.5 | -175.6 | -178.7 | 0 | 114.7 | L817 | L817-K821 WeakPolarHBondContact O-CB 3.29Å; L817-K821 PolarHBondContact O-N 2.8Å |
| 822 | S | 38.5 | Very low | 49.9 | Very low | 110 Ų | 110 | 106.3 Ų | 106.3 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | | | trans | -138.4 | 45.2 | -177.2 | 65 | 0 | 0 | 0 | 0 | 113.5 | S820 | S820-S822 PolarHBondContact O-N 3.48Š|
| 823 | A | 37.5 | Very low | 47.7 | Very low | 89 Ų | 89 | 105.3 Ų | 105.3 | 74% | 0.736 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -155.2 | 118.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 824 | S | 36 | Very low | 45.4 | Very low | 113 Ų | 113 | 106.2 Ų | 106.2 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | | | trans | 38.6 | 108.4 | 158.7 | -49.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 825 | T | 40 | Very low | 43.3 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 72% | 0.724 | 69% | 0.689 | S | S | * | * | | | | 21.6 | 150.9 | 117.8 | 8.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 826 | P | 36.6 | Very low | 41.6 | Very low | 111 Ų | 111 | 106 Ų | 106 | 72% | 0.721 | 71% | 0.707 | S | S | * | * | | | | -138.4 | 175.9 | -52.7 | 40.5 | -24.4 | 0 | 0 | 0 | 114.6 | | |
| 827 | G | 32.4 | Very low | 40 | Very low | 45 Ų | 45 | 109 Ų | 109 | 46% | 0.464 | 73% | 0.725 | S | S | . | * | | | trans | 98.8 | 164.3 | 149 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 828 | A | 36.9 | Very low | 38.8 | Very low | 85 Ų | 85 | 111.3 Ų | 111.3 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | | | trans | 66.9 | 89.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 829 | I | 33.3 | Very low | 38.2 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | | 46.7 | 119.9 | 114.9 | -63.6 | 175.5 | 0 | 0 | 0 | 119.6 | | |
| 830 | T | 32.6 | Very low | 37.8 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | | | trans | 63.3 | 124.4 | 147.8 | -61.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 831 | A | 31 | Very low | 37.4 | Very low | 98 Ų | 98 | 123.4 Ų | 123.4 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 61.3 | 141.8 | 158.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 832 | A | 33.1 | Very low | 37.4 | Very low | 85 Ų | 85 | 122.2 Ų | 122.2 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | cis | -155.3 | 149.6 | 14.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 833 | T | 36 | Very low | 37.8 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | | 45.7 | 109.8 | 126 | -50.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 834 | A | 30.9 | Very low | 38 | Very low | 101 Ų | 101 | 121.1 Ų | 121.1 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | | | trans | 32.8 | 109.3 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 835 | G | 30.5 | Very low | 38 | Very low | 73 Ų | 73 | 119.2 Ų | 119.2 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | | | trans | -120.3 | 22.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 836 | A | 35.1 | Very low | 38 | Very low | 102 Ų | 102 | 116.6 Ų | 116.6 | 84% | 0.843 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -94.3 | 10.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 837 | V | 37.6 | Very low | 38 | Very low | 140 Ų | 140 | 117.6 Ų | 117.6 | 85% | 0.848 | 70% | 0.697 | S | S | * | * | | | trans | -139.5 | 83 | 175 | -172.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 838 | L | 41.3 | Very low | 38.2 | Very low | 154 Ų | 154 | 119.2 Ų | 119.2 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | | | trans | -143.5 | 32.4 | 179.8 | -127.3 | 171.6 | 0 | 0 | 0 | 114.8 | | |
| 839 | Q | 48.4 | Very low | 38.2 | Very low | 194 Ų | 194 | 120.8 Ų | 120.8 | 91% | 0.907 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -107.7 | 9.7 | -178.7 | -152.1 | 171 | 13.2 | 0 | 0 | 114.7 | | |
| 840 | Q | 45.4 | Very low | 38.4 | Very low | 188 Ų | 188 | 121.3 Ų | 121.3 | 88% | 0.879 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -129.3 | 12.8 | -167.9 | -141.2 | 178.9 | 14.5 | 0 | 0 | 117.5 | | |
| 841 | R | 44.7 | Very low | 38.7 | Very low | 232 Ų | 232 | 118.8 Ų | 118.8 | 88% | 0.875 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -108.6 | -7.5 | 172.9 | -87 | -174.8 | 173.6 | 171 | -0.5 | 115.6 | M843 | R841-M843 VanDerWaalsContact C-N 3.31Å; R841-M843 PolarHBondContact O-N 3.31Å |
| 842 | L | 48 | Very low | 39.1 | Very low | 169 Ų | 169 | 119.3 Ų | 119.3 | 89% | 0.885 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 41.9 | -165.4 | -118.2 | 172.4 | 0 | 0 | 0 | 115.8 | | |
| 843 | M | 46.6 | Very low | 39.5 | Very low | 82 Ų | 82 | 120.4 Ų | 120.4 | 40% | 0.404 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -138.1 | 2.6 | 174.7 | -78.9 | -174.3 | 23.4 | 0 | 0 | 114.4 | R841 H1613 R1615 | R841-M843 VanDerWaalsContact C-N 3.31Å; R841-M843 PolarHBondContact O-N 3.31Å; M843-H1613 HydrophobicContact CE-CB 4.07Å; M843-H1613 VanDerWaalsContact CE-O 3.29Å; M843-H1613 WeakPolarHBondContact CE-O 3.4Å; M843-R1615 VanDerWaalsContact CE-O 3.28Å; M843-R1615 WeakPolarHBondContact CE-O 3.39Å; M843-R1615 VanDerWaalsContact CG-O 3.3Å; M843-R1615 WeakPolarHBondContact CG-O 3.42Å |
| 844 | R | 41 | Very low | 39.8 | Very low | 94 Ų | 94 | 120.9 Ų | 120.9 | 36% | 0.355 | 65% | 0.65 | S | S | . | * | | | trans | -134.2 | 66 | -162.7 | -67.3 | -149.2 | 100.8 | 152.7 | -14.2 | 114.5 | K2118 N2120 | R844-K2118 VanDerWaalsContact NH1-CA 3.33Å; R844-K2118 PolarHBondContact NH1-O 2.99Å; R844-K2118 PolarHBondContact NH2-O 3.32Å; R844-N2120 WeakPolarHBondContact CA-OD1 3.28Å; R844-N2120 HydrophobicContact CB-CB 4.46Å; R844-N2120 WeakPolarHBondContact CB-OD1 3.07Å; R844-N2120 PolarHBondContact NE-ND2 3.01Å; R844-N2120 PolarHBondContact O-OD1 3.2Å |
| 845 | N | 37.2 | Very low | 39.9 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 39% | 0.39 | 62% | 0.621 | S | S | . | * | | | | -164.9 | 158.5 | 126.4 | -87.2 | -34.6 | 0 | 0 | 0 | 110.2 | N2120 I2121 S2122 | N845-N2120 PolarHBondContact OD1-OD1 2.82Å; N845-I2121 VanDerWaalsContact OD1-CA 3.29Å; N845-I2121 WeakPolarHBondContact OD1-CA 3.45Å; N845-I2121 PolarHBondContact OD1-N 2.98Å; N845-S2122 VanDerWaalsContact ND2-CA 3.28Å; N845-S2122 WeakPolarHBondContact ND2-CA 3.46Å; N845-S2122 VanDerWaalsContact ND2-CB 3.35Å; N845-S2122 WeakPolarHBondContact ND2-CB 3.21Å; N845-S2122 PolarHBondContact ND2-N 3.39Å; N845-S2122 VanDerWaalsContact ND2-N 3.19Å |
| 846 | S | 38.9 | Very low | 40.1 | Very low | 64 Ų | 64 | 121.1 Ų | 121.1 | 45% | 0.448 | 62% | 0.618 | S | S | . | * | | | trans | -155.7 | 138.5 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 847 | M | 38.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | | | trans | 75.6 | 139.2 | -171.8 | -51.8 | 171.9 | -69.2 | 0 | 0 | 114.3 | Q1619 | M847-Q1619 VanDerWaalsContact N-CD 3.27Å; M847-Q1619 VanDerWaalsContact N-OE1 3.11Å |
| 848 | S | 35.8 | Very low | 39.9 | Very low | 79 Ų | 79 | 123.6 Ų | 123.6 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | | | cis | -171.1 | 132.3 | -13 | 48 | 0 | 0 | 0 | 0 | 114.9 | D1621 | S848-D1621 WeakPolarHBondContact CA-OD2 3.37Å; S848-D1621 PolarHBondContact N-OD2 2.91Å |
| 849 | M | 37.1 | Very low | 39.4 | Very low | 118 Ų | 118 | 124 Ų | 124 | 58% | 0.581 | 60% | 0.599 | S | S | * | * | | | trans | 85.3 | 109 | 134.9 | -66.4 | -94.3 | -72.7 | 0 | 0 | 120.9 | D1621 | M849-D1621 VanDerWaalsContact N-CG 3.31Å; M849-D1621 PolarHBondContact N-OD1 2.71Å; M849-D1621 PolarHBondContact N-OD2 3.38Å |
| 850 | Q | 37.9 | Very low | 38.7 | Very low | 131 Ų | 131 | 121.7 Ų | 121.7 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | | | | 82.9 | 154.4 | 125.8 | -74.6 | -161.4 | -65.4 | 0 | 0 | 120.9 | | |
| 851 | P | 37.9 | Very low | 38.3 | Very low | 55 Ų | 55 | 120.2 Ų | 120.2 | 36% | 0.357 | 58% | 0.581 | S | S | . | * | | | trans | -139.6 | -165.5 | -144 | 41.4 | -19.7 | 0 | 0 | 0 | 115.9 | | |
| 852 | Q | 40.2 | Very low | 38.1 | Very low | 108 Ų | 108 | 116 Ų | 116 | 51% | 0.505 | 57% | 0.571 | S | S | . | * | | | trans | 72.4 | 109 | 141.1 | -163.8 | -170.4 | -0.4 | 0 | 0 | 120.1 | H2129 | Q852-H2129 VanDerWaalsContact CD-CE1 3.5Š|
| 853 | Q | 41.3 | Very low | 37.6 | Very low | 109 Ų | 109 | 114.9 Ų | 114.9 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | | | | 174 | 110.2 | 120.5 | -95 | 169.7 | 79.7 | 0 | 0 | 109.1 | | |
| 854 | Q | 42 | Very low | 37.1 | Very low | 141 Ų | 141 | 118.1 Ų | 118.1 | 66% | 0.659 | 58% | 0.575 | S | S | * | * | | | | 86.8 | 149.4 | 56.9 | -166.3 | 174.6 | 17.9 | 0 | 0 | 114 | H1999 | Q854-H1999 PolarHBondContact O-N 3.01Š|
| 855 | S | 33.3 | Very low | 37.1 | Very low | 33 Ų | 33 | 121.6 Ų | 121.6 | 23% | 0.231 | 60% | 0.595 | C | S | . | * | | | trans | 61.6 | 90.2 | 162.3 | 64 | 0 | 0 | 0 | 0 | 119.3 | I1998 H1999 Q2000 | S855-I1998 CarbonylContact O-C 3.36Å; S855-H1999 CarbonylContact O-C 2.98Å; S855-H1999 VanDerWaalsContact O-C 3.26Å; S855-H1999 WeakPolarHBondContact O-CA 3.45Å; S855-H1999 PolarHBondContact O-N 2.75Å; S855-H1999 VanDerWaalsContact OG-C 3.26Å; S855-H1999 WeakPolarHBondContact OG-CA 3.34Å; S855-Q2000 WeakPolarHBondContact OG-CA 3.48Å; S855-Q2000 PolarHBondContact OG-N 2.98Å |
| 856 | H | 33.4 | Very low | 37.2 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 68% | 0.676 | 61% | 0.606 | S | S | * | * | | | | 48.9 | 131.7 | 120.4 | -56.4 | -55.5 | 0 | 0 | 0 | 123.1 | | |
| 857 | H | 32.9 | Very low | 36.9 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | | | | 93.4 | 122.5 | 124.5 | -88.8 | 13.8 | 0 | 0 | 0 | 119.6 | | |
| 858 | H | 36.4 | Very low | 36.5 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | | | trans | 57.4 | 120.4 | 150.6 | -66.1 | 72.1 | 0 | 0 | 0 | 116.5 | | |
| 859 | H | 30.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 134.7 Ų | 134.7 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | | | | -179.9 | 163.6 | 117.8 | -101.4 | 79 | 0 | 0 | 0 | 111.4 | | |
| 860 | H | 34.6 | Very low | 36.2 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.676 | 65% | 0.646 | S | S | * | * | | | trans | 71.2 | 142 | 157.6 | -62.2 | -16.2 | 0 | 0 | 0 | 117.8 | | |
| 861 | H | 35.5 | Very low | 36.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 72% | 0.722 | 65% | 0.649 | S | S | * | * | | | cis | -132.1 | -160.3 | -14.5 | -67.1 | -70.2 | 0 | 0 | 0 | 107.5 | | |
| 862 | H | 41.3 | Very low | 37.3 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 67% | 0.667 | 67% | 0.67 | S | S | * | * | | | cis | -155.9 | 140.7 | -2.1 | -152.2 | -113.8 | 0 | 0 | 0 | 105.2 | | |
| 863 | H | 37.5 | Very low | 37.7 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 68% | 0.676 | 67% | 0.673 | S | S | * | * | | | | 36.1 | 130.6 | 85.7 | -78.8 | -101 | 0 | 0 | 0 | 115 | | |
| 864 | H | 36.6 | Very low | 38.3 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | | | cis | -116.8 | -171.6 | 0.9 | -70.1 | -81.9 | 0 | 0 | 0 | 109.5 | | |
| 865 | Q | 40.2 | Very low | 38.5 | Very low | 167 Ų | 167 | 140.9 Ų | 140.9 | 78% | 0.78 | 70% | 0.698 | S | S | * | * | | | cis | -153.1 | -145.3 | 14.2 | -152.5 | 176 | 53.5 | 0 | 0 | 111.5 | | |
| 866 | Q | 40.1 | Very low | 38.6 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | | | trans | -148.3 | 160.9 | -167.5 | -50.6 | 98.1 | -107.9 | 0 | 0 | 111.7 | | |
| 867 | Q | 31.6 | Very low | 39.3 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | | | cis | -175.6 | 125.2 | -20.5 | -103.5 | 167.6 | -40 | 0 | 0 | 107.7 | | |
| 868 | Q | 29.6 | Very low | 39.1 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 86% | 0.864 | 72% | 0.715 | S | S | * | * | | | trans | -172.4 | 135.2 | 156.1 | -112 | 165.5 | 72.1 | 0 | 0 | 114.8 | | |
| 869 | L | 33 | Very low | 38.8 | Very low | 133 Ų | 133 | 138 Ų | 138 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | | | trans | 64.4 | 109.1 | 146.4 | -68.5 | 162.9 | 0 | 0 | 0 | 124.5 | | |
| 870 | E | 34.8 | Very low | 38.5 | Very low | 150 Ų | 150 | 136 Ų | 136 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | | | | 84.5 | 143.1 | 123.5 | -99.7 | -173.3 | 82.7 | 0 | 0 | 126.8 | | |
| 871 | Q | 49.5 | Very low | 38.1 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | | | trans | 64.1 | 128.2 | 160.2 | -66.5 | -171.9 | 50.4 | 0 | 0 | 119.1 | | |
| 872 | Q | 47.9 | Very low | 37.5 | Very low | 171 Ų | 171 | 133.6 Ų | 133.6 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | | | | 69.3 | 142.8 | 64 | -74.2 | -164.3 | 65.4 | 0 | 0 | 113.5 | | |
| 873 | S | 49 | Very low | 36.8 | Very low | 82 Ų | 82 | 133.8 Ų | 133.8 | 57% | 0.573 | 72% | 0.724 | S | S | * | * | | | cis | -157.7 | 136.5 | 6.4 | 128.5 | 0 | 0 | 0 | 0 | 114 | G875 | S873-G875 PolarHBondContact O-N 2.85Å; S873-G875 VanDerWaalsContact O-N 3.1Å |
| 874 | L | 55.5 | Low | 36.6 | Very low | 161 Ų | 161 | 132 Ų | 132 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | | | trans | 51.5 | 38.6 | 132.2 | -44.2 | 172.7 | 0 | 0 | 0 | 119.9 | L876 | L874-L876 VanDerWaalsContact C-N 3.3Å; L874-L876 PolarHBondContact O-N 3.2Å |
| 875 | G | 45.2 | Very low | 36.5 | Very low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | | | trans | -69.8 | 63 | -179.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | S873 | S873-G875 PolarHBondContact O-N 2.85Å; S873-G875 VanDerWaalsContact O-N 3.1Å |
| 876 | L | 34.6 | Very low | 36.1 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | | | trans | 77.9 | -178.5 | 167.1 | -62.7 | 171.5 | 0 | 0 | 0 | 118.7 | L874 | L874-L876 VanDerWaalsContact C-N 3.3Å; L874-L876 PolarHBondContact O-N 3.2Å |
| 877 | G | 48.8 | Very low | 35.5 | Very low | 52 Ų | 52 | 125.2 Ų | 125.2 | 54% | 0.536 | 73% | 0.731 | S | S | . | * | | | trans | -88.3 | -158.7 | -161.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 878 | N | 27.9 | Very low | 35.3 | Very low | 106 Ų | 106 | 124 Ų | 124 | 57% | 0.567 | 73% | 0.728 | S | S | * | * | | | cis | 58.5 | 150.8 | 24.7 | -174.6 | 63.8 | 0 | 0 | 0 | 113.6 | N1022 | N878-N1022 PolarHBondContact ND2-OD1 2.94Š|
| 879 | P | 30.7 | Very low | 35.3 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 61% | 0.61 | 72% | 0.72 | S | S | * | * | S | Bend | | -92.3 | -143.6 | -52.2 | 40.6 | -29.3 | 0 | 0 | 0 | 109 | A881 | P879-A881 PolarHBondContact O-N 2.97Š|
| 880 | S | 23.9 | Very low | 35.1 | Very low | 122 Ų | 122 | 121.1 Ų | 121.1 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | | | trans | -48.7 | 103.8 | 162.5 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 881 | A | 26.7 | Very low | 34.9 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | | | trans | -135.9 | 122.6 | 157.2 | 0 | 0 | 0 | 0 | 0 | 105.2 | P879 | P879-A881 PolarHBondContact O-N 2.97Š|
| 882 | Q | 24.2 | Very low | 34 | Very low | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | | | cis | 47.5 | 71.3 | 33.1 | -163.8 | 175.5 | 20 | 0 | 0 | 108.8 | | |
| 883 | L | 25.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 113.3 Ų | 113.3 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | | | | -152 | 169.1 | 53.6 | -85.3 | 147.8 | 0 | 0 | 0 | 113.9 | | |
| 884 | P | 34.4 | Very low | 32.4 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | | | trans | -76.1 | -167.5 | 171.6 | 40.6 | -41.1 | 0 | 0 | 0 | 109.9 | | |
| 885 | P | 34.4 | Very low | 31.4 | Very low | 110 Ų | 110 | 111.3 Ų | 111.3 | 71% | 0.714 | 68% | 0.675 | S | S | * | * | | | cis | -142.4 | -150.1 | 13.8 | 41.3 | -17.6 | 0 | 0 | 0 | 114.8 | | |
| 886 | S | 29.8 | Very low | 31 | Very low | 99 Ų | 99 | 110 Ų | 110 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | | | trans | 69.4 | 81.6 | 165.3 | -54.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 887 | A | 27.5 | Very low | 31.2 | Very low | 97 Ų | 97 | 103.4 Ų | 103.4 | 80% | 0.802 | 61% | 0.613 | S | S | * | * | | | | 71.8 | 171.8 | 54 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 888 | I | 29.1 | Very low | 30.6 | Very low | 146 Ų | 146 | 104.6 Ų | 104.6 | 75% | 0.749 | 61% | 0.61 | S | S | * | * | | | trans | 88.9 | 100.3 | 174.4 | -54.1 | 173.3 | 0 | 0 | 0 | 116 | | |
| 889 | N | 28.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 100 Ų | 100 | 68% | 0.684 | 59% | 0.588 | S | S | * | * | | | trans | 83.1 | 105.6 | 140.3 | -67.6 | 7 | 0 | 0 | 0 | 123.4 | | |
| 890 | N | 28.5 | Very low | 31.5 | Very low | 131 Ų | 131 | 97.4 Ų | 97.4 | 70% | 0.701 | 57% | 0.57 | S | S | * | * | | | | 93.3 | 110.1 | 116.1 | -63.6 | -5.2 | 0 | 0 | 0 | 118.2 | | |
| 891 | S | 31.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 100.6 Ų | 100.6 | 55% | 0.552 | 56% | 0.564 | S | S | * | * | | | | 74.7 | 130.8 | 63.8 | -172.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 892 | L | 30.8 | Very low | 32 | Very low | 127 Ų | 127 | 101.1 Ų | 101.1 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | | | | 175.4 | 130.9 | 108.2 | -86.4 | 173.6 | 0 | 0 | 0 | 112.9 | | |
| 893 | Q | 31.5 | Very low | 32.1 | Very low | 97 Ų | 97 | 97.3 Ų | 97.3 | 45% | 0.453 | 55% | 0.548 | S | S | . | . | | | trans | 76.3 | 155 | 136.6 | -65.8 | 168.7 | -31 | 0 | 0 | 119 | D174 | D174-Q893 WeakPolarHBondContact OD1-CA 3.31Å; D174-Q893 PolarHBondContact OD1-N 3.46Å; D174-Q893 WeakPolarHBondContact OD2-CA 3.27Å; D174-Q893 PolarHBondContact OD2-N 2.88Å |
| 894 | Y | 32.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 95.8 Ų | 95.8 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | | | cis | -141.4 | 171.9 | 33.2 | -111.2 | -78.3 | 0 | 0 | 0 | 117.5 | R954 | Y894-R954 PolarHBondContact O-NE 3.29Å; Y894-R954 VanDerWaalsContact O-NE 3.1Å; Y894-R954 PolarHBondContact O-NH2 3.4Å |
| 895 | S | 34.6 | Very low | 32 | Very low | 66 Ų | 66 | 98.9 Ų | 98.9 | 46% | 0.462 | 54% | 0.543 | S | S | . | . | | | trans | -104.6 | -176 | -175.5 | -76.9 | 0 | 0 | 0 | 0 | 115.1 | R954 | S895-R954 VanDerWaalsContact CA-CZ 3.45Å; S895-R954 PolarHBondContact OG-NH1 3.49Å; S895-R954 PolarHBondContact OG-NH2 3.11Å; S895-R954 VanDerWaalsContact OG-NH2 3.11Å |
| 896 | E | 35 | Very low | 31.5 | Very low | 53 Ų | 53 | 101.4 Ų | 101.4 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | | | trans | 164.7 | 178.2 | 134.2 | -76.6 | -22.1 | 56.7 | 0 | 0 | 112.1 | N1353 S1354 | E896-N1353 WeakPolarHBondContact OE2-CA 2.99Å; E896-S1354 WeakPolarHBondContact OE2-CA 3.39Å; E896-S1354 WeakPolarHBondContact OE2-CB 3.4Å; E896-S1354 PolarHBondContact OE2-N 2.96Å; E896-S1354 PolarHBondContact OE2-OG 2.92Å |
| 897 | T | 38.9 | Very low | 31.4 | Very low | 22 Ų | 22 | 102.8 Ų | 102.8 | 14% | 0.135 | 55% | 0.545 | C | S | . | . | | | | -166.2 | 156.1 | -74.4 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | M956 F1352 N1353 | T897-M956 WeakPolarHBondContact CA-SD 3.21Å; T897-M956 VanDerWaalsContact N-CE 3.32Å; T897-M956 PolarHBondContact N-SD 3.47Å; T897-M956 VanDerWaalsContact O-CE 3.31Å; T897-M956 WeakPolarHBondContact O-CE 3.24Å; T897-F1352 HydrophobicContact CG2-CB 3.84Å; T897-F1352 HydrophobicContact CG2-CD1 3.24Å; T897-F1352 HydrophobicContact CG2-CD2 4.39Å; T897-F1352 HydrophobicContact CG2-CE1 3.77Å; T897-F1352 HydrophobicContact CG2-CG 3.61Å; T897-N1353 WeakPolarHBondContact CB-OD1 3.44Å; T897-N1353 HydrophobicContact CG2-CB 4.42Å; T897-N1353 WeakPolarHBondContact CG2-OD1 3.49Å; T897-N1353 PolarHBondContact OG1-ND2 3.25Å; T897-N1353 PolarHBondContact OG1-OD1 3.14Å |
| 898 | V | 37.2 | Very low | 31.3 | Very low | 77 Ų | 77 | 108.5 Ų | 108.5 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | | | trans | 97 | 135.6 | 157.1 | -171.8 | 0 | 0 | 0 | 0 | 121.6 | Y1351 F1352 N1353 | V898-Y1351 HydrophobicContact CB-CE1 4.37Å; V898-Y1351 HydrophobicContact CG1-CE1 4.24Å; V898-Y1351 HydrophobicContact CG2-CE1 4.25Å; V898-F1352 VanDerWaalsContact N-CE2 3.28Å; V898-N1353 WeakPolarHBondContact CG2-OD1 3.48Å |
| 899 | G | 45.1 | Very low | 31.2 | Very low | 9 Ų | 9 | 104.7 Ų | 104.7 | 9% | 0.093 | 54% | 0.544 | C | S | . | . | | | trans | 164.1 | 101.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y1351 | G899-Y1351 WeakPolarHBondContact CA-OH 3.46Å; G899-Y1351 PolarHBondContact N-OH 3.33Å; G899-Y1351 PolarHBondContact O-OH 2.6Å |
| 900 | T | 33.1 | Very low | 31.2 | Very low | 41 Ų | 41 | 103.2 Ų | 103.2 | 25% | 0.252 | 55% | 0.55 | S | S | . | . | | | trans | -140.8 | 157.1 | -149.9 | -17.7 | 0 | 0 | 0 | 0 | 118.8 | F959 Y1351 | T900-F959 VanDerWaalsContact N-CE1 3.29Å; T900-Y1351 HydrophobicContact CG2-CD1 4.23Å; T900-Y1351 HydrophobicContact CG2-CD2 4.11Å; T900-Y1351 HydrophobicContact CG2-CE1 3.71Å; T900-Y1351 HydrophobicContact CG2-CE2 3.58Å; T900-Y1351 HydrophobicContact CG2-CG 4.43Å; T900-Y1351 PolarHBondContact N-OH 3.26Å; T900-Y1351 WeakPolarHBondContact OG1-CE1 3.38Å; T900-Y1351 PolarHBondContact OG1-OH 3.17Å |
| 901 | R | 29.3 | Very low | 31.1 | Very low | 188 Ų | 188 | 105.9 Ų | 105.9 | 71% | 0.709 | 56% | 0.555 | S | S | * | * | | | trans | 88.6 | 153 | 158.8 | -53.6 | 144.8 | -170 | -104.3 | 3 | 115.9 | | |
| 902 | T | 30.4 | Very low | 30.9 | Very low | 89 Ų | 89 | 111 Ų | 111 | 55% | 0.546 | 56% | 0.563 | S | S | . | * | | | cis | -169.3 | 153.7 | 10.8 | -3.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 903 | V | 27.8 | Very low | 30.9 | Very low | 93 Ų | 93 | 112 Ų | 112 | 56% | 0.564 | 56% | 0.564 | S | S | * | * | | | trans | 48.7 | 134.1 | 146.8 | -74 | 0 | 0 | 0 | 0 | 127.9 | | |
| 904 | D | 27.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 112.5 Ų | 112.5 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | | | | 64.2 | 157.8 | 129.9 | -51.6 | -16.3 | 0 | 0 | 0 | 127.1 | N963 | D904-N963 PolarHBondContact N-ND2 3.34Š|
| 905 | F | 29.3 | Very low | 30.7 | Very low | 174 Ų | 174 | 109.9 Ų | 109.9 | 76% | 0.763 | 59% | 0.592 | S | S | * | * | | | trans | 82.3 | 103.2 | 162.4 | -76.2 | -80.9 | 0 | 0 | 0 | 123.7 | | |
| 906 | E | 25.1 | Very low | 30.6 | Very low | 162 Ų | 162 | 110.8 Ų | 110.8 | 76% | 0.757 | 60% | 0.598 | S | S | * | * | | | | 34.2 | 126.2 | 121.3 | -58.4 | -170.7 | 148.7 | 0 | 0 | 124 | | |
| 907 | N | 26.6 | Very low | 30.5 | Very low | 128 Ų | 128 | 114.6 Ų | 114.6 | 68% | 0.684 | 63% | 0.625 | S | S | * | * | | | | 81.3 | 145.3 | 129.1 | -157.4 | 11.1 | 0 | 0 | 0 | 121 | | |
| 908 | Y | 25.3 | Very low | 30.2 | Very low | 217 Ų | 217 | 117.3 Ų | 117.3 | 85% | 0.851 | 66% | 0.657 | S | S | * | * | | | trans | 60 | 153.9 | -175.2 | -58.7 | -88 | 0 | 0 | 0 | 116 | | |
| 909 | G | 27.6 | Very low | 29.7 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 67% | 0.67 | S | S | * | * | | | cis | 167.8 | 156.6 | -10.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 910 | A | 27.1 | Very low | 28.9 | Very low | 97 Ų | 97 | 118.9 Ų | 118.9 | 80% | 0.802 | 68% | 0.681 | S | S | * | * | | | trans | 70.1 | 124.9 | 159.3 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 911 | F | 26.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 123.4 Ų | 123.4 | 82% | 0.816 | 70% | 0.695 | S | S | * | * | | | trans | 58.6 | 87.8 | 136.9 | -77.5 | -92.6 | 0 | 0 | 0 | 124.1 | | |
| 912 | R | 28.1 | Very low | 29 | Very low | 188 Ų | 188 | 121.3 Ų | 121.3 | 71% | 0.709 | 70% | 0.703 | S | S | * | * | | | | 43.1 | 124.9 | 101.3 | -71.6 | 177 | 170.1 | -98.2 | 0.1 | 121 | | |
| 913 | Q | 30.1 | Very low | 29.4 | Very low | 148 Ų | 148 | 121.4 Ų | 121.4 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | | | | 71.9 | 153.3 | 127.1 | -67.3 | 177.3 | -79.8 | 0 | 0 | 120.6 | | |
| 914 | S | 28.9 | Very low | 30 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 71% | 0.709 | S | S | * | * | | | cis | -176.8 | 135.3 | -35.7 | 49 | 0 | 0 | 0 | 0 | 109.1 | | |
| 915 | G | 31 | Very low | 30.7 | Very low | 79 Ų | 79 | 125 Ų | 125 | 81% | 0.814 | 71% | 0.711 | S | S | * | * | | | trans | -162.6 | 154.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 916 | S | 32.9 | Very low | 31.6 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | | | trans | -155.7 | 145 | -162.9 | 169.6 | 0 | 0 | 0 | 0 | 112.5 | Y741 | Y741-S916 VanDerWaalsContact OH-C 3.25Å; Y741-S916 WeakPolarHBondContact OH-CB 3.19Å; Y741-S916 PolarHBondContact OH-O 2.83Å; Y741-S916 PolarHBondContact OH-OG 3.13Å |
| 917 | V | 32.6 | Very low | 32.5 | Very low | 134 Ų | 134 | 114.4 Ų | 114.4 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | | | trans | -163 | 155.2 | 142.3 | -173.9 | 0 | 0 | 0 | 0 | 106 | | |
| 918 | G | 31.9 | Very low | 33.8 | Very low | 79 Ų | 79 | 113 Ų | 113 | 81% | 0.814 | 67% | 0.669 | S | S | * | * | | | trans | -149.9 | -175.5 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 919 | G | 27.7 | Very low | 35.5 | Very low | 72 Ų | 72 | 108.9 Ų | 108.9 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | | | trans | 159.7 | 138.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 920 | S | 28.1 | Very low | 37.3 | Very low | 46 Ų | 46 | 111.9 Ų | 111.9 | 32% | 0.322 | 65% | 0.653 | S | S | . | * | | | trans | 69.1 | 172.6 | 160.8 | -157 | 0 | 0 | 0 | 0 | 121.3 | T592 A593 S594 | T592-S920 WeakPolarHBondContact O-CB 3.5Å; T592-S920 PolarHBondContact O-OG 3.15Å; T592-S920 PolarHBondContact OG1-OG 3.47Å; A593-S920 WeakPolarHBondContact O-CB 3.36Å; A593-S920 PolarHBondContact O-OG 3.18Å; S594-S920 PolarHBondContact O-N 3.45Å |
| 921 | Y | 30.6 | Very low | 38.8 | Very low | 136 Ų | 136 | 115 Ų | 115 | 53% | 0.533 | 64% | 0.644 | S | S | . | * | | | trans | 64.6 | 85.6 | 178.4 | -63.4 | -97.3 | 0 | 0 | 0 | 117.8 | S591 T592 | S591-Y921 WeakPolarHBondContact CA-OH 3.41Å; S591-Y921 WeakPolarHBondContact CB-OH 3.42Å; S591-Y921 PolarHBondContact N-OH 3.41Å; S591-Y921 PolarHBondContact O-OH 2.75Å; S591-Y921 VanDerWaalsContact O-OH 3.11Å; T592-Y921 WeakPolarHBondContact OG1-CD1 3.31Å; T592-Y921 WeakPolarHBondContact OG1-CE1 3.38Å; T592-Y921 VanDerWaalsContact OG1-CE2 3.28Å; T592-Y921 WeakPolarHBondContact OG1-CE2 3.3Å; T592-Y921 PolarHBondContact OG1-OH 2.68Å |
| 922 | V | 34.4 | Very low | 40.9 | Very low | 145 Ų | 145 | 110 Ų | 110 | 88% | 0.879 | 63% | 0.627 | S | S | * | * | | | trans | -81.1 | 128.2 | 149.2 | 179.6 | 0 | 0 | 0 | 0 | 107.8 | N924 | V922-N924 PolarHBondContact O-N 3.02Š|
| 923 | N | 38.9 | Very low | 43 | Very low | 90 Ų | 90 | 109.5 Ų | 109.5 | 48% | 0.481 | 63% | 0.625 | S | S | . | * | | | trans | -68.1 | 124.9 | -170.9 | -82.6 | -32.6 | 0 | 0 | 0 | 113.5 | E925 S926 A927 | N923-E925 PolarHBondContact O-N 3.36Å; N923-S926 PolarHBondContact O-N 3.46Å; N923-A927 PolarHBondContact O-N 2.92Å; N923-A927 VanDerWaalsContact O-N 3.13Å |
| 924 | N | 38.8 | Very low | 44.7 | Very low | 144 Ų | 144 | 107.3 Ų | 107.3 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -58.8 | -26.5 | 163.1 | -100.2 | -14.6 | 0 | 0 | 0 | 111.8 | V922 Q928 | V922-N924 PolarHBondContact O-N 3.02Å; N924-Q928 WeakPolarHBondContact O-CB 3.48Å; N924-Q928 PolarHBondContact O-N 2.83Å |
| 925 | E | 43.2 | Very low | 46.3 | Very low | 141 Ų | 141 | 104.4 Ų | 104.4 | 66% | 0.659 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.4 | -30.5 | 172.5 | -72.1 | -174.3 | 110.5 | 0 | 0 | 113.2 | N923 Q929 | N923-E925 PolarHBondContact O-N 3.36Å; E925-Q929 VanDerWaalsContact O-CB 3.22Å; E925-Q929 WeakPolarHBondContact O-CB 3.49Å; E925-Q929 WeakPolarHBondContact O-CG 3.2Å; E925-Q929 PolarHBondContact O-N 3.11Å |
| 926 | S | 47.7 | Very low | 47.9 | Very low | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.1 | -43.7 | 172.7 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | N923 Q928 Q929 E930 | N923-S926 PolarHBondContact O-N 3.46Å; S926-Q928 VanDerWaalsContact C-N 3.34Å; S926-Q928 PolarHBondContact O-N 3.41Å; S926-Q929 PolarHBondContact O-N 3.24Å; S926-E930 VanDerWaalsContact O-CB 3.29Å; S926-E930 WeakPolarHBondContact O-CB 3.22Å; S926-E930 PolarHBondContact O-N 3.36Å |
| 927 | A | 44.7 | Very low | 49.5 | Very low | 49 Ų | 49 | 103.2 Ų | 103.2 | 41% | 0.405 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64 | -37.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N923 W931 | N923-A927 PolarHBondContact O-N 2.92Å; N923-A927 VanDerWaalsContact O-N 3.13Å; A927-W931 WeakPolarHBondContact O-CB 3.18Å; A927-W931 PolarHBondContact O-N 3.11Å |
| 928 | Q | 52.8 | Low | 50.4 | Low | 98 Ų | 98 | 104.2 Ų | 104.2 | 46% | 0.458 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -75.4 | -35.3 | 175.8 | -172.1 | 64.5 | 54.3 | 0 | 0 | 112 | N924 S926 E930 W931 D932 | N924-Q928 WeakPolarHBondContact O-CB 3.48Å; N924-Q928 PolarHBondContact O-N 2.83Å; S926-Q928 VanDerWaalsContact C-N 3.34Å; S926-Q928 PolarHBondContact O-N 3.41Å; Q928-E930 VanDerWaalsContact C-N 3.32Å; Q928-W931 CarbonylContact O-C 3.53Å; Q928-W931 PolarHBondContact O-N 2.92Å; Q928-D932 PolarHBondContact NE2-OD1 2.85Å; Q928-D932 VanDerWaalsContact O-CB 3.23Å; Q928-D932 WeakPolarHBondContact O-CB 3.33Å; Q928-D932 PolarHBondContact O-N 3.06Å |
| 929 | Q | 62.7 | Low | 51.4 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 62% | 0.617 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.9 | -33.7 | 170.8 | -77.8 | 177.4 | 16.9 | 0 | 0 | 111.7 | E925 S926 R933 | E925-Q929 VanDerWaalsContact O-CB 3.22Å; E925-Q929 WeakPolarHBondContact O-CB 3.49Å; E925-Q929 WeakPolarHBondContact O-CG 3.2Å; E925-Q929 PolarHBondContact O-N 3.11Å; S926-Q929 PolarHBondContact O-N 3.24Å; Q929-R933 WeakPolarHBondContact O-CB 3.37Å; Q929-R933 PolarHBondContact O-N 2.68Å |
| 930 | E | 63.5 | Low | 52.7 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -70.5 | -38.6 | 172.5 | -168.2 | 161.8 | -131.3 | 0 | 0 | 111.2 | S926 Q928 L934 | S926-E930 VanDerWaalsContact O-CB 3.29Å; S926-E930 WeakPolarHBondContact O-CB 3.22Å; S926-E930 PolarHBondContact O-N 3.36Å; Q928-E930 VanDerWaalsContact C-N 3.32Å; E930-L934 HydrophobicContact CG-CD1 4.22Å; E930-L934 VanDerWaalsContact O-CB 3.25Å; E930-L934 WeakPolarHBondContact O-CB 3.39Å; E930-L934 WeakPolarHBondContact O-CD1 3.38Å; E930-L934 WeakPolarHBondContact O-CG 3.28Å; E930-L934 PolarHBondContact O-N 3.02Å |
| 931 | W | 59.2 | Low | 53.5 | Low | 163 Ų | 163 | 114.3 Ų | 114.3 | 62% | 0.617 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67 | -40.2 | 169.9 | -126.3 | 142.6 | 0 | 0 | 0 | 112.6 | A927 Q928 R933 L934 C935 | A927-W931 WeakPolarHBondContact O-CB 3.18Å; A927-W931 PolarHBondContact O-N 3.11Å; Q928-W931 CarbonylContact O-C 3.53Å; Q928-W931 PolarHBondContact O-N 2.92Å; W931-R933 VanDerWaalsContact C-N 3.33Å; W931-L934 HydrophobicContact CE3-CB 4.3Å; W931-L934 PolarHBondContact O-N 3.34Å; W931-C935 VanDerWaalsContact CZ3-SG 3.59Å; W931-C935 WeakPolarHBondContact O-CB 3.49Å; W931-C935 PolarHBondContact O-N 3.36Å; W931-C935 PolarHBondContact O-SG 2.82Å |
| 932 | D | 70.2 | Confident | 54.3 | Low | 82 Ų | 82 | 114.5 Ų | 114.5 | 44% | 0.439 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.9 | -32.6 | 179 | -72.7 | -11.3 | 0 | 0 | 0 | 110.5 | Q928 S936 | Q928-D932 PolarHBondContact NE2-OD1 2.85Å; Q928-D932 VanDerWaalsContact O-CB 3.23Å; Q928-D932 WeakPolarHBondContact O-CB 3.33Å; Q928-D932 PolarHBondContact O-N 3.06Å; D932-S936 VanDerWaalsContact O-CB 3.24Å; D932-S936 WeakPolarHBondContact O-CB 3.46Å; D932-S936 PolarHBondContact O-N 3.36Å; D932-S936 PolarHBondContact O-OG 3.27Å |
| 933 | R | 73.3 | Confident | 54.4 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.668 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.9 | -51.3 | 168.6 | -178.7 | 175.3 | -177.1 | 172.4 | 1.6 | 111 | Q929 W931 C935 S936 D937 | Q929-R933 WeakPolarHBondContact O-CB 3.37Å; Q929-R933 PolarHBondContact O-N 2.68Å; W931-R933 VanDerWaalsContact C-N 3.33Å; R933-C935 VanDerWaalsContact C-N 3.28Å; R933-C935 PolarHBondContact O-N 2.84Å; R933-S936 CarbonylContact O-C 3.59Å; R933-S936 WeakPolarHBondContact O-CA 3.03Å; R933-S936 WeakPolarHBondContact O-CB 2.9Å; R933-S936 PolarHBondContact O-N 2.8Å; R933-D937 WeakPolarHBondContact CG-OD2 3.2Å; R933-D937 IonicContact NE-OD2 3.25Å; R933-D937 WeakPolarHBondContact O-CB 3.22Å; R933-D937 VanDerWaalsContact O-CG 3.28Å; R933-D937 PolarHBondContact O-N 2.72Å |
| 934 | L | 65.7 | Low | 54.3 | Low | 101 Ų | 101 | 113.7 Ų | 113.7 | 53% | 0.529 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.4 | -34.5 | 175.5 | -73.8 | 167 | 0 | 0 | 0 | 112.1 | E930 W931 Y938 | E930-L934 HydrophobicContact CG-CD1 4.22Å; E930-L934 VanDerWaalsContact O-CB 3.25Å; E930-L934 WeakPolarHBondContact O-CB 3.39Å; E930-L934 WeakPolarHBondContact O-CD1 3.38Å; E930-L934 WeakPolarHBondContact O-CG 3.28Å; E930-L934 PolarHBondContact O-N 3.02Å; W931-L934 HydrophobicContact CE3-CB 4.3Å; W931-L934 PolarHBondContact O-N 3.34Å; L934-Y938 WeakPolarHBondContact O-CB 3.31Å; L934-Y938 PolarHBondContact O-N 2.79Å |
| 935 | C | 62.3 | Low | 54 | Low | 47 Ų | 47 | 112.7 Ų | 112.7 | 32% | 0.318 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69 | -39.3 | 170.9 | -79 | 0 | 0 | 0 | 0 | 111.9 | W931 R933 Q939 | W931-C935 VanDerWaalsContact CZ3-SG 3.59Å; W931-C935 WeakPolarHBondContact O-CB 3.49Å; W931-C935 PolarHBondContact O-N 3.36Å; W931-C935 PolarHBondContact O-SG 2.82Å; R933-C935 VanDerWaalsContact C-N 3.28Å; R933-C935 PolarHBondContact O-N 2.84Å; C935-Q939 WeakPolarHBondContact O-CB 3.44Å; C935-Q939 VanDerWaalsContact O-CG 3.29Å; C935-Q939 WeakPolarHBondContact O-CG 3.37Å; C935-Q939 PolarHBondContact O-N 3.41Å |
| 936 | S | 64.3 | Low | 53.4 | Low | 61 Ų | 61 | 110.2 Ų | 110.2 | 43% | 0.427 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.1 | -39.7 | 175.8 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | D932 R933 Q939 R940 | D932-S936 VanDerWaalsContact O-CB 3.24Å; D932-S936 WeakPolarHBondContact O-CB 3.46Å; D932-S936 PolarHBondContact O-N 3.36Å; D932-S936 PolarHBondContact O-OG 3.27Å; R933-S936 CarbonylContact O-C 3.59Å; R933-S936 WeakPolarHBondContact O-CA 3.03Å; R933-S936 WeakPolarHBondContact O-CB 2.9Å; R933-S936 PolarHBondContact O-N 2.8Å; S936-Q939 PolarHBondContact O-N 3.29Å; S936-R940 WeakPolarHBondContact O-CB 3.18Å; S936-R940 VanDerWaalsContact O-CG 3.24Å; S936-R940 WeakPolarHBondContact O-CG 3.2Å; S936-R940 PolarHBondContact O-N 3.31Å |
| 937 | D | 66.9 | Low | 52.6 | Low | 78 Ų | 78 | 115 Ų | 115 | 42% | 0.417 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.5 | -35.7 | 178.2 | -66.5 | -25 | 0 | 0 | 0 | 110.7 | R933 R940 G941 | R933-D937 WeakPolarHBondContact CG-OD2 3.2Å; R933-D937 IonicContact NE-OD2 3.25Å; R933-D937 WeakPolarHBondContact O-CB 3.22Å; R933-D937 VanDerWaalsContact O-CG 3.28Å; R933-D937 PolarHBondContact O-N 2.72Å; D937-R940 PolarHBondContact O-N 3.07Å; D937-G941 PolarHBondContact O-N 3.38Å |
| 938 | Y | 51.1 | Low | 52 | Low | 155 Ų | 155 | 119 Ų | 119 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.4 | -22.8 | 170.9 | -170.3 | -104.3 | 0 | 0 | 0 | 113.7 | L934 K942 | L934-Y938 WeakPolarHBondContact O-CB 3.31Å; L934-Y938 PolarHBondContact O-N 2.79Å; Y938-K942 HydrophobicContact CE1-CD 4.35Å; Y938-K942 VanDerWaalsContact CE1-CE 3.48Å; Y938-K942 WeakPolarHBondContact O-CG 3.45Å; Y938-K942 PolarHBondContact OH-NZ 2.83Å |
| 939 | Q | 52.6 | Low | 50.9 | Low | 151 Ų | 151 | 124.5 Ų | 124.5 | 71% | 0.706 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -83.5 | -35.9 | 168.9 | -75.5 | -176.5 | 29.5 | 0 | 0 | 112.2 | C935 S936 G941 K942 | C935-Q939 WeakPolarHBondContact O-CB 3.44Å; C935-Q939 VanDerWaalsContact O-CG 3.29Å; C935-Q939 WeakPolarHBondContact O-CG 3.37Å; C935-Q939 PolarHBondContact O-N 3.41Å; S936-Q939 PolarHBondContact O-N 3.29Å; Q939-G941 VanDerWaalsContact C-N 3.34Å; Q939-K942 PolarHBondContact O-N 3.07Å |
| 940 | R | 56.2 | Low | 49.1 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 73% | 0.728 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.6 | -36.9 | 170 | -77.2 | 168.8 | 171.6 | -100.6 | 0.2 | 111.9 | S936 D937 K942 S943 | S936-R940 WeakPolarHBondContact O-CB 3.18Å; S936-R940 VanDerWaalsContact O-CG 3.24Å; S936-R940 WeakPolarHBondContact O-CG 3.2Å; S936-R940 PolarHBondContact O-N 3.31Å; D937-R940 PolarHBondContact O-N 3.07Å; R940-K942 PolarHBondContact O-N 2.74Å; R940-K942 VanDerWaalsContact O-N 3.12Å; R940-S943 PolarHBondContact O-OG 3.11Å |
| 941 | G | 45.3 | Very low | 47.5 | Very low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 12.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | D937 Q939 | D937-G941 PolarHBondContact O-N 3.38Å; Q939-G941 VanDerWaalsContact C-N 3.34Å |
| 942 | K | 46.1 | Very low | 46.1 | Very low | 140 Ų | 140 | 121.8 Ų | 121.8 | 61% | 0.609 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 19.7 | -179.3 | -73.8 | -169.7 | 179.9 | -167.6 | 0 | 114.8 | Y938 Q939 R940 | Y938-K942 HydrophobicContact CE1-CD 4.35Å; Y938-K942 VanDerWaalsContact CE1-CE 3.48Å; Y938-K942 WeakPolarHBondContact O-CG 3.45Å; Y938-K942 PolarHBondContact OH-NZ 2.83Å; Q939-K942 PolarHBondContact O-N 3.07Å; R940-K942 PolarHBondContact O-N 2.74Å; R940-K942 VanDerWaalsContact O-N 3.12Å |
| 943 | S | 37.9 | Very low | 44.5 | Very low | 86 Ų | 86 | 122.5 Ų | 122.5 | 60% | 0.601 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -120.1 | 115.7 | 173 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | R940 | R940-S943 PolarHBondContact O-OG 3.11Š|
| 944 | D | 35.5 | Very low | 42.4 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | | | trans | 47.8 | 112 | 167.4 | -77.4 | -60.9 | 0 | 0 | 0 | 120.3 | S946 | D944-S946 PolarHBondContact O-N 2.84Š|
| 945 | P | 32.9 | Very low | 41 | Very low | 124 Ų | 124 | 119.5 Ų | 119.5 | 81% | 0.805 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -84.1 | 55.6 | 170.5 | 37.2 | -35.6 | 0 | 0 | 0 | 112 | | |
| 946 | S | 30.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 62% | 0.615 | 63% | 0.633 | S | S | * | * | | | trans | -153.1 | 139.6 | 168.3 | 78.3 | 0 | 0 | 0 | 0 | 112.3 | D944 | D944-S946 PolarHBondContact O-N 2.84Š|
| 947 | M | 30.6 | Very low | 37.7 | Very low | 166 Ų | 166 | 123.2 Ų | 123.2 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | | | trans | 64.6 | 143.6 | -170.5 | -62 | -167.6 | 154.1 | 0 | 0 | 114.7 | | |
| 948 | M | 31.5 | Very low | 36 | Very low | 133 Ų | 133 | 126 Ų | 126 | 66% | 0.655 | 66% | 0.657 | S | S | * | * | | | cis | -151.1 | 141.5 | -9.3 | -123.1 | -166 | -62.3 | 0 | 0 | 111.9 | | |
| 949 | R | 30.5 | Very low | 35 | Very low | 213 Ų | 213 | 126.6 Ų | 126.6 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | | | trans | 39.3 | 127.2 | 142 | -65.4 | 172.1 | -173.3 | -145.7 | -2.6 | 119.7 | S951 | R949-S951 PolarHBondContact O-N 3.38Š|
| 950 | Y | 25.4 | Very low | 34.1 | Very low | 220 Ų | 220 | 123.2 Ų | 123.2 | 86% | 0.863 | 65% | 0.65 | S | S | * | * | | | trans | -40.6 | 134.3 | 151.5 | -86.6 | -102.9 | 0 | 0 | 0 | 111.8 | | |
| 951 | S | 28.7 | Very low | 32.9 | Very low | 103 Ų | 103 | 120.1 Ų | 120.1 | 72% | 0.72 | 65% | 0.646 | S | S | * | * | | | trans | -146.1 | 102.7 | 160.2 | -75.2 | 0 | 0 | 0 | 0 | 108.4 | R949 | R949-S951 PolarHBondContact O-N 3.38Š|
| 952 | G | 30.4 | Very low | 32.2 | Very low | 43 Ų | 43 | 119.4 Ų | 119.4 | 44% | 0.443 | 63% | 0.632 | S | S | . | * | | | trans | -65.9 | 166.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 953 | P | 37.6 | Very low | 31.4 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | | | trans | -100.4 | 159.5 | -145.7 | 36.9 | -35.7 | 0 | 0 | 0 | 113.9 | Q173 | Q173-P953 PolarHBondContact NE2-O 2.96Å; Q173-P953 PolarHBondContact OE1-O 2.85Å |
| 954 | R | 29.2 | Very low | 31.2 | Very low | 93 Ų | 93 | 119.4 Ų | 119.4 | 35% | 0.351 | 64% | 0.639 | S | S | . | * | | | trans | -126.4 | 148.5 | 152 | -79.7 | -159.2 | 166.2 | -72.6 | -7.2 | 112.1 | Q173 Y894 S895 | Q173-R954 VanDerWaalsContact OE1-NH1 3.11Å; Y894-R954 PolarHBondContact O-NE 3.29Å; Y894-R954 VanDerWaalsContact O-NE 3.1Å; Y894-R954 PolarHBondContact O-NH2 3.4Å; S895-R954 VanDerWaalsContact CA-CZ 3.45Å; S895-R954 PolarHBondContact OG-NH1 3.49Å; S895-R954 PolarHBondContact OG-NH2 3.11Å; S895-R954 VanDerWaalsContact OG-NH2 3.11Å |
| 955 | Q | 35 | Very low | 30.8 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | | | trans | -75.6 | 165.9 | -171.4 | -56.8 | 156.2 | -18.2 | 0 | 0 | 111 | | |
| 956 | M | 27.8 | Very low | 31 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 56% | 0.562 | 65% | 0.645 | S | S | * | * | | | | 174.6 | 159.8 | 102.2 | -92 | -148.2 | -65.7 | 0 | 0 | 114 | T897 | T897-M956 WeakPolarHBondContact CA-SD 3.21Å; T897-M956 VanDerWaalsContact N-CE 3.32Å; T897-M956 PolarHBondContact N-SD 3.47Å; T897-M956 VanDerWaalsContact O-CE 3.31Å; T897-M956 WeakPolarHBondContact O-CE 3.24Å |
| 957 | G | 30.2 | Very low | 30.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 65% | 0.645 | S | S | * | * | | | trans | 143.3 | 45.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 958 | F | 30.9 | Very low | 30.9 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 61% | 0.605 | 64% | 0.642 | S | S | * | * | | | trans | -73 | 145 | 171.5 | -86.4 | -91.4 | 0 | 0 | 0 | 111.5 | | |
| 959 | F | 30.9 | Very low | 31 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | | | trans | -135.1 | 144.3 | 131.3 | -97.8 | -81.1 | 0 | 0 | 0 | 109.3 | T900 | T900-F959 VanDerWaalsContact N-CE1 3.29Š|
| 960 | D | 32.3 | Very low | 30.8 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 43% | 0.428 | 65% | 0.653 | S | S | . | * | | | trans | -144 | 129.8 | -165.6 | 169.3 | 31.7 | 0 | 0 | 0 | 108.7 | S962 | D960-S962 PolarHBondContact OD1-N 2.68Š|
| 961 | I | 32.4 | Very low | 30.8 | Very low | 127 Ų | 127 | 111.3 Ų | 111.3 | 65% | 0.651 | 64% | 0.64 | S | S | * | * | | | trans | -145.7 | 97.6 | 163.3 | -88.2 | 154.7 | 0 | 0 | 0 | 103.4 | | |
| 962 | S | 29 | Very low | 30.8 | Very low | 51 Ų | 51 | 113.9 Ų | 113.9 | 36% | 0.357 | 65% | 0.646 | S | S | . | * | | | | 68.6 | 108.5 | 60.7 | 85.6 | 0 | 0 | 0 | 0 | 113.5 | D960 | D960-S962 PolarHBondContact OD1-N 2.68Š|
| 963 | N | 29.4 | Very low | 30.5 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | | | | 173.1 | 108.3 | 112.5 | -80.5 | -31.3 | 0 | 0 | 0 | 111.4 | D904 | D904-N963 PolarHBondContact N-ND2 3.34Š|
| 964 | C | 33.5 | Very low | 30 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 82% | 0.824 | 66% | 0.661 | S | S | * | * | | | trans | -75.8 | 163.4 | 157.5 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 965 | P | 27.6 | Very low | 29.7 | Very low | 114 Ų | 114 | 119.6 Ų | 119.6 | 74% | 0.74 | 68% | 0.683 | S | S | * | * | | | | -134.4 | 138.7 | 115.6 | 36.4 | -28.6 | 0 | 0 | 0 | 113.1 | P967 | P965-P967 WeakPolarHBondContact O-CD 3.39Š|
| 966 | V | 37.6 | Very low | 29.1 | Very low | 145 Ų | 145 | 121.7 Ų | 121.7 | 88% | 0.879 | 69% | 0.692 | S | S | * | * | | | trans | -96.2 | 113 | 157.8 | 175.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 967 | P | 28.6 | Very low | 29 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | | | trans | -139.3 | 160.5 | 153 | 38.7 | -25.5 | 0 | 0 | 0 | 113 | P965 | P965-P967 WeakPolarHBondContact O-CD 3.39Š|
| 968 | P | 29.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 123.9 Ų | 123.9 | 75% | 0.753 | 70% | 0.704 | S | S | * | * | | | cis | -129 | 169.4 | -33.3 | 38.5 | -24.8 | 0 | 0 | 0 | 112.1 | | |
| 969 | H | 34.2 | Very low | 28.9 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 88% | 0.875 | 71% | 0.713 | S | S | * | * | | | trans | -75.9 | 137.9 | 157.4 | -143.8 | -73.8 | 0 | 0 | 0 | 108.3 | | |
| 970 | E | 25.9 | Very low | 28.9 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | | | trans | 177.5 | 162.4 | 156 | -95.1 | -82.2 | 111.4 | 0 | 0 | 109.2 | | |
| 971 | A | 25.7 | Very low | 28.8 | Very low | 73 Ų | 73 | 121.5 Ų | 121.5 | 60% | 0.603 | 71% | 0.713 | S | S | * | * | | | trans | 16 | 114.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 972 | N | 30.3 | Very low | 28.6 | Very low | 156 Ų | 156 | 121.8 Ų | 121.8 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | | | cis | 44.2 | 77.1 | 38.3 | -171.4 | 20 | 0 | 0 | 0 | 114.9 | | |
| 973 | L | 23.7 | Very low | 28.8 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 81% | 0.812 | 73% | 0.728 | S | S | * | * | | | trans | -151.2 | 126.8 | 146.5 | -83.6 | 171.2 | 0 | 0 | 0 | 105.3 | | |
| 974 | S | 26.1 | Very low | 29 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | | | | 82.3 | 79.1 | 50.8 | -175.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 975 | S | 23.4 | Very low | 29 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | | | trans | -150.4 | 98.6 | 155.1 | 55.6 | 0 | 0 | 0 | 0 | 106.7 | | |
| 976 | Q | 23.2 | Very low | 29.2 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | cis | 67.7 | 121.5 | 42.4 | -154.7 | 175.5 | 65 | 0 | 0 | 112.1 | | |
| 977 | C | 24.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | | | trans | 70.4 | 153.5 | -177.6 | -58.4 | 0 | 0 | 0 | 0 | 116.7 | | |
| 978 | P | 27.4 | Very low | 28.8 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | | | cis | -125.1 | 165.1 | -14.9 | 38.5 | -23.8 | 0 | 0 | 0 | 114.7 | P980 | P978-P980 WeakPolarHBondContact O-CD 3.43Š|
| 979 | I | 32.3 | Very low | 29.4 | Very low | 156 Ų | 156 | 121.7 Ų | 121.7 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | | | trans | -73.9 | 131.9 | 166.5 | -64.1 | 162.8 | 0 | 0 | 0 | 109.9 | P981 | I979-P981 HydrophobicContact CG2-CB 4.11Š|
| 980 | P | 30.7 | Very low | 29.6 | Very low | 99 Ų | 99 | 118.1 Ų | 118.1 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | | -124.3 | 162.4 | 129.5 | 35.2 | -27.4 | 0 | 0 | 0 | 111.7 | P978 | P978-P980 WeakPolarHBondContact O-CD 3.43Š|
| 981 | P | 30.6 | Very low | 29.9 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 52% | 0.519 | 68% | 0.683 | S | S | . | * | | | trans | -132.6 | -161 | -139 | 30 | -6.7 | 0 | 0 | 0 | 115.7 | Q485 I979 | Q485-P981 PolarHBondContact NE2-O 3.05Å; I979-P981 HydrophobicContact CG2-CB 4.11Å |
| 982 | M | 26.7 | Very low | 30.1 | Very low | 132 Ų | 132 | 118.7 Ų | 118.7 | 65% | 0.65 | 69% | 0.692 | S | S | * | * | | | trans | 93 | 139.6 | 150.6 | -58.4 | -135.7 | -67.6 | 0 | 0 | 121.1 | N484 Q485 | N484-M982 PolarHBondContact ND2-N 2.68Å; N484-M982 VanDerWaalsContact ND2-N 3.13Å; N484-M982 PolarHBondContact ND2-O 3.28Å; Q485-M982 PolarHBondContact NE2-O 2.83Å |
| 983 | V | 33.2 | Very low | 30 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 66% | 0.661 | 69% | 0.689 | S | S | * | * | | | trans | 72.9 | 129.6 | 143 | 163.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 984 | T | 35.4 | Very low | 30.2 | Very low | 110 Ų | 110 | 116.9 Ų | 116.9 | 68% | 0.675 | 68% | 0.681 | S | S | * | * | | | cis | -161.6 | 151.4 | -18.6 | -82.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 985 | G | 33.2 | Very low | 30.2 | Very low | 58 Ų | 58 | 119.8 Ų | 119.8 | 60% | 0.598 | 69% | 0.687 | S | S | * | * | | | trans | -165 | -26.9 | -177 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 986 | T | 32.1 | Very low | 30.5 | Very low | 106 Ų | 106 | 120.8 Ų | 120.8 | 65% | 0.65 | 68% | 0.682 | S | S | * | * | | | trans | 40.1 | 123.5 | 152.7 | 40.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 987 | M | 28.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 118 Ų | 118 | 60% | 0.596 | 68% | 0.677 | S | S | * | * | | | cis | -159.3 | 159.9 | 21.9 | -65.1 | -155.6 | -76.7 | 0 | 0 | 114.8 | T479 | T479-M987 WeakPolarHBondContact CB-O 3.41Å; T479-M987 WeakPolarHBondContact CG2-O 3.38Å; T479-M987 PolarHBondContact OG1-O 3.34Å |
| 988 | M | 27.9 | Very low | 30.9 | Very low | 128 Ų | 128 | 118 Ų | 118 | 63% | 0.631 | 67% | 0.669 | S | S | * | * | | | trans | 35.3 | 136.3 | 141.5 | -53.1 | 179.2 | -50.3 | 0 | 0 | 120.8 | T479 | T479-M988 PolarHBondContact OG1-O 3.18Š|
| 989 | L | 42.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 59% | 0.586 | 66% | 0.663 | S | S | * | * | | | | 58.5 | 144 | 53.9 | -74.2 | 172.9 | 0 | 0 | 0 | 114.7 | | |
| 990 | P | 37.9 | Very low | 30.7 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 74% | 0.74 | 66% | 0.656 | S | S | * | * | | | cis | -113.7 | 175.1 | 32.5 | 13.1 | 12.6 | 0 | 0 | 0 | 114.2 | | |
| 991 | S | 32.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | | | cis | 68.1 | 142.8 | 48.3 | -33.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 992 | E | 29.9 | Very low | 30.4 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | | | cis | -128.8 | 151.9 | 9.4 | -72.7 | 179.6 | 151.9 | 0 | 0 | 109.4 | | |
| 993 | Q | 28.7 | Very low | 30.4 | Very low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | | | | 71.1 | 155.6 | 53.7 | -143.5 | -167.7 | 83.1 | 0 | 0 | 113.5 | | |
| 994 | V | 27.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 125.6 Ų | 125.6 | 63% | 0.63 | 70% | 0.7 | S | S | * | * | | | trans | 71.4 | 134 | 162.9 | 169.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 995 | M | 26.4 | Very low | 30.3 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 72% | 0.719 | 71% | 0.708 | S | S | * | * | | | cis | -155.1 | 138.6 | -15.9 | -107.1 | -159 | -69.8 | 0 | 0 | 107.2 | | |
| 996 | L | 29.7 | Very low | 30.1 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 70% | 0.702 | 71% | 0.71 | S | S | * | * | | | | 84.5 | 144.2 | 69.4 | -160.1 | 107.9 | 0 | 0 | 0 | 112.7 | | |
| 997 | T | 28.8 | Very low | 29.8 | Very low | 109 Ų | 109 | 132.3 Ų | 132.3 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | trans | 65.2 | 158.3 | 164.5 | 40.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 998 | D | 27.5 | Very low | 30 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | cis | -153.8 | 163.9 | 8.3 | -124.2 | -5.2 | 0 | 0 | 0 | 107.1 | | |
| 999 | Q | 27.8 | Very low | 30.1 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 60% | 0.603 | 74% | 0.737 | S | S | * | * | | | cis | 179.1 | -164.9 | -7.3 | -144.4 | -177.9 | 90.3 | 0 | 0 | 105.4 | | |
| 1000 | Q | 28 | Very low | 29.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 66% | 0.664 | 74% | 0.742 | S | S | * | * | | | trans | 63.1 | 94.2 | 149.3 | -73.9 | 161.2 | 40.3 | 0 | 0 | 118.3 | | |
| 1001 | T | 25.5 | Very low | 29.6 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | | 82.2 | 119 | 71.9 | 59.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1002 | C | 28.2 | Very low | 29.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 91% | 0.912 | 74% | 0.738 | S | S | * | * | | | trans | -149.7 | 148.9 | 149.1 | -102.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1003 | Q | 28.2 | Very low | 29.9 | Very low | 193 Ų | 193 | 130.5 Ų | 130.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 146.7 | -172.5 | -62.7 | 173.3 | -57.6 | 0 | 0 | 112.6 | | |
| 1004 | P | 31.7 | Very low | 29.9 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 141.2 | 172.2 | 33.7 | -32.9 | 0 | 0 | 0 | 112.7 | | |
| 1005 | P | 35 | Very low | 30.1 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 166.4 | 175.3 | 34.6 | -34.9 | 0 | 0 | 0 | 114 | | |
| 1006 | A | 27.3 | Very low | 30.4 | Very low | 77 Ų | 77 | 129.4 Ų | 129.4 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | | | trans | -98.3 | -176 | -164 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1007 | Y | 27.6 | Very low | 30.5 | Very low | 208 Ų | 208 | 128 Ų | 128 | 82% | 0.816 | 74% | 0.742 | S | S | * | * | | | trans | 77.5 | 147.3 | 166.2 | -54.8 | -68.2 | 0 | 0 | 0 | 116.8 | | |
| 1008 | Q | 30.8 | Very low | 30.8 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | cis | -152.6 | 175.7 | -11.8 | -137.2 | 160.9 | 12.6 | 0 | 0 | 112.8 | | |
| 1009 | S | 30.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | -61.8 | 148.6 | -172.3 | 51.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1010 | G | 36 | Very low | 30.9 | Very low | 68 Ų | 68 | 130.1 Ų | 130.1 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | trans | -157.4 | 144.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1011 | P | 33.9 | Very low | 30.9 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | | | trans | -87.9 | 157.5 | -169.6 | 34.8 | -36.3 | 0 | 0 | 0 | 114.3 | M2045 | P1011-M2045 HydrophobicContact CB-CE 4.38Š|
| 1012 | P | 33.2 | Very low | 30.9 | Very low | 95 Ų | 95 | 125 Ų | 125 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | | | trans | -73.1 | 133.5 | 171.4 | 30.9 | -33.9 | 0 | 0 | 0 | 111.4 | V1014 | P1012-V1014 PolarHBondContact O-N 2.92Š|
| 1013 | V | 34.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 125.4 Ų | 125.4 | 86% | 0.861 | 73% | 0.73 | S | S | * | * | | | trans | -80.5 | 103.7 | 171.3 | 178 | 0 | 0 | 0 | 0 | 109.1 | M1015 | V1013-M1015 PolarHBondContact O-N 2.97Š|
| 1014 | V | 30.6 | Very low | 30.8 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 65% | 0.648 | 72% | 0.719 | S | S | * | * | | | trans | -75.9 | 115.7 | 172.3 | -172.7 | 0 | 0 | 0 | 0 | 108.8 | P1012 V1016 | P1012-V1014 PolarHBondContact O-N 2.92Å; V1014-V1016 VanDerWaalsContact C-N 3.28Å; V1014-V1016 HydrophobicContact CB-CG2 4.12Å; V1014-V1016 HydrophobicContact CG1-CG2 3.64Å; V1014-V1016 PolarHBondContact O-N 3.27Å |
| 1015 | M | 31.8 | Very low | 30.6 | Very low | 186 Ų | 186 | 121 Ų | 121 | 92% | 0.916 | 72% | 0.723 | S | S | * | * | | | trans | -78.1 | 87.2 | 161.9 | -111.4 | -167.7 | -69.5 | 0 | 0 | 108.7 | V1013 | V1013-M1015 PolarHBondContact O-N 2.97Š|
| 1016 | V | 31.1 | Very low | 30.4 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 62% | 0.618 | 72% | 0.72 | S | S | * | * | | | trans | -64.7 | 126.8 | 176.6 | 174.4 | 0 | 0 | 0 | 0 | 109.2 | V1014 | V1014-V1016 VanDerWaalsContact C-N 3.28Å; V1014-V1016 HydrophobicContact CB-CG2 4.12Å; V1014-V1016 HydrophobicContact CG1-CG2 3.64Å; V1014-V1016 PolarHBondContact O-N 3.27Å |
| 1017 | P | 32.8 | Very low | 30.3 | Very low | 104 Ų | 104 | 122.4 Ų | 122.4 | 68% | 0.675 | 73% | 0.73 | S | S | * | * | | | trans | -65.6 | 128.2 | 164.9 | 28.5 | -32.1 | 0 | 0 | 0 | 108 | N1019 | P1017-N1019 PolarHBondContact O-N 3.09Š|
| 1018 | P | 34.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 117 Ų | 117 | 86% | 0.864 | 72% | 0.721 | S | S | * | * | | | trans | -72.9 | 78 | -174.4 | 29.6 | -35.6 | 0 | 0 | 0 | 111.6 | N1020 | P1018-N1020 PolarHBondContact O-N 3.21Š|
| 1019 | N | 29.2 | Very low | 30.4 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | | | trans | -73.2 | 109.9 | 162.1 | -179.9 | 16.9 | 0 | 0 | 0 | 108.7 | P1017 | P1017-N1019 PolarHBondContact O-N 3.09Š|
| 1020 | N | 29.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 112.2 Ų | 112.2 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | | | trans | -166.1 | 120.1 | 136.1 | -100.7 | -17.1 | 0 | 0 | 0 | 112 | P1018 | P1018-N1020 PolarHBondContact O-N 3.21Š|
| 1021 | S | 27.4 | Very low | 30 | Very low | 70 Ų | 70 | 111.4 Ų | 111.4 | 49% | 0.49 | 67% | 0.671 | S | S | . | * | | | trans | 62.5 | 127.7 | 130.4 | -45.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1022 | N | 26.3 | Very low | 29.5 | Very low | 91 Ų | 91 | 110.2 Ų | 110.2 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | | | trans | 64.4 | 124 | 139.1 | -60.5 | -15.6 | 0 | 0 | 0 | 117.6 | N878 | N878-N1022 PolarHBondContact ND2-OD1 2.94Š|
| 1023 | I | 26.8 | Very low | 29.2 | Very low | 144 Ų | 144 | 110.7 Ų | 110.7 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | | | cis | -163.5 | 150.7 | 37 | -122.6 | 153.3 | 0 | 0 | 0 | 111.6 | | |
| 1024 | C | 26.4 | Very low | 28.8 | Very low | 98 Ų | 98 | 111 Ų | 111 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | | | trans | 35.5 | 132.5 | 158 | -56.2 | 0 | 0 | 0 | 0 | 123.2 | | |
| 1025 | S | 27.4 | Very low | 28.6 | Very low | 124 Ų | 124 | 110.8 Ų | 110.8 | 87% | 0.867 | 67% | 0.67 | S | S | * | * | | | trans | 59.4 | 132.9 | 141.7 | 59.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1026 | G | 31.5 | Very low | 28.3 | Very low | 76 Ų | 76 | 109.7 Ų | 109.7 | 78% | 0.784 | 67% | 0.667 | S | S | * | * | | | cis | 170.6 | 174.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1027 | N | 26.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | | | trans | -59.8 | 169.5 | 170.7 | -103.8 | -26.1 | 0 | 0 | 0 | 113.4 | | |
| 1028 | P | 31.4 | Very low | 28 | Very low | 96 Ų | 96 | 113.8 Ų | 113.8 | 62% | 0.623 | 69% | 0.685 | S | S | * | * | | | cis | -143.8 | 161.3 | -14 | 36.1 | -16.5 | 0 | 0 | 0 | 117.8 | L1391 | P1028-L1391 CarbonylContact C-O 3.32Š|
| 1029 | G | 27.8 | Very low | 27.8 | Very low | 31 Ų | 31 | 113 Ų | 113 | 32% | 0.32 | 68% | 0.68 | S | S | . | * | | | | 58.9 | 121.3 | 124 | 0 | 0 | 0 | 0 | 0 | 124.9 | R1390 L1391 | G1029-R1390 CarbonylContact O-C 3.43Å; G1029-L1391 CarbonylContact C-O 3.59Å; G1029-L1391 VanDerWaalsContact CA-O 3.28Å; G1029-L1391 WeakPolarHBondContact CA-O 3.22Å; G1029-L1391 PolarHBondContact N-O 2.72Å; G1029-L1391 PolarHBondContact O-N 2.81Å |
| 1030 | Y | 26.1 | Very low | 27.6 | Very low | 155 Ų | 155 | 111.5 Ų | 111.5 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | | | trans | 90.7 | 175 | 146.7 | -67.5 | -79.9 | 0 | 0 | 0 | 119.7 | R1390 L1391 S1392 | Y1030-R1390 VanDerWaalsContact C-CA 3.48Å; Y1030-R1390 CarbonylContact O-C 2.97Å; Y1030-R1390 VanDerWaalsContact O-CA 3.27Å; Y1030-R1390 WeakPolarHBondContact O-CA 3.4Å; Y1030-L1391 PolarHBondContact N-O 3.14Å; Y1030-L1391 CarbonylContact O-C 3.52Å; Y1030-L1391 WeakPolarHBondContact O-CA 3.39Å; Y1030-L1391 PolarHBondContact O-N 2.85Å; Y1030-S1392 VanDerWaalsContact CA-OG 3.24Å; Y1030-S1392 WeakPolarHBondContact CA-OG 3.41Å; Y1030-S1392 PolarHBondContact N-OG 2.95Å; Y1030-S1392 PolarHBondContact O-N 2.81Å |
| 1031 | P | 31.2 | Very low | 27.4 | Very low | 52 Ų | 52 | 113.4 Ų | 113.4 | 34% | 0.338 | 68% | 0.68 | S | S | . | * | | | | -123.3 | 173.1 | -88.2 | 31.2 | -12.7 | 0 | 0 | 0 | 115.6 | R1390 | P1031-R1390 WeakPolarHBondContact O-CG 3.25Å; P1031-R1390 PolarHBondContact O-NE 2.79Å |
| 1032 | S | 24.7 | Very low | 27.5 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 55% | 0.552 | 69% | 0.692 | S | S | * | * | | | trans | 37.3 | 118.8 | 146.2 | -54.5 | 0 | 0 | 0 | 0 | 119.5 | R1390 | S1032-R1390 PolarHBondContact O-NH2 2.72Š|
| 1033 | S | 26.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 115.3 Ų | 115.3 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | | | | -118.2 | 114.2 | 128.5 | -59.1 | 0 | 0 | 0 | 0 | 104.1 | R1390 | S1033-R1390 PolarHBondContact OG-NH2 3.37Š|
| 1034 | D | 26.2 | Very low | 27.6 | Very low | 148 Ų | 148 | 114 Ų | 114 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | | | cis | 61.6 | 70.3 | 31.9 | -99.7 | -0.1 | 0 | 0 | 0 | 113.4 | | |
| 1035 | S | 25.4 | Very low | 27.7 | Very low | 102 Ų | 102 | 114 Ų | 114 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | | | trans | -158.1 | 110.7 | 147.2 | 53.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1036 | L | 26.2 | Very low | 27.7 | Very low | 163 Ų | 163 | 114.1 Ų | 114.1 | 85% | 0.853 | 67% | 0.673 | S | S | * | * | | | | 54.4 | 106.4 | 77 | -67.5 | 169.2 | 0 | 0 | 0 | 113.2 | | |
| 1037 | T | 26.5 | Very low | 27.7 | Very low | 142 Ų | 142 | 114 Ų | 114 | 87% | 0.871 | 67% | 0.672 | S | S | * | * | | | trans | -154.6 | 121.9 | 131.8 | 11.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1038 | L | 30.6 | Very low | 28.2 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 79% | 0.785 | 67% | 0.666 | S | S | * | * | | | trans | -60.3 | 150.9 | 147.8 | -62.2 | 149.5 | 0 | 0 | 0 | 107.8 | | |
| 1039 | P | 30.2 | Very low | 28 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | | | | -129.5 | 166.4 | 65.5 | 10.5 | 15 | 0 | 0 | 0 | 113.4 | | |
| 1040 | T | 25.1 | Very low | 28.2 | Very low | 100 Ų | 100 | 116.1 Ų | 116.1 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | | | cis | 88.1 | 116.8 | 36.5 | -46.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1041 | E | 25.7 | Very low | 28.6 | Very low | 177 Ų | 177 | 115.2 Ų | 115.2 | 83% | 0.827 | 70% | 0.702 | S | S | * | * | | | trans | 48.2 | 122.9 | 153.1 | -64.5 | 166 | -171 | 0 | 0 | 122.3 | | |
| 1042 | S | 28.6 | Very low | 28.6 | Very low | 106 Ų | 106 | 117 Ų | 117 | 74% | 0.741 | 72% | 0.721 | S | S | * | * | | | | 179.8 | 113.4 | 122.7 | -172.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1043 | C | 25.6 | Very low | 28.9 | Very low | 95 Ų | 95 | 116.6 Ų | 116.6 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | | | | 66.2 | 95.5 | 63.4 | -62.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1044 | R | 29.4 | Very low | 29.5 | Very low | 115 Ų | 115 | 116.9 Ų | 116.9 | 43% | 0.434 | 73% | 0.729 | S | S | . | * | | | trans | -177.9 | 96 | 154.1 | -96.5 | 156.7 | -158.1 | -129.4 | -1.1 | 107.3 | T1787 Q1789 N1790 | R1044-T1787 PolarHBondContact NH2-O 3.47Å; R1044-Q1789 VanDerWaalsContact NH1-N 3.13Å; R1044-N1790 WeakPolarHBondContact CD-OD1 3.06Å; R1044-N1790 VanDerWaalsContact CG-OD1 3.27Å; R1044-N1790 WeakPolarHBondContact CG-OD1 3.25Å |
| 1045 | T | 28.8 | Very low | 29.7 | Very low | 98 Ų | 98 | 117 Ų | 117 | 60% | 0.601 | 73% | 0.729 | S | S | * | * | | | cis | 80.3 | 136.9 | 34 | -38.3 | 0 | 0 | 0 | 0 | 113.3 | N1790 | T1045-N1790 PolarHBondContact O-ND2 2.87Š|
| 1046 | L | 28.7 | Very low | 30.3 | Very low | 128 Ų | 128 | 117.6 Ų | 117.6 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | | | trans | 71.9 | 127.7 | -177.1 | -43.7 | 178.8 | 0 | 0 | 0 | 113.6 | | |
| 1047 | G | 30.9 | Very low | 30.6 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | | | cis | 99.4 | -176.3 | 13.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1048 | P | 35.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 116 Ų | 116 | 75% | 0.747 | 72% | 0.721 | S | S | * | * | | | cis | -113.6 | -172.6 | -31 | 20.3 | 4 | 0 | 0 | 0 | 110.2 | | |
| 1049 | I | 29 | Very low | 30.6 | Very low | 158 Ų | 158 | 113.1 Ų | 113.1 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | | | | 165.7 | 141 | 82.2 | -74.5 | 166.1 | 0 | 0 | 0 | 102.8 | | |
| 1050 | G | 31 | Very low | 30.6 | Very low | 59 Ų | 59 | 111.1 Ų | 111.1 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | | | cis | 109.6 | 155.3 | 26.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1051 | P | 34.4 | Very low | 31 | Very low | 136 Ų | 136 | 112.5 Ų | 112.5 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | | | cis | -79.4 | -138.8 | -15.4 | 38.6 | -38.2 | 0 | 0 | 0 | 111.1 | | |
| 1052 | A | 31.6 | Very low | 31.1 | Very low | 89 Ų | 89 | 110.2 Ų | 110.2 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | | | cis | -157.3 | 177.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1053 | G | 31.7 | Very low | 31.6 | Very low | 70 Ų | 70 | 109.9 Ų | 109.9 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | | | cis | 118.3 | 131.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1054 | P | 37.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 110.8 Ų | 110.8 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | cis | -135.1 | 163.3 | -14.1 | 41.2 | -24.5 | 0 | 0 | 0 | 116.5 | | |
| 1055 | D | 30.9 | Very low | 31.8 | Very low | 150 Ų | 150 | 111.7 Ų | 111.7 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | | | trans | 22.6 | 179.6 | 130.7 | -39.4 | -37.7 | 0 | 0 | 0 | 123.2 | | |
| 1056 | P | 38.7 | Very low | 31.8 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | cis | -116.5 | -156.7 | -36.3 | 18.2 | 5.8 | 0 | 0 | 0 | 110.6 | | |
| 1057 | I | 32.4 | Very low | 32 | Very low | 140 Ų | 140 | 114.1 Ų | 114.1 | 72% | 0.718 | 76% | 0.763 | S | S | * | * | | | cis | -171.7 | 126.2 | 44.8 | -70.8 | 177.1 | 0 | 0 | 0 | 105 | | |
| 1058 | T | 29.3 | Very low | 31.7 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | | 66.2 | 142.2 | 78.2 | -53.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1059 | A | 28.4 | Very low | 31.3 | Very low | 91 Ų | 91 | 120.6 Ų | 120.6 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | cis | -171.7 | 171.1 | -31.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1060 | G | 29.5 | Very low | 31.2 | Very low | 76 Ų | 76 | 117.7 Ų | 117.7 | 78% | 0.784 | 75% | 0.749 | S | S | * | * | | | trans | 86.4 | 172.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1061 | V | 33.4 | Very low | 31 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | | | cis | -150.6 | 124.9 | -5.6 | -159.3 | 0 | 0 | 0 | 0 | 104.1 | | |
| 1062 | V | 27.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 78% | 0.782 | 75% | 0.747 | S | S | * | * | | | | 53.5 | 135 | 77.3 | 163.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1063 | P | 40 | Very low | 30.3 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 65% | 0.649 | 74% | 0.744 | S | S | * | * | | | cis | -143.3 | -148.8 | -26.8 | 40.3 | -18.7 | 0 | 0 | 0 | 113.1 | | |
| 1064 | T | 27.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | | | trans | 82 | 137.6 | 147 | 34.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 1065 | T | 31.2 | Very low | 29.6 | Very low | 134 Ų | 134 | 125.7 Ų | 125.7 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | | | trans | 53.3 | 120.4 | 152.6 | 53.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1066 | G | 29.2 | Very low | 29.3 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | | | cis | 101.6 | 109 | 2.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1067 | Q | 33.1 | Very low | 28.9 | Very low | 204 Ų | 204 | 124 Ų | 124 | 95% | 0.953 | 73% | 0.734 | S | S | * | * | | | trans | -146.7 | 171.4 | 163.7 | -99.9 | -170.5 | 20.1 | 0 | 0 | 110.9 | | |
| 1068 | K | 25.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 123.8 Ų | 123.8 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | | | trans | -117.6 | 155.6 | -166.5 | -62 | 176.5 | 178.5 | 174.4 | 0 | 112.5 | | |
| 1069 | R | 25.8 | Very low | 28.3 | Very low | 140 Ų | 140 | 124.4 Ų | 124.4 | 53% | 0.528 | 73% | 0.731 | S | S | . | * | | | trans | 72.2 | 158.2 | 160.8 | -70.5 | 171.4 | -179.9 | -126 | -4.7 | 114.9 | N1729 Q1730 | R1069-N1729 PolarHBondContact NH2-ND2 2.9Å; R1069-Q1730 VanDerWaalsContact CZ-OE1 3.22Å |
| 1070 | S | 28.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | | | cis | -139.6 | 168.9 | 13 | -142.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1071 | Y | 25.5 | Very low | 27.9 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 63% | 0.627 | 73% | 0.733 | S | S | * | * | | | trans | -53.8 | 145.7 | 163.5 | -58.5 | -107.1 | 0 | 0 | 0 | 111.1 | | |
| 1072 | H | 27.5 | Very low | 27.9 | Very low | 178 Ų | 178 | 132.4 Ų | 132.4 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | | | | -172.9 | 156.8 | 112.1 | -110.5 | -80.2 | 0 | 0 | 0 | 113 | | |
| 1073 | S | 25.3 | Very low | 28 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | 66.3 | 141.6 | 170.3 | -60.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1074 | A | 26.6 | Very low | 27.6 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 74% | 0.736 | S | S | * | * | | | cis | 71.4 | 148.2 | 38.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1075 | T | 26.4 | Very low | 27.6 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | cis | -145.2 | -164.6 | 21 | -24.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1076 | N | 26.1 | Very low | 27.8 | Very low | 124 Ų | 124 | 131.8 Ų | 131.8 | 66% | 0.663 | 72% | 0.722 | S | S | * | * | | | trans | -3.7 | 142 | 152.4 | -49.7 | -3.7 | 0 | 0 | 0 | 116.5 | | |
| 1077 | S | 29 | Very low | 27.7 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 72% | 0.722 | S | S | * | * | | | cis | -141 | 147.5 | 32 | -45.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1078 | D | 23.8 | Very low | 27.3 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | | | | 46.4 | 112.1 | 64.8 | -75.7 | -42.4 | 0 | 0 | 0 | 112.9 | | |
| 1079 | I | 25.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | | | trans | 148.1 | 100.5 | 140.5 | -75.7 | 157.4 | 0 | 0 | 0 | 111.7 | | |
| 1080 | W | 24.3 | Very low | 27.4 | Very low | 223 Ų | 223 | 124.4 Ų | 124.4 | 85% | 0.845 | 70% | 0.698 | S | S | * | * | | | trans | 69 | 150.8 | 137.4 | -66.5 | 33.9 | 0 | 0 | 0 | 121.5 | | |
| 1081 | L | 25.3 | Very low | 27.3 | Very low | 138 Ų | 138 | 123.7 Ų | 123.7 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | | | trans | 14.1 | 123.6 | 146.6 | -52.3 | 177.1 | 0 | 0 | 0 | 120.1 | | |
| 1082 | S | 35.1 | Very low | 27.6 | Very low | 103 Ų | 103 | 120.8 Ų | 120.8 | 72% | 0.72 | 69% | 0.694 | S | S | * | * | | | trans | 44.8 | 107.7 | 135.6 | -54.1 | 0 | 0 | 0 | 0 | 120.8 | N1084 | S1082-N1084 PolarHBondContact O-N 3Š|
| 1083 | P | 27.7 | Very low | 27.8 | Very low | 129 Ų | 129 | 119.2 Ų | 119.2 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | | | trans | -83.1 | 94 | 149.5 | 33 | -28.6 | 0 | 0 | 0 | 110 | | |
| 1084 | N | 31.7 | Very low | 28.1 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | | | trans | -82.2 | 121.5 | 166.1 | -138.5 | -0.8 | 0 | 0 | 0 | 107.8 | S1082 I1086 | S1082-N1084 PolarHBondContact O-N 3Å; N1084-I1086 HydrophobicContact CB-CD1 3.73Å; N1084-I1086 HydrophobicContact CB-CG1 4.32Å |
| 1085 | S | 27.7 | Very low | 28.3 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 75% | 0.748 | 69% | 0.69 | S | S | * | * | | | trans | -156.3 | 88 | -178.5 | -66.4 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1086 | I | 36.3 | Very low | 28.4 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 48% | 0.477 | 69% | 0.688 | S | S | . | * | | | cis | 63 | 109 | 39.6 | -50.4 | 179.9 | 0 | 0 | 0 | 110.7 | N1084 L1088 | N1084-I1086 HydrophobicContact CB-CD1 3.73Å; N1084-I1086 HydrophobicContact CB-CG1 4.32Å; I1086-L1088 HydrophobicContact CG2-CB 4.39Å; I1086-L1088 HydrophobicContact CG2-CD2 3.76Å; I1086-L1088 HydrophobicContact CG2-CG 3.77Å |
| 1087 | P | 25.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 123.5 Ų | 123.5 | 76% | 0.76 | 69% | 0.69 | S | S | * | * | | | | -84.1 | 130.8 | 107.4 | 28.4 | -33.4 | 0 | 0 | 0 | 108.8 | | |
| 1088 | L | 26.2 | Very low | 28.8 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 67% | 0.665 | 69% | 0.694 | S | S | * | * | | | cis | 64.3 | 115.3 | 41.7 | -57.9 | -168.3 | 0 | 0 | 0 | 109.2 | I1086 | I1086-L1088 HydrophobicContact CG2-CB 4.39Å; I1086-L1088 HydrophobicContact CG2-CD2 3.76Å; I1086-L1088 HydrophobicContact CG2-CG 3.77Å |
| 1089 | S | 25.8 | Very low | 29.6 | Very low | 52 Ų | 52 | 125 Ų | 125 | 36% | 0.364 | 70% | 0.697 | S | S | . | * | | | cis | -158 | 174.8 | 18.8 | 79.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1090 | M | 26.1 | Very low | 29.8 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | | | trans | 43 | 140.3 | 141 | -56.2 | -82.7 | 173.8 | 0 | 0 | 119.3 | | |
| 1091 | S | 27.4 | Very low | 30 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 59% | 0.587 | 70% | 0.696 | S | S | * | * | | | cis | -167.6 | 175.2 | -2.2 | -110.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1092 | P | 30.7 | Very low | 30.3 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | | | trans | -111.6 | -176.1 | -163.3 | 43.6 | -37.3 | 0 | 0 | 0 | 114.9 | | |
| 1093 | I | 31.7 | Very low | 30.1 | Very low | 146 Ų | 146 | 117 Ų | 117 | 75% | 0.749 | 70% | 0.695 | S | S | * | * | | | trans | 72.7 | 157.2 | 160.7 | -68.5 | 164 | 0 | 0 | 0 | 113.5 | | |
| 1094 | P | 32.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | | | cis | -124.8 | 149.3 | 0.2 | 19.7 | 4.1 | 0 | 0 | 0 | 117.9 | | |
| 1095 | N | 29.7 | Very low | 30.3 | Very low | 133 Ų | 133 | 119.2 Ų | 119.2 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | | | | 49.2 | 168.2 | 120.2 | -42.9 | -8.6 | 0 | 0 | 0 | 124.4 | | |
| 1096 | N | 28.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 121.8 Ų | 121.8 | 67% | 0.668 | 69% | 0.693 | S | S | * | * | | | trans | 80.7 | 136.7 | 161.2 | -68.5 | 26.3 | 0 | 0 | 0 | 117.3 | | |
| 1097 | E | 33.6 | Very low | 30.5 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | | | cis | -156.2 | 134.2 | -5.6 | -123.5 | 160.3 | 159.7 | 0 | 0 | 113.4 | | |
| 1098 | N | 29.5 | Very low | 30.8 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | | | trans | 50.9 | 157.3 | 135.8 | -88.2 | -21.8 | 0 | 0 | 0 | 124.2 | | |
| 1099 | P | 40.8 | Very low | 31 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | | | trans | -117.9 | 165.8 | -164.2 | 42.7 | -31.5 | 0 | 0 | 0 | 115.8 | | |
| 1100 | A | 28.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 124.2 Ų | 124.2 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | | | trans | -167.8 | 158.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1101 | L | 30.1 | Very low | 31.5 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | | | cis | -168.9 | 146.2 | -20.5 | -106.7 | 169.2 | 0 | 0 | 0 | 107 | | |
| 1102 | V | 30.7 | Very low | 31.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | | | trans | 64.3 | 136.5 | 156.2 | 176.3 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1103 | G | 32.1 | Very low | 31.6 | Very low | 62 Ų | 62 | 125 Ų | 125 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | | | cis | 172.8 | -165.3 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1104 | H | 31.2 | Very low | 31.3 | Very low | 167 Ų | 167 | 123.6 Ų | 123.6 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | 41.3 | 135.6 | 142.2 | -77.5 | -72.4 | 0 | 0 | 0 | 120.2 | | |
| 1105 | I | 32.3 | Very low | 31.1 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | cis | -160.9 | 161.2 | 19 | 19.2 | 171.8 | 0 | 0 | 0 | 108.7 | | |
| 1106 | E | 32.1 | Very low | 30.9 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | cis | -158.9 | 143.2 | -10.9 | -170.1 | 153.9 | -82.9 | 0 | 0 | 109.5 | | |
| 1107 | P | 34.5 | Very low | 30.8 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -97.6 | 128.3 | 179.2 | 34.8 | -31 | 0 | 0 | 0 | 114.5 | | |
| 1108 | G | 31.8 | Very low | 30.5 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -97.2 | 129.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1109 | S | 30.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 125.1 Ų | 125.1 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | cis | 67 | 135.6 | 48.5 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1110 | V | 29.1 | Very low | 29.8 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | cis | -141.8 | 165.5 | 25.2 | -96.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1111 | P | 32.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -118.9 | -97 | -145.2 | 21.6 | 4.4 | 0 | 0 | 0 | 118.6 | | |
| 1112 | P | 36.2 | Very low | 29.7 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | | | trans | -120.6 | -147.6 | -146.9 | 37.4 | -15.5 | 0 | 0 | 0 | 113.4 | | |
| 1113 | V | 25.6 | Very low | 29.5 | Very low | 120 Ų | 120 | 125.3 Ų | 125.3 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | 97.7 | 98.5 | 163.4 | -172.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1114 | C | 24.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 78% | 0.784 | 76% | 0.759 | S | S | * | * | | | | 39.1 | 112.3 | 128.1 | -49.1 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1115 | R | 27.9 | Very low | 29.2 | Very low | 241 Ų | 241 | 126.8 Ų | 126.8 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | | -153.9 | 124.3 | 124.3 | -110.9 | 165.8 | 170.1 | 148.8 | -3.2 | 107.7 | | |
| 1116 | A | 25.7 | Very low | 29.1 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 84% | 0.835 | 76% | 0.755 | S | S | * | * | | | | 60.3 | 78.3 | 50.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1117 | G | 27.9 | Very low | 28.8 | Very low | 78 Ų | 78 | 123.1 Ų | 123.1 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | | | trans | -153.3 | 112.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1118 | Q | 27.7 | Very low | 28.4 | Very low | 182 Ų | 182 | 124.3 Ų | 124.3 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | trans | -82.1 | 133.9 | -163.8 | -57.4 | 169.7 | 3.2 | 0 | 0 | 114 | | |
| 1119 | A | 27.9 | Very low | 28.2 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | | | trans | -165.4 | 123.5 | 136.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1120 | L | 27.6 | Very low | 28.2 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | | 60 | 116.5 | 52.7 | -53.2 | 174 | 0 | 0 | 0 | 110.7 | | |
| 1121 | N | 27.4 | Very low | 28.1 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | | | cis | -141.3 | 150 | 6.4 | -90.2 | -34.8 | 0 | 0 | 0 | 109 | | |
| 1122 | V | 28.1 | Very low | 28.2 | Very low | 108 Ų | 108 | 125 Ų | 125 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | | | | 58.2 | 115.5 | 61.9 | -168.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1123 | I | 27.1 | Very low | 28.1 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 69% | 0.692 | 76% | 0.759 | S | S | * | * | | | | -157.5 | 121.6 | 84.2 | -87 | 176.7 | 0 | 0 | 0 | 106.6 | | |
| 1124 | Q | 29.1 | Very low | 28.1 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | | 59.9 | 131.6 | 112.3 | -45.9 | 162.6 | 6.8 | 0 | 0 | 114 | | |
| 1125 | S | 27.8 | Very low | 28.3 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 74% | 0.743 | S | S | * | * | | | cis | 61.2 | 162.7 | 38.9 | -137.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1126 | P | 29.6 | Very low | 28.4 | Very low | 99 Ų | 99 | 115.2 Ų | 115.2 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | | | cis | -134 | -173 | 0.4 | 44.9 | -28.4 | 0 | 0 | 0 | 114.3 | | |
| 1127 | V | 25.7 | Very low | 28.8 | Very low | 126 Ų | 126 | 113.5 Ų | 113.5 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | | | trans | 13.5 | 120.1 | 133.2 | 179.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1128 | V | 26.7 | Very low | 29.1 | Very low | 142 Ų | 142 | 118 Ų | 118 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | | | | -145.1 | 135.7 | 104.7 | 165.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1129 | G | 27.4 | Very low | 29.5 | Very low | 57 Ų | 57 | 115 Ų | 115 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | | | trans | -113.9 | -167.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1130 | S | 30.4 | Very low | 29.8 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | | | trans | -159.2 | 155 | 154.7 | -84.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1131 | I | 27.2 | Very low | 30.4 | Very low | 164 Ų | 164 | 116.1 Ų | 116.1 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | | | trans | -105.8 | 166 | -162.6 | -8.2 | -179.8 | 0 | 0 | 0 | 110.9 | | |
| 1132 | P | 35.1 | Very low | 30.3 | Very low | 111 Ų | 111 | 117.6 Ų | 117.6 | 72% | 0.721 | 71% | 0.706 | S | S | * | * | | | | -84.9 | -81 | -105.6 | 8.2 | 7.7 | 0 | 0 | 0 | 117.3 | | |
| 1133 | P | 34.1 | Very low | 30.3 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | cis | -106 | -175.8 | 1.4 | 42.7 | -34.8 | 0 | 0 | 0 | 115.3 | | |
| 1134 | T | 26 | Very low | 30.4 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | | | trans | -77.9 | 146.3 | 177.4 | -41.8 | 0 | 0 | 0 | 0 | 113.7 | V1136 | T1134-V1136 HydrophobicContact CG2-CG2 4.29Š|
| 1135 | C | 27 | Very low | 30.3 | Very low | 85 Ų | 85 | 121.2 Ų | 121.2 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | | | trans | -164.9 | 113.2 | 158.4 | -97.7 | 0 | 0 | 0 | 0 | 114.2 | T569 T570 | T569-C1135 PolarHBondContact O-SG 3.1Å; T569-C1135 VanDerWaalsContact O-SG 3.33Å; T570-C1135 VanDerWaalsContact C-CB 3.47Å; T570-C1135 PolarHBondContact O-SG 3.42Å |
| 1136 | V | 31.3 | Very low | 30.5 | Very low | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.467 | 74% | 0.739 | S | S | . | * | | | trans | -102.5 | -144.6 | -174.4 | -145.1 | 0 | 0 | 0 | 0 | 112.2 | T569 T570 M571 T1134 | T569-V1136 VanDerWaalsContact C-N 3.28Å; T570-V1136 WeakPolarHBondContact CA-O 3.3Å; T570-V1136 VanDerWaalsContact N-N 3.11Å; T570-V1136 PolarHBondContact N-O 2.87Å; M571-V1136 PolarHBondContact N-O 3.18Å; T1134-V1136 HydrophobicContact CG2-CG2 4.29Å |
| 1137 | P | 34.3 | Very low | 30.8 | Very low | 65 Ų | 65 | 118.7 Ų | 118.7 | 42% | 0.422 | 75% | 0.745 | S | S | . | * | | | | -100.8 | -174.9 | -78.8 | 43 | -33.3 | 0 | 0 | 0 | 115.2 | | |
| 1138 | I | 32.8 | Very low | 31 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | | | trans | -118.3 | 123.6 | 155.5 | -60.8 | 176.1 | 0 | 0 | 0 | 109.3 | | |
| 1139 | T | 37.3 | Very low | 31 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | -145.1 | 120.7 | 167 | 49.6 | 0 | 0 | 0 | 0 | 112 | | |
| 1140 | N | 34.2 | Very low | 30.9 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | | | | 48.4 | 147.5 | 124.3 | -150.4 | 14.3 | 0 | 0 | 0 | 122.6 | | |
| 1141 | T | 39.1 | Very low | 30.8 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 64% | 0.644 | 76% | 0.758 | S | S | * | * | | | trans | 54.5 | 117.1 | 154.1 | 32.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1142 | N | 27 | Very low | 30.9 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -69.7 | 127.2 | 139.3 | -70 | -71.7 | 0 | 0 | 0 | 109.9 | | |
| 1143 | Q | 26.5 | Very low | 30.9 | Very low | 197 Ų | 197 | 121.4 Ų | 121.4 | 92% | 0.921 | 76% | 0.757 | S | S | * | * | | | trans | -169.9 | 141.4 | 136.2 | -109.8 | 165.8 | 105.5 | 0 | 0 | 110.8 | | |
| 1144 | S | 28.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | -115.6 | 153.4 | -172.6 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1145 | V | 27.9 | Very low | 31.5 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 95% | 0.952 | 76% | 0.763 | S | S | * | * | | | trans | -137.4 | 118.4 | 164.5 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1146 | G | 31.7 | Very low | 31.9 | Very low | 82 Ų | 82 | 123 Ų | 123 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | 120.8 | 101.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1147 | G | 36.6 | Very low | 32.3 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 75% | 0.749 | S | S | * | * | | | trans | 133.9 | 91.6 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1148 | R | 30 | Very low | 32.3 | Very low | 257 Ų | 257 | 126.2 Ų | 126.2 | 97% | 0.97 | 76% | 0.757 | S | S | * | * | | | trans | 63 | 148.7 | 157.5 | -61.2 | -177.7 | 169.9 | -156.7 | -2.1 | 119.5 | | |
| 1149 | G | 25.3 | Very low | 32.4 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 75% | 0.75 | S | S | * | * | | | trans | 83.5 | 140.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1150 | S | 25.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | | | cis | 79.3 | 85.6 | 18.2 | -154.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1151 | G | 28.7 | Very low | 32.4 | Very low | 73 Ų | 73 | 135.2 Ų | 135.2 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | | | trans | 82.1 | 170.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1152 | V | 29.6 | Very low | 32.1 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 78% | 0.782 | 77% | 0.774 | S | S | * | * | | | cis | -157 | 157.3 | -17.6 | -161.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1153 | T | 34.7 | Very low | 32.3 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | 66.4 | 139.6 | 162.3 | 31.2 | 0 | 0 | 0 | 0 | 118 | | |
| 1154 | R | 34.8 | Very low | 32.6 | Very low | 185 Ų | 185 | 126.6 Ų | 126.6 | 70% | 0.698 | 77% | 0.768 | S | S | * | * | | | cis | 74.3 | 153.6 | 34.8 | -68 | -171.7 | 175.5 | -157.1 | 1.3 | 113.9 | D1650 | R1154-D1650 IonicContact CZ-OD2 3.18Å; R1154-D1650 IonicContact NH2-OD2 2.67Å; R1154-D1650 PolarHBondContact NH2-OD2 2.91Å |
| 1155 | P | 37.9 | Very low | 32.7 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | -147.5 | 173 | 22 | 43.3 | -23.6 | 0 | 0 | 0 | 120.8 | | |
| 1156 | G | 36 | Very low | 33 | Very low | 28 Ų | 28 | 124.7 Ų | 124.7 | 29% | 0.289 | 77% | 0.768 | S | S | . | * | | | trans | 98.8 | 153.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1157 | T | 39.3 | Very low | 32.9 | Very low | 74 Ų | 74 | 124.2 Ų | 124.2 | 45% | 0.454 | 76% | 0.763 | S | S | . | * | | | cis | -157.6 | 125.1 | -21.4 | -8.8 | 0 | 0 | 0 | 0 | 116.5 | L1645 L1646 | T1157-L1645 CarbonylContact C-O 3.08Å; T1157-L1645 VanDerWaalsContact O-O 3.13Å; T1157-L1646 VanDerWaalsContact CA-CG 3.47Å |
| 1158 | K | 35.6 | Very low | 32.4 | Very low | 134 Ų | 134 | 131.8 Ų | 131.8 | 58% | 0.583 | 77% | 0.768 | S | S | * | * | | | trans | 68.6 | 126.2 | 155.8 | -67.5 | 149.3 | -175.1 | 171.3 | 0 | 120.8 | L1645 | K1158-L1645 CarbonylContact C-O 2.94Å; K1158-L1645 WeakPolarHBondContact CA-O 3.28Å; K1158-L1645 PolarHBondContact N-O 3.47Å |
| 1159 | K | 34.9 | Very low | 32.2 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | cis | -168.5 | 141.3 | 27.5 | -102.3 | 157.8 | 179.4 | -179.8 | 0 | 111.8 | | |
| 1160 | R | 35.9 | Very low | 32.4 | Very low | 243 Ų | 243 | 124.5 Ų | 124.5 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | | | | 61.5 | 139.4 | 91.8 | -65.6 | -173.5 | 174.9 | -175.1 | -2.2 | 116.3 | | |
| 1161 | K | 35.7 | Very low | 32.4 | Very low | 208 Ų | 208 | 124.8 Ų | 124.8 | 90% | 0.904 | 74% | 0.741 | S | S | * | * | | | cis | -142.4 | 155.9 | 44.6 | -175.7 | 179.2 | 177.1 | -174 | 0 | 115 | | |
| 1162 | A | 31.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | | | trans | -53.6 | 163.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1163 | G | 31.7 | Very low | 32.3 | Very low | 69 Ų | 69 | 128 Ų | 128 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | cis | 162.1 | -144.6 | -1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1164 | A | 33.3 | Very low | 32 | Very low | 114 Ų | 114 | 126.3 Ų | 126.3 | 94% | 0.942 | 73% | 0.73 | S | S | * | * | | | trans | 68.8 | 117.5 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1165 | A | 30.6 | Very low | 31.6 | Very low | 101 Ų | 101 | 121 Ų | 121 | 84% | 0.835 | 72% | 0.718 | S | S | * | * | | | trans | -118.5 | 166.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1166 | S | 32.8 | Very low | 31.3 | Very low | 130 Ų | 130 | 116.9 Ų | 116.9 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | | | trans | -18.4 | 128.3 | 170.7 | -170.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1167 | G | 29.9 | Very low | 30.8 | Very low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 71% | 0.71 | S | S | * | * | | | trans | -155.1 | 72.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1168 | R | 26 | Very low | 30.2 | Very low | 233 Ų | 233 | 123 Ų | 123 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | | | | 26.6 | 133.8 | 126.1 | -151 | -170.2 | -165.2 | -177.5 | 4.4 | 117.5 | | |
| 1169 | S | 27.3 | Very low | 29.8 | Very low | 91 Ų | 91 | 118.3 Ų | 118.3 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | | | | 150.9 | 154 | 98.9 | -157.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1170 | S | 27.8 | Very low | 29.5 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 70% | 0.696 | S | S | * | * | | | trans | 29.4 | 119.8 | 142.7 | 61.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1171 | V | 26.9 | Very low | 29.1 | Very low | 135 Ų | 135 | 109 Ų | 109 | 82% | 0.818 | 68% | 0.676 | S | S | * | * | | | | 43.3 | 107.2 | 82.7 | -172.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1172 | I | 29 | Very low | 28.9 | Very low | 164 Ų | 164 | 107.2 Ų | 107.2 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | | | trans | 177.8 | 136.9 | 132.1 | -92.1 | 154 | 0 | 0 | 0 | 107.6 | | |
| 1173 | S | 26.1 | Very low | 28.7 | Very low | 107 Ų | 107 | 106.9 Ų | 106.9 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | | | trans | -113.2 | 116.3 | 175.7 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1174 | N | 28.2 | Very low | 28.8 | Very low | 88 Ų | 88 | 108.7 Ų | 108.7 | 47% | 0.471 | 67% | 0.669 | S | S | . | * | | | trans | -164.9 | 122.2 | 149 | -114.9 | -26.1 | 0 | 0 | 0 | 115.9 | G1738 | N1174-G1738 WeakPolarHBondContact CB-O 3.27Å; N1174-G1738 PolarHBondContact ND2-N 3.34Å; N1174-G1738 PolarHBondContact ND2-O 3.11Å |
| 1175 | T | 27.8 | Very low | 28.9 | Very low | 74 Ų | 74 | 108.6 Ų | 108.6 | 45% | 0.454 | 66% | 0.657 | S | S | . | * | | | trans | 38.7 | 123.9 | 136.7 | 49.2 | 0 | 0 | 0 | 0 | 122.4 | P1739 N1740 | T1175-P1739 HydrophobicContact CG2-CB 4.48Å; T1175-P1739 WeakPolarHBondContact OG1-CA 3.45Å; T1175-P1739 VanDerWaalsContact OG1-CB 3.29Å; T1175-P1739 WeakPolarHBondContact OG1-CB 3.33Å; T1175-N1740 WeakPolarHBondContact CB-OD1 3.4Å; T1175-N1740 VanDerWaalsContact O-CA 3.27Å; T1175-N1740 WeakPolarHBondContact O-CA 3.46Å; T1175-N1740 PolarHBondContact O-N 3.48Å; T1175-N1740 PolarHBondContact OG1-N 3.13Å |
| 1176 | G | 30 | Very low | 29.1 | Very low | 37 Ų | 37 | 111.6 Ų | 111.6 | 38% | 0.381 | 65% | 0.653 | S | S | . | * | | | trans | 136.6 | 93.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | Q1741 I1742 | G1176-Q1741 CarbonylContact O-C 2.91Å; G1176-I1742 PolarHBondContact O-N 3.44Å |
| 1177 | N | 26 | Very low | 29.1 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 54% | 0.535 | 64% | 0.643 | S | S | . | * | | | | 87.5 | -166.5 | 91.9 | -112.6 | -29 | 0 | 0 | 0 | 117.8 | I1742 Q1743 R1744 | N1177-I1742 VanDerWaalsContact C-CA 3.45Å; N1177-I1742 HydrophobicContact CB-CB 4.28Å; N1177-I1742 HydrophobicContact CB-CD1 3.68Å; N1177-I1742 HydrophobicContact CB-CG1 3.77Å; N1177-Q1743 VanDerWaalsContact C-N 3.25Å; N1177-Q1743 CarbonylContact O-C 3.59Å; N1177-Q1743 VanDerWaalsContact O-C 3.32Å; N1177-Q1743 WeakPolarHBondContact O-CA 3.45Å; N1177-Q1743 PolarHBondContact O-N 3.27Å; N1177-R1744 PolarHBondContact O-N 3.37Å |
| 1178 | Y | 27.4 | Very low | 29.2 | Very low | 131 Ų | 131 | 116.6 Ų | 116.6 | 51% | 0.514 | 64% | 0.643 | S | S | . | * | | | trans | -68.6 | 160.5 | -169.1 | -84.6 | -88.8 | 0 | 0 | 0 | 125.8 | I1742 Q1743 | Y1178-I1742 CarbonylContact O-C 3.44Å; Y1178-I1742 VanDerWaalsContact O-CA 3.26Å; Y1178-I1742 WeakPolarHBondContact O-CA 3.37Å; Y1178-I1742 WeakPolarHBondContact O-CG2 3.17Å; Y1178-Q1743 VanDerWaalsContact C-N 3.34Å; Y1178-Q1743 PolarHBondContact O-N 3.26Å |
| 1179 | A | 27.6 | Very low | 29.5 | Very low | 35 Ų | 35 | 109.7 Ų | 109.7 | 29% | 0.289 | 63% | 0.631 | S | S | . | * | | | trans | 88.5 | -127 | 146.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | R1744 | A1179-R1744 WeakPolarHBondContact O-CB 3.18Å; A1179-R1744 WeakPolarHBondContact O-CD 3.34Å; A1179-R1744 WeakPolarHBondContact O-CG 3.25Å |
| 1180 | Q | 28.6 | Very low | 29.3 | Very low | 144 Ų | 144 | 110.2 Ų | 110.2 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | | | | -67.4 | 121.1 | -118.1 | -68.4 | 171.4 | -1.8 | 0 | 0 | 115.2 | Q1743 | Q1180-Q1743 PolarHBondContact O-OE1 3.06Š|
| 1181 | S | 26.2 | Very low | 29.5 | Very low | 73 Ų | 73 | 111.5 Ų | 111.5 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | | | cis | 79.6 | 132.2 | 49.1 | 78.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1182 | L | 31.1 | Very low | 29.3 | Very low | 170 Ų | 170 | 109 Ų | 109 | 89% | 0.89 | 63% | 0.626 | S | S | * | * | | | trans | 170 | 153.1 | 138.5 | -86.3 | 169.4 | 0 | 0 | 0 | 106.5 | | |
| 1183 | S | 28.6 | Very low | 28.9 | Very low | 90 Ų | 90 | 107.5 Ų | 107.5 | 63% | 0.629 | 62% | 0.619 | S | S | * | * | | | cis | -168.3 | 98.3 | -29.1 | 173 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1184 | S | 34.4 | Very low | 28.8 | Very low | 108 Ų | 108 | 109.6 Ų | 109.6 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | | | trans | -160.2 | 83.8 | 156 | 49.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1185 | T | 35 | Very low | 28.6 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 69% | 0.687 | 63% | 0.634 | S | S | * | * | | | | 71.8 | 133.3 | 77.3 | 63.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1186 | H | 35 | Very low | 28.6 | Very low | 163 Ų | 163 | 114.5 Ų | 114.5 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | | | trans | 69.3 | 129.8 | 165.9 | -91.1 | -46.2 | 0 | 0 | 0 | 119.1 | | |
| 1187 | Q | 32.5 | Very low | 28.6 | Very low | 149 Ų | 149 | 120 Ų | 120 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | | | trans | 74.3 | 130.3 | 141.7 | -66.4 | -179.4 | 47.4 | 0 | 0 | 117.6 | | |
| 1188 | Q | 31.9 | Very low | 29.1 | Very low | 157 Ų | 157 | 120.5 Ų | 120.5 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | | | cis | -155 | -151.9 | -18.4 | -149.1 | 158.5 | -13.5 | 0 | 0 | 109.5 | | |
| 1189 | S | 31.2 | Very low | 29.7 | Very low | 88 Ų | 88 | 121.4 Ų | 121.4 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | | | trans | -27.6 | 136.8 | 155.7 | 58.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1190 | S | 23.2 | Very low | 29.9 | Very low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | | | | 53.3 | 164.6 | 50.9 | -45.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1191 | P | 33 | Very low | 30 | Very low | 114 Ų | 114 | 127.2 Ų | 127.2 | 74% | 0.74 | 70% | 0.702 | S | S | * | * | | | cis | -112.7 | -82.7 | -47.1 | 26.7 | -11.2 | 0 | 0 | 0 | 107.8 | | |
| 1192 | T | 22.1 | Very low | 30.4 | Very low | 83 Ų | 83 | 128.9 Ų | 128.9 | 51% | 0.509 | 71% | 0.711 | S | S | . | * | | | trans | -49 | 145 | 164 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1193 | N | 21.7 | Very low | 30.5 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | | -160.6 | 133.3 | 97.1 | -85.1 | -24.5 | 0 | 0 | 0 | 109.7 | | |
| 1194 | Q | 23 | Very low | 30.9 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 71% | 0.705 | S | S | * | * | | | | 65.4 | 68 | 61.4 | -59.1 | -177.6 | 41.9 | 0 | 0 | 112.8 | | |
| 1195 | N | 24.9 | Very low | 30.7 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | trans | -145.2 | 114.7 | 130.9 | -99 | -29.6 | 0 | 0 | 0 | 106.4 | | |
| 1196 | V | 28.2 | Very low | 30.4 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 68% | 0.679 | 69% | 0.694 | S | S | * | * | | | | 92.1 | 112.9 | 64.7 | 160 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1197 | H | 28.4 | Very low | 30 | Very low | 152 Ų | 152 | 123.2 Ų | 123.2 | 70% | 0.704 | 68% | 0.679 | S | S | * | * | | | trans | 49.5 | 124.5 | 158.3 | -74.6 | -113.4 | 0 | 0 | 0 | 118.6 | | |
| 1198 | C | 36.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 76% | 0.757 | 67% | 0.668 | S | S | * | * | S | Bend | cis | -126.6 | 150.7 | 14.1 | -73.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1199 | L | 40.1 | Very low | 29.7 | Very low | 149 Ų | 149 | 116.9 Ų | 116.9 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | | | cis | -149 | 160 | 2.6 | -117.9 | 162.5 | 0 | 0 | 0 | 111 | | |
| 1200 | K | 32.1 | Very low | 29.9 | Very low | 157 Ų | 157 | 117.3 Ų | 117.3 | 68% | 0.683 | 67% | 0.668 | S | S | * | * | | | trans | -45.8 | 162.1 | -179.1 | -72.1 | -173 | 153.7 | -161.6 | 0 | 117.2 | | |
| 1201 | Q | 30.5 | Very low | 30.3 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | | | cis | -165.4 | 167.3 | -16 | -111.8 | 179.5 | -57.9 | 0 | 0 | 109.2 | | |
| 1202 | P | 35.7 | Very low | 30.2 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | | | trans | -95.9 | -179.1 | 172.8 | 39.9 | -33.5 | 0 | 0 | 0 | 112.4 | | |
| 1203 | I | 31.8 | Very low | 30.8 | Very low | 150 Ų | 150 | 124.5 Ų | 124.5 | 77% | 0.769 | 69% | 0.686 | S | S | * | * | | | | -176 | 152.2 | 127.7 | -96.7 | 155.8 | 0 | 0 | 0 | 111.2 | | |
| 1204 | P | 38 | Very low | 31.2 | Very low | 97 Ų | 97 | 126.4 Ų | 126.4 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | | | trans | -114.1 | -148.9 | -167 | 41.4 | -27.5 | 0 | 0 | 0 | 113.4 | | |
| 1205 | N | 30.9 | Very low | 31.5 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | | | trans | 75 | 166.2 | 175.5 | -55.6 | -21 | 0 | 0 | 0 | 113.9 | | |
| 1206 | C | 27 | Very low | 32.2 | Very low | 79 Ų | 79 | 123.8 Ų | 123.8 | 53% | 0.534 | 69% | 0.688 | S | S | . | * | | | cis | -165.1 | 179.3 | -27.4 | 57.3 | 0 | 0 | 0 | 0 | 107 | N1761 N1762 | C1206-N1761 VanDerWaalsContact CA-OD1 3.27Å; C1206-N1761 WeakPolarHBondContact CA-OD1 3.33Å; C1206-N1761 WeakPolarHBondContact CB-OD1 3.34Å; C1206-N1762 PolarHBondContact O-ND2 3.43Å |
| 1207 | V | 27 | Very low | 32.2 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | | | cis | -146.1 | 167.4 | -8.9 | 67.3 | 0 | 0 | 0 | 0 | 108.1 | N1760 N1761 N1762 | V1207-N1760 WeakPolarHBondContact CG2-OD1 3.46Å; V1207-N1761 WeakPolarHBondContact CA-OD1 3.37Å; V1207-N1762 PolarHBondContact N-OD1 3.42Å; V1207-N1762 PolarHBondContact O-OD1 3.09Å |
| 1208 | A | 27.8 | Very low | 32.3 | Very low | 56 Ų | 56 | 125.3 Ų | 125.3 | 46% | 0.463 | 69% | 0.692 | S | S | . | * | | | trans | -66.4 | 147.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1209 | T | 29.9 | Very low | 32.1 | Very low | 116 Ų | 116 | 127 Ų | 127 | 71% | 0.712 | 69% | 0.692 | S | S | * | * | | | | -177.7 | 160.4 | 128.2 | 22.2 | 0 | 0 | 0 | 0 | 111.5 | N1764 | T1209-N1764 PolarHBondContact O-ND2 2.78Å; T1209-N1764 VanDerWaalsContact O-ND2 3.12Å |
| 1210 | P | 36.8 | Very low | 31.8 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | | | trans | -109.7 | 151.9 | 177.8 | 38.3 | -30.9 | 0 | 0 | 0 | 113.6 | | |
| 1211 | N | 30.6 | Very low | 31.8 | Very low | 160 Ų | 160 | 122.4 Ų | 122.4 | 86% | 0.856 | 69% | 0.691 | S | S | * | * | | | trans | -173.4 | 168 | 134.6 | -108.5 | -61.1 | 0 | 0 | 0 | 115 | | |
| 1212 | K | 31.6 | Very low | 32 | Very low | 185 Ų | 185 | 123.3 Ų | 123.3 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | | | trans | -75.2 | -177.8 | 173.4 | -47.7 | 168.5 | 177.4 | 171.3 | 0 | 111.4 | | |
| 1213 | P | 34.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 125.4 Ų | 125.4 | 68% | 0.682 | 70% | 0.7 | S | S | * | * | | | cis | -133.9 | -162.2 | -17 | 21.8 | 5.1 | 0 | 0 | 0 | 113.2 | | |
| 1214 | M | 29.5 | Very low | 32.1 | Very low | 172 Ų | 172 | 122.7 Ų | 122.7 | 85% | 0.847 | 69% | 0.692 | S | S | * | * | | | trans | 82.9 | 113.1 | 153.9 | -51.4 | -166.8 | -174.9 | 0 | 0 | 120.7 | | |
| 1215 | N | 30.4 | Very low | 31.8 | Very low | 155 Ų | 155 | 125.3 Ų | 125.3 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | | | | 10.7 | 158.8 | 111.1 | -118.9 | 4.4 | 0 | 0 | 0 | 119.4 | | |
| 1216 | P | 39.5 | Very low | 31.7 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 60% | 0.604 | 70% | 0.695 | S | S | * | * | | | cis | -142.7 | -171 | -0.5 | 43.5 | -25 | 0 | 0 | 0 | 116.1 | | |
| 1217 | S | 27.6 | Very low | 32 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 66% | 0.657 | 70% | 0.699 | S | S | * | * | | | trans | 66.9 | 147.5 | 143.2 | -65.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1218 | Y | 30.2 | Very low | 32.2 | Very low | 202 Ų | 202 | 131.4 Ų | 131.4 | 79% | 0.792 | 71% | 0.711 | S | S | * | * | | | cis | -178.3 | 168.3 | 15.6 | -125.5 | -151.1 | 0 | 0 | 0 | 111.2 | | |
| 1219 | I | 33.2 | Very low | 32.4 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 76% | 0.759 | 72% | 0.719 | S | S | * | * | | | trans | 70.8 | 120.8 | 154.2 | -66.3 | 161.7 | 0 | 0 | 0 | 120.3 | | |
| 1220 | G | 33.5 | Very low | 32.3 | Very low | 67 Ų | 67 | 136.9 Ų | 136.9 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | | | | 114 | 130.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1221 | D | 32.1 | Very low | 32 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | | | cis | -163.3 | 170.8 | -26.6 | -129.7 | -47 | 0 | 0 | 0 | 112 | | |
| 1222 | E | 34.2 | Very low | 32.3 | Very low | 165 Ų | 165 | 131.2 Ų | 131.2 | 77% | 0.771 | 69% | 0.692 | S | S | * | * | | | trans | 60.7 | 116.7 | 167.1 | -56.4 | -162 | 145.6 | 0 | 0 | 118.8 | | |
| 1223 | L | 34.9 | Very low | 32.5 | Very low | 151 Ų | 151 | 128 Ų | 128 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | | 88.4 | 158.1 | 55.5 | -73 | 173.6 | 0 | 0 | 0 | 113.6 | | |
| 1224 | P | 35.7 | Very low | 32.3 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 60% | 0.604 | 68% | 0.679 | S | S | * | * | | | cis | -140.9 | -176 | -31.6 | 35.5 | -15.2 | 0 | 0 | 0 | 115.9 | | |
| 1225 | M | 30.4 | Very low | 32.6 | Very low | 152 Ų | 152 | 122.3 Ų | 122.3 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | | | trans | 71.7 | 157.6 | 161.2 | -52.4 | -44.9 | 179.7 | 0 | 0 | 118.3 | | |
| 1226 | N | 29.9 | Very low | 33 | Very low | 112 Ų | 112 | 119 Ų | 119 | 60% | 0.599 | 65% | 0.651 | S | S | * | * | | | cis | -171.8 | 174.6 | -18.2 | -97.7 | -13 | 0 | 0 | 0 | 108.8 | | |
| 1227 | H | 33.2 | Very low | 32.8 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 63% | 0.634 | 66% | 0.657 | S | S | * | * | | | cis | -165.6 | 140.5 | -8.1 | -118.6 | 15.4 | 0 | 0 | 0 | 110.9 | | |
| 1228 | F | 31.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 122.4 Ų | 122.4 | 68% | 0.684 | 65% | 0.646 | S | S | * | * | | | trans | 60 | 168.6 | 153.9 | -75.6 | -67 | 0 | 0 | 0 | 120.6 | R1230 | F1228-R1230 HydrophobicContact CD1-CB 4.47Å; F1228-R1230 HydrophobicContact CD1-CG 4.04Å; F1228-R1230 HydrophobicContact CE1-CG 4.28Å |
| 1229 | P | 31.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 118.3 Ų | 118.3 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | | | cis | -106.2 | 168.4 | 8.5 | 44.1 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 1230 | R | 28.5 | Very low | 33 | Very low | 187 Ų | 187 | 116 Ų | 116 | 71% | 0.706 | 62% | 0.621 | S | S | * | * | | | cis | 70.2 | 144.9 | 39.8 | -92.6 | -174.3 | 135.5 | -171.7 | -2.6 | 115 | F1228 | F1228-R1230 HydrophobicContact CD1-CB 4.47Å; F1228-R1230 HydrophobicContact CD1-CG 4.04Å; F1228-R1230 HydrophobicContact CE1-CG 4.28Å |
| 1231 | S | 29.3 | Very low | 32.7 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 55% | 0.545 | 62% | 0.619 | S | S | . | * | | | cis | -174.3 | 167.7 | -26.1 | 45.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1232 | T | 36.7 | Very low | 32.7 | Very low | 62 Ų | 62 | 118.5 Ų | 118.5 | 38% | 0.38 | 62% | 0.619 | S | S | . | * | | | trans | -73.9 | -169.1 | 177.1 | 11.9 | 0 | 0 | 0 | 0 | 117.2 | A382 P383 | A382-T1232 PolarHBondContact O-OG1 3.06Å; P383-T1232 WeakPolarHBondContact CD-OG1 3.41Å; P383-T1232 VanDerWaalsContact N-CG2 3.3Å; P383-T1232 WeakPolarHBondContact O-CG2 3.27Å |
| 1233 | P | 36.4 | Very low | 32.9 | Very low | 116 Ų | 116 | 115.7 Ų | 115.7 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | | | cis | -153.1 | 175.1 | 26.6 | 45.6 | -23.7 | 0 | 0 | 0 | 122.5 | | |
| 1234 | G | 30.2 | Very low | 32.7 | Very low | 45 Ų | 45 | 115.2 Ų | 115.2 | 46% | 0.464 | 62% | 0.619 | S | S | . | * | | | | 88.7 | 116.1 | 115.6 | 0 | 0 | 0 | 0 | 0 | 125.6 | A385 | A385-G1234 CarbonylContact O-C 3.52Š|
| 1235 | H | 34.9 | Very low | 32.5 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 52% | 0.523 | 63% | 0.626 | S | S | . | * | | | | 46.8 | 162.7 | 118.7 | -93.4 | 62.6 | 0 | 0 | 0 | 122.2 | P384 A385 S386 | P384-H1235 PolarHBondContact O-CE1 3.11Å; P384-H1235 PolarHBondContact O-ND1 3.46Å; A385-H1235 PolarHBondContact O-N 2.82Å; A385-H1235 PolarHBondContact O-ND1 3.41Å; S386-H1235 PolarHBondContact OG-CE1 2.94Å |
| 1236 | P | 39.3 | Very low | 32.5 | Very low | 85 Ų | 85 | 111.2 Ų | 111.2 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | | | cis | -143.4 | -170.6 | -1.2 | 42.1 | -21 | 0 | 0 | 0 | 118.8 | S387 | S387-P1236 CarbonylContact O-C 3.49Š|
| 1237 | R | 35.7 | Very low | 32.5 | Very low | 192 Ų | 192 | 108.6 Ų | 108.6 | 73% | 0.725 | 63% | 0.633 | S | S | * | * | | | trans | -50.4 | 165.4 | 166.6 | -81.9 | -160.8 | -178.8 | -126.2 | -2.5 | 117 | S387 I388 | S387-R1237 WeakPolarHBondContact OG-CG 3.49Å; S387-R1237 PolarHBondContact OG-N 3.44Å; I388-R1237 HydrophobicContact CD1-CB 4.31Å; I388-R1237 HydrophobicContact CD1-CG 3.89Å; I388-R1237 VanDerWaalsContact CG2-C 3.41Å; I388-R1237 VanDerWaalsContact CG2-CA 3.5Å |
| 1238 | P | 35.6 | Very low | 32.4 | Very low | 68 Ų | 68 | 108.6 Ų | 108.6 | 44% | 0.442 | 63% | 0.628 | S | S | . | * | | | cis | -143.2 | -170.7 | 44 | 45.1 | -25.9 | 0 | 0 | 0 | 118.4 | I388 Q389 | I388-P1238 VanDerWaalsContact CD1-C 3.45Å; I388-P1238 VanDerWaalsContact CG2-N 3.28Å; I388-P1238 WeakPolarHBondContact CG2-O 3.38Å; Q389-P1238 WeakPolarHBondContact CG-O 3.48Å; Q389-P1238 PolarHBondContact NE2-O 3.42Å; Q389-P1238 PolarHBondContact OE1-O 2.91Å |
| 1239 | M | 29.3 | Very low | 32.2 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 57% | 0.571 | 60% | 0.604 | S | S | * | * | | | trans | 70.5 | 175.1 | 149.1 | -67.4 | -102.7 | -78.5 | 0 | 0 | 120.4 | Q389 | Q389-M1239 WeakPolarHBondContact CG-O 3.19Å; Q389-M1239 PolarHBondContact OE1-O 3.36Å |
| 1240 | H | 29.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.458 | 59% | 0.592 | S | S | . | * | | | | -146.4 | 165 | -53.9 | -129.5 | -146.2 | 0 | 0 | 0 | 115.9 | Q390 | Q390-H1240 PolarHBondContact NE2-O 3.26Å; Q390-H1240 PolarHBondContact OE1-O 2.86Å |
| 1241 | Q | 28.6 | Very low | 32 | Very low | 137 Ų | 137 | 99.9 Ų | 99.9 | 64% | 0.64 | 59% | 0.589 | S | S | * | * | | | trans | 58.9 | 115.2 | 156 | -72.1 | 157.4 | 2.4 | 0 | 0 | 119.6 | | |
| 1242 | T | 32.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 103.6 Ų | 103.6 | 77% | 0.767 | 60% | 0.598 | S | S | * | * | | | | 46.5 | 147.1 | 60.2 | 74 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1243 | P | 37.4 | Very low | 31.8 | Very low | 105 Ų | 105 | 105.6 Ų | 105.6 | 68% | 0.682 | 61% | 0.612 | S | S | * | * | | | cis | -143 | -164.1 | 15.3 | 40.5 | -18.5 | 0 | 0 | 0 | 115.8 | | |
| 1244 | T | 31.2 | Very low | 31.4 | Very low | 141 Ų | 141 | 105.1 Ų | 105.1 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | | | trans | 63.5 | 138.3 | 152.9 | 45.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1245 | G | 31.6 | Very low | 31.2 | Very low | 74 Ų | 74 | 109.7 Ų | 109.7 | 76% | 0.763 | 62% | 0.621 | S | S | * | * | | | cis | 156.9 | 143.7 | -11 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1246 | G | 30.4 | Very low | 31.1 | Very low | 87 Ų | 87 | 110.3 Ų | 110.3 | 90% | 0.897 | 64% | 0.635 | S | S | * | * | | | trans | 78.8 | 152.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1247 | G | 28.5 | Very low | 30.4 | Very low | 58 Ų | 58 | 110.7 Ų | 110.7 | 60% | 0.598 | 64% | 0.639 | S | S | * | * | | | cis | -159.9 | 134.2 | -10.8 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1248 | R | 31.9 | Very low | 30 | Very low | 137 Ų | 137 | 108.3 Ų | 108.3 | 52% | 0.517 | 64% | 0.638 | S | S | . | * | | | | 63.2 | 135.9 | 88.7 | -90.8 | -163.1 | 74.9 | 169.6 | -1.8 | 112.7 | S1818 L1819 Q1820 | R1248-S1818 VanDerWaalsContact O-CA 3.26Å; R1248-S1818 WeakPolarHBondContact O-CA 3.44Å; R1248-S1818 WeakPolarHBondContact O-CB 3.25Å; R1248-L1819 VanDerWaalsContact NH2-C 3.34Å; R1248-L1819 PolarHBondContact NH2-O 3.5Å; R1248-Q1820 PolarHBondContact NH1-O 3.47Å; R1248-Q1820 PolarHBondContact NH2-O 2.89Å |
| 1249 | S | 28.3 | Very low | 29.6 | Very low | 28 Ų | 28 | 109.4 Ų | 109.4 | 20% | 0.196 | 64% | 0.638 | C | S | . | * | | | cis | -168.3 | -178.4 | 11.3 | -48.2 | 0 | 0 | 0 | 0 | 107.7 | P1816 S1817 S1818 L1819 | S1249-P1816 CarbonylContact O-C 3.52Å; S1249-S1817 CarbonylContact O-C 3.44Å; S1249-S1817 WeakPolarHBondContact O-CA 3.43Å; S1249-S1817 PolarHBondContact O-N 3.46Å; S1249-S1818 VanDerWaalsContact OG-C 3.26Å; S1249-L1819 PolarHBondContact OG-N 2.95Å |
| 1250 | Q | 29 | Very low | 29.5 | Very low | 84 Ų | 84 | 110.1 Ų | 110.1 | 39% | 0.393 | 64% | 0.64 | S | S | . | * | | | trans | 68.1 | 170.9 | 151.3 | -63.2 | 160.5 | 4.5 | 0 | 0 | 116.5 | P1816 S1818 | Q1250-P1816 CarbonylContact O-C 2.8Å; Q1250-P1816 VanDerWaalsContact O-C 3.32Å; Q1250-S1818 PolarHBondContact OE1-O 2.91Å |
| 1251 | F | 26.5 | Very low | 29.3 | Very low | 147 Ų | 147 | 114.9 Ų | 114.9 | 65% | 0.645 | 66% | 0.655 | S | S | * | * | | | cis | -139.7 | 130.9 | -42.9 | -91 | -39.5 | 0 | 0 | 0 | 105.7 | | |
| 1252 | Q | 29.7 | Very low | 29.2 | Very low | 157 Ų | 157 | 112.5 Ų | 112.5 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | | | cis | 73.1 | 144 | 49.5 | -164.4 | -166 | 15.9 | 0 | 0 | 113.4 | | |
| 1253 | P | 31.6 | Very low | 28.8 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | | | cis | -107.9 | -146.3 | -40.5 | 34.1 | -15.6 | 0 | 0 | 0 | 109.8 | | |
| 1254 | T | 27.2 | Very low | 28.3 | Very low | 105 Ų | 105 | 115.5 Ų | 115.5 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | | | | -175.1 | 154.8 | 50.6 | -32 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1255 | D | 26.5 | Very low | 28.2 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | | | trans | 42.1 | 130.4 | 159 | -64.7 | -22 | 0 | 0 | 0 | 124 | | |
| 1256 | P | 32.5 | Very low | 27.9 | Very low | 126 Ų | 126 | 117.8 Ų | 117.8 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | | | trans | -103.5 | 102.8 | 167.4 | 36.2 | -26 | 0 | 0 | 0 | 112.4 | | |
| 1257 | C | 24.8 | Very low | 28 | Very low | 93 Ų | 93 | 117 Ų | 117 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | | | trans | -144.5 | 136.5 | -178.2 | -101.9 | 0 | 0 | 0 | 0 | 116.2 | Q662 | Q662-C1257 PolarHBondContact NE2-O 3.14Š|
| 1258 | M | 27.6 | Very low | 28.6 | Very low | 143 Ų | 143 | 119.5 Ų | 119.5 | 70% | 0.704 | 65% | 0.65 | S | S | * | * | | | trans | 46.1 | 105.2 | 135 | -61 | -72.6 | -84.8 | 0 | 0 | 119.8 | Q662 | Q662-M1258 WeakPolarHBondContact CG-O 3.5Å; Q662-M1258 VanDerWaalsContact NE2-C 3.32Å; Q662-M1258 PolarHBondContact NE2-O 2.87Å |
| 1259 | M | 27.1 | Very low | 28.4 | Very low | 90 Ų | 90 | 119.9 Ų | 119.9 | 44% | 0.443 | 66% | 0.662 | S | S | . | * | | | | -173.5 | 159.1 | 129.2 | -92.1 | -134.1 | -52.7 | 0 | 0 | 110.7 | T661 Q662 | T661-M1259 VanDerWaalsContact CB-SD 3.54Å; T661-M1259 HydrophobicContact CG2-CE 4.07Å; T661-M1259 HydrophobicContact CG2-SD 3.53Å; T661-M1259 VanDerWaalsContact CG2-SD 3.53Å; Q662-M1259 HydrophobicContact CB-CB 4.06Å; Q662-M1259 HydrophobicContact CB-CE 3.73Å; Q662-M1259 HydrophobicContact CB-CG 3.83Å; Q662-M1259 HydrophobicContact CB-SD 4.4Å; Q662-M1259 HydrophobicContact CG-CB 4.23Å; Q662-M1259 HydrophobicContact CG-CG 4.27Å |
| 1260 | H | 27.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 121.4 Ų | 121.4 | 61% | 0.611 | 67% | 0.672 | S | S | * | * | | | cis | -171.3 | 154.2 | -39.6 | -146.8 | -98.8 | 0 | 0 | 0 | 108.5 | | |
| 1261 | Y | 25.7 | Very low | 28.4 | Very low | 199 Ų | 199 | 119 Ų | 119 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | | | trans | -50.3 | 151.5 | 152 | -69.4 | -97.7 | 0 | 0 | 0 | 110.8 | | |
| 1262 | S | 24.9 | Very low | 28.4 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 61% | 0.608 | 66% | 0.656 | S | S | * | * | | | cis | -162.4 | -171.2 | 19.5 | -128.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1263 | D | 25.5 | Very low | 28.6 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | trans | -33 | 175.5 | 163.1 | -46.4 | -97.1 | 0 | 0 | 0 | 119.6 | | |
| 1264 | M | 26.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 113.3 Ų | 113.3 | 79% | 0.788 | 65% | 0.648 | S | S | * | * | | | trans | 100.5 | 113.4 | 151.8 | -72.2 | -171.7 | -75.2 | 0 | 0 | 120.9 | | |
| 1265 | I | 28.1 | Very low | 28.6 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 72% | 0.723 | 65% | 0.651 | S | S | * | * | | | | 89.8 | 115.2 | 128 | -67.5 | 170.6 | 0 | 0 | 0 | 119.8 | | |
| 1266 | C | 26.7 | Very low | 28.7 | Very low | 122 Ų | 122 | 115.5 Ų | 115.5 | 82% | 0.824 | 65% | 0.649 | S | S | * | * | | | trans | 60.6 | 132.5 | 151.1 | -68.2 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1267 | G | 31.6 | Very low | 28.6 | Very low | 71 Ų | 71 | 115.8 Ų | 115.8 | 73% | 0.732 | 64% | 0.64 | S | S | * | * | | | trans | -86 | -142.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1268 | P | 41.1 | Very low | 28.8 | Very low | 111 Ų | 111 | 118.5 Ų | 118.5 | 72% | 0.721 | 64% | 0.644 | S | S | * | * | | | cis | -136.8 | -159.7 | 6.6 | 40 | -18.7 | 0 | 0 | 0 | 114.1 | | |
| 1269 | N | 28.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 78% | 0.775 | 65% | 0.646 | S | S | * | * | | | trans | 65.6 | -179.2 | 159.9 | -59.9 | -3.7 | 0 | 0 | 0 | 117.5 | | |
| 1270 | S | 28.8 | Very low | 29.1 | Very low | 59 Ų | 59 | 115.7 Ų | 115.7 | 41% | 0.413 | 66% | 0.657 | S | S | . | * | | | | -174.9 | 153.7 | -64.3 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | T637 S638 | T637-S1270 VanDerWaalsContact O-CB 3.25Å; T637-S1270 WeakPolarHBondContact O-CB 3.28Å; T637-S1270 WeakPolarHBondContact OG1-CB 3.49Å; T637-S1270 PolarHBondContact OG1-OG 3.49Å; S638-S1270 WeakPolarHBondContact O-CA 3.29Å |
| 1271 | G | 27.3 | Very low | 29.1 | Very low | 34 Ų | 34 | 116.8 Ų | 116.8 | 35% | 0.351 | 67% | 0.667 | S | S | . | * | | | cis | 166.4 | -151.3 | -3.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T637 S638 S639 | T637-G1271 PolarHBondContact OG1-N 3.35Å; S638-G1271 VanDerWaalsContact N-CA 3.26Å; S638-G1271 WeakPolarHBondContact O-CA 3.27Å; S639-G1271 VanDerWaalsContact OG-C 3.25Å |
| 1272 | Q | 26.5 | Very low | 29.4 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 35% | 0.346 | 67% | 0.67 | S | S | . | * | | | cis | -147.4 | 169.9 | -5.5 | -157.5 | 178.8 | -111.6 | 0 | 0 | 114.4 | M636 T637 S638 S639 | M636-Q1272 VanDerWaalsContact CA-OE1 3.25Å; T637-Q1272 VanDerWaalsContact CA-OE1 3.3Å; T637-Q1272 HydrophobicContact CG2-CB 3.51Å; T637-Q1272 HydrophobicContact CG2-CG 4.35Å; S638-Q1272 VanDerWaalsContact OG-CA 3.25Å; S638-Q1272 WeakPolarHBondContact OG-CA 3.38Å; S639-Q1272 WeakPolarHBondContact OG-CA 3.35Å; S639-Q1272 PolarHBondContact OG-N 3.48Å; S639-Q1272 VanDerWaalsContact OG-N 3.14Å |
| 1273 | I | 34.3 | Very low | 29.5 | Very low | 112 Ų | 112 | 118 Ų | 118 | 57% | 0.574 | 68% | 0.677 | S | S | * | * | | | trans | -51.6 | 126.1 | 145.8 | -56.2 | 149.9 | 0 | 0 | 0 | 111.8 | S638 I1275 | S638-I1273 PolarHBondContact OG-N 3.44Å; I1273-I1275 HydrophobicContact CG2-CD1 4.47Å; I1273-I1275 HydrophobicContact CG2-CG1 4.17Å |
| 1274 | P | 31.7 | Very low | 29.8 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | | | | -130.6 | 145.5 | 93.7 | 6.2 | 17.1 | 0 | 0 | 0 | 112.2 | | |
| 1275 | I | 28.6 | Very low | 29.9 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 71% | 0.708 | 68% | 0.678 | S | S | * | * | | | | 55.6 | 110.2 | 78.9 | -51.5 | 163.9 | 0 | 0 | 0 | 112.3 | I1273 | I1273-I1275 HydrophobicContact CG2-CD1 4.47Å; I1273-I1275 HydrophobicContact CG2-CG1 4.17Å |
| 1276 | E | 28.7 | Very low | 30 | Very low | 153 Ų | 153 | 118.9 Ų | 118.9 | 72% | 0.715 | 68% | 0.677 | S | S | * | * | | | | -166.7 | 133.7 | 118.5 | -98.2 | -163.2 | 149.7 | 0 | 0 | 108.3 | | |
| 1277 | Q | 28.6 | Very low | 30.2 | Very low | 133 Ų | 133 | 119.1 Ų | 119.1 | 62% | 0.621 | 67% | 0.67 | S | S | * | * | | | | 64.4 | 147.5 | 90.9 | -62.3 | -167 | 66.5 | 0 | 0 | 113.3 | | |
| 1278 | Q | 29.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 121.1 Ų | 121.1 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | | | cis | -163.8 | 144.1 | 15.8 | -142 | 174.6 | 45.7 | 0 | 0 | 112.7 | | |
| 1279 | S | 29 | Very low | 29.4 | Very low | 109 Ų | 109 | 121.5 Ų | 121.5 | 76% | 0.762 | 66% | 0.663 | S | S | * | * | | | trans | 59.3 | 177.9 | 141.4 | 75.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1280 | G | 31.3 | Very low | 29.4 | Very low | 65 Ų | 65 | 117.7 Ų | 117.7 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | | | trans | 109.6 | 55.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1281 | N | 29.5 | Very low | 29.3 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 82% | 0.824 | 66% | 0.663 | S | S | * | * | | | | 62 | 155.1 | 78.2 | -90.4 | 5.9 | 0 | 0 | 0 | 116.2 | | |
| 1282 | M | 30.8 | Very low | 29.4 | Very low | 169 Ų | 169 | 130 Ų | 130 | 83% | 0.833 | 68% | 0.681 | S | S | * | * | | | trans | 82.9 | 89.5 | 174.4 | -53.9 | -173.9 | -64.1 | 0 | 0 | 115.6 | | |
| 1283 | D | 27.7 | Very low | 29.4 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | | | | -0.2 | 140.1 | 118.1 | -47.5 | -105.8 | 0 | 0 | 0 | 115.7 | | |
| 1284 | M | 30.7 | Very low | 29.4 | Very low | 160 Ų | 160 | 131 Ų | 131 | 79% | 0.788 | 72% | 0.719 | S | S | * | * | | | | -170.7 | 125.7 | 104.7 | -104.5 | 178.9 | -163.5 | 0 | 0 | 114.2 | | |
| 1285 | M | 29.5 | Very low | 29.5 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 72% | 0.724 | 73% | 0.727 | S | S | * | * | | | | 60.4 | 139.1 | 129.4 | -95.2 | -166.7 | -68.1 | 0 | 0 | 122.2 | | |
| 1286 | M | 30.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 70% | 0.704 | 73% | 0.727 | S | S | * | * | | | trans | 81.9 | 104.7 | 145.1 | -60.7 | -87.3 | -82.4 | 0 | 0 | 116.3 | | |
| 1287 | L | 29.5 | Very low | 29.9 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | | | | 78.3 | 129.4 | 60.6 | -175.9 | 119.5 | 0 | 0 | 0 | 111.2 | | |
| 1288 | V | 29.3 | Very low | 30 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | trans | 76.1 | 136.9 | 154.3 | 126.1 | 0 | 0 | 0 | 0 | 114 | | |
| 1289 | N | 27.5 | Very low | 30.2 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -169 | 170.1 | 9.9 | -147.4 | -27.1 | 0 | 0 | 0 | 113.1 | | |
| 1290 | S | 27.5 | Very low | 30.6 | Very low | 65 Ų | 65 | 128 Ų | 128 | 46% | 0.455 | 74% | 0.739 | S | S | . | * | | | | 75.6 | 122 | 128.8 | -81.3 | 0 | 0 | 0 | 0 | 123.5 | | |
| 1291 | R | 27.1 | Very low | 30.7 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | | 99.6 | 99.4 | 114.8 | -72.6 | 171.3 | -149.7 | -139.1 | 0.8 | 120.4 | | |
| 1292 | H | 29.7 | Very low | 31 | Very low | 161 Ų | 161 | 129.9 Ų | 129.9 | 75% | 0.745 | 73% | 0.732 | S | S | * | * | | | | 86.6 | 148 | 109 | -67 | -9.9 | 0 | 0 | 0 | 121 | | |
| 1293 | S | 26.7 | Very low | 31.1 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 90% | 0.902 | 73% | 0.732 | S | S | * | * | | | trans | 80.9 | 140.7 | 155.2 | 76.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1294 | G | 34.2 | Very low | 31.4 | Very low | 78 Ų | 78 | 128.9 Ų | 128.9 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | | | trans | 136.4 | 60.7 | 176 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1295 | T | 33.7 | Very low | 31.4 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | | | trans | -65 | 159 | 154.7 | 41.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1296 | P | 37.1 | Very low | 31.5 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 73% | 0.734 | S | S | * | * | | | cis | -150.6 | 173.6 | 36.2 | 45.4 | -25.7 | 0 | 0 | 0 | 119.2 | | |
| 1297 | K | 29.1 | Very low | 31.4 | Very low | 197 Ų | 197 | 123.1 Ų | 123.1 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | | | trans | 34.7 | 141.1 | 136.2 | -68.4 | -177.1 | 178.2 | -178.4 | 0 | 121.3 | | |
| 1298 | S | 30.3 | Very low | 31.4 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | | | cis | -172.3 | 160 | 0.6 | 44.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1299 | S | 34.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | 63.3 | 127.6 | 140.3 | 60.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1300 | G | 36.3 | Very low | 31.5 | Very low | 68 Ų | 68 | 123.9 Ų | 123.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | trans | 119.8 | 65.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1301 | E | 33.8 | Very low | 31.3 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | | 46.5 | 140.1 | 51.5 | -94.5 | -147.5 | -160.8 | 0 | 0 | 114.7 | | |
| 1302 | P | 36.9 | Very low | 31.1 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 53% | 0.532 | 77% | 0.77 | S | S | . | * | | | cis | -143 | 179.3 | -14.3 | 30.7 | -7.2 | 0 | 0 | 0 | 116.6 | | |
| 1303 | F | 30.9 | Very low | 30.8 | Very low | 188 Ų | 188 | 120.4 Ų | 120.4 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | 90.1 | 139.4 | 154.1 | -62.2 | -49.4 | 0 | 0 | 0 | 121.2 | | |
| 1304 | P | 34.6 | Very low | 30.6 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | | -150.8 | -143.4 | -128.5 | 42.4 | -17 | 0 | 0 | 0 | 113.2 | | |
| 1305 | S | 31.2 | Very low | 30.1 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | | | trans | 74.7 | 147.7 | 160.4 | -61.1 | 0 | 0 | 0 | 0 | 117 | | |
| 1306 | G | 31.1 | Very low | 29.8 | Very low | 78 Ų | 78 | 120.2 Ų | 120.2 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 149.2 | 10.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1307 | T | 28.1 | Very low | 29.3 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 80% | 0.798 | 75% | 0.745 | S | S | * | * | | | trans | -67.7 | 169.3 | 168.4 | 34.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1308 | I | 29.5 | Very low | 29.3 | Very low | 150 Ų | 150 | 116.5 Ų | 116.5 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 98.4 | 87 | 168.2 | -50.1 | 159.6 | 0 | 0 | 0 | 116 | | |
| 1309 | S | 25.8 | Very low | 29.2 | Very low | 110 Ų | 110 | 120.1 Ų | 120.1 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | | 64 | -169.6 | 126.6 | -39.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1310 | P | 33.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 75% | 0.747 | 75% | 0.745 | S | S | * | * | | | | -124.8 | -174 | -122.8 | 27.6 | -2.3 | 0 | 0 | 0 | 115.2 | | |
| 1311 | S | 23.2 | Very low | 28.7 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | | | trans | 90.1 | 154.3 | 166.5 | 81.2 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1312 | V | 23.2 | Very low | 28.5 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | | | trans | 42.6 | 113.5 | 166.2 | -74.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1313 | S | 23 | Very low | 28.4 | Very low | 105 Ų | 105 | 123.3 Ų | 123.3 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | | | | 89.9 | 155 | 121.7 | -161 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1314 | C | 22.8 | Very low | 28.2 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 66% | 0.655 | 75% | 0.746 | S | S | * | * | | | trans | 45.5 | 108 | 153.5 | 61.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1315 | S | 24.5 | Very low | 28.3 | Very low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | | | | 96.3 | 135.4 | 116.2 | -67.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1316 | I | 26.9 | Very low | 28.2 | Very low | 142 Ų | 142 | 121.2 Ų | 121.2 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | | | | 34.2 | 111 | 126.3 | -34.3 | 160.7 | 0 | 0 | 0 | 113.5 | | |
| 1317 | S | 26.5 | Very low | 28.1 | Very low | 93 Ų | 93 | 122.1 Ų | 122.1 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | | | | -168.7 | 154.8 | 79.6 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1318 | N | 28 | Very low | 28.1 | Very low | 135 Ų | 135 | 122.2 Ų | 122.2 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | | | | 30.8 | 147.1 | 125.3 | -47.9 | -32.5 | 0 | 0 | 0 | 118.9 | | |
| 1319 | L | 28.6 | Very low | 28.1 | Very low | 172 Ų | 172 | 119.9 Ų | 119.9 | 90% | 0.901 | 73% | 0.726 | S | S | * | * | | | cis | -152 | 158.1 | 42.6 | -94.6 | 91.8 | 0 | 0 | 0 | 112.1 | | |
| 1320 | G | 28.4 | Very low | 28.3 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 72% | 0.721 | S | S | * | * | | | trans | 114.1 | 116.6 | 152.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1321 | S | 31.4 | Very low | 28.3 | Very low | 102 Ų | 102 | 124.4 Ų | 124.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | cis | -154 | 133.7 | -3.7 | -112 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1322 | R | 30.9 | Very low | 29.4 | Very low | 214 Ų | 214 | 122.6 Ų | 122.6 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | | | trans | 75.9 | 108.6 | 138 | -67.2 | 174.1 | 178.7 | -121.6 | -4.1 | 119.7 | | |
| 1323 | T | 33.4 | Very low | 30.3 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | | | | 92.5 | 138.2 | 119.2 | 52.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1324 | S | 28.1 | Very low | 30.7 | Very low | 88 Ų | 88 | 123.2 Ų | 123.2 | 62% | 0.615 | 72% | 0.716 | S | S | * | * | | | cis | 179.2 | 165 | -26.5 | 44.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1325 | L | 35 | Very low | 31 | Very low | 150 Ų | 150 | 125.5 Ų | 125.5 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | 75.8 | 114.1 | 166.1 | -51 | -176.3 | 0 | 0 | 0 | 113.4 | | |
| 1326 | N | 30.6 | Very low | 31.4 | Very low | 130 Ų | 130 | 127 Ų | 127 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | cis | 64.4 | 120.7 | 35.7 | -163.3 | 22.7 | 0 | 0 | 0 | 113.2 | | |
| 1327 | C | 27.5 | Very low | 31.6 | Very low | 97 Ų | 97 | 130.2 Ų | 130.2 | 66% | 0.655 | 73% | 0.726 | S | S | * | * | | | | 178 | 119.1 | 115.7 | -97.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1328 | N | 29 | Very low | 32.2 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | trans | 75.9 | 133.1 | 134 | -79.5 | -7.1 | 0 | 0 | 0 | 121.8 | | |
| 1329 | T | 29.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | | | cis | 131.1 | 99.5 | 15.8 | -85.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1330 | N | 29.9 | Very low | 32.6 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 66% | 0.658 | 70% | 0.702 | S | S | * | * | | | | 88.2 | 164.7 | 117.2 | -156.1 | 15.2 | 0 | 0 | 0 | 120.8 | | |
| 1331 | Y | 34.5 | Very low | 32.8 | Very low | 198 Ų | 198 | 122.4 Ų | 122.4 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | | | trans | 81.4 | 113.5 | 173.2 | -61.7 | -76.6 | 0 | 0 | 0 | 118.3 | | |
| 1332 | G | 46.4 | Very low | 32.6 | Very low | 69 Ų | 69 | 121.4 Ų | 121.4 | 71% | 0.711 | 67% | 0.67 | S | S | * | * | | | trans | -80.7 | -144.8 | 150 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1333 | P | 42 | Very low | 32.5 | Very low | 114 Ų | 114 | 116.2 Ų | 116.2 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | | | cis | -132.7 | -156.3 | 20.3 | 33.7 | -10.1 | 0 | 0 | 0 | 112.7 | | |
| 1334 | I | 31.5 | Very low | 32.1 | Very low | 136 Ų | 136 | 116.3 Ų | 116.3 | 70% | 0.697 | 66% | 0.658 | S | S | * | * | | | trans | 76.8 | 121.6 | 159.8 | -62.5 | 161.1 | 0 | 0 | 0 | 117.3 | | |
| 1335 | N | 28.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 120.7 Ų | 120.7 | 77% | 0.77 | 67% | 0.666 | S | S | * | * | | | trans | 70.1 | 158.8 | 159.1 | -64.4 | -12.1 | 0 | 0 | 0 | 121 | | |
| 1336 | N | 33.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 118.7 Ų | 118.7 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | | | trans | 73.7 | 95.6 | 161.7 | -73.2 | -0 | 0 | 0 | 0 | 121 | | |
| 1337 | Y | 30.5 | Very low | 31.5 | Very low | 208 Ų | 208 | 119.3 Ų | 119.3 | 82% | 0.816 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 62.9 | 156.6 | 141.2 | -58 | -80.3 | 0 | 0 | 0 | 120.3 | N1339 | Y1337-N1339 PolarHBondContact O-N 2.94Š|
| 1338 | G | 39 | Very low | 31.5 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | | | trans | 93.5 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N1340 | G1338-N1340 PolarHBondContact O-N 2.91Š|
| 1339 | N | 28.8 | Very low | 31.8 | Very low | 68 Ų | 68 | 122.1 Ų | 122.1 | 36% | 0.364 | 67% | 0.666 | S | S | . | * | | | trans | 36.3 | 77.8 | 131 | -124.8 | 16.9 | 0 | 0 | 0 | 117.6 | Y1337 Q1965 Q1966 | Y1337-N1339 PolarHBondContact O-N 2.94Å; N1339-Q1965 PolarHBondContact OD1-O 3.27Å; N1339-Q1965 VanDerWaalsContact OD1-O 3.11Å; N1339-Q1966 CarbonylContact C-O 3.44Å; N1339-Q1966 VanDerWaalsContact C-O 3.26Å; N1339-Q1966 WeakPolarHBondContact CB-O 3.28Å; N1339-Q1966 PolarHBondContact ND2-O 3.3Å; N1339-Q1966 PolarHBondContact OD1-N 3.4Å; N1339-Q1966 PolarHBondContact OD1-O 2.74Å |
| 1340 | N | 35.3 | Very low | 32 | Very low | 108 Ų | 108 | 121.5 Ų | 121.5 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | | | | 40.5 | 168.6 | 112.2 | -105.2 | -36.8 | 0 | 0 | 0 | 120.9 | G1338 S1964 Q1965 Q1966 | G1338-N1340 PolarHBondContact O-N 2.91Å; N1340-S1964 VanDerWaalsContact CG-O 3.28Å; N1340-S1964 PolarHBondContact ND2-O 3.21Å; N1340-S1964 VanDerWaalsContact ND2-O 3.11Å; N1340-Q1965 VanDerWaalsContact CB-C 3.41Å; N1340-Q1965 VanDerWaalsContact CB-O 3.22Å; N1340-Q1965 WeakPolarHBondContact CB-O 3.22Å; N1340-Q1966 CarbonylContact O-C 3.43Å |
| 1341 | P | 34.3 | Very low | 31.9 | Very low | 50 Ų | 50 | 120.3 Ų | 120.3 | 33% | 0.325 | 65% | 0.65 | S | S | . | * | | | cis | -153.9 | -149.5 | 1.7 | 27.6 | 3.5 | 0 | 0 | 0 | 114.4 | | |
| 1342 | N | 26.2 | Very low | 31.7 | Very low | 82 Ų | 82 | 115.3 Ų | 115.3 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | | | trans | 78.8 | 146.8 | 146.6 | -67.5 | -14.8 | 0 | 0 | 0 | 116 | H1963 Q1965 | N1342-H1963 PolarHBondContact OD1-CE1 3.25Å; N1342-H1963 PolarHBondContact OD1-ND1 2.95Å; N1342-Q1965 PolarHBondContact ND2-OE1 2.9Å |
| 1343 | T | 28.9 | Very low | 30.8 | Very low | 104 Ų | 104 | 115.9 Ų | 115.9 | 64% | 0.638 | 62% | 0.619 | S | S | * | * | | | cis | -156.9 | 168.1 | -3 | 3.5 | 0 | 0 | 0 | 0 | 109.8 | K1345 H1963 | T1343-K1345 PolarHBondContact O-N 3.29Å; T1343-H1963 VanDerWaalsContact CG2-CE1 3.43Å; T1343-H1963 WeakPolarHBondContact CG2-CE1 3.36Å |
| 1344 | N | 25.2 | Very low | 30.8 | Very low | 129 Ų | 129 | 112.6 Ų | 112.6 | 69% | 0.69 | 60% | 0.599 | S | S | * | * | | | trans | -51.8 | 131.9 | 152.7 | -35.7 | -87.2 | 0 | 0 | 0 | 110.6 | H1963 | N1344-H1963 PolarHBondContact ND2-NE2 3.11Š|
| 1345 | K | 27.1 | Very low | 30.8 | Very low | 180 Ų | 180 | 111.2 Ų | 111.2 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | | | trans | 175.7 | 157.4 | 143.9 | -103.7 | 177.3 | 179 | -171 | 0 | 112.4 | T1343 | T1343-K1345 PolarHBondContact O-N 3.29Š|
| 1346 | P | 26.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 70% | 0.695 | 59% | 0.591 | S | S | * | * | | | trans | -79.1 | -175.3 | 159.6 | 36.4 | -36.6 | 0 | 0 | 0 | 111.8 | | |
| 1347 | M | 27 | Very low | 30.9 | Very low | 144 Ų | 144 | 109.6 Ų | 109.6 | 71% | 0.709 | 59% | 0.588 | S | S | * | * | | | trans | 94.7 | 139.1 | 171.6 | -54 | 178.1 | -67.7 | 0 | 0 | 117.4 | | |
| 1348 | N | 28.1 | Very low | 31 | Very low | 137 Ų | 137 | 106.7 Ų | 106.7 | 73% | 0.733 | 58% | 0.583 | S | S | * | * | | | trans | 67.4 | 121.9 | 153.5 | -64.1 | -22.7 | 0 | 0 | 0 | 120.7 | | |
| 1349 | H | 36.1 | Very low | 30.6 | Very low | 150 Ų | 150 | 106.3 Ų | 106.3 | 69% | 0.694 | 58% | 0.579 | S | S | * | * | | | | 22.2 | 147.8 | 103.4 | -76 | -99.1 | 0 | 0 | 0 | 118.4 | | |
| 1350 | P | 33.5 | Very low | 30.9 | Very low | 88 Ų | 88 | 109.2 Ų | 109.2 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | | | cis | -149.1 | -157.5 | -21.2 | 44.2 | -24.4 | 0 | 0 | 0 | 113.3 | | |
| 1351 | Y | 28.2 | Very low | 30.7 | Very low | 98 Ų | 98 | 110.2 Ų | 110.2 | 38% | 0.384 | 61% | 0.607 | S | S | . | * | | | trans | 76.5 | 130.2 | 159.8 | -86.4 | -129.3 | 0 | 0 | 0 | 116.9 | V898 G899 T900 | V898-Y1351 HydrophobicContact CB-CE1 4.37Å; V898-Y1351 HydrophobicContact CG1-CE1 4.24Å; V898-Y1351 HydrophobicContact CG2-CE1 4.25Å; G899-Y1351 WeakPolarHBondContact CA-OH 3.46Å; G899-Y1351 PolarHBondContact N-OH 3.33Å; G899-Y1351 PolarHBondContact O-OH 2.6Å; T900-Y1351 HydrophobicContact CG2-CD1 4.23Å; T900-Y1351 HydrophobicContact CG2-CD2 4.11Å; T900-Y1351 HydrophobicContact CG2-CE1 3.71Å; T900-Y1351 HydrophobicContact CG2-CE2 3.58Å; T900-Y1351 HydrophobicContact CG2-CG 4.43Å; T900-Y1351 PolarHBondContact N-OH 3.26Å; T900-Y1351 WeakPolarHBondContact OG1-CE1 3.38Å; T900-Y1351 PolarHBondContact OG1-OH 3.17Å |
| 1352 | F | 28.9 | Very low | 30.6 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 41% | 0.408 | 62% | 0.623 | S | S | . | * | | | | 77 | 141.1 | 58 | -89.8 | -26.8 | 0 | 0 | 0 | 114.1 | T897 V898 | T897-F1352 HydrophobicContact CG2-CB 3.84Å; T897-F1352 HydrophobicContact CG2-CD1 3.24Å; T897-F1352 HydrophobicContact CG2-CD2 4.39Å; T897-F1352 HydrophobicContact CG2-CE1 3.77Å; T897-F1352 HydrophobicContact CG2-CG 3.61Å; V898-F1352 VanDerWaalsContact N-CE2 3.28Å |
| 1353 | N | 28.6 | Very low | 30.6 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | | | trans | 90.3 | 106.9 | 166.6 | -71.6 | 84.7 | 0 | 0 | 0 | 120.4 | E896 T897 V898 | E896-N1353 WeakPolarHBondContact OE2-CA 2.99Å; T897-N1353 WeakPolarHBondContact CB-OD1 3.44Å; T897-N1353 HydrophobicContact CG2-CB 4.42Å; T897-N1353 WeakPolarHBondContact CG2-OD1 3.49Å; T897-N1353 PolarHBondContact OG1-ND2 3.25Å; T897-N1353 PolarHBondContact OG1-OD1 3.14Å; V898-N1353 WeakPolarHBondContact CG2-OD1 3.48Å |
| 1354 | S | 41 | Very low | 30.5 | Very low | 44 Ų | 44 | 115 Ų | 115 | 31% | 0.308 | 64% | 0.64 | S | S | . | * | | | | 66.4 | 151.1 | 112.9 | -106.3 | 0 | 0 | 0 | 0 | 121.3 | E896 D1356 | E896-S1354 WeakPolarHBondContact OE2-CA 3.39Å; E896-S1354 WeakPolarHBondContact OE2-CB 3.4Å; E896-S1354 PolarHBondContact OE2-N 2.96Å; E896-S1354 PolarHBondContact OE2-OG 2.92Å; S1354-D1356 PolarHBondContact OG-N 2.7Å; S1354-D1356 VanDerWaalsContact OG-N 3.11Å |
| 1355 | P | 32.4 | Very low | 30.6 | Very low | 107 Ų | 107 | 115.6 Ų | 115.6 | 70% | 0.695 | 64% | 0.642 | S | S | * | * | | | | -123.8 | 128.7 | 68.3 | 8.9 | 13.7 | 0 | 0 | 0 | 116.3 | | |
| 1356 | D | 29.7 | Very low | 30.6 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 60% | 0.599 | 64% | 0.639 | S | S | * | * | | | | 30.8 | 113.8 | 119.8 | -68.1 | -68.9 | 0 | 0 | 0 | 118.8 | S1354 | S1354-D1356 PolarHBondContact OG-N 2.7Å; S1354-D1356 VanDerWaalsContact OG-N 3.11Å |
| 1357 | M | 33.7 | Very low | 30.7 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | | | trans | -120 | 106.3 | 133 | -86.8 | -72.8 | 122.1 | 0 | 0 | 109.4 | K1978 | M1357-K1978 VanDerWaalsContact SD-CE 3.56Š|
| 1358 | M | 33.9 | Very low | 30.7 | Very low | 147 Ų | 147 | 117.1 Ų | 117.1 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | | | trans | -31.4 | 144.6 | 171.4 | -63.2 | 166.6 | -85.8 | 0 | 0 | 114.9 | | |
| 1359 | G | 30.1 | Very low | 31 | Very low | 72 Ų | 72 | 115.8 Ų | 115.8 | 74% | 0.742 | 64% | 0.639 | S | S | * | * | | | trans | -73.6 | -142.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1360 | P | 35.6 | Very low | 30.6 | Very low | 130 Ų | 130 | 113 Ų | 113 | 84% | 0.844 | 63% | 0.632 | S | S | * | * | | | | -133.1 | 164.4 | 57.9 | 42.5 | -31.7 | 0 | 0 | 0 | 116.3 | | |
| 1361 | N | 30.3 | Very low | 30.5 | Very low | 128 Ų | 128 | 112 Ų | 112 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | | | trans | -60.5 | 178.5 | 153.2 | -137.8 | 32.7 | 0 | 0 | 0 | 109.7 | D1363 | N1361-D1363 PolarHBondContact ND2-OD2 2.73Š|
| 1362 | P | 31.6 | Very low | 30.7 | Very low | 101 Ų | 101 | 108.7 Ų | 108.7 | 66% | 0.656 | 62% | 0.617 | S | S | * | * | | | cis | -141 | 177.5 | 13.1 | 43.7 | -24.6 | 0 | 0 | 0 | 118.2 | S1364 | P1362-S1364 PolarHBondContact O-N 3.5Š|
| 1363 | D | 26.7 | Very low | 30.8 | Very low | 128 Ų | 128 | 106.3 Ų | 106.3 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | | | trans | -19.2 | 121.8 | 145.7 | -50.4 | -93.2 | 0 | 0 | 0 | 115.5 | N1361 | N1361-D1363 PolarHBondContact ND2-OD2 2.73Š|
| 1364 | S | 27.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 106.4 Ų | 106.4 | 76% | 0.762 | 62% | 0.615 | S | S | * | * | | | trans | -142 | 103.8 | 144.3 | 41.2 | 0 | 0 | 0 | 0 | 108.2 | P1362 | P1362-S1364 PolarHBondContact O-N 3.5Š|
| 1365 | I | 26.3 | Very low | 31 | Very low | 141 Ų | 141 | 107.5 Ų | 107.5 | 72% | 0.723 | 62% | 0.621 | S | S | * | * | | | | 67.1 | 95.2 | 82.6 | -65.2 | 173.6 | 0 | 0 | 0 | 111.3 | | |
| 1366 | T | 26.3 | Very low | 30.9 | Very low | 119 Ų | 119 | 106.1 Ų | 106.1 | 73% | 0.73 | 61% | 0.614 | S | S | * | * | | | trans | 74.6 | 179.2 | 146.1 | -50.2 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1367 | M | 29 | Very low | 31 | Very low | 137 Ų | 137 | 106.8 Ų | 106.8 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | | | trans | 72.9 | 94.7 | -174.3 | -51.4 | -53.5 | -173 | 0 | 0 | 113.4 | | |
| 1368 | R | 27.7 | Very low | 31 | Very low | 207 Ų | 207 | 108.4 Ų | 108.4 | 78% | 0.781 | 63% | 0.628 | S | S | * | * | | | | 79.3 | 146.9 | 71.8 | -82.1 | -173.3 | 178.1 | 166.6 | -5.6 | 112.4 | | |
| 1369 | T | 33.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 108.7 Ų | 108.7 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | | | trans | 49.8 | 107.1 | 148.9 | 54.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1370 | T | 28.3 | Very low | 30.8 | Very low | 90 Ų | 90 | 111.2 Ų | 111.2 | 55% | 0.552 | 62% | 0.623 | S | S | * | * | | | | 48.2 | 137.6 | 74.1 | 77.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1371 | P | 32 | Very low | 30.7 | Very low | 69 Ų | 69 | 109.3 Ų | 109.3 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | | | cis | -138.3 | -173.5 | 22.7 | 41.6 | -21 | 0 | 0 | 0 | 114.3 | N1626 L2123 | P1371-N1626 HydrophobicContact CB-CB 4.32Å; P1371-L2123 HydrophobicContact CG-CD1 4.22Å |
| 1372 | S | 30.8 | Very low | 30.7 | Very low | 27 Ų | 27 | 107.2 Ų | 107.2 | 19% | 0.189 | 60% | 0.604 | C | S | . | * | | | trans | 87.5 | 131.3 | 134.5 | 97.7 | 0 | 0 | 0 | 0 | 121.7 | N1624 N1625 L2123 N2124 | S1372-N1624 VanDerWaalsContact C-CB 3.43Å; S1372-N1624 VanDerWaalsContact C-ND2 3.3Å; S1372-N1624 VanDerWaalsContact CA-C 3.5Å; S1372-N1624 VanDerWaalsContact CB-C 3.47Å; S1372-N1625 VanDerWaalsContact CA-N 3.28Å; S1372-N1625 WeakPolarHBondContact CA-O 3.34Å; S1372-N1625 PolarHBondContact N-O 3.34Å; S1372-N1625 PolarHBondContact O-ND2 3.06Å; S1372-L2123 WeakPolarHBondContact CB-O 3.43Å; S1372-L2123 PolarHBondContact OG-O 3.19Å; S1372-N2124 PolarHBondContact OG-O 3.41Å |
| 1373 | S | 32.7 | Very low | 30.6 | Very low | 44 Ų | 44 | 104.9 Ų | 104.9 | 31% | 0.308 | 59% | 0.594 | S | S | . | * | | | trans | -95.6 | -142.7 | -152.9 | 65.7 | 0 | 0 | 0 | 0 | 125.3 | N1624 N1625 | S1373-N1624 VanDerWaalsContact C-ND2 3.35Å; S1373-N1624 WeakPolarHBondContact CA-OD1 3.26Å; S1373-N1624 WeakPolarHBondContact CB-OD1 3.43Å; S1373-N1624 PolarHBondContact N-ND2 2.82Å; S1373-N1624 PolarHBondContact N-OD1 3.01Å; S1373-N1624 PolarHBondContact O-ND2 3.5Å; S1373-N1624 PolarHBondContact O-OD1 2.84Å; S1373-N1624 WeakPolarHBondContact OG-CA 3.38Å; S1373-N1624 PolarHBondContact OG-OD1 2.79Å; S1373-N1625 VanDerWaalsContact CA-ND2 3.33Å; S1373-N1625 WeakPolarHBondContact CA-ND2 3.41Å; S1373-N1625 WeakPolarHBondContact CA-OD1 3.41Å; S1373-N1625 WeakPolarHBondContact CB-OD1 3Å; S1373-N1625 PolarHBondContact N-ND2 3.45Å; S1373-N1625 VanDerWaalsContact N-ND2 3.11Å; S1373-N1625 PolarHBondContact OG-N 3.46Å |
| 1374 | T | 38.3 | Very low | 30.7 | Very low | 82 Ų | 82 | 102.7 Ų | 102.7 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | | | trans | 45.3 | 152.8 | 150.9 | 20.5 | 0 | 0 | 0 | 0 | 122.7 | N1623 N1624 | T1374-N1623 WeakPolarHBondContact CB-OD1 3.32Å; T1374-N1623 PolarHBondContact O-ND2 3.33Å; T1374-N1623 VanDerWaalsContact O-ND2 3.15Å; T1374-N1623 VanDerWaalsContact OG1-CG 3.27Å; T1374-N1623 PolarHBondContact OG1-OD1 3.27Å; T1374-N1624 PolarHBondContact N-OD1 2.76Å; T1374-N1624 PolarHBondContact OG1-OD1 3.02Å |
| 1375 | P | 35.3 | Very low | 30.8 | Very low | 67 Ų | 67 | 103.1 Ų | 103.1 | 44% | 0.435 | 58% | 0.582 | S | S | . | * | | | cis | -140.8 | -162.3 | 49.1 | 49.4 | -34.1 | 0 | 0 | 0 | 118.5 | H2126 S2127 | P1375-H2126 WeakPolarHBondContact CB-O 3.2Å; P1375-H2126 WeakPolarHBondContact CG-O 2.9Å; P1375-S2127 VanDerWaalsContact CB-O 3.3Å; P1375-S2127 WeakPolarHBondContact CB-O 2.89Å; P1375-S2127 VanDerWaalsContact CG-O 3.29Å; P1375-S2127 WeakPolarHBondContact CG-O 3.47Å |
| 1376 | C | 29.5 | Very low | 31 | Very low | 79 Ų | 79 | 99.4 Ų | 99.4 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | | | trans | -24.1 | 138.3 | 169.9 | -53.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1377 | T | 32.7 | Very low | 31.1 | Very low | 125 Ų | 125 | 98.7 Ų | 98.7 | 77% | 0.767 | 57% | 0.572 | S | S | * | * | | | cis | 80.4 | 141.2 | 26.8 | -33.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1378 | Q | 32.1 | Very low | 31.3 | Very low | 166 Ų | 166 | 100.2 Ų | 100.2 | 78% | 0.776 | 58% | 0.582 | S | S | * | * | | | trans | 95.1 | 109.9 | 172.5 | -51.3 | -147.7 | -11.9 | 0 | 0 | 115.6 | | |
| 1379 | H | 30.3 | Very low | 31.6 | Very low | 152 Ų | 152 | 93.5 Ų | 93.5 | 70% | 0.704 | 57% | 0.571 | S | S | * | * | | | | 73.4 | 138.8 | 83.9 | -70.8 | -74.2 | 0 | 0 | 0 | 112.1 | | |
| 1380 | L | 31 | Very low | 31.6 | Very low | 125 Ų | 125 | 95.8 Ų | 95.8 | 65% | 0.654 | 57% | 0.567 | S | S | * | * | | | cis | -141.8 | 137.7 | 32.6 | -71.9 | 159.8 | 0 | 0 | 0 | 109.8 | | |
| 1381 | T | 33.6 | Very low | 32 | Very low | 91 Ų | 91 | 98.1 Ų | 98.1 | 56% | 0.558 | 58% | 0.576 | S | S | * | * | | | | 81.9 | 109.8 | 66.8 | -55.3 | 0 | 0 | 0 | 0 | 114.5 | T1586 | T1381-T1586 WeakPolarHBondContact O-CG2 3.4Š|
| 1382 | S | 29.6 | Very low | 31.9 | Very low | 83 Ų | 83 | 97.3 Ų | 97.3 | 58% | 0.58 | 57% | 0.571 | S | S | * | * | | | trans | 57.8 | 172.7 | 168.2 | 43.3 | 0 | 0 | 0 | 0 | 118.2 | T1586 | S1382-T1586 VanDerWaalsContact C-OG1 3.27Å; S1382-T1586 WeakPolarHBondContact O-CG2 3.49Å; S1382-T1586 PolarHBondContact O-OG1 3.47Å; S1382-T1586 VanDerWaalsContact OG-CG2 3.28Å; S1382-T1586 WeakPolarHBondContact OG-CG2 3.44Å |
| 1383 | A | 29.3 | Very low | 32 | Very low | 53 Ų | 53 | 105.1 Ų | 105.1 | 44% | 0.438 | 61% | 0.605 | S | S | . | * | | | cis | -166.1 | 140.8 | -41.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | S1585 T1586 | A1383-S1585 CarbonylContact O-C 3.55Å; A1383-S1585 WeakPolarHBondContact O-CA 3.14Å; A1383-S1585 VanDerWaalsContact O-CB 3.31Å; A1383-S1585 WeakPolarHBondContact O-CB 3.4Å; A1383-S1585 PolarHBondContact O-N 3.48Å; A1383-T1586 PolarHBondContact N-OG1 2.79Å; A1383-T1586 PolarHBondContact O-N 2.98Å; A1383-T1586 PolarHBondContact O-OG1 3.02Å |
| 1384 | S | 28.2 | Very low | 31.9 | Very low | 82 Ų | 82 | 111.3 Ų | 111.3 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | B | Isolated β-bridge | trans | -179.7 | 159.7 | 171.4 | -132.2 | 0 | 0 | 0 | 0 | 110.2 | S1585 | S1384-S1585 WeakPolarHBondContact OG-CB 3.28Å; S1384-S1585 PolarHBondContact OG-N 3.49Å |
| 1385 | L | 30.3 | Very low | 31.5 | Very low | 118 Ų | 118 | 113.4 Ų | 113.4 | 62% | 0.618 | 65% | 0.649 | S | S | * | * | | | cis | -151.8 | 138.3 | -12.1 | -147.3 | 162.6 | 0 | 0 | 0 | 104.5 | S1387 P1583 | L1385-S1387 PolarHBondContact O-N 2.79Å; L1385-P1583 WeakPolarHBondContact CA-O 2.99Å; L1385-P1583 HydrophobicContact CD2-CG 4.12Å; L1385-P1583 VanDerWaalsContact CD2-O 3.22Å; L1385-P1583 WeakPolarHBondContact CD2-O 3.48Å; L1385-P1583 WeakPolarHBondContact CG-O 3.39Å |
| 1386 | A | 30.2 | Very low | 31.3 | Very low | 62 Ų | 62 | 113.8 Ų | 113.8 | 51% | 0.512 | 67% | 0.665 | S | S | . | * | | | trans | -82.6 | 123.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P1583 | A1386-P1583 HydrophobicContact CB-CB 3.32Å; A1386-P1583 HydrophobicContact CB-CG 3.82Å; A1386-P1583 PolarHBondContact N-O 3.48Å |
| 1387 | S | 28.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 115 Ų | 115 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | | | trans | -170.1 | 129.6 | 165.8 | -79.3 | 0 | 0 | 0 | 0 | 105.8 | L1385 | L1385-S1387 PolarHBondContact O-N 2.79Š|
| 1388 | L | 33.8 | Very low | 31.7 | Very low | 168 Ų | 168 | 118 Ų | 118 | 88% | 0.88 | 68% | 0.677 | S | S | * | * | | | cis | -136.2 | 163.6 | 8.9 | -60.7 | 91.9 | 0 | 0 | 0 | 111 | | |
| 1389 | A | 34.4 | Very low | 31.6 | Very low | 67 Ų | 67 | 113.4 Ų | 113.4 | 55% | 0.554 | 68% | 0.675 | S | S | * | * | | | trans | -117.4 | 113.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1390 | R | 33.4 | Very low | 31.8 | Very low | 156 Ų | 156 | 111.6 Ų | 111.6 | 59% | 0.589 | 68% | 0.676 | S | S | * | * | | | trans | 176.2 | 88.3 | 159.7 | -103.8 | 170.7 | 176.4 | 178.4 | -2.4 | 115.7 | G1029 Y1030 P1031 S1032 S1033 | G1029-R1390 CarbonylContact O-C 3.43Å; Y1030-R1390 VanDerWaalsContact C-CA 3.48Å; Y1030-R1390 CarbonylContact O-C 2.97Å; Y1030-R1390 VanDerWaalsContact O-CA 3.27Å; Y1030-R1390 WeakPolarHBondContact O-CA 3.4Å; P1031-R1390 WeakPolarHBondContact O-CG 3.25Å; P1031-R1390 PolarHBondContact O-NE 2.79Å; S1032-R1390 PolarHBondContact O-NH2 2.72Å; S1033-R1390 PolarHBondContact OG-NH2 3.37Å |
| 1391 | L | 35.3 | Very low | 31.6 | Very low | 140 Ų | 140 | 114 Ų | 114 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | | | | -162.9 | 100 | 125.4 | -132.1 | 72.2 | 0 | 0 | 0 | 115.3 | P1028 G1029 Y1030 | P1028-L1391 CarbonylContact C-O 3.32Å; G1029-L1391 CarbonylContact C-O 3.59Å; G1029-L1391 VanDerWaalsContact CA-O 3.28Å; G1029-L1391 WeakPolarHBondContact CA-O 3.22Å; G1029-L1391 PolarHBondContact N-O 2.72Å; G1029-L1391 PolarHBondContact O-N 2.81Å; Y1030-L1391 PolarHBondContact N-O 3.14Å; Y1030-L1391 CarbonylContact O-C 3.52Å; Y1030-L1391 WeakPolarHBondContact O-CA 3.39Å; Y1030-L1391 PolarHBondContact O-N 2.85Å |
| 1392 | S | 31.4 | Very low | 31.3 | Very low | 51 Ų | 51 | 114.8 Ų | 114.8 | 36% | 0.357 | 68% | 0.677 | S | S | . | * | | | trans | -114 | 125.5 | 173 | -93.4 | 0 | 0 | 0 | 0 | 110.1 | Y1030 | Y1030-S1392 VanDerWaalsContact CA-OG 3.24Å; Y1030-S1392 WeakPolarHBondContact CA-OG 3.41Å; Y1030-S1392 PolarHBondContact N-OG 2.95Å; Y1030-S1392 PolarHBondContact O-N 2.81Å |
| 1393 | Q | 31 | Very low | 31.4 | Very low | 191 Ų | 191 | 115.3 Ų | 115.3 | 89% | 0.893 | 68% | 0.679 | S | S | * | * | | | trans | -176.4 | 171.9 | 148.5 | -105.1 | 148.1 | 104.7 | 0 | 0 | 111.2 | | |
| 1394 | M | 31.2 | Very low | 31.1 | Very low | 174 Ų | 174 | 116.6 Ų | 116.6 | 86% | 0.857 | 69% | 0.685 | S | S | * | * | | | trans | 71.2 | 87.7 | -177.6 | -47.5 | -174.5 | 73.7 | 0 | 0 | 112.3 | | |
| 1395 | S | 30.8 | Very low | 30.9 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 88% | 0.881 | 69% | 0.689 | S | S | * | * | | | | 60.9 | 117.8 | 71.4 | -49.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1396 | G | 31.3 | Very low | 30.8 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | cis | 109 | 168.1 | 36.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1397 | P | 35.7 | Very low | 30.5 | Very low | 104 Ų | 104 | 118.8 Ų | 118.8 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | | | cis | -124.1 | -160.6 | -5 | 42.7 | -25.7 | 0 | 0 | 0 | 112.6 | | |
| 1398 | E | 33.5 | Very low | 30.4 | Very low | 189 Ų | 189 | 118.4 Ų | 118.4 | 88% | 0.883 | 71% | 0.709 | S | S | * | * | | | trans | 40.4 | 136.4 | 151.3 | -67.9 | 146 | -130.4 | 0 | 0 | 121 | | |
| 1399 | G | 29.8 | Very low | 30 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | | | cis | -165.9 | -162.6 | 25.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1400 | P | 35.8 | Very low | 29.6 | Very low | 113 Ų | 113 | 125.6 Ų | 125.6 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | | | trans | -123.5 | -169.2 | -140.4 | 28.8 | -7.3 | 0 | 0 | 0 | 116.5 | | |
| 1401 | Y | 27.1 | Very low | 29.3 | Very low | 176 Ų | 176 | 124.3 Ų | 124.3 | 69% | 0.69 | 72% | 0.721 | S | S | * | * | | | trans | 76 | 114.4 | 176.3 | -67.6 | -83.9 | 0 | 0 | 0 | 113.3 | | |
| 1402 | I | 27.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 55% | 0.549 | 72% | 0.716 | S | S | . | * | | | | 46.8 | 140 | 52.5 | -16.3 | 174.3 | 0 | 0 | 0 | 112.7 | E254 | E254-I1402 WeakPolarHBondContact OE2-CB 3.45Å; E254-I1402 VanDerWaalsContact OE2-CG2 3.26Å; E254-I1402 WeakPolarHBondContact OE2-CG2 3.14Å |
| 1403 | P | 30.5 | Very low | 28.6 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 61% | 0.61 | 73% | 0.732 | S | S | * | * | | | | -139.4 | 145.6 | 96.8 | 37.7 | -26 | 0 | 0 | 0 | 114.8 | E254 | E254-P1403 WeakPolarHBondContact OE2-CA 3.11Š|
| 1404 | S | 23.5 | Very low | 28.5 | Very low | 80 Ų | 80 | 122.5 Ų | 122.5 | 56% | 0.559 | 73% | 0.729 | S | S | * | * | | | trans | -79.3 | 112.2 | 160.2 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | E254 | E254-S1404 PolarHBondContact OE2-N 3.34Å; E254-S1404 VanDerWaalsContact OE2-N 3.13Å |
| 1405 | C | 24.8 | Very low | 28.5 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | | | trans | -169.4 | 149.1 | 166.7 | 49.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1406 | S | 27.4 | Very low | 28.3 | Very low | 111 Ų | 111 | 114.3 Ų | 114.3 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | | | cis | -159.6 | 149.7 | -17 | -90.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1407 | A | 23.9 | Very low | 28 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 81% | 0.81 | 67% | 0.667 | S | S | * | * | | | trans | -85 | 117.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1408 | S | 26.3 | Very low | 27.8 | Very low | 98 Ų | 98 | 114.4 Ų | 114.4 | 69% | 0.685 | 67% | 0.67 | S | S | * | * | | | trans | -168.6 | 117.4 | 160.7 | -85.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1409 | F | 26.9 | Very low | 27.6 | Very low | 177 Ų | 177 | 108.5 Ų | 108.5 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | | | trans | 27.2 | 132.3 | 133.6 | -55.1 | -80 | 0 | 0 | 0 | 121.9 | | |
| 1410 | Y | 25.5 | Very low | 27.7 | Very low | 208 Ų | 208 | 110.7 Ų | 110.7 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | | | trans | 46.9 | 140.7 | 138 | -71 | -105.6 | 0 | 0 | 0 | 119.5 | | |
| 1411 | N | 25.9 | Very low | 27.5 | Very low | 129 Ų | 129 | 112.3 Ų | 112.3 | 69% | 0.69 | 67% | 0.666 | S | S | * | * | | | cis | -161 | 161.7 | 26 | -156 | -7.9 | 0 | 0 | 0 | 112.3 | | |
| 1412 | S | 25.4 | Very low | 27.9 | Very low | 89 Ų | 89 | 109.1 Ų | 109.1 | 62% | 0.622 | 67% | 0.666 | S | S | * | * | | | trans | 43.2 | 110.1 | 144.2 | -71.5 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1413 | S | 26.9 | Very low | 28 | Very low | 100 Ų | 100 | 107.4 Ų | 107.4 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | | | | 97.3 | 136 | 116.2 | 79.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1414 | N | 29 | Very low | 27.9 | Very low | 156 Ų | 156 | 110.8 Ų | 110.8 | 83% | 0.834 | 68% | 0.683 | S | S | * | * | | | trans | 69 | 164.9 | 153.1 | -66.7 | -10.2 | 0 | 0 | 0 | 120.4 | | |
| 1415 | G | 30.7 | Very low | 28.1 | Very low | 52 Ų | 52 | 112 Ų | 112 | 54% | 0.536 | 69% | 0.687 | S | S | . | * | | | trans | 109.9 | 41 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1416 | N | 26.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 112.6 Ų | 112.6 | 40% | 0.401 | 69% | 0.687 | S | S | . | * | | | trans | -139.6 | 77.3 | 168.8 | -96.1 | -59.8 | 0 | 0 | 0 | 112.8 | T2053 M2054 Y2055 | N1416-T2053 WeakPolarHBondContact OD1-CB 3.48Å; N1416-T2053 PolarHBondContact OD1-OG1 3.39Å; N1416-M2054 VanDerWaalsContact C-CG 3.46Å; N1416-M2054 HydrophobicContact CB-CB 4.24Å; N1416-M2054 HydrophobicContact CB-CE 4.44Å; N1416-M2054 HydrophobicContact CB-CG 3.67Å; N1416-M2054 CarbonylContact O-C 3.55Å; N1416-M2054 WeakPolarHBondContact O-CA 3.28Å; N1416-M2054 VanDerWaalsContact O-CB 3.22Å; N1416-M2054 WeakPolarHBondContact O-CB 3.22Å; N1416-M2054 WeakPolarHBondContact OD1-CE 3.36Å; N1416-M2054 WeakPolarHBondContact OD1-CG 3.25Å; N1416-Y2055 VanDerWaalsContact O-CD1 3.22Å; N1416-Y2055 WeakPolarHBondContact O-CD1 3.49Å; N1416-Y2055 VanDerWaalsContact O-CG 3.24Å; N1416-Y2055 PolarHBondContact O-N 3.19Å |
| 1417 | S | 26.9 | Very low | 28.1 | Very low | 37 Ų | 37 | 115.4 Ų | 115.4 | 26% | 0.259 | 69% | 0.687 | S | S | . | * | S | Bend | | -160.6 | 148.2 | 129.2 | -144.9 | 0 | 0 | 0 | 0 | 123 | M2054 Y2055 | S1417-M2054 VanDerWaalsContact CA-SD 3.53Å; S1417-M2054 WeakPolarHBondContact OG-CB 3.4Å; S1417-Y2055 PolarHBondContact OG-N 2.84Å |
| 1418 | L | 29.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | | | trans | 68.7 | 38.7 | 150.6 | -86.2 | 160.6 | 0 | 0 | 0 | 118.9 | M2054 | L1418-M2054 PolarHBondContact N-SD 3.47Å; L1418-M2054 VanDerWaalsContact N-SD 3.41Å |
| 1419 | G | 30.2 | Very low | 28.1 | Very low | 66 Ų | 66 | 117 Ų | 117 | 68% | 0.68 | 68% | 0.681 | S | S | * | * | | | trans | 66 | -161.1 | 145.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 1420 | S | 31.1 | Very low | 28.2 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | | | cis | -131.5 | 136.9 | -9 | -65.6 | 0 | 0 | 0 | 0 | 111 | | |
| 1421 | I | 31.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 111.6 Ų | 111.6 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | | | trans | -62.5 | 165.8 | 159.5 | 32.5 | 168.1 | 0 | 0 | 0 | 111.2 | | |
| 1422 | P | 35.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 107.6 Ų | 107.6 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | | | cis | -132.9 | 165.9 | 2.4 | 29.4 | -8.9 | 0 | 0 | 0 | 116.5 | | |
| 1423 | G | 29.4 | Very low | 28.3 | Very low | 71 Ų | 71 | 106.4 Ų | 106.4 | 73% | 0.732 | 65% | 0.65 | S | S | * | * | | | trans | 107.9 | 169.3 | 135.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1424 | H | 28.7 | Very low | 28.3 | Very low | 166 Ų | 166 | 106.5 Ų | 106.5 | 77% | 0.769 | 64% | 0.642 | S | S | * | * | | | cis | -158.2 | 157.4 | -5.9 | -128.1 | -76.6 | 0 | 0 | 0 | 111.1 | | |
| 1425 | T | 27.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | | | trans | 61.9 | 95.8 | 151.7 | -53.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1426 | V | 26.2 | Very low | 28.5 | Very low | 110 Ų | 110 | 101.4 Ų | 101.4 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | | | | 62.9 | 92.3 | 82.6 | 178.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1427 | H | 26 | Very low | 28.4 | Very low | 170 Ų | 170 | 104.1 Ų | 104.1 | 79% | 0.787 | 62% | 0.615 | S | S | * | * | | | | -173.3 | 132.4 | 113.3 | -93.5 | -36.4 | 0 | 0 | 0 | 108.7 | | |
| 1428 | S | 25.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 107.4 Ų | 107.4 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | | | | 88.7 | 109.8 | 53.4 | -62.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1429 | N | 24.6 | Very low | 28.5 | Very low | 149 Ų | 149 | 107.3 Ų | 107.3 | 80% | 0.797 | 63% | 0.626 | S | S | * | * | | | trans | 81.1 | 139.4 | 143.8 | -55.6 | -23.6 | 0 | 0 | 0 | 120.6 | | |
| 1430 | R | 28.8 | Very low | 28.4 | Very low | 224 Ų | 224 | 109.9 Ų | 109.9 | 85% | 0.845 | 62% | 0.624 | S | S | * | * | | | trans | 67.5 | 142 | 170.1 | -61.5 | -179.4 | 176.3 | 175 | -1.8 | 116.3 | | |
| 1431 | G | 27.7 | Very low | 28.4 | Very low | 47 Ų | 47 | 108 Ų | 108 | 49% | 0.485 | 62% | 0.623 | S | S | . | * | | | cis | 165.7 | 140.4 | -5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1432 | G | 27.1 | Very low | 28.6 | Very low | 44 Ų | 44 | 104.9 Ų | 104.9 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | | | trans | 73.7 | -177.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1433 | S | 25.6 | Very low | 28.5 | Very low | 65 Ų | 65 | 105.2 Ų | 105.2 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | | | cis | -162.9 | 150.7 | -17.5 | -106.7 | 0 | 0 | 0 | 0 | 108.5 | E2189 M2190 | S1433-E2189 WeakPolarHBondContact CA-OE2 3.34Å; S1433-E2189 VanDerWaalsContact CB-OE2 3.25Å; S1433-E2189 WeakPolarHBondContact CB-OE2 3.07Å; S1433-E2189 PolarHBondContact OG-OE2 2.8Å; S1433-M2190 WeakPolarHBondContact OG-CG 3.23Å |
| 1434 | L | 26.7 | Very low | 28.5 | Very low | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 61% | 0.614 | S | S | . | * | | | trans | 59.3 | 120.2 | 162.9 | -56.5 | 166.3 | 0 | 0 | 0 | 118.8 | E2189 | L1434-E2189 VanDerWaalsContact CA-OE1 3.24Å; L1434-E2189 WeakPolarHBondContact CA-OE1 3.1Å; L1434-E2189 WeakPolarHBondContact CD2-OE1 3.44Å; L1434-E2189 PolarHBondContact N-OE1 2.76Å; L1434-E2189 PolarHBondContact N-OE2 3.44Å |
| 1435 | T | 31.9 | Very low | 28.9 | Very low | 60 Ų | 60 | 106.9 Ų | 106.9 | 37% | 0.368 | 62% | 0.616 | S | S | . | * | | | trans | -27.6 | 177.3 | 136.6 | 53.6 | 0 | 0 | 0 | 0 | 116.7 | N676 R2188 | N676-T1435 PolarHBondContact OD1-O 2.95Å; T1435-R2188 PolarHBondContact OG1-NH2 3.3Å |
| 1436 | P | 31.7 | Very low | 29 | Very low | 41 Ų | 41 | 107.4 Ų | 107.4 | 27% | 0.266 | 62% | 0.621 | S | S | . | * | | | cis | -124 | -147.2 | 1.7 | 11 | 17.7 | 0 | 0 | 0 | 111.5 | S675 N676 | S675-P1436 CarbonylContact C-O 3.55Å; S675-P1436 VanDerWaalsContact C-O 3.27Å; S675-P1436 WeakPolarHBondContact CA-O 3.43Å; S675-P1436 WeakPolarHBondContact CB-O 3.5Å; S675-P1436 PolarHBondContact OG-O 2.85Å; N676-P1436 WeakPolarHBondContact CA-O 3.34Å; N676-P1436 VanDerWaalsContact CG-O 3.25Å; N676-P1436 PolarHBondContact N-O 3.44Å; N676-P1436 WeakPolarHBondContact OD1-CD 3.45Å; N676-P1436 VanDerWaalsContact OD1-N 3.16Å; N676-P1436 PolarHBondContact OD1-O 3.49Å |
| 1437 | F | 24.5 | Very low | 29.4 | Very low | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.583 | 62% | 0.621 | S | S | * | * | | | trans | 72.2 | -153.3 | 147.7 | -59.5 | -50.3 | 0 | 0 | 0 | 125.1 | R674 S675 | R674-F1437 CarbonylContact C-O 3.11Å; S675-F1437 CarbonylContact C-O 3.07Å; S675-F1437 WeakPolarHBondContact CA-O 3.23Å; S675-F1437 PolarHBondContact N-O 2.78Å |
| 1438 | H | 26.1 | Very low | 30.2 | Very low | 105 Ų | 105 | 102.6 Ų | 102.6 | 49% | 0.486 | 61% | 0.614 | S | S | . | * | | | trans | -48 | 146.8 | -144.4 | -75.7 | -153.1 | 0 | 0 | 0 | 117 | S675 D1440 | S675-H1438 CarbonylContact C-O 3.07Å; S675-H1438 PolarHBondContact N-O 3.28Å; H1438-D1440 IonicContact CE1-OD2 2.68Å; H1438-D1440 PolarHBondContact CE1-OD2 2.96Å; H1438-D1440 IonicContact ND1-OD2 3.71Å; H1438-D1440 PolarHBondContact ND1-OD2 3.24Å |
| 1439 | L | 32.8 | Very low | 30.7 | Very low | 143 Ų | 143 | 104.8 Ų | 104.8 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | | | cis | 63.7 | 80 | -3.1 | -139.7 | 177.7 | 0 | 0 | 0 | 117.2 | | |
| 1440 | D | 26.9 | Very low | 31.2 | Very low | 120 Ų | 120 | 106.5 Ų | 106.5 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | | | trans | -158.4 | 156 | 164.1 | -117.5 | -18.2 | 0 | 0 | 0 | 108.9 | H1438 S1442 | H1438-D1440 IonicContact CE1-OD2 2.68Å; H1438-D1440 PolarHBondContact CE1-OD2 2.96Å; H1438-D1440 IonicContact ND1-OD2 3.71Å; H1438-D1440 PolarHBondContact ND1-OD2 3.24Å; D1440-S1442 PolarHBondContact OD1-N 3.44Å |
| 1441 | G | 32 | Very low | 31.3 | Very low | 76 Ų | 76 | 99.1 Ų | 99.1 | 78% | 0.784 | 62% | 0.623 | S | S | * | * | S | Bend | cis | -91.1 | 123.9 | 0.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1442 | S | 36.9 | Very low | 31.5 | Very low | 80 Ų | 80 | 100.8 Ų | 100.8 | 56% | 0.559 | 63% | 0.632 | S | S | * | * | | | trans | -75.5 | -163.5 | 150.6 | -60.2 | 0 | 0 | 0 | 0 | 108.3 | D1440 | D1440-S1442 PolarHBondContact OD1-N 3.44Š|
| 1443 | P | 33.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 106.6 Ų | 106.6 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | | | cis | -135.7 | -157 | 9.2 | 29.3 | 0.7 | 0 | 0 | 0 | 111.6 | | |
| 1444 | V | 29.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 111 Ų | 111 | 69% | 0.691 | 66% | 0.66 | S | S | * | * | | | cis | -145.3 | 136.1 | 17 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1445 | I | 36.1 | Very low | 31.9 | Very low | 157 Ų | 157 | 113.3 Ų | 113.3 | 81% | 0.805 | 67% | 0.671 | S | S | * | * | | | trans | -90.6 | 132.9 | 159.8 | -64.5 | 166 | 0 | 0 | 0 | 108.6 | | |
| 1446 | P | 29.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | | | trans | -124.4 | 97.2 | 150.6 | 33.1 | -20.4 | 0 | 0 | 0 | 111.7 | | |
| 1447 | A | 34 | Very low | 31.5 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 66% | 0.661 | 71% | 0.705 | S | S | * | * | | | trans | -83.9 | 169.8 | 141.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1448 | P | 43.3 | Very low | 31.6 | Very low | 99 Ų | 99 | 122.3 Ų | 122.3 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | | | cis | -116.9 | -141.5 | -7.9 | 32.5 | -12 | 0 | 0 | 0 | 110.2 | Q1450 | P1448-Q1450 HydrophobicContact CG-CG 4.14Š|
| 1449 | P | 35.6 | Very low | 31.7 | Very low | 128 Ų | 128 | 121.3 Ų | 121.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | | | | -128.2 | 146.5 | 95 | 36.1 | -30.7 | 0 | 0 | 0 | 114.7 | | |
| 1450 | Q | 34.1 | Very low | 31.4 | Very low | 186 Ų | 186 | 118.9 Ų | 118.9 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | | | trans | -83.8 | 160.6 | 166.8 | -68.3 | 175.3 | -11.4 | 0 | 0 | 110.7 | P1448 | P1448-Q1450 HydrophobicContact CG-CG 4.14Š|
| 1451 | G | 30.9 | Very low | 31.4 | Very low | 68 Ų | 68 | 124.3 Ų | 124.3 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | trans | 160 | 85.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1452 | A | 32.9 | Very low | 31.2 | Very low | 82 Ų | 82 | 126.8 Ų | 126.8 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | | 58.9 | 134.4 | 57.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1453 | H | 31.3 | Very low | 30.8 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | | | cis | -139.9 | 174.4 | 31.3 | -75.2 | -99.6 | 0 | 0 | 0 | 114.7 | | |
| 1454 | H | 29.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | | | trans | -9.5 | 154.7 | 141.4 | -56 | -104.1 | 0 | 0 | 0 | 116.5 | | |
| 1455 | I | 27.8 | Very low | 30.7 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | | -165.4 | 128.5 | 75.6 | -85.9 | 173.7 | 0 | 0 | 0 | 111.9 | | |
| 1456 | I | 27.2 | Very low | 30.7 | Very low | 143 Ų | 143 | 128 Ų | 128 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | | | trans | 36.7 | 149.6 | 130.1 | -47 | 172.9 | 0 | 0 | 0 | 120.7 | | |
| 1457 | S | 26.6 | Very low | 31 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | | | trans | 90.8 | 118.4 | 162.7 | -87.9 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1458 | Q | 27.1 | Very low | 30.8 | Very low | 192 Ų | 192 | 125.7 Ų | 125.7 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | | | | 67.5 | 110.8 | 91.3 | -65.2 | -177 | 26.9 | 0 | 0 | 113.7 | | |
| 1459 | G | 29.3 | Very low | 30.2 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | | | trans | 178.5 | 125.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1460 | A | 26.6 | Very low | 29.8 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | | | trans | -104.7 | 169.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1461 | R | 26.6 | Very low | 29.4 | Very low | 234 Ų | 234 | 118.3 Ų | 118.3 | 88% | 0.883 | 71% | 0.712 | S | S | * | * | | | trans | 73.1 | 146.7 | 176.7 | -58.2 | 173.8 | 168.6 | 176.9 | -3.8 | 113.9 | | |
| 1462 | N | 26.9 | Very low | 29.7 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 69% | 0.69 | 71% | 0.714 | S | S | * | * | | | cis | -157 | 160.4 | -10.9 | -133.8 | -14.5 | 0 | 0 | 0 | 112 | | |
| 1463 | Q | 28.6 | Very low | 29.4 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 64.4 | 119.9 | 149.9 | -69.1 | -157.4 | 18.2 | 0 | 0 | 122.3 | | |
| 1464 | N | 28.1 | Very low | 29 | Very low | 127 Ų | 127 | 121.1 Ų | 121.1 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | | | trans | 90.1 | 111.3 | 132.4 | -57.6 | -7 | 0 | 0 | 0 | 121.4 | | |
| 1465 | S | 32.4 | Very low | 28.9 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 71% | 0.709 | S | S | * | * | | | trans | 69.4 | 97.6 | 137.7 | -49.5 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1466 | S | 36.1 | Very low | 28.7 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | | | cis | 48 | 144.8 | 36.6 | -130.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1467 | P | 36.1 | Very low | 28.6 | Very low | 102 Ų | 102 | 119.2 Ų | 119.2 | 66% | 0.662 | 71% | 0.709 | S | S | * | * | | | cis | -139.3 | -172.7 | 10.9 | 36.8 | -15 | 0 | 0 | 0 | 116.1 | | |
| 1468 | G | 30.4 | Very low | 28.6 | Very low | 45 Ų | 45 | 121.9 Ų | 121.9 | 46% | 0.464 | 72% | 0.717 | S | S | . | * | | | | 97.1 | 87.3 | 129.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | G416 | G416-G1468 VanDerWaalsContact N-CA 3.32Å; G416-G1468 WeakPolarHBondContact O-CA 3.06Å |
| 1469 | N | 29.8 | Very low | 28.8 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 52% | 0.524 | 70% | 0.7 | S | S | . | * | | | cis | 70 | 164.8 | 32.3 | -154.4 | -25 | 0 | 0 | 0 | 113.3 | S413 S414 S415 G416 | S413-N1469 PolarHBondContact O-ND2 3.12Å; S414-N1469 VanDerWaalsContact C-OD1 3.27Å; S414-N1469 VanDerWaalsContact O-CG 3.3Å; S414-N1469 PolarHBondContact O-ND2 3.28Å; S415-N1469 CarbonylContact C-O 3.43Å; S415-N1469 VanDerWaalsContact CA-C 3.47Å; S415-N1469 VanDerWaalsContact N-CG 3.29Å; S415-N1469 PolarHBondContact N-OD1 3.19Å; G416-N1469 PolarHBondContact N-O 3.1Å |
| 1470 | C | 27.3 | Very low | 28.6 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | | | trans | 71.1 | 111.4 | -154.2 | -93.9 | 0 | 0 | 0 | 0 | 113.1 | S415 | S415-C1470 WeakPolarHBondContact CA-SG 3.41Å; S415-C1470 WeakPolarHBondContact CB-SG 3.48Å |
| 1471 | G | 27.1 | Very low | 28.6 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 66% | 0.66 | 69% | 0.692 | S | S | * | * | | | cis | 112.7 | 175.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1472 | P | 35.9 | Very low | 28.5 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 75% | 0.747 | 68% | 0.681 | S | S | * | * | | | trans | -101.2 | 164.8 | -151.6 | 38.4 | -37.5 | 0 | 0 | 0 | 114.3 | | |
| 1473 | K | 26.5 | Very low | 28.5 | Very low | 178 Ų | 178 | 117.4 Ų | 117.4 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | | | trans | -177.7 | 118 | 133.8 | -91.3 | 139.8 | -168 | 177.8 | 0 | 107.2 | | |
| 1474 | S | 23.2 | Very low | 28.4 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 58% | 0.58 | 69% | 0.686 | S | S | * | * | | | | 69.5 | 156.4 | 58.9 | 78.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1475 | H | 26.7 | Very low | 28.3 | Very low | 155 Ų | 155 | 113.3 Ų | 113.3 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | | | trans | 73.6 | 143.8 | -178.5 | -41.7 | -55.4 | 0 | 0 | 0 | 113.8 | | |
| 1476 | L | 25 | Very low | 28.1 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 76% | 0.759 | 69% | 0.685 | S | S | * | * | | | cis | -169.1 | 179.5 | -28.1 | -143.5 | 78.8 | 0 | 0 | 0 | 104.9 | | |
| 1477 | C | 25.2 | Very low | 27.7 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | | | trans | 73 | 135.1 | 165.8 | -59.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1478 | N | 26.1 | Very low | 27.5 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | | | cis | 74 | 136.5 | 22.9 | -158.6 | 57.5 | 0 | 0 | 0 | 113.8 | | |
| 1479 | P | 30.9 | Very low | 27.8 | Very low | 83 Ų | 83 | 116.7 Ų | 116.7 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | | | | -129 | -147.3 | -52 | 36.3 | -17.9 | 0 | 0 | 0 | 108.8 | | |
| 1480 | N | 24.7 | Very low | 27.9 | Very low | 128 Ų | 128 | 117.5 Ų | 117.5 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | | | trans | 73.9 | 147.2 | 155.2 | -69.6 | -13.6 | 0 | 0 | 0 | 119.7 | | |
| 1481 | Q | 26 | Very low | 27.9 | Very low | 168 Ų | 168 | 117.4 Ų | 117.4 | 79% | 0.785 | 68% | 0.68 | S | S | * | * | | | trans | 61.1 | 96.3 | 150.9 | -68.1 | 165.3 | 133 | 0 | 0 | 116.5 | | |
| 1482 | S | 25.8 | Very low | 27.9 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 64% | 0.636 | 68% | 0.682 | S | S | * | * | | | | 80.8 | 130 | 66.3 | 71.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1483 | L | 27 | Very low | 27.8 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 87% | 0.869 | 69% | 0.687 | S | S | * | * | | | trans | 65.6 | 158.1 | 165.6 | -56.5 | 167.5 | 0 | 0 | 0 | 114 | | |
| 1484 | S | 26.3 | Very low | 28.2 | Very low | 89 Ų | 89 | 120.7 Ų | 120.7 | 62% | 0.622 | 69% | 0.691 | S | S | * | * | | | cis | -175.1 | 131.1 | -25.2 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1485 | S | 26.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | | | trans | 53.7 | 154 | 150.3 | -47.7 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1486 | N | 27 | Very low | 28.7 | Very low | 137 Ų | 137 | 122.4 Ų | 122.4 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | | | trans | 72.3 | 147.4 | 153.2 | -72.6 | 7.2 | 0 | 0 | 0 | 119.7 | | |
| 1487 | M | 29.1 | Very low | 28.8 | Very low | 146 Ų | 146 | 119 Ų | 119 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | | | cis | -172.4 | 147.4 | -31.2 | -123 | -174.3 | -168.1 | 0 | 0 | 109.6 | | |
| 1488 | T | 31.1 | Very low | 28.9 | Very low | 89 Ų | 89 | 122.2 Ų | 122.2 | 55% | 0.546 | 69% | 0.691 | S | S | . | * | | | trans | 64.1 | -179.1 | 151.5 | 63.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1489 | P | 37.5 | Very low | 29 | Very low | 69 Ų | 69 | 118.1 Ų | 118.1 | 45% | 0.448 | 67% | 0.674 | S | S | . | * | | | | -133.6 | -154.7 | -69.7 | 41.2 | -25.7 | 0 | 0 | 0 | 112.9 | | |
| 1490 | N | 31.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 62% | 0.615 | 68% | 0.677 | S | S | * | * | | | trans | 89.7 | 125.7 | 154.5 | -73.1 | -6.3 | 0 | 0 | 0 | 120.7 | N1842 | N1490-N1842 PolarHBondContact O-ND2 3.37Š|
| 1491 | S | 26.8 | Very low | 29.6 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 66% | 0.657 | 67% | 0.67 | S | S | * | * | | | trans | 81.7 | 113.3 | 137.6 | -60.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1492 | C | 27.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 70% | 0.703 | 67% | 0.666 | S | S | * | * | | | | 47.9 | 115.2 | 122.6 | -48.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1493 | N | 33.1 | Very low | 29.9 | Very low | 160 Ų | 160 | 115.6 Ų | 115.6 | 86% | 0.856 | 66% | 0.656 | S | S | * | * | | | | -176 | 142 | 92.8 | -87.4 | -41.1 | 0 | 0 | 0 | 112.8 | | |
| 1494 | L | 35.9 | Very low | 30 | Very low | 162 Ų | 162 | 111.4 Ų | 111.4 | 85% | 0.848 | 64% | 0.641 | S | S | * | * | | | trans | -82.7 | -178.5 | 161 | -65.8 | 81.5 | 0 | 0 | 0 | 108.9 | | |
| 1495 | P | 32 | Very low | 30.4 | Very low | 104 Ų | 104 | 112.5 Ų | 112.5 | 68% | 0.675 | 63% | 0.634 | S | S | * | * | | | cis | -133.5 | -153.7 | -3.3 | 39.9 | -19.7 | 0 | 0 | 0 | 112.7 | | |
| 1496 | H | 27.6 | Very low | 31 | Very low | 169 Ų | 169 | 116.5 Ų | 116.5 | 78% | 0.782 | 64% | 0.64 | S | S | * | * | | | trans | 74.7 | 150.5 | 151.6 | -93.8 | 40.7 | 0 | 0 | 0 | 117.7 | | |
| 1497 | S | 27.3 | Very low | 31.9 | Very low | 75 Ų | 75 | 112.6 Ų | 112.6 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | | | cis | -175 | 154 | -8.6 | 43.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1498 | Q | 28 | Very low | 32.8 | Very low | 176 Ų | 176 | 109.3 Ų | 109.3 | 82% | 0.822 | 61% | 0.608 | S | S | * | * | | | trans | 65.4 | 145.5 | 158.6 | -60.8 | 152.3 | 35.5 | 0 | 0 | 117.1 | | |
| 1499 | S | 28.2 | Very low | 33.1 | Very low | 58 Ų | 58 | 111.7 Ų | 111.7 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | | | cis | -163.3 | 125.1 | -12.5 | 38.9 | 0 | 0 | 0 | 0 | 107.6 | T424 | T424-S1499 WeakPolarHBondContact CG2-O 3.49Å; T424-S1499 WeakPolarHBondContact CG2-OG 3.47Å |
| 1500 | I | 32.8 | Very low | 33 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 60% | 0.6 | 62% | 0.622 | S | S | * | * | | | | 53.8 | 123.8 | 98.4 | -70.8 | 164.6 | 0 | 0 | 0 | 112.7 | L425 | L425-I1500 WeakPolarHBondContact CA-O 3.25Å; L425-I1500 PolarHBondContact N-O 2.79Å |
| 1501 | P | 34 | Very low | 32.9 | Very low | 84 Ų | 84 | 115.8 Ų | 115.8 | 55% | 0.545 | 63% | 0.632 | S | S | . | * | | | cis | 107.1 | 128.1 | 16.2 | -41.4 | 31 | 0 | 0 | 0 | 111.7 | L425 S426 G427 | L425-P1501 VanDerWaalsContact N-CD 3.34Å; S426-P1501 CarbonylContact C-O 3.4Å; S426-P1501 WeakPolarHBondContact CA-O 3.43Å; S426-P1501 PolarHBondContact N-O 2.91Å; G427-P1501 PolarHBondContact N-O 3.14Å |
| 1502 | I | 28.7 | Very low | 33.7 | Very low | 136 Ų | 136 | 116 Ų | 116 | 70% | 0.697 | 63% | 0.631 | S | S | * | * | | | trans | -133.3 | -166.3 | -164.8 | -152 | 168.3 | 0 | 0 | 0 | 116.1 | L425 G427 | L425-I1502 WeakPolarHBondContact O-CD1 3.46Å; G427-I1502 CarbonylContact O-C 3.26Å; G427-I1502 VanDerWaalsContact O-CA 3.22Å; G427-I1502 WeakPolarHBondContact O-CA 3.48Å; G427-I1502 VanDerWaalsContact O-O 3.05Å |
| 1503 | N | 29.6 | Very low | 33.8 | Very low | 81 Ų | 81 | 118.8 Ų | 118.8 | 43% | 0.433 | 63% | 0.634 | S | S | . | * | | | | -139.8 | 144.2 | -126.4 | -155.5 | -4.5 | 0 | 0 | 0 | 119.3 | G427 Q428 | G427-N1503 VanDerWaalsContact C-CG 3.43Å; G427-N1503 WeakPolarHBondContact O-CA 3.29Å; G427-N1503 WeakPolarHBondContact O-CB 3.47Å; G427-N1503 VanDerWaalsContact O-CG 3.24Å; G427-N1503 PolarHBondContact O-N 3.39Å; Q428-N1503 PolarHBondContact N-ND2 3.46Å; Q428-N1503 PolarHBondContact N-OD1 2.72Å; Q428-N1503 PolarHBondContact O-OD1 2.94Å |
| 1504 | S | 30.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | | | trans | 70.1 | 151.9 | 150.2 | -74.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1505 | K | 33.4 | Very low | 33.3 | Very low | 111 Ų | 111 | 116 Ų | 116 | 48% | 0.483 | 62% | 0.623 | S | S | . | * | | | cis | -166.6 | -176.3 | -16.3 | -111.4 | 166.1 | -163.5 | 157.8 | 0 | 108.7 | S429 | S429-K1505 WeakPolarHBondContact O-CE 3.48Š|
| 1506 | F | 39.2 | Very low | 33.6 | Very low | 181 Ų | 181 | 115.3 Ų | 115.3 | 79% | 0.794 | 62% | 0.619 | S | S | * | * | | | cis | -144.3 | 169 | 20.8 | -70 | -95 | 0 | 0 | 0 | 109.3 | | |
| 1507 | N | 45.8 | Very low | 33.6 | Very low | 55 Ų | 55 | 115 Ų | 115 | 29% | 0.294 | 62% | 0.618 | S | S | . | * | | | cis | 92.9 | 102.4 | 14 | -161.3 | -35.5 | 0 | 0 | 0 | 116.6 | P430 C431 | P430-N1507 PolarHBondContact O-ND2 3.47Å; C431-N1507 VanDerWaalsContact CB-ND2 3.29Å; C431-N1507 WeakPolarHBondContact CB-ND2 3.31Å; C431-N1507 WeakPolarHBondContact O-CA 3.4Å; C431-N1507 WeakPolarHBondContact O-CB 3.29Å; C431-N1507 PolarHBondContact O-N 3.15Å; C431-N1507 VanDerWaalsContact O-N 3.11Å |
| 1508 | P | 48 | Very low | 33.6 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 50% | 0.5 | 63% | 0.628 | S | S | . | * | | | | -146.1 | 114 | 120 | 36.4 | -18.2 | 0 | 0 | 0 | 118.6 | D432 | D432-P1508 CarbonylContact O-C 3.59Å; D432-P1508 WeakPolarHBondContact O-CD 2.83Å |
| 1509 | Q | 37.1 | Very low | 33.5 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 65% | 0.65 | 63% | 0.629 | S | S | * | * | | | trans | 64.4 | 143.9 | 130.3 | -57.5 | 171.5 | -41.1 | 0 | 0 | 121.6 | T433 | T433-Q1509 PolarHBondContact OG1-O 3.45Š|
| 1510 | G | 35.6 | Very low | 33.4 | Very low | 62 Ų | 62 | 121.1 Ų | 121.1 | 64% | 0.639 | 65% | 0.646 | S | S | * | * | | | cis | 163.1 | 177 | -8.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1511 | Y | 30.7 | Very low | 33.1 | Very low | 209 Ų | 209 | 121.3 Ų | 121.3 | 82% | 0.82 | 65% | 0.653 | S | S | * | * | | | trans | 77.6 | 151.5 | 168.3 | -57.4 | -84.9 | 0 | 0 | 0 | 119.7 | | |
| 1512 | P | 42.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | | | cis | -146.6 | 174.1 | -41.6 | 42.6 | -26.2 | 0 | 0 | 0 | 117.9 | | |
| 1513 | H | 29.6 | Very low | 33.4 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | | | trans | 81.7 | 114.3 | 147 | -77.6 | -59 | 0 | 0 | 0 | 124.9 | | |
| 1514 | T | 29.1 | Very low | 33.9 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 69% | 0.693 | 68% | 0.676 | S | S | * | * | | | trans | 78.3 | 115 | 132.3 | 50.2 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1515 | N | 29.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | | | | 42 | 154.1 | 101.3 | -94 | 7 | 0 | 0 | 0 | 121.1 | | |
| 1516 | P | 39.1 | Very low | 34.4 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 59% | 0.591 | 70% | 0.7 | S | S | * | * | | | cis | -142.4 | -174.8 | -19.7 | 38.7 | -18.6 | 0 | 0 | 0 | 115.4 | | |
| 1517 | Q | 26.6 | Very low | 34.3 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 69% | 0.693 | S | S | * | * | | | trans | 56.2 | 116.8 | 142.2 | -81.5 | 178.4 | -75.7 | 0 | 0 | 122.9 | | |
| 1518 | L | 26.5 | Very low | 33.7 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | | | | 50.6 | 134.8 | 110.4 | -64.2 | -179.9 | 0 | 0 | 0 | 122.5 | | |
| 1519 | Q | 26.4 | Very low | 32.9 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 73% | 0.734 | S | S | * | * | | | trans | 83.4 | 152.6 | 146.2 | -77.3 | -178.2 | -35.6 | 0 | 0 | 119.7 | | |
| 1520 | P | 27.5 | Very low | 33.3 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | | | trans | -119.7 | 102.3 | -154.6 | 35.7 | -17.5 | 0 | 0 | 0 | 113.5 | | |
| 1521 | T | 26.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | | | trans | -139.5 | 113.7 | 166.8 | 42.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1522 | L | 33.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 135 Ų | 135 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | | | | 62.8 | 119.4 | 86.9 | -80 | 169.3 | 0 | 0 | 0 | 112.9 | | |
| 1523 | Q | 35.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | trans | 73.3 | 156.2 | 169.6 | -51 | -177.2 | 46.6 | 0 | 0 | 115.7 | | |
| 1524 | Q | 38.8 | Very low | 33 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | | | cis | -164.4 | 144 | -23.9 | -108.5 | -171.1 | 102.8 | 0 | 0 | 109.4 | | |
| 1525 | Q | 36.2 | Very low | 33.2 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | | | trans | 63.5 | -174.3 | 148.3 | -58 | -173.9 | -13.6 | 0 | 0 | 116.9 | | |
| 1526 | P | 38.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | | -131.6 | -127.8 | -93.1 | 45.6 | -24.6 | 0 | 0 | 0 | 114.9 | | |
| 1527 | P | 36.8 | Very low | 33.1 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | | | trans | -118.6 | 176.1 | -144.5 | 44.4 | -27.8 | 0 | 0 | 0 | 116 | | |
| 1528 | Q | 34.2 | Very low | 33.4 | Very low | 183 Ų | 183 | 126.7 Ų | 126.7 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | | | trans | 163.2 | 140.8 | 149.6 | -90.1 | 149.7 | 57.2 | 0 | 0 | 108.3 | | |
| 1529 | N | 32 | Very low | 33.7 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | | | cis | 64.8 | 149.4 | 37.8 | -95.7 | -6.4 | 0 | 0 | 0 | 115.2 | | |
| 1530 | P | 44.9 | Very low | 34 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | | | cis | -139.5 | -147.1 | -28.1 | 38.3 | -17 | 0 | 0 | 0 | 111.8 | | |
| 1531 | M | 32.9 | Very low | 34.5 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 86% | 0.862 | 72% | 0.717 | S | S | * | * | | | trans | 83.9 | 132.7 | 167 | -48.5 | -167.7 | -64.1 | 0 | 0 | 117.6 | | |
| 1532 | G | 33.7 | Very low | 34.9 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | | | cis | 158.3 | -173.7 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1533 | I | 34 | Very low | 34.7 | Very low | 156 Ų | 156 | 122 Ų | 122 | 80% | 0.8 | 72% | 0.717 | S | S | * | * | | | trans | 75 | 128.2 | 154.3 | -67.7 | 169 | 0 | 0 | 0 | 115.7 | | |
| 1534 | V | 31.5 | Very low | 34.7 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | | | cis | -167 | 137.8 | -4.7 | 105 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1535 | T | 32.9 | Very low | 34.5 | Very low | 109 Ų | 109 | 120 Ų | 120 | 67% | 0.669 | 73% | 0.727 | S | S | * | * | | | trans | 71.1 | 113.5 | 131 | -62.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1536 | N | 35.4 | Very low | 34.4 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 43% | 0.428 | 73% | 0.726 | S | S | . | * | | | | 80.1 | 148.6 | 92.8 | -147.6 | 21.3 | 0 | 0 | 0 | 113.5 | | |
| 1537 | C | 31.1 | Very low | 34.1 | Very low | 94 Ų | 94 | 118.4 Ų | 118.4 | 64% | 0.635 | 72% | 0.723 | S | S | * | * | | | cis | -144.8 | 174.2 | 19.2 | -40.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1538 | G | 33.5 | Very low | 33.7 | Very low | 47 Ų | 47 | 121 Ų | 121 | 49% | 0.485 | 73% | 0.731 | S | S | . | * | | | cis | 153.5 | 164.7 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 1539 | S | 32.9 | Very low | 33.6 | Very low | 124 Ų | 124 | 117.8 Ų | 117.8 | 87% | 0.867 | 73% | 0.726 | S | S | * | * | | | trans | 68.2 | 149 | 173.1 | 15.1 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1540 | S | 33.1 | Very low | 33.4 | Very low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | | | cis | -166.3 | 132 | -1.9 | 40.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 1541 | L | 36.6 | Very low | 32.8 | Very low | 164 Ų | 164 | 118.5 Ų | 118.5 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | | | trans | 69 | 163.8 | 138.1 | -57.6 | 169.8 | 0 | 0 | 0 | 120 | | |
| 1542 | P | 34.6 | Very low | 32.5 | Very low | 115 Ų | 115 | 115 Ų | 115 | 75% | 0.747 | 73% | 0.729 | S | S | * | * | | | | -138.9 | 173.1 | -58.3 | 41.1 | -25.1 | 0 | 0 | 0 | 115.3 | | |
| 1543 | S | 30.5 | Very low | 32.3 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | | | trans | -87.8 | -180 | 164.7 | -36.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1544 | P | 35.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | | -153.9 | -170.3 | 64.3 | 41.8 | -18.6 | 0 | 0 | 0 | 118.1 | | |
| 1545 | V | 34.6 | Very low | 32 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | -84.5 | 174.9 | -174.1 | -145.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1546 | P | 33.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 125.6 Ų | 125.6 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | | -148.4 | 127.7 | 104.9 | 36.1 | -18.4 | 0 | 0 | 0 | 118.9 | | |
| 1547 | N | 31.5 | Very low | 32.3 | Very low | 133 Ų | 133 | 127.1 Ų | 127.1 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 49.2 | 123 | 129.5 | -63 | -13.5 | 0 | 0 | 0 | 125.5 | | |
| 1548 | L | 30.2 | Very low | 32.2 | Very low | 154 Ų | 154 | 128 Ų | 128 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | 67.3 | 162.3 | 133.8 | -88.8 | 61.2 | 0 | 0 | 0 | 119.8 | | |
| 1549 | P | 30.6 | Very low | 32.2 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | | | cis | -120.6 | 166.9 | 7.1 | 41.6 | -29.3 | 0 | 0 | 0 | 116.4 | | |
| 1550 | T | 27.4 | Very low | 32.2 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -91.3 | 134.4 | 168.5 | 37.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1551 | P | 33 | Very low | 32.1 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | trans | -107.5 | 142.6 | 156 | 34.9 | -28 | 0 | 0 | 0 | 111.6 | | |
| 1552 | S | 27.7 | Very low | 31.8 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -90.5 | 154.1 | -177.9 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1553 | Q | 28.7 | Very low | 31.6 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | 56.1 | 113.6 | 159 | -63.1 | -176.8 | 40.6 | 0 | 0 | 118.3 | | |
| 1554 | Q | 30.8 | Very low | 31.8 | Very low | 191 Ų | 191 | 133 Ų | 133 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | | | | -152.7 | 138 | 109.9 | -112.6 | 169.8 | 3.1 | 0 | 0 | 110.2 | | |
| 1555 | Q | 29.3 | Very low | 31.8 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 144.7 | 165.2 | -66.7 | 172.2 | -60.4 | 0 | 0 | 108.1 | | |
| 1556 | P | 35.7 | Very low | 31.7 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 128 | 159.3 | 27.2 | -32.6 | 0 | 0 | 0 | 106.8 | S1558 | P1556-S1558 PolarHBondContact O-N 3.01Å; P1556-S1558 VanDerWaalsContact O-N 3.15Å |
| 1557 | P | 38.4 | Very low | 31.8 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 127.4 | -178.8 | 24.7 | -33 | 0 | 0 | 0 | 107.7 | I1559 | P1557-I1559 VanDerWaalsContact C-N 3.27Å; P1557-I1559 PolarHBondContact O-N 3.09Å |
| 1558 | S | 28.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | | | trans | -60.5 | 96.7 | 169.9 | 53.9 | 0 | 0 | 0 | 0 | 107.4 | P1556 Q1560 | P1556-S1558 PolarHBondContact O-N 3.01Å; P1556-S1558 VanDerWaalsContact O-N 3.15Å; S1558-Q1560 VanDerWaalsContact C-N 3.3Å; S1558-Q1560 PolarHBondContact O-N 3.35Å |
| 1559 | I | 34 | Very low | 32.3 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | | | trans | -61.2 | 106.1 | 167.4 | -65.8 | -178.3 | 0 | 0 | 0 | 104.5 | P1557 V1561 | P1557-I1559 VanDerWaalsContact C-N 3.27Å; P1557-I1559 PolarHBondContact O-N 3.09Å; I1559-V1561 HydrophobicContact CG2-CG2 3.95Å; I1559-V1561 PolarHBondContact O-N 2.67Å |
| 1560 | Q | 31.6 | Very low | 32.5 | Very low | 179 Ų | 179 | 137.9 Ų | 137.9 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | | | trans | -70.1 | 75.7 | 174.3 | -172.4 | 176.3 | 11.3 | 0 | 0 | 106.6 | S1558 N1562 | S1558-Q1560 VanDerWaalsContact C-N 3.3Å; S1558-Q1560 PolarHBondContact O-N 3.35Å; Q1560-N1562 VanDerWaalsContact C-N 3.33Å; Q1560-N1562 PolarHBondContact O-N 3.49Å |
| 1561 | V | 31.5 | Very low | 32.9 | Very low | 107 Ų | 107 | 136.3 Ų | 136.3 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | trans | -59 | 103.3 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 105.1 | I1559 N1563 | I1559-V1561 HydrophobicContact CG2-CG2 3.95Å; I1559-V1561 PolarHBondContact O-N 2.67Å; V1561-N1563 PolarHBondContact O-N 3.42Å |
| 1562 | N | 31.4 | Very low | 32.9 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | | | trans | -68.9 | 107 | -172.8 | -178 | 30.2 | 0 | 0 | 0 | 108.2 | Q1560 T1564 | Q1560-N1562 VanDerWaalsContact C-N 3.33Å; Q1560-N1562 PolarHBondContact O-N 3.49Å; N1562-T1564 VanDerWaalsContact CG-OG1 3.26Å; N1562-T1564 PolarHBondContact ND2-OG1 2.98Å; N1562-T1564 PolarHBondContact O-N 3.02Å; N1562-T1564 PolarHBondContact OD1-OG1 3.27Å; N1562-T1564 VanDerWaalsContact OD1-OG1 3.12Å |
| 1563 | N | 29.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -71.3 | 67.4 | 179.3 | -88.2 | -17.7 | 0 | 0 | 0 | 110.5 | V1561 F1566 | V1561-N1563 PolarHBondContact O-N 3.42Å; N1563-F1566 HydrophobicContact CB-CD2 3.7Å; N1563-F1566 HydrophobicContact CB-CE2 3.83Å |
| 1564 | T | 34.2 | Very low | 33.9 | Very low | 91 Ų | 91 | 138 Ų | 138 | 56% | 0.558 | 73% | 0.734 | S | S | * | * | | | trans | -125.5 | 37.7 | 174 | -39.5 | 0 | 0 | 0 | 0 | 111 | N1562 | N1562-T1564 VanDerWaalsContact CG-OG1 3.26Å; N1562-T1564 PolarHBondContact ND2-OG1 2.98Å; N1562-T1564 PolarHBondContact O-N 3.02Å; N1562-T1564 PolarHBondContact OD1-OG1 3.27Å; N1562-T1564 VanDerWaalsContact OD1-OG1 3.12Å |
| 1565 | F | 36.2 | Very low | 34 | Very low | 225 Ų | 225 | 135.7 Ų | 135.7 | 99% | 0.987 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -121.2 | 41.8 | 141.5 | -84.6 | -78.9 | 0 | 0 | 0 | 109.6 | | |
| 1566 | F | 32 | Very low | 34.2 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | trans | -79.6 | 153.9 | 166.9 | -114.5 | -109.1 | 0 | 0 | 0 | 110.3 | N1563 | N1563-F1566 HydrophobicContact CB-CD2 3.7Å; N1563-F1566 HydrophobicContact CB-CE2 3.83Å |
| 1567 | N | 35.8 | Very low | 34.1 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 55% | 0.551 | 72% | 0.721 | S | S | * | * | | | trans | 32.4 | 87.9 | 153.2 | -70.2 | 4.7 | 0 | 0 | 0 | 117.5 | Q1569 | N1567-Q1569 HydrophobicContact CB-CB 4.18Å; N1567-Q1569 HydrophobicContact CB-CG 4.38Å; N1567-Q1569 PolarHBondContact ND2-OE1 3.31Å; N1567-Q1569 PolarHBondContact O-N 2.92Å |
| 1568 | A | 32.7 | Very low | 33.9 | Very low | 109 Ų | 109 | 140.5 Ų | 140.5 | 90% | 0.901 | 72% | 0.724 | S | S | * | * | | | trans | -76.2 | 37.8 | 139.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1570 | A1568-L1570 PolarHBondContact O-N 2.85Å; A1568-L1570 VanDerWaalsContact O-N 3.16Å |
| 1569 | Q | 38.3 | Very low | 34.1 | Very low | 144 Ų | 144 | 143.3 Ų | 143.3 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | | | trans | -64.4 | 112.2 | 153.7 | -78.9 | -174.1 | -29.5 | 0 | 0 | 105.4 | N1567 N1571 | N1567-Q1569 HydrophobicContact CB-CB 4.18Å; N1567-Q1569 HydrophobicContact CB-CG 4.38Å; N1567-Q1569 PolarHBondContact ND2-OE1 3.31Å; N1567-Q1569 PolarHBondContact O-N 2.92Å; Q1569-N1571 PolarHBondContact O-N 3.36Å |
| 1570 | L | 34.6 | Very low | 34.1 | Very low | 158 Ų | 158 | 143.1 Ų | 143.1 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | -70.8 | 77.9 | 176.1 | -113.6 | 169.5 | 0 | 0 | 0 | 108.9 | A1568 V1572 | A1568-L1570 PolarHBondContact O-N 2.85Å; A1568-L1570 VanDerWaalsContact O-N 3.16Å; L1570-V1572 HydrophobicContact CD2-CG2 3.82Å; L1570-V1572 PolarHBondContact O-N 3.19Å |
| 1571 | N | 36 | Very low | 34.4 | Very low | 105 Ų | 105 | 139.3 Ų | 139.3 | 56% | 0.561 | 72% | 0.723 | S | S | * | * | | | trans | -75.9 | 73.3 | 179.8 | -168.4 | 26.8 | 0 | 0 | 0 | 109.6 | Q1569 Q1573 | Q1569-N1571 PolarHBondContact O-N 3.36Å; N1571-Q1573 PolarHBondContact ND2-OE1 2.87Å; N1571-Q1573 PolarHBondContact O-N 2.63Å; N1571-Q1573 WeakPolarHBondContact OD1-CG 3.35Å; N1571-Q1573 PolarHBondContact OD1-OE1 3.46Å |
| 1572 | V | 33.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | | | trans | -75.6 | 50.6 | 173.3 | -164.6 | 0 | 0 | 0 | 0 | 109.9 | L1570 Q1574 | L1570-V1572 HydrophobicContact CD2-CG2 3.82Å; L1570-V1572 PolarHBondContact O-N 3.19Å; V1572-Q1574 PolarHBondContact O-N 2.97Å |
| 1573 | Q | 41.5 | Very low | 34.9 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | trans | -76.5 | 105.2 | 167.5 | -85.6 | 173.1 | -7.1 | 0 | 0 | 108.7 | N1571 M1575 | N1571-Q1573 PolarHBondContact ND2-OE1 2.87Å; N1571-Q1573 PolarHBondContact O-N 2.63Å; N1571-Q1573 WeakPolarHBondContact OD1-CG 3.35Å; N1571-Q1573 PolarHBondContact OD1-OE1 3.46Å; Q1573-M1575 PolarHBondContact O-N 2.87Å |
| 1574 | Q | 35.6 | Very low | 35.1 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | | | trans | 65.3 | 37.1 | 161 | -53.6 | -175.3 | 1.5 | 0 | 0 | 117.2 | V1572 N1576 | V1572-Q1574 PolarHBondContact O-N 2.97Å; Q1574-N1576 VanDerWaalsContact C-N 3.32Å; Q1574-N1576 PolarHBondContact O-N 3.34Å; Q1574-N1576 VanDerWaalsContact O-N 3.1Å |
| 1575 | M | 33.8 | Very low | 35.2 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 70% | 0.704 | 71% | 0.708 | S | S | * | * | | | trans | -73.9 | 90.5 | 150.6 | -92 | -78.6 | -81 | 0 | 0 | 108.9 | Q1573 Y1577 | Q1573-M1575 PolarHBondContact O-N 2.87Å; M1575-Y1577 HydrophobicContact CE-CD2 4.15Å; M1575-Y1577 HydrophobicContact CE-CE2 3.85Å; M1575-Y1577 PolarHBondContact O-N 3.24Å; M1575-Y1577 HydrophobicContact SD-CE2 4.4Å |
| 1576 | N | 33.8 | Very low | 35.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | | | trans | -75.7 | 87.1 | -176.3 | -175.8 | 13.7 | 0 | 0 | 0 | 111.8 | Q1574 | Q1574-N1576 VanDerWaalsContact C-N 3.32Å; Q1574-N1576 PolarHBondContact O-N 3.34Å; Q1574-N1576 VanDerWaalsContact O-N 3.1Å |
| 1577 | Y | 32.2 | Very low | 35.3 | Very low | 198 Ų | 198 | 120.5 Ų | 120.5 | 78% | 0.776 | 68% | 0.683 | S | S | * | * | | | trans | -114.2 | 117 | 164.6 | -83.5 | -85.5 | 0 | 0 | 0 | 109.9 | M1575 | M1575-Y1577 HydrophobicContact CE-CD2 4.15Å; M1575-Y1577 HydrophobicContact CE-CE2 3.85Å; M1575-Y1577 PolarHBondContact O-N 3.24Å; M1575-Y1577 HydrophobicContact SD-CE2 4.4Å |
| 1578 | Q | 35.3 | Very low | 35.2 | Very low | 172 Ų | 172 | 121 Ų | 121 | 80% | 0.804 | 68% | 0.682 | S | S | * | * | | | trans | -67.6 | 157.5 | 177.3 | -70.5 | 174.6 | -36.1 | 0 | 0 | 111.6 | V1580 | Q1578-V1580 PolarHBondContact O-N 3.46Š|
| 1579 | H | 32.9 | Very low | 35.2 | Very low | 173 Ų | 173 | 124.2 Ų | 124.2 | 80% | 0.801 | 68% | 0.68 | S | S | * | * | | | trans | -53.2 | 128.5 | 171.8 | -74.7 | -105.1 | 0 | 0 | 0 | 112 | | |
| 1580 | V | 33.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 84% | 0.836 | 68% | 0.676 | S | S | * | * | | | trans | -129.6 | 90.7 | 150.6 | -173.8 | 0 | 0 | 0 | 0 | 107.6 | Q1578 A1582 | Q1578-V1580 PolarHBondContact O-N 3.46Å; V1580-A1582 PolarHBondContact O-N 2.82Å |
| 1581 | S | 37.9 | Very low | 35.3 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | | | trans | -77.7 | 82.5 | -177 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1582 | A | 33.8 | Very low | 35.1 | Very low | 85 Ų | 85 | 123.8 Ų | 123.8 | 70% | 0.702 | 67% | 0.674 | S | S | * | * | | | trans | 65.4 | -176.1 | 158 | 0 | 0 | 0 | 0 | 0 | 115 | V1580 | V1580-A1582 PolarHBondContact O-N 2.82Š|
| 1583 | P | 39.5 | Very low | 34.8 | Very low | 51 Ų | 51 | 125.3 Ų | 125.3 | 33% | 0.331 | 67% | 0.672 | S | S | . | * | | | cis | -140.2 | 109.4 | -3.1 | 33.7 | -11 | 0 | 0 | 0 | 116.5 | L1385 A1386 | L1385-P1583 WeakPolarHBondContact CA-O 2.99Å; L1385-P1583 HydrophobicContact CD2-CG 4.12Å; L1385-P1583 VanDerWaalsContact CD2-O 3.22Å; L1385-P1583 WeakPolarHBondContact CD2-O 3.48Å; L1385-P1583 WeakPolarHBondContact CG-O 3.39Å; A1386-P1583 HydrophobicContact CB-CB 3.32Å; A1386-P1583 HydrophobicContact CB-CG 3.82Å; A1386-P1583 PolarHBondContact N-O 3.48Å |
| 1584 | G | 33.7 | Very low | 34.6 | Very low | 59 Ų | 59 | 123.5 Ų | 123.5 | 61% | 0.608 | 68% | 0.683 | S | S | * | * | B | Isolated β-bridge | trans | 79.1 | 164 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1585 | S | 37 | Very low | 34.5 | Very low | 78 Ų | 78 | 121.5 Ų | 121.5 | 55% | 0.545 | 67% | 0.673 | S | S | . | * | | | trans | 130.1 | 103.9 | -161.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | A1383 S1384 G1587 | A1383-S1585 CarbonylContact O-C 3.55Å; A1383-S1585 WeakPolarHBondContact O-CA 3.14Å; A1383-S1585 VanDerWaalsContact O-CB 3.31Å; A1383-S1585 WeakPolarHBondContact O-CB 3.4Å; A1383-S1585 PolarHBondContact O-N 3.48Å; S1384-S1585 WeakPolarHBondContact OG-CB 3.28Å; S1384-S1585 PolarHBondContact OG-N 3.49Å; S1585-G1587 PolarHBondContact O-N 3.4Å |
| 1586 | T | 34.4 | Very low | 34.6 | Very low | 69 Ų | 69 | 123.6 Ų | 123.6 | 42% | 0.423 | 68% | 0.681 | S | S | . | * | | | | 42.8 | -1.1 | 105.1 | 41.2 | 0 | 0 | 0 | 0 | 119.5 | T1381 S1382 A1383 Q1588 | T1381-T1586 WeakPolarHBondContact O-CG2 3.4Å; S1382-T1586 VanDerWaalsContact C-OG1 3.27Å; S1382-T1586 WeakPolarHBondContact O-CG2 3.49Å; S1382-T1586 PolarHBondContact O-OG1 3.47Å; S1382-T1586 VanDerWaalsContact OG-CG2 3.28Å; S1382-T1586 WeakPolarHBondContact OG-CG2 3.44Å; A1383-T1586 PolarHBondContact N-OG1 2.79Å; A1383-T1586 PolarHBondContact O-N 2.98Å; A1383-T1586 PolarHBondContact O-OG1 3.02Å; T1586-Q1588 PolarHBondContact O-N 3.32Å; T1586-Q1588 VanDerWaalsContact O-N 3.17Å |
| 1587 | G | 35 | Very low | 34.9 | Very low | 60 Ų | 60 | 124.8 Ų | 124.8 | 62% | 0.619 | 68% | 0.682 | S | S | * | * | | | trans | -89.4 | 82.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1585 M1589 | S1585-G1587 PolarHBondContact O-N 3.4Å; G1587-M1589 VanDerWaalsContact C-N 3.33Å; G1587-M1589 PolarHBondContact O-N 3.18Å |
| 1588 | Q | 34.5 | Very low | 35 | Very low | 115 Ų | 115 | 120.7 Ų | 120.7 | 54% | 0.537 | 68% | 0.68 | S | S | . | * | | | trans | -63.1 | 99.3 | 153.4 | -69.5 | -170.6 | 23.7 | 0 | 0 | 108.5 | T1586 Q1590 | T1586-Q1588 PolarHBondContact O-N 3.32Å; T1586-Q1588 VanDerWaalsContact O-N 3.17Å; Q1588-Q1590 PolarHBondContact O-N 2.79Å |
| 1589 | M | 32.3 | Very low | 34.7 | Very low | 175 Ų | 175 | 116.5 Ų | 116.5 | 86% | 0.862 | 67% | 0.67 | S | S | * | * | | | trans | -77.5 | 66.9 | 170.5 | -151.4 | -171.5 | -56.6 | 0 | 0 | 109.9 | G1587 I1591 | G1587-M1589 VanDerWaalsContact C-N 3.33Å; G1587-M1589 PolarHBondContact O-N 3.18Å; M1589-I1591 PolarHBondContact O-N 3Å |
| 1590 | Q | 35.6 | Very low | 34.7 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 58% | 0.575 | 67% | 0.668 | S | S | * | * | | | trans | -71.9 | 93.9 | 177.7 | -177 | -173.3 | 86.2 | 0 | 0 | 109.2 | Q1588 H1592 | Q1588-Q1590 PolarHBondContact O-N 2.79Å; Q1590-H1592 VanDerWaalsContact CD-ND1 3.28Å; Q1590-H1592 HydrophobicContact CG-CB 4.09Å; Q1590-H1592 WeakPolarHBondContact CG-ND1 3.05Å; Q1590-H1592 PolarHBondContact O-N 3.33Å; Q1590-H1592 PolarHBondContact OE1-ND1 3.24Å |
| 1591 | I | 39.5 | Very low | 34.6 | Very low | 159 Ų | 159 | 112.8 Ų | 112.8 | 82% | 0.815 | 66% | 0.66 | S | S | * | * | | | trans | -72.1 | 85.5 | 166.8 | -58.7 | -178.2 | 0 | 0 | 0 | 107.8 | M1589 | M1589-I1591 PolarHBondContact O-N 3Š|
| 1592 | H | 31.5 | Very low | 34.3 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 54% | 0.537 | 66% | 0.663 | S | S | . | * | | | trans | -85.7 | 123.8 | -179 | -133.1 | 63.3 | 0 | 0 | 0 | 110.8 | Q1590 | Q1590-H1592 VanDerWaalsContact CD-ND1 3.28Å; Q1590-H1592 HydrophobicContact CG-CB 4.09Å; Q1590-H1592 WeakPolarHBondContact CG-ND1 3.05Å; Q1590-H1592 PolarHBondContact O-N 3.33Å; Q1590-H1592 PolarHBondContact OE1-ND1 3.24Å |
| 1593 | F | 28.3 | Very low | 34.3 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 62% | 0.618 | 66% | 0.662 | S | S | * | * | | | trans | 50.2 | 103.5 | 145.9 | -75 | -119.6 | 0 | 0 | 0 | 118.9 | Q1595 | F1593-Q1595 HydrophobicContact CD1-CB 3.89Å; F1593-Q1595 HydrophobicContact CE1-CB 4.45Å |
| 1594 | A | 36.7 | Very low | 33.9 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 91% | 0.909 | 68% | 0.684 | S | S | * | * | | | trans | -116.2 | 67.9 | 134.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q1596 | A1594-Q1596 PolarHBondContact O-N 3.47Š|
| 1595 | Q | 33.5 | Very low | 34.1 | Very low | 147 Ų | 147 | 125.8 Ų | 125.8 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | | | trans | -64.6 | 123.2 | 176 | 175.1 | -170.1 | 93.5 | 0 | 0 | 110.1 | F1593 | F1593-Q1595 HydrophobicContact CD1-CB 3.89Å; F1593-Q1595 HydrophobicContact CE1-CB 4.45Å |
| 1596 | Q | 35.2 | Very low | 34.1 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | | | trans | -153.7 | 96.6 | 154.9 | -121.1 | 164 | 102.7 | 0 | 0 | 111.6 | A1594 | A1594-Q1596 PolarHBondContact O-N 3.47Š|
| 1597 | Q | 39.5 | Very low | 34.1 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | | | trans | -68.9 | 147.3 | 148.6 | -66.7 | -178.2 | -5.2 | 0 | 0 | 107.8 | | |
| 1598 | P | 34.9 | Very low | 34.2 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | | -104.9 | 138.9 | 102.6 | -19.1 | 35.7 | 0 | 0 | 0 | 110.6 | | |
| 1599 | S | 30.2 | Very low | 34.3 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 59% | 0.587 | 73% | 0.731 | S | S | * | * | | | | 48.9 | 122 | 53.9 | 81.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1600 | T | 32.6 | Very low | 34.4 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | | | cis | -135 | 140.3 | 46.9 | 43 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1601 | T | 30.4 | Very low | 34.3 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 67% | 0.669 | 73% | 0.733 | S | S | * | * | | | | 75.3 | 148.9 | 67.6 | -44.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1602 | Q | 31.9 | Very low | 34 | Very low | 165 Ų | 165 | 127.9 Ų | 127.9 | 77% | 0.771 | 72% | 0.721 | S | S | * | * | | | trans | 83.2 | 132.5 | 176.5 | -46 | -161.6 | 18.5 | 0 | 0 | 116.9 | | |
| 1603 | H | 35.1 | Very low | 34.2 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | | | cis | -152.8 | 139.4 | -25.8 | -107.9 | -57 | 0 | 0 | 0 | 109.2 | | |
| 1604 | P | 31.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | | | trans | -85.9 | 147.1 | 175.7 | 34.2 | -33.7 | 0 | 0 | 0 | 112.2 | | |
| 1605 | V | 36.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 130 Ų | 130 | 82% | 0.818 | 71% | 0.709 | S | S | * | * | | | trans | -133.5 | 141.8 | 177.2 | 175 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1606 | P | 38.1 | Very low | 33.7 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 165.5 | -142 | -14.5 | 31.9 | 0 | 0 | 0 | 116.9 | | |
| 1607 | P | 33.2 | Very low | 33.5 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 71% | 0.708 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 159.6 | 171.5 | 35.5 | -35.8 | 0 | 0 | 0 | 112.3 | S1609 | P1607-S1609 PolarHBondContact O-N 3.25Š|
| 1608 | P | 38.7 | Very low | 33 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 119.3 | 154.9 | 29.3 | -31.9 | 0 | 0 | 0 | 108 | | |
| 1609 | S | 34.8 | Very low | 32.8 | Very low | 95 Ų | 95 | 122.8 Ų | 122.8 | 66% | 0.664 | 67% | 0.671 | S | S | * | * | | | | 83.7 | 43.2 | 52.5 | 83.7 | 0 | 0 | 0 | 0 | 115 | P1607 | P1607-S1609 PolarHBondContact O-N 3.25Š|
| 1610 | S | 36.3 | Very low | 32.5 | Very low | 118 Ų | 118 | 121.4 Ų | 121.4 | 83% | 0.825 | 66% | 0.661 | S | S | * | * | | | trans | -155.9 | 131.4 | 138.4 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1611 | H | 32.8 | Very low | 32.5 | Very low | 145 Ų | 145 | 117.7 Ų | 117.7 | 67% | 0.671 | 64% | 0.637 | S | S | * | * | | | cis | -152.8 | 155.5 | -43.7 | -133.7 | -112.3 | 0 | 0 | 0 | 105.8 | | |
| 1612 | E | 32.9 | Very low | 32.3 | Very low | 121 Ų | 121 | 113.5 Ų | 113.5 | 57% | 0.565 | 61% | 0.61 | S | S | * | * | | | trans | 41.8 | 118.7 | 156.1 | -71.2 | 170.5 | -125.4 | 0 | 0 | 120.9 | | |
| 1613 | H | 36.6 | Very low | 32.2 | Very low | 128 Ų | 128 | 107 Ų | 107 | 59% | 0.593 | 58% | 0.581 | S | S | * | * | | | cis | -143.3 | 154 | 7.7 | -115.3 | -102.3 | 0 | 0 | 0 | 105.8 | M843 | M843-H1613 HydrophobicContact CE-CB 4.07Å; M843-H1613 VanDerWaalsContact CE-O 3.29Å; M843-H1613 WeakPolarHBondContact CE-O 3.4Å |
| 1614 | L | 29.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 101.7 Ų | 101.7 | 53% | 0.534 | 56% | 0.557 | S | S | . | * | | | cis | 73.9 | 101.3 | 30.8 | -66.7 | 177.3 | 0 | 0 | 0 | 115.8 | | |
| 1615 | R | 27.8 | Very low | 32.5 | Very low | 181 Ų | 181 | 100.1 Ų | 100.1 | 68% | 0.683 | 54% | 0.543 | S | S | * | . | | | trans | 70.5 | 162.6 | 154.9 | -49.6 | 160.6 | -174.4 | 170.9 | 0.8 | 111.9 | M843 | M843-R1615 VanDerWaalsContact CE-O 3.28Å; M843-R1615 WeakPolarHBondContact CE-O 3.39Å; M843-R1615 VanDerWaalsContact CG-O 3.3Å; M843-R1615 WeakPolarHBondContact CG-O 3.42Å |
| 1616 | S | 30.4 | Very low | 32.4 | Very low | 69 Ų | 69 | 98 Ų | 98 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | | | cis | -151.2 | 143.7 | 29.1 | -98.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1617 | V | 31.9 | Very low | 32.2 | Very low | 94 Ų | 94 | 96.9 Ų | 96.9 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | | | | 80.7 | 133.1 | 63.7 | 166.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1618 | R | 28 | Very low | 32 | Very low | 213 Ų | 213 | 97.2 Ų | 97.2 | 80% | 0.804 | 52% | 0.521 | S | S | * | . | | | trans | 72.9 | 175 | 171.4 | -70.8 | 159.4 | -160 | 168.3 | 4.2 | 116.9 | | |
| 1619 | Q | 30.1 | Very low | 31.6 | Very low | 83 Ų | 83 | 97.9 Ų | 97.9 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | | | trans | 71.2 | 139.2 | 172.1 | -81.2 | 102.8 | 19.1 | 0 | 0 | 113.4 | M847 | M847-Q1619 VanDerWaalsContact N-CD 3.27Å; M847-Q1619 VanDerWaalsContact N-OE1 3.11Å |
| 1620 | S | 25.5 | Very low | 31.5 | Very low | 56 Ų | 56 | 103 Ų | 103 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | | | | 60.6 | 139 | 55.6 | -43.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1621 | D | 31.2 | Very low | 31.2 | Very low | 45 Ų | 45 | 104.4 Ų | 104.4 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | | | trans | 68.6 | 106.6 | 169.7 | -33.4 | -52.6 | 0 | 0 | 0 | 111.8 | S848 M849 Q2128 | S848-D1621 WeakPolarHBondContact CA-OD2 3.37Å; S848-D1621 PolarHBondContact N-OD2 2.91Å; M849-D1621 VanDerWaalsContact N-CG 3.31Å; M849-D1621 PolarHBondContact N-OD1 2.71Å; M849-D1621 PolarHBondContact N-OD2 3.38Å; D1621-Q2128 VanDerWaalsContact C-NE2 3.26Å; D1621-Q2128 VanDerWaalsContact N-CD 3.3Å; D1621-Q2128 PolarHBondContact O-NE2 3.38Å |
| 1622 | N | 26 | Very low | 31.2 | Very low | 22 Ų | 22 | 103.2 Ų | 103.2 | 12% | 0.118 | 52% | 0.521 | C | S | . | . | | | | 51.7 | 116.5 | 70.4 | -54.6 | -36.7 | 0 | 0 | 0 | 111.1 | S2127 Q2128 | N1622-S2127 WeakPolarHBondContact OD1-CA 3.47Å; N1622-Q2128 WeakPolarHBondContact OD1-CB 3.08Å; N1622-Q2128 WeakPolarHBondContact OD1-CG 3.35Å; N1622-Q2128 PolarHBondContact OD1-N 3.14Å |
| 1623 | N | 31.4 | Very low | 31.2 | Very low | 27 Ų | 27 | 104.4 Ų | 104.4 | 14% | 0.144 | 53% | 0.531 | C | S | . | . | | | | 78.7 | 138.4 | 124.6 | -67.2 | 45.7 | 0 | 0 | 0 | 115.7 | T1374 S2125 H2126 | T1374-N1623 WeakPolarHBondContact CB-OD1 3.32Å; T1374-N1623 PolarHBondContact O-ND2 3.33Å; T1374-N1623 VanDerWaalsContact O-ND2 3.15Å; T1374-N1623 VanDerWaalsContact OG1-CG 3.27Å; T1374-N1623 PolarHBondContact OG1-OD1 3.27Å; N1623-S2125 PolarHBondContact ND2-O 2.8Å; N1623-H2126 PolarHBondContact ND2-N 3.2Å; N1623-H2126 PolarHBondContact ND2-O 2.98Å; N1623-H2126 PolarHBondContact OD1-O 2.94Å |
| 1624 | N | 35.8 | Very low | 31 | Very low | 36 Ų | 36 | 102.2 Ų | 102.2 | 19% | 0.193 | 53% | 0.53 | C | S | . | . | | | cis | -167.4 | 160.1 | 13.9 | -119.9 | 13.2 | 0 | 0 | 0 | 112.9 | S1372 S1373 T1374 L2123 N2124 S2125 | S1372-N1624 VanDerWaalsContact C-CB 3.43Å; S1372-N1624 VanDerWaalsContact C-ND2 3.3Å; S1372-N1624 VanDerWaalsContact CA-C 3.5Å; S1372-N1624 VanDerWaalsContact CB-C 3.47Å; S1373-N1624 VanDerWaalsContact C-ND2 3.35Å; S1373-N1624 WeakPolarHBondContact CA-OD1 3.26Å; S1373-N1624 WeakPolarHBondContact CB-OD1 3.43Å; S1373-N1624 PolarHBondContact N-ND2 2.82Å; S1373-N1624 PolarHBondContact N-OD1 3.01Å; S1373-N1624 PolarHBondContact O-ND2 3.5Å; S1373-N1624 PolarHBondContact O-OD1 2.84Å; S1373-N1624 WeakPolarHBondContact OG-CA 3.38Å; S1373-N1624 PolarHBondContact OG-OD1 2.79Å; T1374-N1624 PolarHBondContact N-OD1 2.76Å; T1374-N1624 PolarHBondContact OG1-OD1 3.02Å; N1624-L2123 WeakPolarHBondContact CB-O 3.41Å; N1624-L2123 PolarHBondContact N-O 3.34Å; N1624-N2124 VanDerWaalsContact CB-O 3.28Å; N1624-N2124 WeakPolarHBondContact CB-O 3.45Å; N1624-N2124 VanDerWaalsContact ND2-C 3.3Å; N1624-N2124 PolarHBondContact ND2-O 3.09Å; N1624-S2125 PolarHBondContact ND2-N 2.83Å |
| 1625 | N | 35.1 | Very low | 31.2 | Very low | 89 Ų | 89 | 101.1 Ų | 101.1 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | | | trans | -10.5 | 165.3 | 176 | -48.1 | -61.2 | 0 | 0 | 0 | 119.8 | S1372 S1373 | S1372-N1625 VanDerWaalsContact CA-N 3.28Å; S1372-N1625 WeakPolarHBondContact CA-O 3.34Å; S1372-N1625 PolarHBondContact N-O 3.34Å; S1372-N1625 PolarHBondContact O-ND2 3.06Å; S1373-N1625 VanDerWaalsContact CA-ND2 3.33Å; S1373-N1625 WeakPolarHBondContact CA-ND2 3.41Å; S1373-N1625 WeakPolarHBondContact CA-OD1 3.41Å; S1373-N1625 WeakPolarHBondContact CB-OD1 3Å; S1373-N1625 PolarHBondContact N-ND2 3.45Å; S1373-N1625 VanDerWaalsContact N-ND2 3.11Å; S1373-N1625 PolarHBondContact OG-N 3.46Å |
| 1626 | N | 34.2 | Very low | 31.4 | Very low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | | | trans | 93.8 | 100.2 | 144.9 | -76.3 | 7.4 | 0 | 0 | 0 | 115.4 | P1371 | P1371-N1626 HydrophobicContact CB-CB 4.32Š|
| 1627 | S | 33.5 | Very low | 31.4 | Very low | 93 Ų | 93 | 100.4 Ų | 100.4 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | | | | -171.5 | 141.4 | 94.9 | -80.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1628 | T | 30.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 103.5 Ų | 103.5 | 71% | 0.706 | 53% | 0.534 | S | S | * | . | | | | 60.1 | 108.5 | 126 | -55.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1629 | I | 30 | Very low | 31.5 | Very low | 133 Ų | 133 | 97.9 Ų | 97.9 | 68% | 0.682 | 52% | 0.523 | S | S | * | . | | | | 55.4 | 152.5 | 121.9 | -58.6 | 173.4 | 0 | 0 | 0 | 119.6 | | |
| 1630 | R | 32.2 | Very low | 31.4 | Very low | 203 Ų | 203 | 98.3 Ų | 98.3 | 77% | 0.766 | 54% | 0.535 | S | S | * | . | | | trans | 78.9 | 116.6 | 174.8 | -75.4 | 134.4 | -157.8 | -105.1 | 0.9 | 113.5 | | |
| 1631 | M | 30.2 | Very low | 31.6 | Very low | 146 Ų | 146 | 102.1 Ų | 102.1 | 72% | 0.719 | 55% | 0.552 | S | S | * | * | | | | 79.5 | 152.3 | 53.6 | -73.1 | -161.6 | -79.2 | 0 | 0 | 113.3 | | |
| 1632 | T | 33.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 105.5 Ų | 105.5 | 74% | 0.742 | 57% | 0.57 | S | S | * | * | | | trans | 66.3 | 109.1 | 163 | 43.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1633 | N | 31.6 | Very low | 31.8 | Very low | 145 Ų | 145 | 111.9 Ų | 111.9 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | | | | 86.8 | 161 | 55.2 | -172.3 | 40.1 | 0 | 0 | 0 | 111.6 | | |
| 1634 | S | 34.2 | Very low | 32 | Very low | 82 Ų | 82 | 114.6 Ų | 114.6 | 57% | 0.573 | 62% | 0.618 | S | S | * | * | | | trans | 74.2 | 110.8 | 172.4 | -52.5 | 0 | 0 | 0 | 0 | 115 | | |
| 1635 | S | 31.9 | Very low | 31.8 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 55% | 0.552 | 64% | 0.637 | S | S | * | * | | | | 33.3 | 135.7 | 90.8 | -43.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1636 | N | 32.2 | Very low | 31.6 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 62% | 0.62 | 64% | 0.641 | S | S | * | * | | | | -144.3 | 133.3 | 71 | -97.1 | 22.7 | 0 | 0 | 0 | 114.8 | | |
| 1637 | E | 30.7 | Very low | 31.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | | | | 68.6 | 131.1 | 121.6 | -64 | 172.7 | 161.7 | 0 | 0 | 121.1 | | |
| 1638 | Y | 30.3 | Very low | 31.2 | Very low | 159 Ų | 159 | 126 Ų | 126 | 62% | 0.624 | 66% | 0.656 | S | S | * | * | | | | 83.1 | 98.8 | 128.1 | -85.2 | -115.3 | 0 | 0 | 0 | 120.6 | E798 | E798-Y1638 HydrophobicContact CB-CE2 4.4Å; E798-Y1638 HydrophobicContact CG-CE2 4.06Å |
| 1639 | T | 30.7 | Very low | 31.3 | Very low | 95 Ų | 95 | 125.3 Ų | 125.3 | 58% | 0.583 | 65% | 0.652 | S | S | * | * | | | | 64.6 | 105.7 | 119.9 | 62.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1640 | S | 29.4 | Very low | 31.4 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 64% | 0.643 | 65% | 0.652 | S | S | * | * | | | | 91.6 | 142.8 | 113.2 | 82.3 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1641 | N | 29.6 | Very low | 31.5 | Very low | 137 Ų | 137 | 118.3 Ų | 118.3 | 73% | 0.733 | 65% | 0.646 | S | S | * | * | | | trans | 47.4 | 117.4 | 130.4 | -55.2 | -6.6 | 0 | 0 | 0 | 116.7 | | |
| 1642 | N | 30.9 | Very low | 31.8 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 62% | 0.62 | 65% | 0.647 | S | S | * | * | | | cis | -171 | 155.6 | 42.1 | -122 | -23.2 | 0 | 0 | 0 | 115.2 | | |
| 1643 | H | 31.2 | Very low | 31.6 | Very low | 156 Ų | 156 | 119.2 Ų | 119.2 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | | | trans | 64.5 | 170.7 | 149.1 | -63.3 | -31.9 | 0 | 0 | 0 | 119.2 | | |
| 1644 | P | 33.9 | Very low | 31.8 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | | | cis | -122.2 | 157.5 | -9.8 | 9.7 | 15.4 | 0 | 0 | 0 | 116.3 | | |
| 1645 | L | 31.7 | Very low | 31.7 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | | | trans | 38.1 | 123.8 | 133.5 | -51.3 | 167.8 | 0 | 0 | 0 | 121.2 | T1157 K1158 | T1157-L1645 CarbonylContact C-O 3.08Å; T1157-L1645 VanDerWaalsContact O-O 3.13Å; K1158-L1645 CarbonylContact C-O 2.94Å; K1158-L1645 WeakPolarHBondContact CA-O 3.28Å; K1158-L1645 PolarHBondContact N-O 3.47Å |
| 1646 | L | 32.1 | Very low | 31.8 | Very low | 105 Ų | 105 | 122 Ų | 122 | 55% | 0.55 | 65% | 0.645 | S | S | . | * | | | | -169.2 | 153.8 | 100.9 | -122.4 | -169.6 | 0 | 0 | 0 | 114.2 | T1157 | T1157-L1646 VanDerWaalsContact CA-CG 3.47Š|
| 1647 | Y | 30.6 | Very low | 31.9 | Very low | 200 Ų | 200 | 123.8 Ų | 123.8 | 78% | 0.784 | 65% | 0.65 | S | S | * | * | | | trans | -110.5 | 164.4 | 174.3 | -103.2 | -83.7 | 0 | 0 | 0 | 113.4 | | |
| 1648 | N | 29.1 | Very low | 32 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | | | trans | 78.6 | 125.8 | 139.7 | -82.6 | -4.7 | 0 | 0 | 0 | 123.8 | | |
| 1649 | T | 31.9 | Very low | 31.9 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 61% | 0.613 | 65% | 0.651 | S | S | * | * | | | | 63.5 | 129.5 | 123 | -38 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1650 | D | 31.5 | Very low | 32.1 | Very low | 129 Ų | 129 | 128 Ų | 128 | 69% | 0.69 | 66% | 0.66 | S | S | * | * | | | | 179 | 149.3 | 118.2 | -80.9 | -36.8 | 0 | 0 | 0 | 110.6 | R1154 | R1154-D1650 IonicContact CZ-OD2 3.18Å; R1154-D1650 IonicContact NH2-OD2 2.67Å; R1154-D1650 PolarHBondContact NH2-OD2 2.91Å |
| 1651 | G | 34.8 | Very low | 32.2 | Very low | 61 Ų | 61 | 129.5 Ų | 129.5 | 63% | 0.629 | 66% | 0.664 | S | S | * | * | | | trans | 140.7 | 68.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 1652 | I | 36.4 | Very low | 32.4 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | | | | 63.5 | 96.8 | 92.8 | -56.4 | 166.5 | 0 | 0 | 0 | 110.1 | | |
| 1653 | N | 28.8 | Very low | 32.3 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | | | | 74.6 | 159.5 | 57.4 | -159.1 | 10.3 | 0 | 0 | 0 | 112.9 | | |
| 1654 | H | 35.5 | Very low | 32 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 60% | 0.602 | 67% | 0.672 | S | S | * | * | | | trans | 70.8 | 141.2 | -168.7 | -49.4 | -91.2 | 0 | 0 | 0 | 112.9 | | |
| 1655 | H | 33.2 | Very low | 32.1 | Very low | 158 Ų | 158 | 129 Ų | 129 | 73% | 0.731 | 68% | 0.68 | S | S | * | * | | | cis | -165.1 | 163.7 | -6.6 | -105.2 | -14.6 | 0 | 0 | 0 | 106.8 | | |
| 1656 | S | 33 | Very low | 31.8 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 52% | 0.524 | 68% | 0.684 | S | S | . | * | | | cis | 178.2 | 154.8 | -12 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1657 | H | 34.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | | | trans | 62.7 | 163.1 | 153.2 | -68.2 | -59 | 0 | 0 | 0 | 116.3 | | |
| 1658 | H | 32.4 | Very low | 31.5 | Very low | 142 Ų | 142 | 127.7 Ų | 127.7 | 66% | 0.657 | 69% | 0.694 | S | S | * | * | | | cis | -163.1 | 172.4 | -13.7 | -122 | -4.9 | 0 | 0 | 0 | 109.2 | | |
| 1659 | Q | 29.3 | Very low | 31.6 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 54% | 0.537 | 70% | 0.704 | S | S | . | * | | | cis | -157.1 | 167.9 | -4.4 | -160.5 | -178.9 | 73.2 | 0 | 0 | 108.6 | | |
| 1660 | R | 34.6 | Very low | 31.7 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 77% | 0.774 | 71% | 0.713 | S | S | * | * | | | trans | 81.6 | 152.5 | 157.4 | -65.2 | -163.4 | -75.3 | -97.5 | 12.6 | 118.9 | | |
| 1661 | V | 31.2 | Very low | 31.8 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 74% | 0.739 | 72% | 0.72 | S | S | * | * | | | cis | 170.9 | 151.1 | -36.3 | 131.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 1662 | V | 33.2 | Very low | 31.6 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 67% | 0.673 | 72% | 0.72 | S | S | * | * | | | trans | 73.9 | 106.5 | 163.9 | 154.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1663 | D | 29.5 | Very low | 31.3 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | | 64.7 | 153.6 | 123.9 | -44.6 | -18.7 | 0 | 0 | 0 | 124.5 | | |
| 1664 | C | 25.3 | Very low | 31.6 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | | | trans | -87.7 | -165.9 | 173.1 | -32.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1665 | P | 34.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 72% | 0.717 | S | S | * | * | | | cis | -133.3 | -165.4 | -17.9 | 26.4 | -2.2 | 0 | 0 | 0 | 112.7 | | |
| 1666 | S | 26.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | | | trans | 93.7 | 146.8 | 144.6 | -44.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 1667 | K | 27.9 | Very low | 31.5 | Very low | 194 Ų | 194 | 126.5 Ų | 126.5 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | | | trans | 63.3 | 108.4 | 158.6 | -69.2 | 177 | 179.7 | -177.2 | 0 | 116.4 | | |
| 1668 | S | 28.6 | Very low | 31.2 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | | | | 90.5 | 119.8 | 50.9 | 70.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1669 | E | 31.8 | Very low | 31 | Very low | 191 Ų | 191 | 123.1 Ų | 123.1 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | | | | -159.2 | 148.4 | 119.8 | -110.6 | 170.7 | 156.9 | 0 | 0 | 112.2 | | |
| 1670 | I | 33.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 124.4 Ų | 124.4 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | | | trans | -126.5 | 127.8 | 179.7 | -75 | 170.3 | 0 | 0 | 0 | 104 | | |
| 1671 | P | 34.1 | Very low | 30.6 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 72% | 0.72 | S | S | * | * | | | | -153.1 | 165.2 | 96.8 | 37.6 | -18.5 | 0 | 0 | 0 | 115.8 | | |
| 1672 | G | 30.2 | Very low | 30.5 | Very low | 60 Ų | 60 | 119.4 Ų | 119.4 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | | | cis | 152.5 | 166.5 | -8.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1673 | V | 30.4 | Very low | 30.3 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | trans | 77.2 | 123.9 | 153.2 | -176.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1674 | I | 34.9 | Very low | 30.3 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | | | cis | 92.1 | 143.6 | 21.8 | -61.9 | 173.1 | 0 | 0 | 0 | 112.6 | | |
| 1675 | P | 38.8 | Very low | 30.4 | Very low | 77 Ų | 77 | 118.1 Ų | 118.1 | 50% | 0.5 | 72% | 0.716 | S | S | . | * | | | cis | -157 | -160.6 | -30.3 | 48.5 | -28.4 | 0 | 0 | 0 | 117.1 | | |
| 1676 | S | 30.1 | Very low | 30.1 | Very low | 73 Ų | 73 | 118.2 Ų | 118.2 | 51% | 0.51 | 72% | 0.717 | S | S | . | * | | | trans | 60 | 125.4 | 135.5 | -56 | 0 | 0 | 0 | 0 | 127.1 | | |
| 1677 | S | 30.9 | Very low | 30.6 | Very low | 81 Ų | 81 | 119.4 Ų | 119.4 | 57% | 0.566 | 72% | 0.721 | S | S | * | * | | | | 56.4 | 133.4 | 122.9 | 75.1 | 0 | 0 | 0 | 0 | 125 | | |
| 1678 | S | 27.7 | Very low | 30.9 | Very low | 98 Ų | 98 | 115.2 Ų | 115.2 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | | | trans | -171.1 | 134.2 | 138.2 | -82.5 | 0 | 0 | 0 | 0 | 110 | | |
| 1679 | V | 28 | Very low | 31.1 | Very low | 127 Ų | 127 | 118.5 Ų | 118.5 | 77% | 0.77 | 72% | 0.722 | S | S | * | * | | | | 41 | 146.1 | 85.9 | -72.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1680 | I | 28.3 | Very low | 31 | Very low | 142 Ų | 142 | 112.7 Ų | 112.7 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | | | cis | -151.4 | -179.7 | 25.9 | -8.6 | 174.1 | 0 | 0 | 0 | 113.6 | | |
| 1681 | T | 27.1 | Very low | 31 | Very low | 123 Ų | 123 | 110.5 Ų | 110.5 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | | | trans | 70.6 | 147.9 | 156.3 | 46.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1682 | S | 29.6 | Very low | 30.7 | Very low | 99 Ų | 99 | 109.3 Ų | 109.3 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | cis | -156.9 | 147.7 | 2.1 | -120.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1683 | S | 27.7 | Very low | 30.8 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | | | trans | 20.4 | 153.3 | 142.1 | 66 | 0 | 0 | 0 | 0 | 123.3 | | |
| 1684 | V | 30.2 | Very low | 31 | Very low | 124 Ų | 124 | 112.7 Ų | 112.7 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | cis | -161.2 | 156.9 | 21.3 | -124.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1685 | V | 28.3 | Very low | 30.8 | Very low | 126 Ų | 126 | 109.2 Ų | 109.2 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | | | trans | 54.4 | 130.8 | 140.3 | 170.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1686 | C | 28.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 109.4 Ų | 109.4 | 75% | 0.75 | 73% | 0.731 | S | S | * | * | | | cis | -158.3 | 150 | -6.1 | -118.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1687 | T | 36.7 | Very low | 30.5 | Very low | 125 Ų | 125 | 109.5 Ų | 109.5 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | | | trans | -60.6 | 161.3 | 154 | 0.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1688 | P | 35.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 111.7 Ų | 111.7 | 69% | 0.688 | 76% | 0.759 | S | S | * | * | | | | -157.7 | 153.9 | 77.8 | 40.4 | -20.1 | 0 | 0 | 0 | 119.7 | | |
| 1689 | L | 30.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 111.5 Ų | 111.5 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | | | trans | 57.8 | 147.7 | 145.3 | -60.8 | 162.6 | 0 | 0 | 0 | 118.5 | | |
| 1690 | G | 31.5 | Very low | 30.8 | Very low | 69 Ų | 69 | 108.2 Ų | 108.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | cis | 165.7 | 164 | 5.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1691 | S | 32 | Very low | 30.9 | Very low | 109 Ų | 109 | 113 Ų | 113 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | | | cis | -154 | 149.1 | 11.2 | -77.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1692 | S | 28.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 110.4 Ų | 110.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | | 55.5 | 129 | 86.3 | -130.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1693 | V | 32.7 | Very low | 31 | Very low | 126 Ų | 126 | 113.7 Ų | 113.7 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | cis | -162.4 | 172.3 | 0.9 | -112.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1694 | V | 33.8 | Very low | 31.1 | Very low | 133 Ų | 133 | 113.4 Ų | 113.4 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | cis | -150.2 | 169.8 | 5.3 | -111.6 | 0 | 0 | 0 | 0 | 107 | | |
| 1695 | G | 31.4 | Very low | 31 | Very low | 73 Ų | 73 | 112.1 Ų | 112.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | cis | 115.4 | 85.3 | -2.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1696 | G | 31.1 | Very low | 31.1 | Very low | 81 Ų | 81 | 112.9 Ų | 112.9 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | trans | -179.5 | 130.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1697 | G | 31.5 | Very low | 31.1 | Very low | 76 Ų | 76 | 116.5 Ų | 116.5 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 84 | 108.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1698 | S | 29.7 | Very low | 30.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 88% | 0.881 | 78% | 0.776 | S | S | * | * | | | cis | 68.8 | 124.2 | 37.5 | -159.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1699 | A | 32.3 | Very low | 30.8 | Very low | 95 Ų | 95 | 117.3 Ų | 117.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | cis | -163.3 | 170.6 | -10 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1700 | G | 30.4 | Very low | 31.1 | Very low | 58 Ų | 58 | 115.1 Ų | 115.1 | 60% | 0.598 | 77% | 0.77 | S | S | * | * | | | cis | 164.7 | 173.9 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1701 | Y | 30.8 | Very low | 31.2 | Very low | 242 Ų | 242 | 122.5 Ų | 122.5 | 95% | 0.949 | 78% | 0.776 | S | S | * | * | | | trans | 66.8 | 144.3 | 178.2 | -52.1 | -87.1 | 0 | 0 | 0 | 117.4 | | |
| 1702 | G | 30.6 | Very low | 31.8 | Very low | 68 Ų | 68 | 121.2 Ų | 121.2 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | | | cis | 164.6 | 110.6 | -13.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1703 | N | 29 | Very low | 32.2 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | 67.1 | 157.6 | 139.4 | -142.6 | -8.5 | 0 | 0 | 0 | 121.1 | | |
| 1704 | A | 28.2 | Very low | 32.5 | Very low | 90 Ų | 90 | 123.6 Ų | 123.6 | 74% | 0.744 | 77% | 0.767 | S | S | * | * | | | trans | 64.8 | 148.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 1705 | S | 28.4 | Very low | 32.6 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | | | cis | -155.1 | 141.2 | 24.1 | 58.1 | 0 | 0 | 0 | 0 | 115 | | |
| 1706 | I | 30.3 | Very low | 32.7 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | | | trans | 57.4 | 104.4 | 147.4 | -49.3 | 162.3 | 0 | 0 | 0 | 117.9 | I1708 | I1706-I1708 HydrophobicContact CG2-CD1 4.16Å; I1706-I1708 HydrophobicContact CG2-CG1 3.57Å; I1706-I1708 PolarHBondContact O-N 3.01Å |
| 1707 | Q | 28.3 | Very low | 32.8 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | -74.9 | 113.1 | 159.7 | -179.6 | -179.6 | 11.5 | 0 | 0 | 110.1 | | |
| 1708 | I | 32.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | | | trans | -107.8 | 111 | 170 | -53.4 | -173.6 | 0 | 0 | 0 | 109.1 | I1706 | I1706-I1708 HydrophobicContact CG2-CD1 4.16Å; I1706-I1708 HydrophobicContact CG2-CG1 3.57Å; I1706-I1708 PolarHBondContact O-N 3.01Å |
| 1709 | T | 33.5 | Very low | 33 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 64% | 0.644 | 75% | 0.752 | S | S | * | * | | | trans | -70.1 | 124.3 | 174.2 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | R1711 | T1709-R1711 PolarHBondContact O-N 3.38Š|
| 1710 | P | 36.8 | Very low | 32.9 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | | | trans | -72.7 | 98.4 | 175.1 | 29.4 | -33.2 | 0 | 0 | 0 | 110.2 | | |
| 1711 | R | 33.8 | Very low | 33 | Very low | 223 Ų | 223 | 138.9 Ų | 138.9 | 84% | 0.842 | 75% | 0.746 | S | S | * | * | | | trans | -76.4 | 127 | 167.2 | -96.8 | -174.6 | 172.8 | 174.8 | -2.6 | 110.1 | T1709 | T1709-R1711 PolarHBondContact O-N 3.38Š|
| 1712 | T | 43.9 | Very low | 33.1 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 51% | 0.509 | 74% | 0.744 | S | S | . | * | | | trans | 31.6 | 117.8 | 146.9 | 39.6 | 0 | 0 | 0 | 0 | 118.3 | H1714 | T1712-H1714 VanDerWaalsContact C-N 3.33Å; T1712-H1714 PolarHBondContact O-CD2 3.23Å; T1712-H1714 PolarHBondContact O-N 2.8Å; T1712-H1714 PolarHBondContact OG1-CD2 3.36Å; T1712-H1714 PolarHBondContact OG1-NE2 2.78Å |
| 1713 | P | 36.9 | Very low | 33.1 | Very low | 138 Ų | 138 | 135 Ų | 135 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | | | trans | -69 | 89.5 | 170.2 | 30.4 | -33.8 | 0 | 0 | 0 | 110.2 | | |
| 1714 | H | 38.6 | Very low | 33.4 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | trans | -69.4 | 133.9 | 178.3 | -75.7 | -80.9 | 0 | 0 | 0 | 111.5 | T1712 I1716 | T1712-H1714 VanDerWaalsContact C-N 3.33Å; T1712-H1714 PolarHBondContact O-CD2 3.23Å; T1712-H1714 PolarHBondContact O-N 2.8Å; T1712-H1714 PolarHBondContact OG1-CD2 3.36Å; T1712-H1714 PolarHBondContact OG1-NE2 2.78Å; H1714-I1716 PolarHBondContact O-N 3.48Å |
| 1715 | T | 36 | Very low | 33.5 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | trans | -47.1 | 123.2 | 171 | -42.7 | 0 | 0 | 0 | 0 | 111 | Q1717 | T1715-Q1717 PolarHBondContact O-N 3.13Š|
| 1716 | I | 33 | Very low | 33.6 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 68% | 0.677 | 74% | 0.736 | S | S | * | * | | | trans | -76 | 76.3 | 180 | -50.8 | 179.7 | 0 | 0 | 0 | 109.8 | H1714 Y1718 | H1714-I1716 PolarHBondContact O-N 3.48Å; I1716-Y1718 HydrophobicContact CG2-CD2 3.92Å; I1716-Y1718 HydrophobicContact CG2-CE2 3.55Å; I1716-Y1718 PolarHBondContact O-N 3.02Å |
| 1717 | Q | 34.5 | Very low | 33.7 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | | | trans | -74 | 106 | 165.7 | -71.4 | -170 | 1.4 | 0 | 0 | 109.3 | T1715 L1719 | T1715-Q1717 PolarHBondContact O-N 3.13Å; Q1717-L1719 PolarHBondContact O-N 2.84Å |
| 1718 | Y | 30.4 | Very low | 33.8 | Very low | 210 Ų | 210 | 130.7 Ų | 130.7 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | | | trans | -70.6 | 77.1 | 170.4 | -75.8 | -87.2 | 0 | 0 | 0 | 110.8 | I1716 P1720 | I1716-Y1718 HydrophobicContact CG2-CD2 3.92Å; I1716-Y1718 HydrophobicContact CG2-CE2 3.55Å; I1716-Y1718 PolarHBondContact O-N 3.02Å; Y1718-P1720 WeakPolarHBondContact O-CD 3.17Å |
| 1719 | L | 34.5 | Very low | 33.7 | Very low | 149 Ų | 149 | 128.1 Ų | 128.1 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | | | trans | -66.7 | 121.9 | 171.6 | -82 | 167.5 | 0 | 0 | 0 | 110.2 | Q1717 | Q1717-L1719 PolarHBondContact O-N 2.84Š|
| 1720 | P | 30.8 | Very low | 33.7 | Very low | 74 Ų | 74 | 129.9 Ų | 129.9 | 48% | 0.481 | 71% | 0.706 | S | S | . | * | | | trans | -84.8 | 146.5 | -176.7 | 34.4 | -35.9 | 0 | 0 | 0 | 112.6 | Y1718 | Y1718-P1720 WeakPolarHBondContact O-CD 3.17Š|
| 1721 | T | 31.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 70% | 0.703 | S | S | * | * | | | trans | 34.5 | 107 | 142.7 | -48.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1722 | V | 32.9 | Very low | 33.6 | Very low | 150 Ų | 150 | 122.4 Ų | 122.4 | 91% | 0.909 | 70% | 0.7 | S | S | * | * | | | trans | -107.3 | 133.8 | 140.2 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1723 | A | 30.5 | Very low | 32.9 | Very low | 78 Ų | 78 | 124 Ų | 124 | 65% | 0.645 | 71% | 0.714 | S | S | * | * | | | trans | -86 | 158.5 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1724 | P | 36 | Very low | 32.7 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 73% | 0.734 | 70% | 0.703 | S | S | * | * | | | trans | -87.2 | 154.6 | -175.5 | 35.1 | -35.6 | 0 | 0 | 0 | 112.8 | | |
| 1725 | Q | 29.6 | Very low | 32.5 | Very low | 156 Ų | 156 | 121 Ų | 121 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | | | trans | -128.3 | 154.8 | 151.9 | -104.8 | -164.1 | -123.9 | 0 | 0 | 113.4 | E317 | E317-Q1725 PolarHBondContact OE2-NE2 3.36Š|
| 1726 | V | 32.1 | Very low | 32.3 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 77% | 0.77 | 71% | 0.712 | S | S | * | * | | | trans | -120.1 | 167.2 | -152.1 | -170.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1727 | S | 32.2 | Very low | 32.6 | Very low | 89 Ų | 89 | 122 Ų | 122 | 62% | 0.622 | 72% | 0.717 | S | S | * | * | | | trans | 94.6 | 116.8 | 147 | -171.1 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1728 | N | 30.7 | Very low | 32.5 | Very low | 109 Ų | 109 | 117 Ų | 117 | 58% | 0.583 | 71% | 0.706 | S | S | * | * | | | | -177.2 | 146.9 | 117.7 | -88.9 | -31.7 | 0 | 0 | 0 | 108.9 | | |
| 1729 | N | 30.6 | Very low | 32.7 | Very low | 89 Ų | 89 | 111.1 Ų | 111.1 | 48% | 0.476 | 69% | 0.693 | S | S | . | * | | | cis | -159.2 | 172.6 | -1.4 | -136.6 | -47.9 | 0 | 0 | 0 | 111.6 | R1069 | R1069-N1729 PolarHBondContact NH2-ND2 2.9Š|
| 1730 | Q | 32.9 | Very low | 32.6 | Very low | 143 Ų | 143 | 108.4 Ų | 108.4 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | | | trans | 66.6 | 115.1 | 159 | -68.2 | 163.5 | -94.1 | 0 | 0 | 119.9 | R1069 | R1069-Q1730 VanDerWaalsContact CZ-OE1 3.22Š|
| 1731 | G | 30.6 | Very low | 32.8 | Very low | 70 Ų | 70 | 112.1 Ų | 112.1 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | | | trans | -82.9 | -135 | 144 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1732 | P | 37.1 | Very low | 32.9 | Very low | 120 Ų | 120 | 108.7 Ų | 108.7 | 78% | 0.779 | 67% | 0.666 | S | S | * | * | | | cis | -143.8 | -159.9 | 33.1 | 43.8 | -23.6 | 0 | 0 | 0 | 114.6 | | |
| 1733 | S | 30.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 107.6 Ų | 107.6 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | | | trans | 25.3 | 139.7 | 146.8 | -54 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1734 | G | 31.3 | Very low | 33.2 | Very low | 65 Ų | 65 | 111.7 Ų | 111.7 | 67% | 0.67 | 65% | 0.65 | S | S | * | * | | | cis | 149.2 | -146.9 | 5.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1735 | I | 35.4 | Very low | 33 | Very low | 152 Ų | 152 | 110.1 Ų | 110.1 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | | | trans | 73.1 | 105.1 | 170.9 | -47.6 | 177 | 0 | 0 | 0 | 112.3 | | |
| 1736 | L | 30.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 108 Ų | 108 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | | | | 62 | 155.1 | 76.1 | -80.8 | 95.3 | 0 | 0 | 0 | 114.5 | | |
| 1737 | P | 39 | Very low | 33.6 | Very low | 119 Ų | 119 | 107.2 Ų | 107.2 | 77% | 0.773 | 64% | 0.644 | S | S | * | * | | | cis | -128.6 | -152.5 | -4.9 | 42.4 | -25.5 | 0 | 0 | 0 | 112 | | |
| 1738 | G | 32.6 | Very low | 33.7 | Very low | 45 Ų | 45 | 108.3 Ų | 108.3 | 46% | 0.464 | 65% | 0.647 | S | S | . | * | | | trans | 128.8 | 106.2 | 154 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1174 | N1174-G1738 WeakPolarHBondContact CB-O 3.27Å; N1174-G1738 PolarHBondContact ND2-N 3.34Å; N1174-G1738 PolarHBondContact ND2-O 3.11Å |
| 1739 | P | 36.2 | Very low | 33.6 | Very low | 86 Ų | 86 | 111 Ų | 111 | 56% | 0.558 | 65% | 0.649 | S | S | * | * | | | trans | -125.3 | 164.6 | -163.8 | 43.3 | -32.3 | 0 | 0 | 0 | 117.2 | T1175 | T1175-P1739 HydrophobicContact CG2-CB 4.48Å; T1175-P1739 WeakPolarHBondContact OG1-CA 3.45Å; T1175-P1739 VanDerWaalsContact OG1-CB 3.29Å; T1175-P1739 WeakPolarHBondContact OG1-CB 3.33Å |
| 1740 | N | 30.6 | Very low | 33.5 | Very low | 92 Ų | 92 | 110.4 Ų | 110.4 | 49% | 0.492 | 65% | 0.652 | S | S | . | * | | | trans | 62.4 | 137.5 | 169.6 | -58.9 | -69.6 | 0 | 0 | 0 | 114.5 | T1175 | T1175-N1740 WeakPolarHBondContact CB-OD1 3.4Å; T1175-N1740 VanDerWaalsContact O-CA 3.27Å; T1175-N1740 WeakPolarHBondContact O-CA 3.46Å; T1175-N1740 PolarHBondContact O-N 3.48Å; T1175-N1740 PolarHBondContact OG1-N 3.13Å |
| 1741 | Q | 35.6 | Very low | 33.3 | Very low | 151 Ų | 151 | 111 Ų | 111 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | | -169.6 | 142.3 | 63 | -95.9 | -161.2 | 44.8 | 0 | 0 | 109.7 | G1176 | G1176-Q1741 CarbonylContact O-C 2.91Š|
| 1742 | I | 33.6 | Very low | 33.3 | Very low | 55 Ų | 55 | 114.6 Ų | 114.6 | 28% | 0.282 | 65% | 0.647 | S | S | . | * | | | | 69.3 | 84.2 | 114.4 | -50.6 | -96.4 | 0 | 0 | 0 | 110.8 | G1176 N1177 Y1178 | G1176-I1742 PolarHBondContact O-N 3.44Å; N1177-I1742 VanDerWaalsContact C-CA 3.45Å; N1177-I1742 HydrophobicContact CB-CB 4.28Å; N1177-I1742 HydrophobicContact CB-CD1 3.68Å; N1177-I1742 HydrophobicContact CB-CG1 3.77Å; Y1178-I1742 CarbonylContact O-C 3.44Å; Y1178-I1742 VanDerWaalsContact O-CA 3.26Å; Y1178-I1742 WeakPolarHBondContact O-CA 3.37Å; Y1178-I1742 WeakPolarHBondContact O-CG2 3.17Å |
| 1743 | Q | 34 | Very low | 32.8 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 59% | 0.593 | 65% | 0.645 | S | S | * | * | | | trans | -147.1 | 7.6 | -166.2 | -70.5 | 155.2 | 100.6 | 0 | 0 | 119.6 | N1177 Y1178 Q1180 | N1177-Q1743 VanDerWaalsContact C-N 3.25Å; N1177-Q1743 CarbonylContact O-C 3.59Å; N1177-Q1743 VanDerWaalsContact O-C 3.32Å; N1177-Q1743 WeakPolarHBondContact O-CA 3.45Å; N1177-Q1743 PolarHBondContact O-N 3.27Å; Y1178-Q1743 VanDerWaalsContact C-N 3.34Å; Y1178-Q1743 PolarHBondContact O-N 3.26Å; Q1180-Q1743 PolarHBondContact O-OE1 3.06Å |
| 1744 | R | 35.8 | Very low | 32.7 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 62% | 0.619 | 64% | 0.643 | S | S | * | * | | | trans | 76.4 | 158.9 | 176.5 | -124.9 | -175.8 | -176.5 | -179 | -1.9 | 115 | N1177 A1179 | N1177-R1744 PolarHBondContact O-N 3.37Å; A1179-R1744 WeakPolarHBondContact O-CB 3.18Å; A1179-R1744 WeakPolarHBondContact O-CD 3.34Å; A1179-R1744 WeakPolarHBondContact O-CG 3.25Å |
| 1745 | S | 32.3 | Very low | 32.6 | Very low | 81 Ų | 81 | 121.5 Ų | 121.5 | 57% | 0.566 | 64% | 0.643 | S | S | * | * | | | cis | 79.9 | 142.9 | 10.2 | -17.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1746 | S | 36 | Very low | 32.4 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 65% | 0.645 | S | S | * | * | | | cis | -145.8 | 147.2 | -1.4 | 47.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1747 | S | 37.6 | Very low | 32.2 | Very low | 111 Ų | 111 | 119.7 Ų | 119.7 | 78% | 0.776 | 65% | 0.645 | S | S | * | * | S | Bend | | -171.5 | 148.7 | 63.9 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1748 | V | 34.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 121 Ų | 121 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | | | cis | -147.8 | 126 | -17.8 | 125.9 | 0 | 0 | 0 | 0 | 103.8 | | |
| 1749 | R | 29.7 | Very low | 31.9 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 63% | 0.63 | 66% | 0.655 | S | S | * | * | | | | 47 | 124.4 | 103.1 | -85.7 | 179.5 | 174.3 | -167.8 | 3.4 | 113.3 | Y1751 | R1749-Y1751 WeakPolarHBondContact CD-OH 3.47Å; R1749-Y1751 PolarHBondContact NH1-OH 3.46Å |
| 1750 | S | 28.3 | Very low | 31.7 | Very low | 76 Ų | 76 | 126.8 Ų | 126.8 | 53% | 0.531 | 66% | 0.659 | S | S | . | * | | | | 66.8 | 142.1 | 82.8 | -147.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1751 | Y | 28.6 | Very low | 31.7 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 61% | 0.612 | 65% | 0.654 | S | S | * | * | | | cis | -134.6 | 158.3 | 30.2 | -63.9 | -98.3 | 0 | 0 | 0 | 110.3 | R1749 | R1749-Y1751 WeakPolarHBondContact CD-OH 3.47Å; R1749-Y1751 PolarHBondContact NH1-OH 3.46Å |
| 1752 | Q | 29.3 | Very low | 31.6 | Very low | 144 Ų | 144 | 122.6 Ų | 122.6 | 67% | 0.673 | 64% | 0.642 | S | S | * | * | | | cis | 63.3 | 136.9 | 49.6 | -117.3 | -163.7 | -7 | 0 | 0 | 113.5 | | |
| 1753 | Y | 28.2 | Very low | 31.5 | Very low | 189 Ų | 189 | 124.8 Ų | 124.8 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | | | trans | 64 | 100.4 | 163.2 | -82.7 | -98 | 0 | 0 | 0 | 120.6 | | |
| 1754 | M | 28.3 | Very low | 31.3 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 76% | 0.764 | 65% | 0.648 | S | S | * | * | | | | 73.5 | 148.8 | 121.5 | -68 | -64.8 | 102 | 0 | 0 | 120.1 | | |
| 1755 | P | 28 | Very low | 31 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 68% | 0.675 | 65% | 0.653 | S | S | * | * | | | trans | -82.2 | 150.7 | -179.6 | 34.7 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 1756 | S | 31.1 | Very low | 30.9 | Very low | 117 Ų | 117 | 121.5 Ų | 121.5 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | | | trans | -153.7 | 142.9 | 148.1 | -73.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1757 | D | 27.1 | Very low | 30.6 | Very low | 153 Ų | 153 | 123 Ų | 123 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | | | trans | -83.6 | -156 | -166.5 | -49.2 | -97.1 | 0 | 0 | 0 | 113.2 | | |
| 1758 | I | 33.5 | Very low | 30 | Very low | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | | | trans | 98.2 | 94.8 | 166 | -53.8 | 167.5 | 0 | 0 | 0 | 115.7 | | |
| 1759 | D | 31.3 | Very low | 29.7 | Very low | 132 Ų | 132 | 122.4 Ų | 122.4 | 71% | 0.706 | 65% | 0.645 | S | S | * | * | | | trans | 46.1 | 110.7 | 130.2 | -48.4 | -27.2 | 0 | 0 | 0 | 120.6 | | |
| 1760 | N | 31.7 | Very low | 29.6 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 65% | 0.647 | 65% | 0.648 | S | S | * | * | | | | -178.8 | 146.2 | 94.6 | -101.6 | -42 | 0 | 0 | 0 | 113.9 | V1207 | V1207-N1760 WeakPolarHBondContact CG2-OD1 3.46Š|
| 1761 | N | 30.8 | Very low | 29.4 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 38% | 0.38 | 66% | 0.656 | S | S | . | * | | | trans | 64.3 | 131.8 | 155.3 | -53.7 | -22.6 | 0 | 0 | 0 | 118.2 | C1206 V1207 | C1206-N1761 VanDerWaalsContact CA-OD1 3.27Å; C1206-N1761 WeakPolarHBondContact CA-OD1 3.33Å; C1206-N1761 WeakPolarHBondContact CB-OD1 3.34Å; V1207-N1761 WeakPolarHBondContact CA-OD1 3.37Å |
| 1762 | N | 33.7 | Very low | 29.3 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 44% | 0.444 | 67% | 0.665 | S | S | . | * | | | cis | -151.9 | 142.2 | -9.2 | -160.1 | 3.8 | 0 | 0 | 0 | 109.9 | C1206 V1207 | C1206-N1762 PolarHBondContact O-ND2 3.43Å; V1207-N1762 PolarHBondContact N-OD1 3.42Å; V1207-N1762 PolarHBondContact O-OD1 3.09Å |
| 1763 | N | 33.2 | Very low | 29.1 | Very low | 102 Ų | 102 | 120 Ų | 120 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | | | trans | 25.5 | 141.8 | 158.9 | -75.7 | -24.3 | 0 | 0 | 0 | 123 | | |
| 1764 | N | 28.6 | Very low | 29 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 47% | 0.465 | 65% | 0.654 | S | S | . | * | | | cis | -175.1 | 139.7 | -22.1 | -146.6 | -18.3 | 0 | 0 | 0 | 108.2 | T1209 | T1209-N1764 PolarHBondContact O-ND2 2.78Å; T1209-N1764 VanDerWaalsContact O-ND2 3.12Å |
| 1765 | T | 28.7 | Very low | 29.1 | Very low | 118 Ų | 118 | 117.6 Ų | 117.6 | 72% | 0.724 | 65% | 0.648 | S | S | * | * | | | trans | 56.8 | -176.5 | 168 | 12.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1766 | S | 32 | Very low | 29.4 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | | | cis | -112.6 | 141 | -18.8 | -67.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1767 | H | 28.8 | Very low | 29.3 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | | | | 43.9 | 114.5 | 88.2 | -103.3 | -106.7 | 0 | 0 | 0 | 112.8 | T1769 | H1767-T1769 PolarHBondContact ND1-OG1 3.15Å; H1767-T1769 VanDerWaalsContact ND1-OG1 3.15Å |
| 1768 | V | 25.2 | Very low | 29.3 | Very low | 121 Ų | 121 | 112.8 Ų | 112.8 | 73% | 0.733 | 61% | 0.611 | S | S | * | * | | | | 62.3 | 158.3 | 58.6 | -177.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1769 | T | 28.1 | Very low | 29.2 | Very low | 89 Ų | 89 | 112.8 Ų | 112.8 | 55% | 0.546 | 61% | 0.608 | S | S | . | * | | | trans | 66.2 | 95 | 170.3 | 33.9 | 0 | 0 | 0 | 0 | 115.9 | H1767 | H1767-T1769 PolarHBondContact ND1-OG1 3.15Å; H1767-T1769 VanDerWaalsContact ND1-OG1 3.15Å |
| 1770 | D | 26.4 | Very low | 29.1 | Very low | 131 Ų | 131 | 111.8 Ų | 111.8 | 70% | 0.701 | 61% | 0.611 | S | S | * | * | | | | 81.2 | 137.8 | 110.9 | -87.2 | -45.9 | 0 | 0 | 0 | 122.7 | | |
| 1771 | N | 24.5 | Very low | 28.9 | Very low | 130 Ų | 130 | 111.5 Ų | 111.5 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | | | trans | 64.5 | 100.5 | 138.8 | -67 | -45.7 | 0 | 0 | 0 | 121.1 | | |
| 1772 | S | 27.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 115.5 Ų | 115.5 | 80% | 0.804 | 63% | 0.626 | S | S | * | * | | | | 86.3 | -173.7 | 123.7 | -162.4 | 0 | 0 | 0 | 0 | 117 | | |
| 1773 | I | 24.6 | Very low | 28.5 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 60% | 0.6 | 65% | 0.645 | S | S | * | * | | | trans | 72.7 | 87.6 | 168.4 | -52.2 | -179.4 | 0 | 0 | 0 | 112.9 | | |
| 1774 | R | 26.7 | Very low | 28.4 | Very low | 156 Ų | 156 | 119.7 Ų | 119.7 | 59% | 0.589 | 65% | 0.65 | S | S | * | * | | | | 175 | 143.6 | 52.6 | -101.8 | 166.7 | -154.6 | -74.6 | 0.5 | 114.6 | | |
| 1775 | H | 29.9 | Very low | 28.6 | Very low | 138 Ų | 138 | 126.2 Ų | 126.2 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | | | trans | 73.6 | 151.6 | 141.9 | -63.9 | -39.3 | 0 | 0 | 0 | 121.6 | | |
| 1776 | P | 34.3 | Very low | 29.1 | Very low | 84 Ų | 84 | 125.3 Ų | 125.3 | 55% | 0.545 | 67% | 0.665 | S | S | . | * | | | cis | -110.6 | -175.3 | -1 | 42.1 | -32.6 | 0 | 0 | 0 | 114.5 | T378 | T378-P1776 HydrophobicContact CG2-CB 3.67Å; T378-P1776 HydrophobicContact CG2-CG 3.99Å |
| 1777 | T | 28.7 | Very low | 29.5 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 53% | 0.528 | 66% | 0.664 | S | S | . | * | | | trans | -149.9 | 148.2 | -157 | 54.1 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1778 | F | 28.4 | Very low | 30.1 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 45% | 0.447 | 66% | 0.663 | S | S | . | * | | | trans | -152.5 | 148.8 | 151.8 | -78.9 | -59.7 | 0 | 0 | 0 | 112.4 | T378 P379 T380 | T378-F1778 VanDerWaalsContact CB-CE2 3.4Å; T378-F1778 HydrophobicContact CG2-CD2 4.1Å; T378-F1778 HydrophobicContact CG2-CE2 3.44Å; T378-F1778 VanDerWaalsContact CG2-CE2 3.44Å; T378-F1778 HydrophobicContact CG2-CZ 4.16Å; P379-F1778 HydrophobicContact CB-CE2 4.49Å; P379-F1778 HydrophobicContact CB-CZ 3.78Å; T380-F1778 HydrophobicContact CG2-CD1 3.37Å; T380-F1778 HydrophobicContact CG2-CD2 4.48Å; T380-F1778 HydrophobicContact CG2-CE1 3.37Å; T380-F1778 HydrophobicContact CG2-CE2 4.41Å; T380-F1778 HydrophobicContact CG2-CG 4.04Å; T380-F1778 HydrophobicContact CG2-CZ 3.96Å; T380-F1778 WeakPolarHBondContact OG1-CE1 3.19Å; T380-F1778 WeakPolarHBondContact OG1-CZ 3.27Å |
| 1779 | Q | 31.7 | Very low | 30.3 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | | | cis | -162.9 | 115.5 | -40.1 | -125.3 | -171.9 | -23 | 0 | 0 | 109.9 | | |
| 1780 | S | 27.7 | Very low | 30.8 | Very low | 110 Ų | 110 | 121.6 Ų | 121.6 | 77% | 0.769 | 64% | 0.637 | S | S | * | * | | | trans | -173.9 | 123.5 | 144.6 | -168 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1781 | N | 27.2 | Very low | 30.7 | Very low | 116 Ų | 116 | 120.4 Ų | 120.4 | 62% | 0.62 | 63% | 0.629 | S | S | * | * | | | | 71.4 | 112.4 | 60 | -86.6 | 6.7 | 0 | 0 | 0 | 115.6 | | |
| 1782 | H | 28.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 119.1 Ų | 119.1 | 72% | 0.718 | 63% | 0.628 | S | S | * | * | | | trans | 79.4 | 123.6 | 149.7 | -54.3 | -48.2 | 0 | 0 | 0 | 122 | | |
| 1783 | Q | 28.7 | Very low | 31.5 | Very low | 180 Ų | 180 | 116.1 Ų | 116.1 | 84% | 0.841 | 62% | 0.615 | S | S | * | * | | | trans | 72.2 | 160.5 | 151.3 | -65 | 175.6 | 20.7 | 0 | 0 | 119.3 | | |
| 1784 | S | 30.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 65% | 0.65 | 62% | 0.619 | S | S | * | * | | | cis | -173.9 | 112.2 | -41.1 | -96 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1785 | Y | 33.7 | Very low | 31.5 | Very low | 224 Ų | 224 | 119.2 Ų | 119.2 | 88% | 0.878 | 63% | 0.631 | S | S | * | * | | | trans | 60 | -177.8 | 158.4 | -65.8 | -85.6 | 0 | 0 | 0 | 116.7 | | |
| 1786 | P | 38.2 | Very low | 31.2 | Very low | 98 Ų | 98 | 122.2 Ų | 122.2 | 64% | 0.636 | 64% | 0.638 | S | S | * | * | | | | -140.4 | 175.8 | -86.6 | 43.7 | -25 | 0 | 0 | 0 | 117.6 | N1788 | P1786-N1788 PolarHBondContact O-N 3.12Š|
| 1787 | T | 41.4 | Very low | 30.7 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 67% | 0.669 | 65% | 0.651 | S | S | * | * | | | trans | 57.5 | -108.1 | 158.2 | 59.2 | 0 | 0 | 0 | 0 | 119.5 | R1044 | R1044-T1787 PolarHBondContact NH2-O 3.47Š|
| 1788 | N | 39.8 | Very low | 30.6 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | | | trans | -66.8 | 128.7 | -163.4 | -81.8 | -44.1 | 0 | 0 | 0 | 111.5 | P1786 | P1786-N1788 PolarHBondContact O-N 3.12Š|
| 1789 | Q | 29.7 | Very low | 30.6 | Very low | 82 Ų | 82 | 126.4 Ų | 126.4 | 38% | 0.383 | 67% | 0.673 | S | S | . | * | | | | 79 | 131.8 | 51.1 | -68.1 | -170.2 | 67.1 | 0 | 0 | 112 | R1044 | R1044-Q1789 VanDerWaalsContact NH1-N 3.13Š|
| 1790 | N | 38 | Very low | 30.5 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 34% | 0.342 | 67% | 0.674 | S | S | . | * | | | cis | -137.3 | 122.8 | -14.3 | -83.5 | -27.8 | 0 | 0 | 0 | 108.3 | R1044 T1045 | R1044-N1790 WeakPolarHBondContact CD-OD1 3.06Å; R1044-N1790 VanDerWaalsContact CG-OD1 3.27Å; R1044-N1790 WeakPolarHBondContact CG-OD1 3.25Å; T1045-N1790 PolarHBondContact O-ND2 2.87Å |
| 1791 | I | 26.1 | Very low | 30.6 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 54% | 0.538 | 67% | 0.67 | S | S | . | * | | | cis | 62.3 | 77.5 | 6.2 | -42.1 | 177.2 | 0 | 0 | 0 | 111.8 | | |
| 1792 | P | 35 | Very low | 30.6 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 68% | 0.675 | 67% | 0.665 | S | S | * | * | | | cis | 29.9 | -150.2 | 25.4 | -36.2 | 12.8 | 0 | 0 | 0 | 116.9 | | |
| 1793 | G | 32.1 | Very low | 30.8 | Very low | 51 Ų | 51 | 127.7 Ų | 127.7 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | | | trans | 89.5 | 80.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1794 | Q | 30.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 70% | 0.696 | 64% | 0.64 | S | S | * | * | | | | 80 | 177 | 74.4 | -66.8 | -73.3 | 1.7 | 0 | 0 | 113 | | |
| 1795 | F | 20.6 | Very low | 30.7 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 83% | 0.829 | 65% | 0.646 | S | S | * | * | | | trans | 72.7 | 89 | -176.1 | -45.8 | -66.9 | 0 | 0 | 0 | 111.7 | | |
| 1796 | Y | 24.8 | Very low | 30.4 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 79% | 0.792 | 64% | 0.637 | S | S | * | * | | | cis | 53.8 | 67.8 | 43.6 | -88.8 | -76.9 | 0 | 0 | 0 | 112.6 | | |
| 1797 | N | 22.2 | Very low | 29.9 | Very low | 153 Ų | 153 | 117.6 Ų | 117.6 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | | | trans | -153.8 | 113.3 | 138.3 | -117.8 | -22.4 | 0 | 0 | 0 | 107.7 | | |
| 1798 | S | 26.8 | Very low | 29.3 | Very low | 100 Ų | 100 | 120.7 Ų | 120.7 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | | | cis | 71.6 | 50.3 | 40.1 | -165.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1799 | S | 29.7 | Very low | 28.8 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | | | trans | -178.1 | 138.6 | 146.9 | -79.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1800 | Q | 29.8 | Very low | 28.5 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 70% | 0.696 | 67% | 0.667 | S | S | * | * | | | cis | 168.2 | 163.3 | -11.2 | -118.5 | 176.7 | -25.3 | 0 | 0 | 103.6 | | |
| 1801 | H | 29.3 | Very low | 27.9 | Very low | 151 Ų | 151 | 123 Ų | 123 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | | | trans | 68.9 | 86.4 | 175.9 | -49.2 | -67.6 | 0 | 0 | 0 | 115.3 | | |
| 1802 | H | 27.8 | Very low | 28 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 51% | 0.509 | 69% | 0.685 | S | S | . | * | | | | 70.5 | 91.7 | 66.8 | -64.8 | -76.1 | 0 | 0 | 0 | 115.5 | | |
| 1803 | Y | 30.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 57% | 0.569 | 69% | 0.694 | S | S | * | * | | | | -141.1 | 143.3 | 129.7 | -99 | -94.1 | 0 | 0 | 0 | 106.8 | F2174 T2175 S2176 | Y1803-F2174 HydrophobicContact CE2-CD1 4.29Å; Y1803-F2174 WeakPolarHBondContact OH-CA 3.5Å; Y1803-T2175 VanDerWaalsContact CZ-CA 3.48Å; Y1803-T2175 VanDerWaalsContact OH-CA 3.25Å; Y1803-T2175 WeakPolarHBondContact OH-CA 3.14Å; Y1803-T2175 PolarHBondContact OH-N 2.92Å; Y1803-S2176 WeakPolarHBondContact CD1-OG 3.33Å; Y1803-S2176 WeakPolarHBondContact CD2-OG 3.37Å; Y1803-S2176 WeakPolarHBondContact CE1-OG 3.18Å; Y1803-S2176 WeakPolarHBondContact CE2-OG 2.94Å; Y1803-S2176 WeakPolarHBondContact OH-CB 3.21Å; Y1803-S2176 PolarHBondContact OH-N 3.25Å; Y1803-S2176 PolarHBondContact OH-OG 3.33Å |
| 1804 | S | 28.2 | Very low | 27.4 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 48% | 0.476 | 70% | 0.702 | S | S | . | * | | | trans | -160.4 | 139.6 | -168.1 | 31.2 | 0 | 0 | 0 | 0 | 115.3 | S2178 | S1804-S2178 PolarHBondContact O-OG 2.7Å; S1804-S2178 PolarHBondContact OG-OG 3.04Å |
| 1805 | S | 30.4 | Very low | 27.4 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | | | trans | -141.9 | 107.2 | 170.5 | 55.9 | 0 | 0 | 0 | 0 | 112 | | |
| 1806 | S | 27.7 | Very low | 28.1 | Very low | 96 Ų | 96 | 127.7 Ų | 127.7 | 67% | 0.671 | 69% | 0.692 | S | S | * | * | | | trans | -17.1 | 140 | 155.3 | 46.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1807 | S | 28.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 68% | 0.682 | S | S | * | * | | | cis | 51.7 | 101.4 | 15.5 | -79.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1808 | Q | 28.3 | Very low | 28.7 | Very low | 174 Ų | 174 | 117.3 Ų | 117.3 | 81% | 0.813 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 62.3 | 142 | 151.5 | -59.4 | 178.4 | -3.9 | 0 | 0 | 119.8 | | |
| 1809 | S | 28 | Very low | 29 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 65% | 0.647 | S | S | * | * | | | trans | 42.3 | 104.8 | 158.9 | 60 | 0 | 0 | 0 | 0 | 119 | | |
| 1810 | V | 25 | Very low | 29.2 | Very low | 109 Ų | 109 | 118.4 Ų | 118.4 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | | | trans | -135.3 | 117.9 | 165.7 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1811 | I | 24.9 | Very low | 29.2 | Very low | 98 Ų | 98 | 113.8 Ų | 113.8 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | | | cis | -157.1 | 144.3 | -26.6 | -116.3 | 150.6 | 0 | 0 | 0 | 105.8 | | |
| 1812 | P | 27.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 116.1 Ų | 116.1 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | | | trans | -70.9 | 163.3 | 177.4 | 30.6 | -35.3 | 0 | 0 | 0 | 112.5 | T1814 | P1812-T1814 PolarHBondContact O-N 2.98Š|
| 1813 | Q | 26.6 | Very low | 29.4 | Very low | 185 Ų | 185 | 116.3 Ų | 116.3 | 86% | 0.864 | 66% | 0.663 | S | S | * | * | | | trans | -60.7 | 131.6 | -172.8 | -69.4 | -176.4 | -5.8 | 0 | 0 | 114.4 | | |
| 1814 | T | 28.5 | Very low | 29.4 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 69% | 0.687 | 68% | 0.676 | S | S | * | * | | | | 38.5 | 105.3 | 118.6 | -43.8 | 0 | 0 | 0 | 0 | 118.3 | P1812 | P1812-T1814 PolarHBondContact O-N 2.98Š|
| 1815 | Y | 30 | Very low | 29.4 | Very low | 202 Ų | 202 | 123.7 Ų | 123.7 | 79% | 0.792 | 69% | 0.692 | S | S | * | * | | | | 42.1 | 176.6 | 110.4 | -76.2 | -67.7 | 0 | 0 | 0 | 121.1 | | |
| 1816 | P | 36.4 | Very low | 29.2 | Very low | 82 Ų | 82 | 122 Ų | 122 | 53% | 0.532 | 68% | 0.68 | S | S | . | * | | | cis | -134.5 | -171.8 | -17.5 | 27.8 | -3.9 | 0 | 0 | 0 | 114.8 | S1249 Q1250 | S1249-P1816 CarbonylContact O-C 3.52Å; Q1250-P1816 CarbonylContact O-C 2.8Å; Q1250-P1816 VanDerWaalsContact O-C 3.32Å |
| 1817 | S | 29.9 | Very low | 29.4 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 58% | 0.58 | 69% | 0.689 | S | S | * | * | | | trans | 45.2 | 130 | 159.1 | -66 | 0 | 0 | 0 | 0 | 122 | S1249 | S1249-S1817 CarbonylContact O-C 3.44Å; S1249-S1817 WeakPolarHBondContact O-CA 3.43Å; S1249-S1817 PolarHBondContact O-N 3.46Å |
| 1818 | S | 29.2 | Very low | 29.3 | Very low | 54 Ų | 54 | 127.9 Ų | 127.9 | 38% | 0.378 | 69% | 0.688 | S | S | . | * | | | cis | -166.8 | 163.9 | 1.4 | 72.2 | 0 | 0 | 0 | 0 | 116.2 | R1248 S1249 Q1250 | R1248-S1818 VanDerWaalsContact O-CA 3.26Å; R1248-S1818 WeakPolarHBondContact O-CA 3.44Å; R1248-S1818 WeakPolarHBondContact O-CB 3.25Å; S1249-S1818 VanDerWaalsContact OG-C 3.26Å; Q1250-S1818 PolarHBondContact OE1-O 2.91Å |
| 1819 | L | 32.6 | Very low | 29.3 | Very low | 76 Ų | 76 | 125.9 Ų | 125.9 | 40% | 0.398 | 69% | 0.688 | S | S | . | * | | | trans | 45.9 | -169.2 | 151.9 | -64.6 | 161.9 | 0 | 0 | 0 | 117.6 | R1248 S1249 | R1248-L1819 VanDerWaalsContact NH2-C 3.34Å; R1248-L1819 PolarHBondContact NH2-O 3.5Å; S1249-L1819 PolarHBondContact OG-N 2.95Å |
| 1820 | Q | 33.7 | Very low | 29.3 | Very low | 153 Ų | 153 | 124.2 Ų | 124.2 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | | | | -100.8 | -165.9 | -51.7 | -135.5 | 115.8 | -12 | 0 | 0 | 107.1 | R1248 | R1248-Q1820 PolarHBondContact NH1-O 3.47Å; R1248-Q1820 PolarHBondContact NH2-O 2.89Å |
| 1821 | G | 31 | Very low | 29.5 | Very low | 53 Ų | 53 | 127.9 Ų | 127.9 | 55% | 0.546 | 70% | 0.697 | S | S | . | * | | | cis | 177.2 | 170.2 | -2.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1822 | Q | 30.4 | Very low | 29.9 | Very low | 199 Ų | 199 | 132.7 Ų | 132.7 | 93% | 0.93 | 72% | 0.715 | S | S | * | * | | | trans | -142.1 | 134.7 | 169.9 | -77 | -173.5 | -18.6 | 0 | 0 | 112.7 | | |
| 1823 | S | 31.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | | | trans | -120 | 115.5 | 139.3 | 47.3 | 0 | 0 | 0 | 0 | 106.1 | | |
| 1824 | K | 30.2 | Very low | 30.6 | Very low | 195 Ų | 195 | 128.2 Ų | 128.2 | 85% | 0.848 | 72% | 0.716 | S | S | * | * | | | | 71.1 | 102.4 | 80.1 | -80.2 | -166.9 | 174.3 | -176.5 | 0 | 114.6 | | |
| 1825 | H | 28.4 | Very low | 30.9 | Very low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.806 | 72% | 0.723 | S | S | * | * | | | | 94.4 | 113 | 126 | -147.5 | 73.7 | 0 | 0 | 0 | 119.7 | | |
| 1826 | S | 26.5 | Very low | 31.1 | Very low | 75 Ų | 75 | 120.7 Ų | 120.7 | 52% | 0.524 | 72% | 0.723 | S | S | . | * | | | trans | 48.1 | 105.7 | 138.6 | -48.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1827 | Q | 30.9 | Very low | 30.8 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | | | | -169.9 | 128.3 | 116.4 | -94.9 | 151.8 | 31.6 | 0 | 0 | 106.7 | | |
| 1828 | I | 27 | Very low | 30.7 | Very low | 146 Ų | 146 | 131 Ų | 131 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | | | | 69.7 | 98.4 | 61.8 | -62.3 | -178.6 | 0 | 0 | 0 | 112.3 | | |
| 1829 | T | 27.1 | Very low | 30.6 | Very low | 133 Ų | 133 | 134.4 Ų | 134.4 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | | | trans | 68.1 | 115 | 146.6 | -54 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1830 | G | 28.2 | Very low | 30.3 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | 95.4 | 155.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1831 | Q | 28.9 | Very low | 29.9 | Very low | 186 Ų | 186 | 136.1 Ų | 136.1 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | | | cis | -149.1 | 169.1 | -7.7 | -106.5 | 170.7 | 20.4 | 0 | 0 | 109.9 | | |
| 1832 | F | 33.5 | Very low | 29.5 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | | | trans | -49.3 | 164.1 | 167.1 | -63.5 | -83.4 | 0 | 0 | 0 | 112.8 | | |
| 1833 | P | 37.3 | Very low | 29.2 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | cis | -146.9 | 180 | 26.9 | 43.5 | -24.2 | 0 | 0 | 0 | 118.1 | | |
| 1834 | G | 32.4 | Very low | 29 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 73% | 0.732 | S | S | * | * | | | trans | 102.4 | 127.4 | 149 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1835 | G | 33.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 126.2 Ų | 126.2 | 83% | 0.825 | 72% | 0.718 | S | S | * | * | | | cis | 166.6 | 123.9 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1836 | G | 34.1 | Very low | 28.7 | Very low | 76 Ų | 76 | 121.3 Ų | 121.3 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | | | trans | 85 | 155.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1837 | R | 30.8 | Very low | 28.6 | Very low | 225 Ų | 225 | 122.7 Ų | 122.7 | 85% | 0.849 | 70% | 0.699 | S | S | * | * | | | cis | -149.1 | 153.1 | -9.1 | -96.9 | -171.8 | 170.5 | -173.8 | -1.6 | 109.5 | | |
| 1838 | H | 27.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 73% | 0.727 | 70% | 0.696 | S | S | * | * | | | trans | 13 | 133.1 | 149.1 | -47.4 | -63.6 | 0 | 0 | 0 | 118.3 | | |
| 1839 | N | 27.5 | Very low | 28.1 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | | | cis | -149 | 143.6 | 32.2 | -117.9 | 8.9 | 0 | 0 | 0 | 111.6 | | |
| 1840 | I | 26.7 | Very low | 28.4 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | | | | 55.2 | 98.3 | 98.1 | -59.7 | -176.2 | 0 | 0 | 0 | 111.3 | | |
| 1841 | N | 23.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 123.5 Ų | 123.5 | 77% | 0.765 | 69% | 0.693 | S | S | * | * | | | | 77.8 | 153.3 | 68.7 | -67.5 | -9.4 | 0 | 0 | 0 | 113.6 | | |
| 1842 | N | 23.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 117.2 Ų | 117.2 | 60% | 0.604 | 68% | 0.678 | S | S | * | * | | | trans | 72.5 | 141.5 | 167.9 | -89.1 | 2.4 | 0 | 0 | 0 | 118.1 | N1490 | N1490-N1842 PolarHBondContact O-ND2 3.37Š|
| 1843 | S | 25.1 | Very low | 27.5 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 44% | 0.441 | 68% | 0.679 | S | S | . | * | | | cis | -162.3 | 146.2 | -15.1 | -132.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1844 | N | 26.1 | Very low | 26.8 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 41% | 0.406 | 67% | 0.67 | S | S | . | * | | | trans | 38.2 | 125.9 | 137.3 | -77.5 | -78.7 | 0 | 0 | 0 | 122.1 | | |
| 1845 | N | 26.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | | | trans | 66.9 | 155.2 | 134.1 | -49.1 | -20.1 | 0 | 0 | 0 | 117.6 | H337 | H337-N1845 PolarHBondContact CE1-O 3.35Å; H337-N1845 VanDerWaalsContact CE1-O 3.24Å; H337-N1845 PolarHBondContact NE2-O 3.03Å |
| 1846 | N | 26.1 | Very low | 26.4 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 37% | 0.374 | 67% | 0.665 | S | S | . | * | | | cis | -166 | 173.3 | 21 | -146.6 | 20.2 | 0 | 0 | 0 | 112.5 | H337 V340 | H337-N1846 PolarHBondContact CE1-N 2.9Å; H337-N1846 VanDerWaalsContact CE1-N 3.33Å; H337-N1846 PolarHBondContact ND1-O 3.26Å; V340-N1846 WeakPolarHBondContact CG2-ND2 3.22Å |
| 1847 | N | 25.2 | Very low | 25.9 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | | | trans | 76.4 | 134 | 165.7 | -53.7 | -15.7 | 0 | 0 | 0 | 115.2 | | |
| 1848 | N | 24.4 | Very low | 25.7 | Very low | 149 Ų | 149 | 121.3 Ų | 121.3 | 80% | 0.797 | 65% | 0.648 | S | S | * | * | | | cis | 94.3 | 145.5 | 38 | -165.3 | 30.7 | 0 | 0 | 0 | 112.5 | | |
| 1849 | S | 23.7 | Very low | 25.9 | Very low | 96 Ų | 96 | 121.4 Ų | 121.4 | 67% | 0.671 | 65% | 0.654 | S | S | * | * | | | trans | 65.6 | 139.4 | -152.8 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1850 | T | 32.3 | Very low | 25.7 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 69% | 0.687 | 65% | 0.652 | S | S | * | * | | | cis | 77.6 | 132.7 | 29.1 | -46.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1851 | F | 23.4 | Very low | 25.9 | Very low | 190 Ų | 190 | 121 Ų | 121 | 83% | 0.833 | 66% | 0.66 | S | S | * | * | | | trans | 62.9 | 147.4 | -155.4 | -54.5 | -91 | 0 | 0 | 0 | 111.8 | | |
| 1852 | G | 24.2 | Very low | 26.4 | Very low | 54 Ų | 54 | 118.7 Ų | 118.7 | 56% | 0.557 | 65% | 0.653 | S | S | * | * | | | cis | 128.2 | 149.4 | 3.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1853 | W | 24.1 | Very low | 26.5 | Very low | 234 Ų | 234 | 120.8 Ų | 120.8 | 89% | 0.886 | 66% | 0.663 | S | S | * | * | | | trans | 64.4 | 153.2 | -167.9 | -43.1 | 78.8 | 0 | 0 | 0 | 111.6 | | |
| 1854 | N | 23.8 | Very low | 27 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 63% | 0.631 | 67% | 0.669 | S | S | * | * | | | cis | -151.3 | 165.6 | 1.5 | -145.2 | 12 | 0 | 0 | 0 | 111.6 | | |
| 1855 | D | 32.3 | Very low | 27.2 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | | | trans | -58.5 | 135.7 | 157.5 | -61.9 | -77 | 0 | 0 | 0 | 110.9 | | |
| 1856 | T | 24.3 | Very low | 27.2 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 80% | 0.798 | 70% | 0.697 | S | S | * | * | | | trans | 166.4 | 142.7 | 162 | 22.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1857 | S | 23.9 | Very low | 27.2 | Very low | 76 Ų | 76 | 126.1 Ų | 126.1 | 53% | 0.531 | 72% | 0.715 | S | S | . | * | | | cis | -162.1 | 168.1 | -10.2 | 45.1 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1858 | F | 26.9 | Very low | 27.3 | Very low | 170 Ų | 170 | 128 Ų | 128 | 75% | 0.746 | 72% | 0.724 | S | S | * | * | | | cis | -143.6 | 148.4 | 23.3 | -60.8 | -100.5 | 0 | 0 | 0 | 105.9 | | |
| 1859 | D | 31 | Very low | 27.4 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | | | cis | 50.2 | 62.4 | 21.1 | -138.7 | -12.9 | 0 | 0 | 0 | 115.8 | | |
| 1860 | S | 24 | Very low | 27.5 | Very low | 89 Ų | 89 | 126.7 Ų | 126.7 | 62% | 0.622 | 73% | 0.726 | S | S | * | * | | | trans | -163.9 | 115.9 | 162 | -73.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 1861 | N | 30.1 | Very low | 27.1 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | | | cis | 60.4 | 134.6 | 44.1 | -143.3 | 6.7 | 0 | 0 | 0 | 110.2 | | |
| 1862 | P | 34 | Very low | 27.2 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 61% | 0.61 | 72% | 0.718 | S | S | * | * | | | cis | -130.8 | -158.5 | 7.9 | 28.5 | -2.8 | 0 | 0 | 0 | 113 | | |
| 1863 | L | 26.2 | Very low | 27.3 | Very low | 157 Ų | 157 | 122.5 Ų | 122.5 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | | | trans | 74.3 | 123.5 | 163.2 | -46.4 | 177.9 | 0 | 0 | 0 | 115.2 | | |
| 1864 | G | 34.9 | Very low | 27.4 | Very low | 54 Ų | 54 | 116.9 Ų | 116.9 | 56% | 0.557 | 70% | 0.7 | S | S | * | * | | | cis | 75.7 | 84.4 | 10.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1865 | P | 31.1 | Very low | 27.4 | Very low | 118 Ų | 118 | 117 Ų | 117 | 77% | 0.766 | 70% | 0.697 | S | S | * | * | | | | -110.1 | 139.8 | 105.9 | 31.7 | -34.6 | 0 | 0 | 0 | 111.1 | | |
| 1866 | N | 25.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 115.3 Ų | 115.3 | 78% | 0.781 | 69% | 0.692 | S | S | * | * | | | cis | 64.9 | 74.5 | 50 | -60.8 | -25.2 | 0 | 0 | 0 | 113.6 | | |
| 1867 | S | 26.6 | Very low | 27.3 | Very low | 106 Ų | 106 | 110.9 Ų | 110.9 | 74% | 0.741 | 67% | 0.673 | S | S | * | * | | | trans | -159.6 | 91.9 | 133.2 | -170.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 1868 | L | 26.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 111 Ų | 111 | 75% | 0.749 | 66% | 0.664 | S | S | * | * | | | | 65.1 | 128.5 | 82.5 | -68.7 | 166.8 | 0 | 0 | 0 | 113.3 | | |
| 1869 | T | 26.8 | Very low | 27.5 | Very low | 138 Ų | 138 | 110.8 Ų | 110.8 | 85% | 0.847 | 66% | 0.663 | S | S | * | * | | | trans | 63.1 | 140.9 | 160.6 | 59.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1870 | A | 26.7 | Very low | 27.2 | Very low | 80 Ų | 80 | 107.4 Ų | 107.4 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | | | cis | -145.4 | 140.7 | -6.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1871 | S | 23.7 | Very low | 27.4 | Very low | 105 Ų | 105 | 107.9 Ų | 107.9 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | | | | 47 | 107.7 | 88.1 | -33.2 | 0 | 0 | 0 | 0 | 114 | | |
| 1872 | S | 25.6 | Very low | 27.3 | Very low | 90 Ų | 90 | 108.1 Ų | 108.1 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | | | trans | 37.6 | 118.7 | 141.8 | 61.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1873 | T | 25.7 | Very low | 26.9 | Very low | 72 Ų | 72 | 108.4 Ų | 108.4 | 44% | 0.442 | 66% | 0.659 | S | S | . | * | | | | -173.7 | 132.7 | 110.8 | 18.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1874 | N | 25.1 | Very low | 27.2 | Very low | 116 Ų | 116 | 107.9 Ų | 107.9 | 62% | 0.62 | 66% | 0.657 | S | S | * | * | | | | 23.6 | 148.6 | 126.6 | -70.8 | 32.6 | 0 | 0 | 0 | 122.9 | | |
| 1875 | E | 25.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 113.7 Ų | 113.7 | 56% | 0.561 | 67% | 0.669 | S | S | * | * | | | trans | 74.5 | 119.8 | 137.6 | -76.4 | 163 | -114.6 | 0 | 0 | 120.7 | S2242 I2243 | E1875-S2242 CarbonylContact O-C 3.55Å; E1875-S2242 VanDerWaalsContact O-C 3.28Å; E1875-S2242 WeakPolarHBondContact O-CA 3.1Å; E1875-S2242 PolarHBondContact O-N 3.48Å; E1875-I2243 PolarHBondContact O-N 2.74Å |
| 1876 | T | 28.5 | Very low | 27.5 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | | | | 14.4 | 140.2 | 118.7 | 51.1 | 0 | 0 | 0 | 0 | 120.4 | N2240 R2241 | T1876-N2240 CarbonylContact C-O 3.59Å; T1876-N2240 WeakPolarHBondContact CA-O 3.43Å; T1876-R2241 VanDerWaalsContact C-C 3.5Å; T1876-R2241 CarbonylContact C-O 2.89Å |
| 1877 | G | 26.5 | Very low | 27.9 | Very low | 38 Ų | 38 | 111.1 Ų | 111.1 | 39% | 0.392 | 66% | 0.663 | S | S | . | * | | | trans | 149.8 | 2.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 124.6 | N2240 R2241 | G1877-N2240 VanDerWaalsContact N-C 3.28Å; G1877-N2240 PolarHBondContact N-O 2.84Å; G1877-N2240 VanDerWaalsContact N-O 3.09Å; G1877-R2241 CarbonylContact C-O 3.52Å; G1877-R2241 WeakPolarHBondContact CA-O 3.48Å; G1877-R2241 PolarHBondContact N-O 2.9Å |
| 1878 | F | 29.2 | Very low | 28.2 | Very low | 79 Ų | 79 | 114.7 Ų | 114.7 | 35% | 0.346 | 67% | 0.668 | S | S | . | * | | | trans | -60.8 | 162.2 | -171.3 | 88.8 | 70.9 | 0 | 0 | 0 | 118 | N2240 R2241 | F1878-N2240 WeakPolarHBondContact CA-OD1 3.49Å; F1878-N2240 HydrophobicContact CB-CB 4.49Å; F1878-N2240 WeakPolarHBondContact CD1-OD1 3.38Å; F1878-N2240 VanDerWaalsContact CD2-CA 3.49Å; F1878-N2240 HydrophobicContact CD2-CB 4.34Å; F1878-N2240 VanDerWaalsContact CD2-OD1 3.24Å; F1878-N2240 WeakPolarHBondContact CD2-OD1 3.49Å; F1878-N2240 HydrophobicContact CG-CB 4.38Å; F1878-N2240 WeakPolarHBondContact CG-OD1 3.18Å; F1878-N2240 PolarHBondContact O-ND2 3.29Å; F1878-N2240 PolarHBondContact O-OD1 2.94Å; F1878-R2241 HydrophobicContact CB-CB 3.63Å; F1878-R2241 HydrophobicContact CB-CG 3.51Å; F1878-R2241 VanDerWaalsContact CB-N 3.28Å; F1878-R2241 HydrophobicContact CD2-CB 4.36Å; F1878-R2241 HydrophobicContact CD2-CG 3.76Å; F1878-R2241 VanDerWaalsContact CD2-N 3.3Å; F1878-R2241 HydrophobicContact CG-CB 4.5Å; F1878-R2241 HydrophobicContact CG-CG 4.02Å; F1878-R2241 PolarHBondContact N-O 3.13Å |
| 1879 | K | 25.3 | Very low | 29 | Very low | 165 Ų | 165 | 112 Ų | 112 | 72% | 0.717 | 66% | 0.659 | S | S | * | * | | | trans | -143.4 | 175.5 | 161.1 | -84.9 | 108.4 | 179.8 | -179.7 | 0 | 108.8 | R2241 | K1879-R2241 PolarHBondContact O-NH1 3.44Å; K1879-R2241 PolarHBondContact O-NH2 3.3Å |
| 1880 | S | 25.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 111.4 Ų | 111.4 | 62% | 0.615 | 66% | 0.655 | S | S | * | * | | | trans | 67.5 | 131.6 | 171.8 | 73.9 | 0 | 0 | 0 | 0 | 115.6 | R2241 | S1880-R2241 PolarHBondContact O-NH2 2.82Š|
| 1881 | S | 27.1 | Very low | 29.3 | Very low | 99 Ų | 99 | 113.5 Ų | 113.5 | 69% | 0.692 | 66% | 0.655 | S | S | * | * | | | cis | -145.7 | 143.7 | 14 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1882 | N | 27.4 | Very low | 29.6 | Very low | 153 Ų | 153 | 113.6 Ų | 113.6 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | | | trans | 59.2 | 135.8 | 146.5 | -67.9 | 8.7 | 0 | 0 | 0 | 119.7 | | |
| 1883 | C | 26.9 | Very low | 29.7 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | | | cis | -154.4 | 162.7 | 8.6 | -105.4 | 0 | 0 | 0 | 0 | 113 | | |
| 1884 | N | 31.4 | Very low | 30 | Very low | 146 Ų | 146 | 124 Ų | 124 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | | | trans | 78.3 | 104.3 | 156.3 | -60.8 | -7.5 | 0 | 0 | 0 | 121.6 | | |
| 1885 | H | 32.3 | Very low | 30.3 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 82% | 0.815 | 68% | 0.678 | S | S | * | * | | | trans | -22.7 | 160 | 144.6 | -63.6 | -95.4 | 0 | 0 | 0 | 117.7 | | |
| 1886 | P | 41.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | | | cis | -136.9 | -166.2 | 21.2 | 39.8 | -20.4 | 0 | 0 | 0 | 115.4 | | |
| 1887 | S | 33.2 | Very low | 30.5 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | | | | -173.5 | 153.4 | -56.5 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1888 | Q | 33.4 | Very low | 30.8 | Very low | 181 Ų | 181 | 130.5 Ų | 130.5 | 85% | 0.846 | 71% | 0.705 | S | S | * | * | | | trans | 69.8 | 161.6 | 161.4 | -78.3 | -156.1 | -9.9 | 0 | 0 | 119.5 | | |
| 1889 | P | 41.5 | Very low | 30.8 | Very low | 86 Ų | 86 | 132.6 Ų | 132.6 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | | | cis | -144.8 | 163 | -42.6 | 39.7 | -23.4 | 0 | 0 | 0 | 115.6 | | |
| 1890 | T | 32.8 | Very low | 31.1 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 72% | 0.721 | S | S | * | * | | | trans | 56.6 | -173 | 153.8 | 52.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 1891 | D | 28.2 | Very low | 31.5 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | | | cis | -144 | 175.4 | -39.1 | -116.5 | 21.2 | 0 | 0 | 0 | 106.2 | | |
| 1892 | N | 29.2 | Very low | 31.6 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | | | cis | -151.3 | -173.1 | 13 | -141.5 | -49.9 | 0 | 0 | 0 | 111.6 | | |
| 1893 | R | 27.9 | Very low | 31.7 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 79% | 0.789 | 71% | 0.709 | S | S | * | * | | | trans | -58.2 | 157.8 | 162.5 | -33.5 | 120.3 | -168.6 | -165.5 | -2.3 | 111.7 | | |
| 1894 | L | 31.9 | Very low | 31.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 89% | 0.89 | 71% | 0.709 | S | S | * | * | | | | 172.8 | 164.4 | 112.4 | -94.7 | 164.5 | 0 | 0 | 0 | 111.1 | | |
| 1895 | G | 31.2 | Very low | 31.5 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 65% | 0.649 | 70% | 0.704 | S | S | * | * | | | trans | 123.1 | 59.7 | 154 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 1896 | R | 30.3 | Very low | 31.3 | Very low | 233 Ų | 233 | 130 Ų | 130 | 88% | 0.879 | 70% | 0.699 | S | S | * | * | | | | 38.7 | 119.5 | 117 | -76.5 | -175.5 | -179 | -161.2 | 0.2 | 116.4 | | |
| 1897 | S | 28.8 | Very low | 30.6 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 61% | 0.608 | 70% | 0.699 | S | S | * | * | | | | 128.6 | 142 | 61.2 | 172.8 | 0 | 0 | 0 | 0 | 109 | | |
| 1898 | I | 31.7 | Very low | 30.3 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 71% | 0.708 | 70% | 0.702 | S | S | * | * | | | trans | 55.7 | 122.8 | 140.7 | -67.6 | 176.6 | 0 | 0 | 0 | 117.3 | | |
| 1899 | N | 30 | Very low | 29.9 | Very low | 122 Ų | 122 | 130.8 Ų | 130.8 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | | | cis | -170.5 | 178.3 | 2.4 | -124.6 | -6.1 | 0 | 0 | 0 | 111.4 | | |
| 1900 | H | 30.9 | Very low | 29.1 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | | | | -2.2 | 155.2 | 122.5 | -77.3 | -63.2 | 0 | 0 | 0 | 118.3 | | |
| 1901 | P | 34.7 | Very low | 28.7 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 63% | 0.63 | 69% | 0.693 | S | S | * | * | | | cis | -148.5 | -161.2 | -5.7 | 28.3 | -1.2 | 0 | 0 | 0 | 114.7 | | |
| 1902 | V | 28.9 | Very low | 28.6 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 70% | 0.698 | S | S | * | * | | | | 90.7 | 114.4 | 125.2 | 131.6 | 0 | 0 | 0 | 0 | 115.6 | | |
| 1903 | I | 28.4 | Very low | 28.3 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 59% | 0.59 | 71% | 0.707 | S | S | * | * | | | | 83.7 | 139.9 | 76.1 | -87.8 | -174.4 | 0 | 0 | 0 | 111.4 | | |
| 1904 | R | 28.2 | Very low | 28.1 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 68% | 0.683 | 70% | 0.703 | S | S | * | * | | | cis | -144.9 | 151.9 | 3 | -116.5 | 179.8 | 179.5 | 119.1 | 6.3 | 110 | | |
| 1905 | D | 26.1 | Very low | 27.8 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 68% | 0.679 | 69% | 0.691 | S | S | * | * | | | trans | 47.6 | 171.1 | 133.9 | -50.9 | -15 | 0 | 0 | 0 | 120.9 | | |
| 1906 | A | 28.7 | Very low | 27.6 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 69% | 0.69 | S | S | * | * | | | trans | 78.1 | 125.3 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1907 | Q | 25.8 | Very low | 27.3 | Very low | 165 Ų | 165 | 123.2 Ų | 123.2 | 77% | 0.771 | 68% | 0.684 | S | S | * | * | | | cis | -166 | 174.8 | -18.9 | -132.9 | 178.6 | -18.8 | 0 | 0 | 108.4 | | |
| 1908 | M | 27.1 | Very low | 27.1 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | | | trans | 26.2 | 129.8 | 137.2 | -61.9 | -110 | -75.6 | 0 | 0 | 118 | | |
| 1909 | N | 25.5 | Very low | 26.9 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 55% | 0.551 | 68% | 0.678 | S | S | * | * | | | cis | 164.5 | 174.7 | 2.1 | -132.5 | -35 | 0 | 0 | 0 | 105.4 | | |
| 1910 | Y | 24.8 | Very low | 26.9 | Very low | 192 Ų | 192 | 121.6 Ų | 121.6 | 75% | 0.753 | 68% | 0.676 | S | S | * | * | | | trans | 54.7 | 107.1 | 142.9 | -63.6 | -39 | 0 | 0 | 0 | 121.9 | | |
| 1911 | S | 25.3 | Very low | 26.8 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | | | | 89.3 | 96.6 | 106.3 | -60.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1912 | A | 24.7 | Very low | 26.5 | Very low | 95 Ų | 95 | 120.2 Ų | 120.2 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | | | | 67.6 | -172.1 | 106.9 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 1913 | C | 23.8 | Very low | 26.4 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 75% | 0.75 | 68% | 0.678 | S | S | * | * | | | trans | 73.2 | 79.3 | 171.2 | -60.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1914 | S | 24 | Very low | 26.4 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | | | | 64.5 | 133.8 | 115.4 | -50.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1915 | N | 24.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | | | | 107.9 | 150.2 | 120.4 | -117.2 | -9.7 | 0 | 0 | 0 | 121.2 | | |
| 1916 | T | 26.7 | Very low | 26.2 | Very low | 102 Ų | 102 | 118.6 Ų | 118.6 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | trans | 70.5 | 109 | 151.4 | 39.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1917 | N | 24.8 | Very low | 26.1 | Very low | 140 Ų | 140 | 120.1 Ų | 120.1 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | | | | 73.1 | 136.2 | 125.9 | -84.5 | 3.4 | 0 | 0 | 0 | 121.8 | | |
| 1918 | S | 25.8 | Very low | 26 | Very low | 80 Ų | 80 | 117 Ų | 117 | 56% | 0.559 | 68% | 0.681 | S | S | * | * | | | trans | 71.7 | 154.1 | 133.3 | -66.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1919 | N | 27.3 | Very low | 26 | Very low | 117 Ų | 117 | 118.1 Ų | 118.1 | 63% | 0.626 | 69% | 0.687 | S | S | * | * | | | cis | -159.6 | 159.1 | -18.2 | -113.2 | 17.5 | 0 | 0 | 0 | 107.8 | | |
| 1920 | N | 28.5 | Very low | 25.9 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 62% | 0.62 | 69% | 0.685 | S | S | * | * | | | trans | 64.3 | 156.7 | 157.4 | -58.2 | 4.6 | 0 | 0 | 0 | 115.8 | | |
| 1921 | N | 28.6 | Very low | 26 | Very low | 129 Ų | 129 | 111 Ų | 111 | 69% | 0.69 | 67% | 0.67 | S | S | * | * | | | cis | -145.7 | 166.1 | -24.8 | -92.8 | -2.7 | 0 | 0 | 0 | 103.1 | | |
| 1922 | S | 28.7 | Very low | 26 | Very low | 98 Ų | 98 | 112.5 Ų | 112.5 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | | | cis | -178.3 | 158.2 | 28 | 20.6 | 0 | 0 | 0 | 0 | 105.4 | | |
| 1923 | D | 27.7 | Very low | 26.2 | Very low | 126 Ų | 126 | 113.3 Ų | 113.3 | 67% | 0.674 | 65% | 0.653 | S | S | * | * | | | cis | -163.2 | 167.1 | -4.1 | -112.9 | -33.2 | 0 | 0 | 0 | 111.8 | | |
| 1924 | I | 27.8 | Very low | 26.4 | Very low | 130 Ų | 130 | 112 Ų | 112 | 67% | 0.667 | 64% | 0.639 | S | S | * | * | | | trans | 48.7 | 106.2 | 142.7 | -63.9 | 163.6 | 0 | 0 | 0 | 117.6 | | |
| 1925 | L | 26.9 | Very low | 27 | Very low | 146 Ų | 146 | 111.8 Ų | 111.8 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | | | | 74.2 | 123.5 | 64.7 | -69.4 | 160.8 | 0 | 0 | 0 | 116 | | |
| 1926 | S | 24.5 | Very low | 27 | Very low | 94 Ų | 94 | 110.1 Ų | 110.1 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | | | trans | 78 | 109.1 | 131.5 | -66 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1927 | T | 25.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 111 Ų | 111 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | | | | 63.9 | 102.1 | 107.7 | -46.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1928 | S | 24.4 | Very low | 27.1 | Very low | 98 Ų | 98 | 110.3 Ų | 110.3 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | | | trans | 63.6 | 138.4 | 142.9 | 74.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1929 | M | 25.3 | Very low | 27.2 | Very low | 165 Ų | 165 | 112.8 Ų | 112.8 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | | | | -177.8 | 132.5 | 105.6 | -94.8 | -75.9 | -126.3 | 0 | 0 | 112.1 | | |
| 1930 | S | 25.3 | Very low | 27.2 | Very low | 74 Ų | 74 | 113.1 Ų | 113.1 | 52% | 0.517 | 64% | 0.641 | S | S | . | * | | | trans | 47.5 | 114.8 | 144 | -61 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1931 | T | 26.8 | Very low | 27.2 | Very low | 72 Ų | 72 | 111.7 Ų | 111.7 | 44% | 0.442 | 64% | 0.64 | S | S | . | * | | | | 81.6 | 116.8 | 128.2 | 55.3 | 0 | 0 | 0 | 0 | 119.8 | N2087 A2088 | T1931-N2087 WeakPolarHBondContact O-CA 3.19Å; T1931-N2087 VanDerWaalsContact O-CB 3.25Å; T1931-N2087 WeakPolarHBondContact O-CB 3.42Å; T1931-N2087 PolarHBondContact O-N 3.08Å; T1931-N2087 WeakPolarHBondContact OG1-CA 3.48Å; T1931-N2087 PolarHBondContact OG1-N 3.04Å; T1931-A2088 PolarHBondContact OG1-N 3.48Å |
| 1932 | K | 24.7 | Very low | 27.1 | Very low | 128 Ų | 128 | 112.7 Ų | 112.7 | 56% | 0.557 | 64% | 0.64 | S | S | * | * | | | | 96.5 | 153.2 | 72 | -157.9 | -165.2 | 172.3 | -137.5 | 0 | 109.8 | H2084 T2085 T2086 N2087 | K1932-H2084 WeakPolarHBondContact CE-O 3.41Å; K1932-T2085 VanDerWaalsContact CD-C 3.47Å; K1932-T2085 WeakPolarHBondContact CD-O 3.24Å; K1932-T2085 WeakPolarHBondContact CE-O 3.46Å; K1932-T2085 WeakPolarHBondContact CG-O 3.23Å; K1932-T2085 PolarHBondContact NZ-O 3.01Å; K1932-T2086 VanDerWaalsContact C-CA 3.48Å; K1932-T2086 CarbonylContact O-C 3.52Å; K1932-T2086 WeakPolarHBondContact O-CA 3.34Å; K1932-T2086 PolarHBondContact O-N 3.3Å; K1932-N2087 PolarHBondContact O-N 3.13Å |
| 1933 | M | 28.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 114 Ų | 114 | 55% | 0.547 | 64% | 0.635 | S | S | . | * | | | trans | 68.2 | 135.9 | -166.7 | -104.6 | -171.8 | -164.2 | 0 | 0 | 113 | T2085 T2086 | M1933-T2085 HydrophobicContact CE-CG2 4.12Å; M1933-T2085 HydrophobicContact CG-CG2 3.59Å; M1933-T2086 HydrophobicContact CB-CG2 3.89Å; M1933-T2086 HydrophobicContact CE-CG2 4.48Å; M1933-T2086 WeakPolarHBondContact CE-OG1 3.36Å; M1933-T2086 HydrophobicContact CG-CG2 4Å; M1933-T2086 VanDerWaalsContact CG-N 3.35Å; M1933-T2086 VanDerWaalsContact CG-OG1 3.3Å; M1933-T2086 WeakPolarHBondContact CG-OG1 3.37Å; M1933-T2086 HydrophobicContact SD-CG2 3.46Å; M1933-T2086 WeakPolarHBondContact SD-CG2 3.42Å; M1933-T2086 PolarHBondContact SD-OG1 3.17Å |
| 1934 | D | 28.4 | Very low | 27 | Very low | 83 Ų | 83 | 115 Ų | 115 | 44% | 0.444 | 64% | 0.638 | S | S | . | * | | | cis | 73.5 | 137.9 | 17 | -143.3 | 49.6 | 0 | 0 | 0 | 114.5 | H2084 T2085 | D1934-H2084 IonicContact OD1-CE1 2.68Å; D1934-H2084 PolarHBondContact OD1-CE1 3.39Å; D1934-H2084 IonicContact OD1-ND1 3.98Å; D1934-H2084 PolarHBondContact OD1-ND1 2.9Å; D1934-H2084 IonicContact OD2-CE1 3.92Å; D1934-H2084 PolarHBondContact OD2-CE1 2.88Å; D1934-H2084 IonicContact OD2-CG 3.4Å; D1934-H2084 IonicContact OD2-ND1 3.44Å; D1934-H2084 PolarHBondContact OD2-ND1 3.22Å; D1934-T2085 HydrophobicContact CB-CG2 4.44Å |
| 1935 | P | 35.8 | Very low | 27 | Very low | 99 Ų | 99 | 113.4 Ų | 113.4 | 64% | 0.643 | 64% | 0.638 | S | S | * | * | | | cis | -124.4 | 165.7 | 16.2 | 45 | -32.1 | 0 | 0 | 0 | 116.5 | | |
| 1936 | S | 25.1 | Very low | 27.1 | Very low | 85 Ų | 85 | 111.5 Ų | 111.5 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | | | trans | 22.5 | 145.8 | 140.9 | 69.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1937 | T | 27.8 | Very low | 27.2 | Very low | 120 Ų | 120 | 113.9 Ų | 113.9 | 74% | 0.736 | 64% | 0.638 | S | S | * | * | | | trans | 67.1 | 157.9 | 142.4 | 51.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1938 | D | 25.6 | Very low | 27.3 | Very low | 126 Ų | 126 | 112.6 Ų | 112.6 | 67% | 0.674 | 63% | 0.634 | S | S | * | * | | | cis | -153 | -152.1 | -2.2 | -138.3 | -45.8 | 0 | 0 | 0 | 109.2 | | |
| 1939 | I | 27.7 | Very low | 27.5 | Very low | 131 Ų | 131 | 112.1 Ų | 112.1 | 67% | 0.672 | 63% | 0.631 | S | S | * | * | | | trans | 80.7 | 93.4 | 150.8 | -65.4 | 126.4 | 0 | 0 | 0 | 112.7 | | |
| 1940 | I | 28.1 | Very low | 27.6 | Very low | 124 Ų | 124 | 111.3 Ų | 111.3 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | | | | 67.2 | 122.7 | 82.7 | -61.8 | 159.7 | 0 | 0 | 0 | 108.2 | | |
| 1941 | S | 26.9 | Very low | 28.1 | Very low | 87 Ų | 87 | 115 Ų | 115 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | | | | -165.1 | 147.7 | 67 | -33 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1942 | H | 28 | Very low | 28.5 | Very low | 150 Ų | 150 | 116.8 Ų | 116.8 | 69% | 0.694 | 66% | 0.655 | S | S | * | * | | | trans | 68.9 | 150.4 | 132.2 | -63 | -9.3 | 0 | 0 | 0 | 119.3 | | |
| 1943 | Q | 27.2 | Very low | 28.7 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 58% | 0.584 | 66% | 0.662 | S | S | * | * | | | cis | -159.9 | 160.9 | -11.7 | -117.9 | 168 | 24 | 0 | 0 | 109.3 | | |
| 1944 | M | 26.6 | Very low | 28.9 | Very low | 147 Ų | 147 | 116.2 Ų | 116.2 | 72% | 0.724 | 67% | 0.672 | S | S | * | * | | | trans | 58 | 111 | 147.4 | -70.5 | -166.6 | -57.2 | 0 | 0 | 117.6 | | |
| 1945 | S | 27.5 | Very low | 29 | Very low | 97 Ų | 97 | 118.8 Ų | 118.8 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | | | | 104.4 | 154.5 | 84.1 | -75.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1946 | T | 28.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 64% | 0.644 | 69% | 0.685 | S | S | * | * | | | cis | -167 | 147.8 | -6.9 | 20.4 | 0 | 0 | 0 | 0 | 108 | | |
| 1947 | N | 27.1 | Very low | 29 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | | | trans | 62.8 | 169.7 | 152.8 | -49.3 | -13 | 0 | 0 | 0 | 114.9 | | |
| 1948 | S | 27.8 | Very low | 29.1 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | | | cis | -148.8 | 142.5 | -6.5 | -148.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1949 | S | 28.4 | Very low | 29.4 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | | | | 49.3 | 162.3 | 128.6 | 78.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1950 | D | 28.7 | Very low | 29.6 | Very low | 149 Ų | 149 | 126.1 Ų | 126.1 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | | | cis | -135.9 | 157.9 | 15.9 | -95.4 | -69 | 0 | 0 | 0 | 114.5 | | |
| 1951 | I | 34.2 | Very low | 29.7 | Very low | 152 Ų | 152 | 125.6 Ų | 125.6 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | | | trans | -90 | 151.9 | 170.9 | -49.7 | 153.7 | 0 | 0 | 0 | 104.2 | | |
| 1952 | P | 36.1 | Very low | 30 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | | | | -166.9 | 174.7 | 65.3 | 46.1 | -22.7 | 0 | 0 | 0 | 122.5 | | |
| 1953 | S | 28.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 72% | 0.72 | 67% | 0.668 | S | S | * | * | | | trans | 76.8 | 158.1 | 144.1 | 79.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1954 | V | 32.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 123 Ų | 123 | 76% | 0.758 | 67% | 0.669 | S | S | * | * | | | cis | -127.6 | 157.7 | 9.6 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1955 | Q | 30.8 | Very low | 30.9 | Very low | 136 Ų | 136 | 119.9 Ų | 119.9 | 64% | 0.636 | 65% | 0.652 | S | S | * | * | | | trans | -47.2 | 169.6 | 162.8 | -58.4 | 160.5 | 10 | 0 | 0 | 112.4 | | |
| 1956 | Q | 31.5 | Very low | 31.1 | Very low | 155 Ų | 155 | 118.4 Ų | 118.4 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | | | cis | -168.2 | 119.9 | 49.9 | -152 | 156.6 | 80.6 | 0 | 0 | 108.3 | | |
| 1957 | R | 29 | Very low | 31.3 | Very low | 191 Ų | 191 | 120.5 Ų | 120.5 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | | | | 76.1 | 153.9 | 72.9 | -161.3 | -143.6 | -83.2 | -158.5 | -6.9 | 112.6 | | |
| 1958 | V | 30.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 119.9 Ų | 119.9 | 62% | 0.624 | 63% | 0.628 | S | S | * | * | | | trans | 68.7 | 136.9 | 160.3 | -77.4 | 0 | 0 | 0 | 0 | 119 | | |
| 1959 | H | 32.8 | Very low | 31.8 | Very low | 145 Ų | 145 | 124.4 Ų | 124.4 | 67% | 0.671 | 63% | 0.631 | S | S | * | * | | | cis | -173.5 | 169.1 | -22.1 | -128.5 | 163.4 | 0 | 0 | 0 | 111.3 | | |
| 1960 | M | 31.6 | Very low | 32.2 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 60% | 0.601 | 63% | 0.632 | S | S | * | * | | | trans | 65.8 | 150.8 | 152.9 | -66.5 | -12.1 | -175.6 | 0 | 0 | 118 | | |
| 1961 | N | 29.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 60% | 0.604 | 63% | 0.63 | S | S | * | * | | | cis | -143.4 | 136.7 | -8.4 | -115.7 | -4.7 | 0 | 0 | 0 | 108.6 | | |
| 1962 | Q | 33 | Very low | 33.2 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 63% | 0.626 | 63% | 0.628 | S | S | * | * | | | | 57 | 114.5 | 88.5 | -62.9 | -170.3 | 51.3 | 0 | 0 | 113.2 | | |
| 1963 | H | 37.4 | Very low | 32.9 | Very low | 88 Ų | 88 | 123.9 Ų | 123.9 | 41% | 0.407 | 63% | 0.631 | S | S | . | * | | | | 66.1 | 124.8 | 73.3 | -75.8 | -76 | 0 | 0 | 0 | 114.3 | N1342 T1343 N1344 | N1342-H1963 PolarHBondContact OD1-CE1 3.25Å; N1342-H1963 PolarHBondContact OD1-ND1 2.95Å; T1343-H1963 VanDerWaalsContact CG2-CE1 3.43Å; T1343-H1963 WeakPolarHBondContact CG2-CE1 3.36Å; N1344-H1963 PolarHBondContact ND2-NE2 3.11Å |
| 1964 | S | 30.6 | Very low | 33 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 60% | 0.601 | 63% | 0.631 | S | S | * | * | | | trans | -137.7 | 126.2 | 132.7 | -71.7 | 0 | 0 | 0 | 0 | 105.1 | N1340 | N1340-S1964 VanDerWaalsContact CG-O 3.28Å; N1340-S1964 PolarHBondContact ND2-O 3.21Å; N1340-S1964 VanDerWaalsContact ND2-O 3.11Å |
| 1965 | Q | 33.6 | Very low | 32.9 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 37% | 0.374 | 64% | 0.637 | S | S | . | * | | | | 62.4 | 128.7 | 66.9 | -54 | -58 | 11.3 | 0 | 0 | 111.7 | N1339 N1340 N1342 | N1339-Q1965 PolarHBondContact OD1-O 3.27Å; N1339-Q1965 VanDerWaalsContact OD1-O 3.11Å; N1340-Q1965 VanDerWaalsContact CB-C 3.41Å; N1340-Q1965 VanDerWaalsContact CB-O 3.22Å; N1340-Q1965 WeakPolarHBondContact CB-O 3.22Å; N1342-Q1965 PolarHBondContact ND2-OE1 2.9Å |
| 1966 | Q | 32 | Very low | 32.8 | Very low | 66 Ų | 66 | 124 Ų | 124 | 31% | 0.308 | 64% | 0.64 | S | S | . | * | | | cis | -171.2 | 171 | 17.8 | -129.4 | 157.7 | 14.5 | 0 | 0 | 114.8 | N1339 N1340 | N1339-Q1966 CarbonylContact C-O 3.44Å; N1339-Q1966 VanDerWaalsContact C-O 3.26Å; N1339-Q1966 WeakPolarHBondContact CB-O 3.28Å; N1339-Q1966 PolarHBondContact ND2-O 3.3Å; N1339-Q1966 PolarHBondContact OD1-N 3.4Å; N1339-Q1966 PolarHBondContact OD1-O 2.74Å; N1340-Q1966 CarbonylContact O-C 3.43Å |
| 1967 | Y | 31.1 | Very low | 32.8 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | | | trans | 74 | 146.9 | 145.6 | -64.5 | -29.1 | 0 | 0 | 0 | 124.3 | | |
| 1968 | L | 33.7 | Very low | 33.4 | Very low | 131 Ų | 131 | 118.8 Ų | 118.8 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | | | cis | -175.1 | 131 | -12.5 | -173.4 | 70.3 | 0 | 0 | 0 | 114.8 | | |
| 1969 | R | 32.9 | Very low | 33.6 | Very low | 188 Ų | 188 | 118.6 Ų | 118.6 | 71% | 0.709 | 64% | 0.642 | S | S | * | * | | | trans | 54.7 | 129.5 | 147.5 | -72.2 | -179.3 | 158.5 | -139.2 | -9.5 | 127 | | |
| 1970 | H | 36.5 | Very low | 33.6 | Very low | 136 Ų | 136 | 120 Ų | 120 | 63% | 0.63 | 65% | 0.649 | S | S | * | * | | | | 82.4 | 121 | 124.5 | -64.8 | -8.8 | 0 | 0 | 0 | 124.4 | | |
| 1971 | S | 41.4 | Very low | 33.5 | Very low | 108 Ų | 108 | 117.5 Ų | 117.5 | 76% | 0.755 | 64% | 0.643 | S | S | * | * | | | | 44.7 | 157.1 | 127.1 | -50.6 | 0 | 0 | 0 | 0 | 123.4 | | |
| 1972 | P | 41.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 73% | 0.734 | 65% | 0.654 | S | S | * | * | | | cis | -136.8 | -160.2 | -26 | 30.9 | -6.4 | 0 | 0 | 0 | 113.8 | | |
| 1973 | V | 30.9 | Very low | 33.5 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 78% | 0.776 | 66% | 0.656 | S | S | * | * | | | trans | 85.3 | 163.5 | 160.1 | -152.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1974 | N | 30.5 | Very low | 33.3 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | | | trans | -42.8 | 173.9 | -176.8 | -62.3 | -3.7 | 0 | 0 | 0 | 119.5 | | |
| 1975 | D | 28.9 | Very low | 33.3 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 88% | 0.877 | 68% | 0.682 | S | S | * | * | | | trans | 69.7 | 148.2 | 167.4 | -63.2 | -61.2 | 0 | 0 | 0 | 114.1 | | |
| 1976 | G | 30.6 | Very low | 33.1 | Very low | 68 Ų | 68 | 123.6 Ų | 123.6 | 70% | 0.701 | 70% | 0.697 | S | S | * | * | | | cis | 142.3 | 127.3 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1977 | G | 31 | Very low | 33 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 72% | 0.718 | S | S | * | * | | | trans | 96 | 112.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 1978 | K | 40.5 | Very low | 32.9 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | | | | -34.9 | 155.9 | 127.7 | -78 | 174.7 | 176 | 168.5 | 0 | 111 | M1357 | M1357-K1978 VanDerWaalsContact SD-CE 3.56Š|
| 1979 | P | 35.1 | Very low | 32.8 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | | -160.3 | -166 | 51.2 | 46 | -24.5 | 0 | 0 | 0 | 118 | | |
| 1980 | Q | 31.7 | Very low | 32.7 | Very low | 175 Ų | 175 | 125.9 Ų | 125.9 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | | | trans | 73 | 146.1 | 151.9 | -76.6 | 169.3 | 3.4 | 0 | 0 | 117.3 | | |
| 1981 | S | 30 | Very low | 32.2 | Very low | 69 Ų | 69 | 126.8 Ų | 126.8 | 48% | 0.483 | 74% | 0.74 | S | S | . | * | | | cis | -164.3 | 151 | -0.1 | -128.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1982 | Y | 31.6 | Very low | 31.6 | Very low | 214 Ų | 214 | 128.1 Ų | 128.1 | 84% | 0.839 | 73% | 0.734 | S | S | * | * | | | trans | 63.4 | 147.2 | 153.9 | -60 | -51.5 | 0 | 0 | 0 | 118.7 | | |
| 1983 | S | 32.1 | Very low | 30.9 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | | | cis | -162.3 | 154.4 | -3 | -114.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1984 | S | 32.2 | Very low | 30.7 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | 66.4 | 145.8 | 158.7 | -54.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1985 | S | 31.3 | Very low | 30.5 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | | | cis | 178 | 157.6 | -6 | 45.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 1986 | S | 28.7 | Very low | 30.4 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | | | cis | 175.8 | 150.4 | -11.2 | 51.2 | 0 | 0 | 0 | 0 | 107.1 | | |
| 1987 | T | 30.4 | Very low | 30.4 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | | | cis | -172.9 | 172.4 | -5.7 | 24.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1988 | Q | 29.7 | Very low | 30.5 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | | | trans | 80.4 | 144.5 | 171.5 | -54.8 | 178.9 | 45.3 | 0 | 0 | 117.2 | | |
| 1989 | Q | 32.1 | Very low | 30.1 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | | | cis | -154.5 | 160.1 | -27.6 | -117.9 | -170.5 | -13.5 | 0 | 0 | 108.9 | | |
| 1990 | P | 29 | Very low | 30 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 72% | 0.721 | 69% | 0.685 | S | S | * | * | | | trans | -102.5 | -179.7 | -168.8 | 41.1 | -36.4 | 0 | 0 | 0 | 114.8 | | |
| 1991 | Q | 26.8 | Very low | 30.1 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 73% | 0.729 | 68% | 0.676 | S | S | * | * | | | trans | -4.5 | 174.9 | 149.8 | -58 | -175.7 | -22.7 | 0 | 0 | 121.7 | | |
| 1992 | H | 28.8 | Very low | 30.2 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 63% | 0.63 | 69% | 0.686 | S | S | * | * | | | trans | 99.2 | 101.3 | 149.7 | -97.1 | -99.5 | 0 | 0 | 0 | 118.6 | | |
| 1993 | H | 26.5 | Very low | 30.3 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 68% | 0.681 | 68% | 0.677 | S | S | * | * | | | | 69.4 | 161.7 | 114.9 | -82.9 | 71.9 | 0 | 0 | 0 | 121.5 | | |
| 1994 | Q | 27.7 | Very low | 30.6 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 73% | 0.729 | 68% | 0.677 | S | S | * | * | | | trans | 71.2 | 90.6 | 144 | -83.2 | 172.3 | -10.8 | 0 | 0 | 120.8 | | |
| 1995 | T | 25.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 133.8 Ų | 133.8 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | | | | 60 | 115.2 | 113.4 | 55.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1996 | S | 25.9 | Very low | 30.7 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | | | | 85 | 162.3 | 127.2 | -59.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1997 | Q | 32 | Very low | 30.9 | Very low | 157 Ų | 157 | 139.6 Ų | 139.6 | 73% | 0.734 | 68% | 0.679 | S | S | * | * | | | trans | 76.6 | 150.7 | 166.8 | -52.3 | -164.3 | 17.3 | 0 | 0 | 115.7 | | |
| 1998 | I | 33.2 | Very low | 31.1 | Very low | 100 Ų | 100 | 140.9 Ų | 140.9 | 51% | 0.513 | 68% | 0.676 | S | S | . | * | | | cis | -160 | 141.5 | -17.8 | -116.1 | 172.6 | 0 | 0 | 0 | 108.6 | S855 | S855-I1998 CarbonylContact O-C 3.36Š|
| 1999 | H | 32.1 | Very low | 31.1 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 40% | 0.403 | 67% | 0.674 | S | S | . | * | | | trans | 58.4 | 150.5 | 157 | -74.8 | 7 | 0 | 0 | 0 | 120.4 | Q854 S855 | Q854-H1999 PolarHBondContact O-N 3.01Å; S855-H1999 CarbonylContact O-C 2.98Å; S855-H1999 VanDerWaalsContact O-C 3.26Å; S855-H1999 WeakPolarHBondContact O-CA 3.45Å; S855-H1999 PolarHBondContact O-N 2.75Å; S855-H1999 VanDerWaalsContact OG-C 3.26Å; S855-H1999 WeakPolarHBondContact OG-CA 3.34Å |
| 2000 | Q | 32.5 | Very low | 31.3 | Very low | 86 Ų | 86 | 139.3 Ų | 139.3 | 40% | 0.402 | 67% | 0.668 | S | S | . | * | | | cis | -171.2 | 169.1 | -7.8 | -124.3 | -169.7 | 59.6 | 0 | 0 | 109.5 | S855 | S855-Q2000 WeakPolarHBondContact OG-CA 3.48Å; S855-Q2000 PolarHBondContact OG-N 2.98Å |
| 2001 | Q | 34.7 | Very low | 31.3 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | | | trans | 68.3 | 163.6 | 162.7 | -40.2 | -137.2 | -15.7 | 0 | 0 | 115.2 | | |
| 2002 | Y | 32.3 | Very low | 31.4 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 69% | 0.686 | 67% | 0.669 | S | S | * | * | | | cis | -166.3 | 161.7 | -9.9 | -121.6 | -151.8 | 0 | 0 | 0 | 107.7 | | |
| 2003 | Y | 33.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 64% | 0.639 | 68% | 0.679 | S | S | * | * | | | cis | -157.8 | -115.3 | -12.5 | -160.2 | -126.4 | 0 | 0 | 0 | 112.6 | | |
| 2004 | H | 38.4 | Very low | 31.8 | Very low | 142 Ų | 142 | 144.5 Ų | 144.5 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | | | trans | -71.5 | 156.1 | 176.5 | -74.5 | -24.4 | 0 | 0 | 0 | 113.9 | | |
| 2005 | H | 29.8 | Very low | 32 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | | | cis | 77.9 | 74.8 | 34.7 | -163.9 | 91.2 | 0 | 0 | 0 | 115.9 | | |
| 2006 | Q | 36.3 | Very low | 32 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | | | trans | -146.5 | 132 | 148.5 | -92.7 | 176.1 | -0.2 | 0 | 0 | 105.6 | | |
| 2007 | Q | 32 | Very low | 32.2 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | | | cis | 75.5 | 136.6 | 39.5 | -157.8 | -169.2 | 100 | 0 | 0 | 113.1 | | |
| 2008 | Q | 34.9 | Very low | 32 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | | | trans | 82.5 | 119.7 | -177.3 | -52.2 | -156.3 | 16.3 | 0 | 0 | 113.4 | | |
| 2009 | H | 30.1 | Very low | 31.8 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | | | | 84.6 | 149.8 | 65.3 | -107.2 | -109.1 | 0 | 0 | 0 | 113 | | |
| 2010 | H | 36.6 | Very low | 31.6 | Very low | 148 Ų | 148 | 142.6 Ų | 142.6 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | | | trans | 77 | 129 | -175.8 | -40.6 | 97.1 | 0 | 0 | 0 | 113.8 | | |
| 2011 | Q | 28.8 | Very low | 31.3 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | | | cis | 92.8 | 125.1 | 21.4 | -167.8 | -177.8 | 83.8 | 0 | 0 | 114.4 | | |
| 2012 | M | 27.2 | Very low | 31 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 76 | 153.1 | 170.2 | -74.4 | 173.6 | -57 | 0 | 0 | 119.5 | | |
| 2013 | M | 37.4 | Very low | 30.8 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 85% | 0.847 | 74% | 0.739 | S | S | * | * | | | trans | 67 | 107.3 | 175.3 | -53.7 | -169.4 | -70.2 | 0 | 0 | 114.4 | | |
| 2014 | M | 27.2 | Very low | 30.7 | Very low | 181 Ų | 181 | 140.2 Ų | 140.2 | 89% | 0.892 | 74% | 0.743 | S | S | * | * | | | cis | 64 | 148.3 | 43.6 | -53.6 | -175.9 | 167.6 | 0 | 0 | 113.7 | | |
| 2015 | S | 31.4 | Very low | 30.3 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | | | trans | 86.1 | 102.1 | -157.5 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 2016 | S | 25.7 | Very low | 30.2 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | cis | 61.9 | 78.1 | 11.2 | 76.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 2017 | S | 30.3 | Very low | 30 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | -149.9 | 125.5 | 160.7 | -52.6 | 0 | 0 | 0 | 0 | 105.1 | | |
| 2018 | S | 28.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 71% | 0.713 | 69% | 0.689 | S | S | * | * | | | cis | 61.1 | 143.9 | 27.7 | 90.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 2019 | M | 28 | Very low | 29.7 | Very low | 171 Ų | 171 | 122.9 Ų | 122.9 | 84% | 0.842 | 69% | 0.692 | S | S | * | * | | | trans | 69.6 | 139.1 | -151.3 | -54.7 | -177.1 | 70.5 | 0 | 0 | 112.3 | | |
| 2020 | C | 28.9 | Very low | 29.8 | Very low | 88 Ų | 88 | 117.7 Ų | 117.7 | 60% | 0.595 | 68% | 0.684 | S | S | * | * | | | cis | -140.4 | 139.9 | -9.6 | -107.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 2021 | D | 26.9 | Very low | 29.4 | Very low | 131 Ų | 131 | 117.1 Ų | 117.1 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | | | | 60.5 | 147.4 | 83.2 | -72.6 | -64.6 | 0 | 0 | 0 | 114.9 | | |
| 2022 | Y | 28.2 | Very low | 29.3 | Very low | 215 Ų | 215 | 116.6 Ų | 116.6 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | | | trans | 67.7 | 138.2 | 161 | -87.6 | -133.6 | 0 | 0 | 0 | 116.9 | | |
| 2023 | S | 28 | Very low | 29.2 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 68% | 0.68 | S | S | * | * | | | cis | -169.3 | 146.6 | -7.8 | -122.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 2024 | G | 29.9 | Very low | 28.6 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | | | trans | 62.9 | -168.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 2025 | S | 30 | Very low | 28.5 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 74% | 0.741 | 67% | 0.672 | S | S | * | * | | | cis | -174.1 | 154.6 | -13.9 | -102.3 | 0 | 0 | 0 | 0 | 106.3 | | |
| 2026 | S | 29.1 | Very low | 28.3 | Very low | 56 Ų | 56 | 113.4 Ų | 113.4 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | | | cis | -169.4 | 146 | -13.3 | 170.7 | 0 | 0 | 0 | 0 | 108.4 | R2159 | S2026-R2159 PolarHBondContact O-NE 3.09Å; S2026-R2159 PolarHBondContact O-NH2 2.94Å |
| 2027 | S | 31.1 | Very low | 28.5 | Very low | 50 Ų | 50 | 113.6 Ų | 113.6 | 35% | 0.35 | 67% | 0.671 | S | S | . | * | | | trans | 58.7 | 105.1 | 145.9 | 62.9 | 0 | 0 | 0 | 0 | 121.5 | R2159 S2160 | S2027-R2159 VanDerWaalsContact C-CD 3.49Å; S2027-R2159 PolarHBondContact O-NE 3.36Å; S2027-R2159 VanDerWaalsContact O-NE 3.08Å; S2027-R2159 PolarHBondContact O-NH1 3.09Å; S2027-R2159 PolarHBondContact O-NH2 3.2Å; S2027-S2160 PolarHBondContact N-OG 2.85Å |
| 2028 | N | 29.4 | Very low | 28.3 | Very low | 63 Ų | 63 | 114.8 Ų | 114.8 | 34% | 0.337 | 67% | 0.674 | S | S | . | * | | | trans | 68.8 | -174 | 134.9 | -37.8 | -13.7 | 0 | 0 | 0 | 116 | R2159 W2162 | N2028-R2159 WeakPolarHBondContact O-CD 3.29Å; N2028-R2159 PolarHBondContact O-NE 3.37Å; N2028-R2159 PolarHBondContact O-NH1 2.78Å; N2028-W2162 PolarHBondContact OD1-NE1 3.08Å |
| 2029 | N | 30.9 | Very low | 28.4 | Very low | 142 Ų | 142 | 116 Ų | 116 | 76% | 0.759 | 67% | 0.673 | S | S | * | * | | | cis | -165.2 | 167 | 12.2 | -141.3 | 3.1 | 0 | 0 | 0 | 107.7 | | |
| 2030 | G | 32.2 | Very low | 28.4 | Very low | 58 Ų | 58 | 115.2 Ų | 115.2 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | | | trans | 91.9 | 99.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 2031 | N | 28.8 | Very low | 28.5 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | | | | 74.6 | 137 | 51.7 | -55.1 | -4.4 | 0 | 0 | 0 | 113.1 | | |
| 2032 | N | 26.8 | Very low | 28.6 | Very low | 144 Ų | 144 | 116.9 Ų | 116.9 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | | | trans | 61.1 | 116.4 | 159.2 | -62.7 | 22 | 0 | 0 | 0 | 115.2 | | |
| 2033 | S | 25.3 | Very low | 28.5 | Very low | 81 Ų | 81 | 114.8 Ų | 114.8 | 57% | 0.566 | 67% | 0.665 | S | S | * | * | | | | 68.2 | 130.8 | 59.8 | 92.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 2034 | D | 24.5 | Very low | 28.8 | Very low | 127 Ų | 127 | 116 Ų | 116 | 68% | 0.679 | 67% | 0.668 | S | S | * | * | | | trans | 70.2 | 165 | 165.2 | -46.9 | -62.9 | 0 | 0 | 0 | 117.4 | | |
| 2035 | W | 25.4 | Very low | 28.7 | Very low | 235 Ų | 235 | 119.3 Ų | 119.3 | 89% | 0.89 | 67% | 0.667 | S | S | * | * | | | trans | 60.5 | 86.5 | 169 | -50.4 | -35 | 0 | 0 | 0 | 116.7 | | |
| 2036 | S | 26.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 70% | 0.699 | 67% | 0.665 | S | S | * | * | | | | 92.7 | 111.9 | 67.6 | 66 | 0 | 0 | 0 | 0 | 114.2 | | |
| 2037 | S | 29.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | | | | -139.9 | 75 | 127.2 | 66 | 0 | 0 | 0 | 0 | 109.4 | N2039 | S2037-N2039 PolarHBondContact O-N 3.29Š|
| 2038 | T | 27.3 | Very low | 28 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 77% | 0.773 | 69% | 0.689 | S | S | * | * | | | trans | -42.6 | 104.1 | 153.6 | -52.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 2039 | N | 30.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 126 Ų | 126 | 68% | 0.684 | 70% | 0.704 | S | S | * | * | | | trans | -169.8 | 133.6 | 160.1 | -92.8 | -23.2 | 0 | 0 | 0 | 107.8 | S2037 | S2037-N2039 PolarHBondContact O-N 3.29Š|
| 2040 | Q | 27.9 | Very low | 27.6 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 68% | 0.684 | S | S | * | * | | | cis | -175.5 | 164.2 | -18.7 | -134.2 | -173.5 | 88.2 | 0 | 0 | 104.2 | | |
| 2041 | V | 30.8 | Very low | 27.2 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 68% | 0.68 | S | S | * | * | | | trans | 64.6 | 123.3 | 160.4 | 170.5 | 0 | 0 | 0 | 0 | 115.1 | | |
| 2042 | Q | 28.7 | Very low | 27.1 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 65% | 0.645 | 68% | 0.684 | S | S | * | * | | | cis | -161.9 | 158.6 | -4.6 | -160.1 | 65.5 | -8.3 | 0 | 0 | 107.5 | | |
| 2043 | F | 27.1 | Very low | 27 | Very low | 171 Ų | 171 | 120.3 Ų | 120.3 | 75% | 0.75 | 67% | 0.671 | S | S | * | * | | | trans | -12.1 | 142.6 | 138.1 | -43.5 | -126.3 | 0 | 0 | 0 | 113.5 | | |
| 2044 | V | 32.9 | Very low | 27 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 72% | 0.721 | 66% | 0.664 | S | S | * | * | | | cis | -148.2 | 134.8 | 46.3 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | S2046 | V2044-S2046 WeakPolarHBondContact CG1-OG 3.23Å; V2044-S2046 PolarHBondContact O-N 3.3Å |
| 2045 | M | 29.4 | Very low | 27 | Very low | 141 Ų | 141 | 121.3 Ų | 121.3 | 70% | 0.695 | 66% | 0.658 | S | S | * | * | | | trans | -75.1 | 114.6 | 157.5 | -79.7 | 177.7 | -84.4 | 0 | 0 | 109.7 | P1011 | P1011-M2045 HydrophobicContact CB-CE 4.38Š|
| 2046 | S | 27.5 | Very low | 26.9 | Very low | 102 Ų | 102 | 114.6 Ų | 114.6 | 71% | 0.713 | 65% | 0.647 | S | S | * | * | | | trans | -149.9 | 91.8 | 164.5 | -72.8 | 0 | 0 | 0 | 0 | 105.5 | V2044 | V2044-S2046 WeakPolarHBondContact CG1-OG 3.23Å; V2044-S2046 PolarHBondContact O-N 3.3Å |
| 2047 | N | 23.3 | Very low | 26.7 | Very low | 139 Ų | 139 | 114.6 Ų | 114.6 | 74% | 0.743 | 65% | 0.647 | S | S | * | * | | | cis | 58.2 | 140.3 | 44 | -171.3 | 40.1 | 0 | 0 | 0 | 112 | | |
| 2048 | S | 24.7 | Very low | 26.4 | Very low | 72 Ų | 72 | 116 Ų | 116 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | | | trans | 71.5 | 172 | -166 | -30.4 | 0 | 0 | 0 | 0 | 111.5 | G153 | G153-S2048 WeakPolarHBondContact O-CA 3.47Š|
| 2049 | T | 24.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 114.6 Ų | 114.6 | 63% | 0.632 | 64% | 0.636 | S | S | * | * | | | cis | -148.8 | 111.4 | 24.7 | 18 | 0 | 0 | 0 | 0 | 113.1 | G153 G154 V155 | G153-T2049 CarbonylContact O-C 3.28Å; G153-T2049 VanDerWaalsContact O-CA 3.27Å; G153-T2049 WeakPolarHBondContact O-CA 3.31Å; G154-T2049 CarbonylContact O-C 3.5Å; G154-T2049 WeakPolarHBondContact O-CA 3.42Å; G154-T2049 WeakPolarHBondContact O-CB 3.47Å; G154-T2049 WeakPolarHBondContact O-CG2 3.29Å; V155-T2049 WeakPolarHBondContact O-CG2 3.38Å |
| 2050 | L | 26.4 | Very low | 26 | Very low | 66 Ų | 66 | 115.3 Ų | 115.3 | 35% | 0.346 | 64% | 0.64 | S | S | . | * | | | trans | 42.6 | 136 | 166.4 | -130 | 84.4 | 0 | 0 | 0 | 119.4 | G153 G154 V155 | G153-L2050 PolarHBondContact O-N 3.26Å; G154-L2050 VanDerWaalsContact C-CB 3.45Å; G154-L2050 WeakPolarHBondContact O-CA 3.31Å; G154-L2050 WeakPolarHBondContact O-CB 3.31Å; G154-L2050 PolarHBondContact O-N 3.03Å; V155-L2050 HydrophobicContact CG1-CD1 4.35Å; V155-L2050 HydrophobicContact CG1-CD2 3.5Å; V155-L2050 HydrophobicContact CG1-CG 4.39Å |
| 2051 | N | 25.1 | Very low | 25.8 | Very low | 98 Ų | 98 | 113.4 Ų | 113.4 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | | | | -14 | 135.7 | 126.6 | -37.5 | -28.7 | 0 | 0 | 0 | 114.6 | | |
| 2052 | S | 25.5 | Very low | 25.8 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | | | | -145.3 | 81.1 | 121.3 | -137.2 | 0 | 0 | 0 | 0 | 110 | | |
| 2053 | T | 25.9 | Very low | 25.9 | Very low | 79 Ų | 79 | 113.4 Ų | 113.4 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | | | trans | -50.5 | 168.4 | 131.1 | 38.2 | 0 | 0 | 0 | 0 | 109.2 | N1416 | N1416-T2053 WeakPolarHBondContact OD1-CB 3.48Å; N1416-T2053 PolarHBondContact OD1-OG1 3.39Å |
| 2054 | M | 25.1 | Very low | 25.8 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 43% | 0.429 | 63% | 0.632 | S | S | . | * | | | trans | 113.4 | 142.8 | 145.7 | -58.2 | 175.7 | 132.6 | 0 | 0 | 119.1 | N1416 S1417 L1418 | N1416-M2054 VanDerWaalsContact C-CG 3.46Å; N1416-M2054 HydrophobicContact CB-CB 4.24Å; N1416-M2054 HydrophobicContact CB-CE 4.44Å; N1416-M2054 HydrophobicContact CB-CG 3.67Å; N1416-M2054 CarbonylContact O-C 3.55Å; N1416-M2054 WeakPolarHBondContact O-CA 3.28Å; N1416-M2054 VanDerWaalsContact O-CB 3.22Å; N1416-M2054 WeakPolarHBondContact O-CB 3.22Å; N1416-M2054 WeakPolarHBondContact OD1-CE 3.36Å; N1416-M2054 WeakPolarHBondContact OD1-CG 3.25Å; S1417-M2054 VanDerWaalsContact CA-SD 3.53Å; S1417-M2054 WeakPolarHBondContact OG-CB 3.4Å; L1418-M2054 PolarHBondContact N-SD 3.47Å; L1418-M2054 VanDerWaalsContact N-SD 3.41Å |
| 2055 | Y | 22.9 | Very low | 25.5 | Very low | 142 Ų | 142 | 112 Ų | 112 | 56% | 0.557 | 63% | 0.633 | S | S | * | * | | | trans | -12.5 | 137 | -170.5 | -65.9 | -33.4 | 0 | 0 | 0 | 120.3 | N1416 S1417 | N1416-Y2055 VanDerWaalsContact O-CD1 3.22Å; N1416-Y2055 WeakPolarHBondContact O-CD1 3.49Å; N1416-Y2055 VanDerWaalsContact O-CG 3.24Å; N1416-Y2055 PolarHBondContact O-N 3.19Å; S1417-Y2055 PolarHBondContact OG-N 2.84Å |
| 2056 | S | 24 | Very low | 25.3 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 66% | 0.657 | 63% | 0.633 | S | S | * | * | | | | 57.2 | 128.2 | 122.1 | -148.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 2057 | S | 22.3 | Very low | 25.3 | Very low | 100 Ų | 100 | 111.8 Ų | 111.8 | 70% | 0.699 | 63% | 0.634 | S | S | * | * | | | | -148.5 | 133.8 | 84.1 | -87.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 2058 | H | 22.9 | Very low | 25.5 | Very low | 144 Ų | 144 | 111.1 Ų | 111.1 | 67% | 0.667 | 63% | 0.634 | S | S | * | * | | | trans | 58.4 | 106.6 | 137.4 | -65.9 | 76.5 | 0 | 0 | 0 | 117 | N2060 | H2058-N2060 PolarHBondContact O-N 2.9Š|
| 2059 | S | 25.6 | Very low | 25.7 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 65% | 0.649 | S | S | * | * | | | | 11.4 | 98.6 | 116.6 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 2060 | N | 24.3 | Very low | 25.9 | Very low | 143 Ų | 143 | 111.5 Ų | 111.5 | 77% | 0.765 | 65% | 0.652 | S | S | * | * | | | | -113.7 | 112.6 | 127 | -98.3 | -55 | 0 | 0 | 0 | 108.5 | H2058 I2062 | H2058-N2060 PolarHBondContact O-N 2.9Å; N2060-I2062 PolarHBondContact O-N 3.29Å |
| 2061 | N | 24.1 | Very low | 26 | Very low | 115 Ų | 115 | 112.9 Ų | 112.9 | 62% | 0.615 | 66% | 0.663 | S | S | * | * | | | | 29.5 | 91.7 | 114.6 | -52.8 | -53.8 | 0 | 0 | 0 | 114.4 | | |
| 2062 | I | 29.7 | Very low | 26.2 | Very low | 161 Ų | 161 | 114.9 Ų | 114.9 | 83% | 0.826 | 68% | 0.679 | S | S | * | * | | | | -153.5 | 99.2 | 95.6 | -94.8 | 149.6 | 0 | 0 | 0 | 106.7 | N2060 | N2060-I2062 PolarHBondContact O-N 3.29Š|
| 2063 | V | 31.9 | Very low | 26.2 | Very low | 94 Ų | 94 | 112.1 Ų | 112.1 | 57% | 0.57 | 67% | 0.669 | S | S | * | * | | | | 79.2 | 92.5 | 80 | 166.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 2064 | D | 23.3 | Very low | 26.3 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 65% | 0.652 | 68% | 0.682 | S | S | * | * | | | | 23 | 108.3 | 116.1 | -48.8 | -67.8 | 0 | 0 | 0 | 115.7 | | |
| 2065 | N | 28.2 | Very low | 26.4 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | | | | -160.2 | 119.8 | 91.4 | -102.6 | -70.7 | 0 | 0 | 0 | 112.9 | S2067 | N2065-S2067 PolarHBondContact O-N 2.73Å; N2065-S2067 VanDerWaalsContact O-N 3.11Å |
| 2066 | I | 24.8 | Very low | 26.9 | Very low | 134 Ų | 134 | 118.5 Ų | 118.5 | 69% | 0.687 | 71% | 0.713 | S | S | * | * | | | | 10.8 | 89.7 | 114.2 | -44.4 | 174.3 | 0 | 0 | 0 | 114.5 | | |
| 2067 | S | 26.3 | Very low | 27.3 | Very low | 105 Ų | 105 | 120.8 Ų | 120.8 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | | | | -165.7 | 115.8 | 124.1 | -82.7 | 0 | 0 | 0 | 0 | 109.3 | N2065 | N2065-S2067 PolarHBondContact O-N 2.73Å; N2065-S2067 VanDerWaalsContact O-N 3.11Å |
| 2068 | V | 27.5 | Very low | 27.9 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 76% | 0.758 | 71% | 0.705 | S | S | * | * | | | | 65.6 | 79.5 | 70 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 2069 | S | 30.8 | Very low | 28 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | | | | -158.8 | 150.8 | 115.7 | -84.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 2070 | G | 28.1 | Very low | 28.3 | Very low | 68 Ų | 68 | 119.5 Ų | 119.5 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | trans | -83.9 | -122.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 2071 | V | 28.8 | Very low | 28.5 | Very low | 94 Ų | 94 | 119.6 Ų | 119.6 | 57% | 0.57 | 71% | 0.709 | S | S | * | * | | | trans | 76.6 | 99.3 | -164.9 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | | |
| 2072 | V | 27.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 120.7 Ų | 120.7 | 86% | 0.855 | 71% | 0.714 | S | S | * | * | | | | 65.8 | 128.9 | 61.4 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 2073 | G | 26.8 | Very low | 29.2 | Very low | 59 Ų | 59 | 116.1 Ų | 116.1 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | | | trans | 108.9 | 141.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 2074 | S | 27.5 | Very low | 29.3 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 76% | 0.755 | 70% | 0.702 | S | S | * | * | | | cis | 73.2 | 71.7 | 37.6 | -50.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 2075 | M | 27.7 | Very low | 30 | Very low | 178 Ų | 178 | 113.7 Ų | 113.7 | 88% | 0.877 | 69% | 0.689 | S | S | * | * | | | trans | -152.9 | 116 | 150.5 | -102.3 | 165.6 | -71.1 | 0 | 0 | 103.8 | | |
| 2076 | M | 33 | Very low | 30.4 | Very low | 155 Ų | 155 | 110.3 Ų | 110.3 | 76% | 0.764 | 67% | 0.673 | S | S | * | * | | | cis | 52.9 | 130 | 31.1 | -75.1 | -177.8 | 154.4 | 0 | 0 | 110.7 | | |
| 2077 | E | 31.5 | Very low | 31.1 | Very low | 143 Ų | 143 | 108.6 Ų | 108.6 | 67% | 0.668 | 67% | 0.665 | S | S | * | * | | | cis | -161 | 176 | 19.1 | -135.6 | 174.9 | 136.9 | 0 | 0 | 112.4 | | |
| 2078 | N | 34.9 | Very low | 31.5 | Very low | 99 Ų | 99 | 107.5 Ų | 107.5 | 53% | 0.529 | 66% | 0.663 | S | S | . | * | | | trans | 19.5 | 128.3 | 138.4 | -83.9 | -44.1 | 0 | 0 | 0 | 119.7 | T2080 | N2078-T2080 HydrophobicContact CB-CG2 3.81Å; N2078-T2080 VanDerWaalsContact CB-N 3.31Å; N2078-T2080 PolarHBondContact OD1-N 3.09Å; N2078-T2080 VanDerWaalsContact OD1-N 3.13Å |
| 2079 | S | 26.4 | Very low | 31.9 | Very low | 128 Ų | 128 | 108.5 Ų | 108.5 | 90% | 0.895 | 66% | 0.664 | S | S | * | * | | | | -100.8 | 85.3 | 108.8 | -66.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 2080 | T | 31 | Very low | 32.1 | Very low | 84 Ų | 84 | 108.2 Ų | 108.2 | 52% | 0.515 | 66% | 0.662 | S | S | . | * | | | | 31.2 | 137.8 | 91.8 | 27.8 | 0 | 0 | 0 | 0 | 115.4 | N2078 | N2078-T2080 HydrophobicContact CB-CG2 3.81Å; N2078-T2080 VanDerWaalsContact CB-N 3.31Å; N2078-T2080 PolarHBondContact OD1-N 3.09Å; N2078-T2080 VanDerWaalsContact OD1-N 3.13Å |
| 2081 | N | 29.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 112 Ų | 112 | 78% | 0.775 | 67% | 0.666 | S | S | * | * | | | | -154.2 | 116 | 126.1 | -106.6 | -22.5 | 0 | 0 | 0 | 113.6 | | |
| 2082 | I | 32.8 | Very low | 32.6 | Very low | 139 Ų | 139 | 113.6 Ų | 113.6 | 71% | 0.713 | 68% | 0.681 | S | S | * | * | | | trans | 69.7 | 137.5 | 137.9 | -59.4 | 161.4 | 0 | 0 | 0 | 118.7 | | |
| 2083 | G | 35.4 | Very low | 32.7 | Very low | 64 Ų | 64 | 110 Ų | 110 | 66% | 0.66 | 67% | 0.673 | S | S | * | * | | | trans | -161.8 | -53.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 2084 | H | 34.6 | Very low | 32.7 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 49% | 0.486 | 68% | 0.684 | S | S | . | * | | | trans | 56.9 | 174 | 156.8 | -74.1 | -123.6 | 0 | 0 | 0 | 123.1 | K1932 D1934 | K1932-H2084 WeakPolarHBondContact CE-O 3.41Å; D1934-H2084 IonicContact OD1-CE1 2.68Å; D1934-H2084 PolarHBondContact OD1-CE1 3.39Å; D1934-H2084 IonicContact OD1-ND1 3.98Å; D1934-H2084 PolarHBondContact OD1-ND1 2.9Å; D1934-H2084 IonicContact OD2-CE1 3.92Å; D1934-H2084 PolarHBondContact OD2-CE1 2.88Å; D1934-H2084 IonicContact OD2-CG 3.4Å; D1934-H2084 IonicContact OD2-ND1 3.44Å; D1934-H2084 PolarHBondContact OD2-ND1 3.22Å |
| 2085 | T | 36.4 | Very low | 32.7 | Very low | 60 Ų | 60 | 114.1 Ų | 114.1 | 37% | 0.368 | 68% | 0.68 | S | S | . | * | | | trans | 72.8 | 101.4 | 151.7 | 57.4 | 0 | 0 | 0 | 0 | 128.7 | K1932 M1933 D1934 | K1932-T2085 VanDerWaalsContact CD-C 3.47Å; K1932-T2085 WeakPolarHBondContact CD-O 3.24Å; K1932-T2085 WeakPolarHBondContact CE-O 3.46Å; K1932-T2085 WeakPolarHBondContact CG-O 3.23Å; K1932-T2085 PolarHBondContact NZ-O 3.01Å; M1933-T2085 HydrophobicContact CE-CG2 4.12Å; M1933-T2085 HydrophobicContact CG-CG2 3.59Å; D1934-T2085 HydrophobicContact CB-CG2 4.44Å |
| 2086 | T | 36.8 | Very low | 32.9 | Very low | 66 Ų | 66 | 111.6 Ų | 111.6 | 41% | 0.405 | 68% | 0.675 | S | S | . | * | | | trans | 73 | 106.5 | 161.5 | 3.8 | 0 | 0 | 0 | 0 | 126.4 | K1932 M1933 | K1932-T2086 VanDerWaalsContact C-CA 3.48Å; K1932-T2086 CarbonylContact O-C 3.52Å; K1932-T2086 WeakPolarHBondContact O-CA 3.34Å; K1932-T2086 PolarHBondContact O-N 3.3Å; M1933-T2086 HydrophobicContact CB-CG2 3.89Å; M1933-T2086 HydrophobicContact CE-CG2 4.48Å; M1933-T2086 WeakPolarHBondContact CE-OG1 3.36Å; M1933-T2086 HydrophobicContact CG-CG2 4Å; M1933-T2086 VanDerWaalsContact CG-N 3.35Å; M1933-T2086 VanDerWaalsContact CG-OG1 3.3Å; M1933-T2086 WeakPolarHBondContact CG-OG1 3.37Å; M1933-T2086 HydrophobicContact SD-CG2 3.46Å; M1933-T2086 WeakPolarHBondContact SD-CG2 3.42Å; M1933-T2086 PolarHBondContact SD-OG1 3.17Å |
| 2087 | N | 39.5 | Very low | 32.6 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 52% | 0.524 | 67% | 0.67 | S | S | . | * | | | | -2.9 | 130.8 | 123.6 | -157.2 | -25.5 | 0 | 0 | 0 | 118.7 | T1931 K1932 | T1931-N2087 WeakPolarHBondContact O-CA 3.19Å; T1931-N2087 VanDerWaalsContact O-CB 3.25Å; T1931-N2087 WeakPolarHBondContact O-CB 3.42Å; T1931-N2087 PolarHBondContact O-N 3.08Å; T1931-N2087 WeakPolarHBondContact OG1-CA 3.48Å; T1931-N2087 PolarHBondContact OG1-N 3.04Å; K1932-N2087 PolarHBondContact O-N 3.13Å |
| 2088 | A | 36.3 | Very low | 32.4 | Very low | 82 Ų | 82 | 107.1 Ų | 107.1 | 68% | 0.678 | 66% | 0.664 | S | S | * | * | | | trans | -154.7 | 118.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1931 | T1931-A2088 PolarHBondContact OG1-N 3.48Š|
| 2089 | N | 34.7 | Very low | 32 | Very low | 147 Ų | 147 | 107 Ų | 107 | 79% | 0.786 | 67% | 0.667 | S | S | * | * | | | trans | -76.1 | 134.3 | 175 | 173.9 | 11.2 | 0 | 0 | 0 | 112.2 | | |
| 2090 | S | 34.8 | Very low | 32.1 | Very low | 110 Ų | 110 | 103.8 Ų | 103.8 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | | | trans | -168.8 | 118.8 | 160.6 | -85.4 | 0 | 0 | 0 | 0 | 116 | | |
| 2091 | N | 33.3 | Very low | 31.9 | Very low | 147 Ų | 147 | 104.5 Ų | 104.5 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | | | trans | 22.1 | 150.2 | 138 | -75.9 | -22.4 | 0 | 0 | 0 | 124.2 | | |
| 2092 | S | 35.4 | Very low | 31.9 | Very low | 127 Ų | 127 | 101.6 Ų | 101.6 | 89% | 0.888 | 63% | 0.631 | S | S | * | * | | | trans | 70.9 | 155.7 | 165.8 | 77 | 0 | 0 | 0 | 0 | 116.5 | | |
| 2093 | G | 29.2 | Very low | 31.6 | Very low | 67 Ų | 67 | 100.6 Ų | 100.6 | 69% | 0.691 | 63% | 0.627 | S | S | * | * | | | cis | 154.4 | 141.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 2094 | N | 27.1 | Very low | 31.2 | Very low | 157 Ų | 157 | 105.8 Ų | 105.8 | 84% | 0.84 | 63% | 0.634 | S | S | * | * | | | trans | 60.4 | 121.2 | 176.7 | -79.6 | -17.3 | 0 | 0 | 0 | 119.8 | | |
| 2095 | S | 26.8 | Very low | 31 | Very low | 95 Ų | 95 | 108.6 Ų | 108.6 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | | | | 25.8 | 124.6 | 112.8 | -47 | 0 | 0 | 0 | 0 | 120.4 | | |
| 2096 | T | 32.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | | | trans | 52.7 | 109 | 152.5 | 53.8 | 0 | 0 | 0 | 0 | 118.6 | | |
| 2097 | P | 26.1 | Very low | 30 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | | | | -133.2 | 139 | 112.4 | 33.8 | -24.6 | 0 | 0 | 0 | 111.9 | N586 V2099 | N586-P2097 PolarHBondContact ND2-O 2.69Å; P2097-V2099 HydrophobicContact CB-CG2 4.07Å |
| 2098 | N | 26.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 114.6 Ų | 114.6 | 54% | 0.54 | 67% | 0.667 | S | S | . | * | | | cis | 64.6 | 41.5 | 14.6 | -129.8 | 52.2 | 0 | 0 | 0 | 116.9 | N585 N586 | N585-N2098 WeakPolarHBondContact CB-OD1 3.39Å; N585-N2098 VanDerWaalsContact CG-C 3.48Å; N585-N2098 VanDerWaalsContact ND2-C 3.3Å; N585-N2098 PolarHBondContact ND2-ND2 3.33Å; N585-N2098 PolarHBondContact ND2-O 2.77Å; N585-N2098 PolarHBondContact ND2-OD1 3.11Å; N586-N2098 PolarHBondContact ND2-N 2.9Å |
| 2099 | V | 26.8 | Very low | 28.9 | Very low | 97 Ų | 97 | 116.9 Ų | 116.9 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | | | trans | -141.5 | 86.8 | 159 | -173.5 | 0 | 0 | 0 | 0 | 110.6 | N585 N586 P2097 N2101 | N585-V2099 VanDerWaalsContact OD1-CA 3.23Å; N585-V2099 WeakPolarHBondContact OD1-CA 3.39Å; N586-V2099 PolarHBondContact ND2-N 2.78Å; N586-V2099 PolarHBondContact OD1-O 3.08Å; N586-V2099 VanDerWaalsContact OD1-O 3.09Å; P2097-V2099 HydrophobicContact CB-CG2 4.07Å; V2099-N2101 PolarHBondContact O-N 3.23Å |
| 2100 | N | 28 | Very low | 28.8 | Very low | 60 Ų | 60 | 115.1 Ų | 115.1 | 32% | 0.321 | 67% | 0.667 | S | S | . | * | | | trans | -59.5 | 130.6 | 157.4 | -96.4 | -9.3 | 0 | 0 | 0 | 105.4 | N584 N585 N586 | N584-N2100 HydrophobicContact CB-CB 4.02Å; N585-N2100 VanDerWaalsContact CA-CG 3.4Å; N585-N2100 WeakPolarHBondContact CA-ND2 3.24Å; N585-N2100 PolarHBondContact N-ND2 2.84Å; N585-N2100 PolarHBondContact OD1-N 3.21Å; N586-N2100 WeakPolarHBondContact CA-OD1 3.11Å; N586-N2100 VanDerWaalsContact OD1-CA 3.29Å; N586-N2100 WeakPolarHBondContact OD1-CA 2.95Å; N586-N2100 PolarHBondContact OD1-N 2.94Å; N586-N2100 PolarHBondContact OD1-OD1 2.93Å |
| 2101 | N | 27.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 54% | 0.535 | 67% | 0.665 | S | S | . | * | | | trans | -168.2 | 148.9 | 142.3 | -106.3 | -50 | 0 | 0 | 0 | 114.6 | N584 V2099 | N584-N2101 PolarHBondContact ND2-ND2 2.82Å; N584-N2101 VanDerWaalsContact ND2-ND2 3.14Å; N584-N2101 PolarHBondContact ND2-OD1 3.28Å; V2099-N2101 PolarHBondContact O-N 3.23Å |
| 2102 | S | 28.5 | Very low | 28.2 | Very low | 83 Ų | 83 | 113.9 Ų | 113.9 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | | | trans | 68.3 | 117.4 | 145.3 | -68.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 2103 | N | 27.2 | Very low | 28 | Very low | 118 Ų | 118 | 115.3 Ų | 115.3 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | | | | 54.3 | 69.9 | 67.4 | -52.9 | -53 | 0 | 0 | 0 | 111.2 | | |
| 2104 | H | 27.3 | Very low | 28.4 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 80% | 0.801 | 65% | 0.652 | S | S | * | * | | | | -138.5 | 121.9 | 94.6 | -85.1 | -70.1 | 0 | 0 | 0 | 108.6 | R2106 | H2104-R2106 VanDerWaalsContact C-N 3.34Š|
| 2105 | K | 29 | Very low | 28.6 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | | | cis | 47.8 | 56.4 | 35.9 | -156.1 | 179.5 | -176.3 | 177.8 | 0 | 110.6 | P2107 | K2105-P2107 HydrophobicContact CG-CG 4.26Å; K2105-P2107 WeakPolarHBondContact O-CD 3.45Å |
| 2106 | R | 25.3 | Very low | 28.8 | Very low | 200 Ų | 200 | 117.1 Ų | 117.1 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | | | trans | -110.6 | 64.3 | 154.5 | -147.6 | -171 | -171.6 | -144.8 | 1.2 | 111.9 | H2104 S2108 | H2104-R2106 VanDerWaalsContact C-N 3.34Å; R2106-S2108 VanDerWaalsContact CZ-OG 3.23Å; R2106-S2108 PolarHBondContact NE-OG 3.28Å; R2106-S2108 PolarHBondContact NH2-OG 3.45Å; R2106-S2108 PolarHBondContact O-N 3.46Å |
| 2107 | P | 28.5 | Very low | 28.9 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 58% | 0.578 | 64% | 0.64 | S | S | * | * | | | trans | -58.5 | 103.9 | 131.8 | 29.5 | -24.2 | 0 | 0 | 0 | 104 | K2105 V2109 | K2105-P2107 HydrophobicContact CG-CG 4.26Å; K2105-P2107 WeakPolarHBondContact O-CD 3.45Å; P2107-V2109 PolarHBondContact O-N 3.11Å |
| 2108 | S | 24.5 | Very low | 29 | Very low | 62 Ų | 62 | 119.5 Ų | 119.5 | 43% | 0.434 | 64% | 0.639 | S | S | . | * | | | trans | -74.7 | 78.8 | -175.6 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | R2106 V2110 | R2106-S2108 VanDerWaalsContact CZ-OG 3.23Å; R2106-S2108 PolarHBondContact NE-OG 3.28Å; R2106-S2108 PolarHBondContact NH2-OG 3.45Å; R2106-S2108 PolarHBondContact O-N 3.46Å; S2108-V2110 PolarHBondContact O-N 3.49Å |
| 2109 | V | 28.3 | Very low | 29.3 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 78% | 0.782 | 65% | 0.647 | S | S | * | * | | | trans | -61.2 | 88.5 | 169.2 | -179.6 | 0 | 0 | 0 | 0 | 107.2 | P2107 | P2107-V2109 PolarHBondContact O-N 3.11Š|
| 2110 | V | 31.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 120.1 Ų | 120.1 | 67% | 0.673 | 63% | 0.634 | S | S | * | * | | | trans | -113.4 | 83.5 | 163.6 | -178.3 | 0 | 0 | 0 | 0 | 106.7 | S2108 | S2108-V2110 PolarHBondContact O-N 3.49Š|
| 2111 | N | 28.8 | Very low | 29.7 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | | | trans | 72.6 | 155.5 | 146 | -85.5 | 7.8 | 0 | 0 | 0 | 118.8 | | |
| 2112 | P | 28.2 | Very low | 29.7 | Very low | 94 Ų | 94 | 121.6 Ų | 121.6 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | | | | -136.2 | -124.1 | -125.5 | 34.3 | -9.7 | 0 | 0 | 0 | 110.1 | N2114 | P2112-N2114 PolarHBondContact O-N 2.59Š|
| 2113 | M | 31.4 | Very low | 29.8 | Very low | 156 Ų | 156 | 122.5 Ų | 122.5 | 77% | 0.768 | 64% | 0.643 | S | S | * | * | | | trans | 25.1 | 99.6 | 141.7 | -66.8 | 168 | 74.7 | 0 | 0 | 114.6 | | |
| 2114 | N | 36.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | | | cis | -139.1 | 159.8 | 32.4 | -57.2 | -47.5 | 0 | 0 | 0 | 110.3 | P2112 | P2112-N2114 PolarHBondContact O-N 2.59Š|
| 2115 | G | 32 | Very low | 29.9 | Very low | 60 Ų | 60 | 115.6 Ų | 115.6 | 62% | 0.619 | 62% | 0.617 | S | S | * | * | | | cis | 75.8 | 135.7 | 33.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 2116 | E | 30.4 | Very low | 30 | Very low | 166 Ų | 166 | 111.9 Ų | 111.9 | 78% | 0.776 | 60% | 0.602 | S | S | * | * | | | trans | 62 | 174.2 | 165.5 | -52.8 | -173.9 | 139.6 | 0 | 0 | 114.2 | | |
| 2117 | M | 33.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 103.7 Ų | 103.7 | 65% | 0.645 | 58% | 0.575 | S | S | * | * | | | cis | -135.5 | 122.3 | -36.1 | -125.3 | -174.3 | -74.4 | 0 | 0 | 110.6 | H2119 | M2117-H2119 PolarHBondContact O-N 3.3Š|
| 2118 | K | 29.6 | Very low | 30 | Very low | 146 Ų | 146 | 102.9 Ų | 102.9 | 64% | 0.635 | 56% | 0.564 | S | S | * | * | | | trans | 41.7 | 66.5 | 132.2 | -69.3 | -177.6 | 172.4 | -179.5 | 0 | 118.8 | R844 | R844-K2118 VanDerWaalsContact NH1-CA 3.33Å; R844-K2118 PolarHBondContact NH1-O 2.99Å; R844-K2118 PolarHBondContact NH2-O 3.32Å |
| 2119 | H | 33 | Very low | 30.4 | Very low | 152 Ų | 152 | 104.4 Ų | 104.4 | 70% | 0.704 | 56% | 0.564 | S | S | * | * | | | trans | -139.2 | 136.2 | 152.7 | -90.7 | -95.5 | 0 | 0 | 0 | 110.1 | M2117 | M2117-H2119 PolarHBondContact O-N 3.3Š|
| 2120 | N | 27.5 | Very low | 30.5 | Very low | 59 Ų | 59 | 105.7 Ų | 105.7 | 32% | 0.316 | 56% | 0.561 | S | S | . | * | | | cis | 68.4 | 149.4 | 45.9 | -120 | 2.2 | 0 | 0 | 0 | 115.5 | R844 N845 | R844-N2120 WeakPolarHBondContact CA-OD1 3.28Å; R844-N2120 HydrophobicContact CB-CB 4.46Å; R844-N2120 WeakPolarHBondContact CB-OD1 3.07Å; R844-N2120 PolarHBondContact NE-ND2 3.01Å; R844-N2120 PolarHBondContact O-OD1 3.2Å; N845-N2120 PolarHBondContact OD1-OD1 2.82Å |
| 2121 | I | 33.9 | Very low | 30.4 | Very low | 134 Ų | 134 | 104.3 Ų | 104.3 | 69% | 0.687 | 56% | 0.561 | S | S | * | * | | | trans | 75.2 | 107.1 | -178.2 | -54.2 | 144.7 | 0 | 0 | 0 | 109.1 | N845 | N845-I2121 VanDerWaalsContact OD1-CA 3.29Å; N845-I2121 WeakPolarHBondContact OD1-CA 3.45Å; N845-I2121 PolarHBondContact OD1-N 2.98Å |
| 2122 | S | 28.4 | Very low | 30.4 | Very low | 57 Ų | 57 | 105.7 Ų | 105.7 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | | | cis | 81.9 | 120.9 | 47.9 | -166.6 | 0 | 0 | 0 | 0 | 112.8 | N845 | N845-S2122 VanDerWaalsContact ND2-CA 3.28Å; N845-S2122 WeakPolarHBondContact ND2-CA 3.46Å; N845-S2122 VanDerWaalsContact ND2-CB 3.35Å; N845-S2122 WeakPolarHBondContact ND2-CB 3.21Å; N845-S2122 PolarHBondContact ND2-N 3.39Å; N845-S2122 VanDerWaalsContact ND2-N 3.19Å |
| 2123 | L | 30.7 | Very low | 30.8 | Very low | 102 Ų | 102 | 106.9 Ų | 106.9 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | | | trans | -174.9 | 100.4 | 149.8 | -106.8 | 177.2 | 0 | 0 | 0 | 108.6 | P1371 S1372 N1624 | P1371-L2123 HydrophobicContact CG-CD1 4.22Å; S1372-L2123 WeakPolarHBondContact CB-O 3.43Å; S1372-L2123 PolarHBondContact OG-O 3.19Å; N1624-L2123 WeakPolarHBondContact CB-O 3.41Å; N1624-L2123 PolarHBondContact N-O 3.34Å |
| 2124 | N | 30.6 | Very low | 30.9 | Very low | 79 Ų | 79 | 104.3 Ų | 104.3 | 42% | 0.422 | 57% | 0.57 | S | S | . | * | | | | 33.2 | 140.9 | 129.3 | -106.5 | -28.7 | 0 | 0 | 0 | 119.6 | S1372 N1624 | S1372-N2124 PolarHBondContact OG-O 3.41Å; N1624-N2124 VanDerWaalsContact CB-O 3.28Å; N1624-N2124 WeakPolarHBondContact CB-O 3.45Å; N1624-N2124 VanDerWaalsContact ND2-C 3.3Å; N1624-N2124 PolarHBondContact ND2-O 3.09Å |
| 2125 | S | 26.8 | Very low | 30.8 | Very low | 67 Ų | 67 | 106.4 Ų | 106.4 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | | | cis | -155.6 | 121.5 | 40.9 | -63.6 | 0 | 0 | 0 | 0 | 114.2 | N1623 N1624 | N1623-S2125 PolarHBondContact ND2-O 2.8Å; N1624-S2125 PolarHBondContact ND2-N 2.83Å |
| 2126 | H | 30.2 | Very low | 31.1 | Very low | 87 Ų | 87 | 108.4 Ų | 108.4 | 40% | 0.403 | 58% | 0.578 | S | S | . | * | | | trans | 65.9 | 153.1 | 156.9 | -59.8 | 94.9 | 0 | 0 | 0 | 121.3 | P1375 N1623 | P1375-H2126 WeakPolarHBondContact CB-O 3.2Å; P1375-H2126 WeakPolarHBondContact CG-O 2.9Å; N1623-H2126 PolarHBondContact ND2-N 3.2Å; N1623-H2126 PolarHBondContact ND2-O 2.98Å; N1623-H2126 PolarHBondContact OD1-O 2.94Å |
| 2127 | S | 29.8 | Very low | 31.3 | Very low | 27 Ų | 27 | 107.9 Ų | 107.9 | 19% | 0.189 | 58% | 0.575 | C | S | . | * | | | cis | -149.6 | 116.4 | -24.6 | -151.7 | 0 | 0 | 0 | 0 | 106.7 | P1375 N1622 | P1375-S2127 VanDerWaalsContact CB-O 3.3Å; P1375-S2127 WeakPolarHBondContact CB-O 2.89Å; P1375-S2127 VanDerWaalsContact CG-O 3.29Å; P1375-S2127 WeakPolarHBondContact CG-O 3.47Å; N1622-S2127 WeakPolarHBondContact OD1-CA 3.47Å |
| 2128 | Q | 24.5 | Very low | 31.5 | Very low | 73 Ų | 73 | 109.1 Ų | 109.1 | 34% | 0.341 | 58% | 0.579 | S | S | . | * | | | | 27.5 | 102.3 | 87.4 | -82 | -178.6 | 7.3 | 0 | 0 | 115.1 | D1621 N1622 | D1621-Q2128 VanDerWaalsContact C-NE2 3.26Å; D1621-Q2128 VanDerWaalsContact N-CD 3.3Å; D1621-Q2128 PolarHBondContact O-NE2 3.38Å; N1622-Q2128 WeakPolarHBondContact OD1-CB 3.08Å; N1622-Q2128 WeakPolarHBondContact OD1-CG 3.35Å; N1622-Q2128 PolarHBondContact OD1-N 3.14Å |
| 2129 | H | 32 | Very low | 31.7 | Very low | 93 Ų | 93 | 105.5 Ų | 105.5 | 43% | 0.431 | 57% | 0.573 | S | S | . | * | | | trans | -136.5 | 118.7 | 136.4 | -87.1 | -78.6 | 0 | 0 | 0 | 107.6 | Q852 | Q852-H2129 VanDerWaalsContact CD-CE1 3.5Š|
| 2130 | H | 31.6 | Very low | 31.7 | Very low | 156 Ų | 156 | 105.4 Ų | 105.4 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | | | | 58.1 | 102 | 98.7 | -74.6 | -88.4 | 0 | 0 | 0 | 111.8 | | |
| 2131 | A | 28 | Very low | 31.8 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 68% | 0.678 | 59% | 0.59 | S | S | * | * | | | | 64.4 | 114.3 | 50.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 2132 | L | 29.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 110.1 Ų | 110.1 | 87% | 0.869 | 59% | 0.591 | S | S | * | * | | | trans | 50.4 | 145.5 | 150.5 | -59.5 | 168.8 | 0 | 0 | 0 | 120 | | |
| 2133 | P | 37.2 | Very low | 31.3 | Very low | 119 Ų | 119 | 113.5 Ų | 113.5 | 77% | 0.773 | 60% | 0.602 | S | S | * | * | | | cis | -124.2 | -110.9 | -9.7 | 23.7 | 3.5 | 0 | 0 | 0 | 114.4 | | |
| 2134 | P | 32.3 | Very low | 31 | Very low | 102 Ų | 102 | 116.3 Ų | 116.3 | 66% | 0.662 | 62% | 0.615 | S | S | * | * | | | | -131.5 | -168.9 | -122.6 | 42.8 | -24 | 0 | 0 | 0 | 116.3 | | |
| 2135 | H | 35.8 | Very low | 30.9 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 82% | 0.815 | 63% | 0.63 | S | S | * | * | | | trans | 78 | 173.1 | 156.4 | -100.9 | -76.2 | 0 | 0 | 0 | 116.1 | | |
| 2136 | P | 37.7 | Very low | 30.9 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 66% | 0.662 | 64% | 0.642 | S | S | * | * | | | | -124.5 | -131.1 | -125.8 | 44.6 | -26.9 | 0 | 0 | 0 | 113.2 | | |
| 2137 | Q | 35.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | | | trans | 81.1 | 117.4 | -179.5 | -73.4 | -177.6 | -78.1 | 0 | 0 | 113.5 | | |
| 2138 | Q | 36.5 | Very low | 30.8 | Very low | 157 Ų | 157 | 126.8 Ų | 126.8 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | | | | 65.5 | 143.2 | 93.1 | -74.4 | -179.2 | -45.2 | 0 | 0 | 111.7 | | |
| 2139 | S | 34 | Very low | 31.2 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 50% | 0.497 | 69% | 0.686 | S | S | . | * | | | cis | 161.2 | 169.3 | -2.4 | 60.2 | 0 | 0 | 0 | 0 | 104 | | |
| 2140 | Q | 33.4 | Very low | 31.4 | Very low | 149 Ų | 149 | 130.8 Ų | 130.8 | 70% | 0.696 | 70% | 0.698 | S | S | * | * | | | trans | 72.1 | 124.1 | 163.6 | -62 | 172.2 | 94.3 | 0 | 0 | 114 | | |
| 2141 | Q | 28.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | | | | 72.1 | 107.5 | 102.2 | -63.1 | 177.3 | 34.3 | 0 | 0 | 112.1 | | |
| 2142 | M | 24.4 | Very low | 32 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | | | | 80.1 | 134.6 | 73.9 | -79.3 | -155.1 | -58.9 | 0 | 0 | 113.4 | | |
| 2143 | M | 27 | Very low | 32.2 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 63% | 0.631 | 68% | 0.684 | S | S | * | * | | | trans | 71.3 | 109.3 | 149.7 | -71.6 | -171.6 | -63.2 | 0 | 0 | 121.2 | | |
| 2144 | M | 25.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | | | | 68.3 | -169 | 129.2 | -56.9 | -166.9 | -61.5 | 0 | 0 | 117.3 | | |
| 2145 | V | 27.8 | Very low | 32.1 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | | | trans | 54.4 | 118.6 | -174.7 | -71.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 2146 | N | 28.4 | Very low | 31.6 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | | | trans | 78.5 | 139.2 | 152.8 | -57.3 | -13.3 | 0 | 0 | 0 | 117.9 | | |
| 2147 | N | 27 | Very low | 31.2 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | | | cis | -162.5 | 164.5 | -13.4 | -111.9 | -14.8 | 0 | 0 | 0 | 108.6 | | |
| 2148 | N | 29.8 | Very low | 30.8 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 57% | 0.572 | 67% | 0.674 | S | S | * | * | | | cis | -157.7 | 161.5 | 15.7 | -138.1 | -23.6 | 0 | 0 | 0 | 110 | | |
| 2149 | N | 33.2 | Very low | 30.4 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | | | trans | 60.6 | 134.2 | 146.1 | -70.2 | -27.5 | 0 | 0 | 0 | 120.3 | | |
| 2150 | N | 35.5 | Very low | 30 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 68% | 0.679 | 66% | 0.663 | S | S | * | * | | | cis | -167 | 153.3 | -7.5 | -156.8 | -19.1 | 0 | 0 | 0 | 110.5 | | |
| 2151 | S | 37.5 | Very low | 29.7 | Very low | 82 Ų | 82 | 120.5 Ų | 120.5 | 57% | 0.573 | 66% | 0.664 | S | S | * | * | | | trans | 65.1 | 152.6 | 153.4 | -64.3 | 0 | 0 | 0 | 0 | 118 | | |
| 2152 | N | 36.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | | | cis | -151.1 | 134 | -18.9 | -107.2 | -22.6 | 0 | 0 | 0 | 106.9 | | |
| 2153 | S | 33.4 | Very low | 29.9 | Very low | 100 Ų | 100 | 125.6 Ų | 125.6 | 70% | 0.699 | 67% | 0.67 | S | S | * | * | | | | 69.4 | 85.2 | 75.8 | -51 | 0 | 0 | 0 | 0 | 114.6 | | |
| 2154 | S | 36.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 77% | 0.769 | 68% | 0.677 | S | S | * | * | | | trans | -166.7 | 100.1 | 132.4 | -79.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 2155 | S | 30.8 | Very low | 30.2 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | | | | 61.6 | 98.8 | 76.7 | 77 | 0 | 0 | 0 | 0 | 111.8 | | |
| 2156 | N | 25.7 | Very low | 30.2 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 83% | 0.829 | 67% | 0.669 | S | S | * | * | | | | 55.9 | 111.5 | 90 | -71.4 | -15.6 | 0 | 0 | 0 | 113.1 | | |
| 2157 | N | 28.8 | Very low | 30.2 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | | | trans | -158 | 142.4 | 138.4 | -124.9 | -56.8 | 0 | 0 | 0 | 112.9 | | |
| 2158 | S | 27.6 | Very low | 30.4 | Very low | 59 Ų | 59 | 124.8 Ų | 124.8 | 41% | 0.413 | 68% | 0.677 | S | S | . | * | | | trans | 45.7 | 116.5 | 136.7 | -77 | 0 | 0 | 0 | 0 | 118.6 | | |
| 2159 | R | 27.2 | Very low | 30.7 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 56% | 0.558 | 68% | 0.678 | S | S | * | * | | | cis | -164.4 | 145.4 | 32.4 | -85.2 | 124.7 | 176.8 | -166 | -3.7 | 109.5 | S2026 S2027 N2028 | S2026-R2159 PolarHBondContact O-NE 3.09Å; S2026-R2159 PolarHBondContact O-NH2 2.94Å; S2027-R2159 VanDerWaalsContact C-CD 3.49Å; S2027-R2159 PolarHBondContact O-NE 3.36Å; S2027-R2159 VanDerWaalsContact O-NE 3.08Å; S2027-R2159 PolarHBondContact O-NH1 3.09Å; S2027-R2159 PolarHBondContact O-NH2 3.2Å; N2028-R2159 WeakPolarHBondContact O-CD 3.29Å; N2028-R2159 PolarHBondContact O-NE 3.37Å; N2028-R2159 PolarHBondContact O-NH1 2.78Å |
| 2160 | S | 25.9 | Very low | 30.6 | Very low | 61 Ų | 61 | 122.9 Ų | 122.9 | 43% | 0.427 | 68% | 0.681 | S | S | . | * | | | | 63.8 | 100 | 60.3 | 91.8 | 0 | 0 | 0 | 0 | 115.3 | S2027 | S2027-S2160 PolarHBondContact N-OG 2.85Š|
| 2161 | N | 26 | Very low | 30.3 | Very low | 134 Ų | 134 | 124.3 Ų | 124.3 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | | | trans | 61.1 | 134.3 | 160.2 | -54.4 | -9.9 | 0 | 0 | 0 | 118.5 | | |
| 2162 | W | 27.6 | Very low | 30 | Very low | 201 Ų | 201 | 129.4 Ų | 129.4 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | | | | 166.5 | 143.3 | 99.9 | -88.8 | 103.5 | 0 | 0 | 0 | 111.8 | N2028 | N2028-W2162 PolarHBondContact OD1-NE1 3.08Š|
| 2163 | Y | 29.9 | Very low | 29.6 | Very low | 197 Ų | 197 | 128 Ų | 128 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | | | trans | -60 | 151.4 | 165.5 | -79.3 | -104.5 | 0 | 0 | 0 | 111.1 | | |
| 2164 | P | 31.4 | Very low | 29.3 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | | | | -117 | 134.7 | 88.6 | -6.1 | 26.5 | 0 | 0 | 0 | 112.2 | | |
| 2165 | H | 27.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 130 Ų | 130 | 57% | 0.569 | 69% | 0.687 | S | S | * | * | | | | 61.3 | 114.8 | 81 | -85 | -105.9 | 0 | 0 | 0 | 113.2 | | |
| 2166 | Q | 28.8 | Very low | 29 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | | | | 54.6 | 120.8 | 95.1 | -62.8 | 178.2 | 3.4 | 0 | 0 | 111.1 | | |
| 2167 | S | 28.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 66% | 0.661 | S | S | * | * | | | cis | -168.1 | 173.9 | 37 | -164.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 2168 | T | 31.3 | Very low | 29 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 64% | 0.642 | S | S | * | * | | | cis | -163 | 168.1 | 18.2 | -34.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 2169 | G | 34.8 | Very low | 29 | Very low | 57 Ų | 57 | 124.3 Ų | 124.3 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | | | trans | 92.8 | 99.8 | 159 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 2170 | N | 32 | Very low | 29 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | | | | 67 | 96.6 | 81.3 | -67.2 | -23.3 | 0 | 0 | 0 | 112.2 | | |
| 2171 | Q | 28.1 | Very low | 29 | Very low | 157 Ų | 157 | 122.4 Ų | 122.4 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | | | | 72.6 | 112.6 | 82 | -76.2 | -175.3 | 89.2 | 0 | 0 | 113 | | |
| 2172 | M | 31.4 | Very low | 28.9 | Very low | 188 Ų | 188 | 120.8 Ų | 120.8 | 93% | 0.926 | 67% | 0.672 | S | S | * | * | | | | -158.2 | 141.3 | 99.9 | -102.8 | 172.9 | -73.2 | 0 | 0 | 111.6 | | |
| 2173 | T | 29.4 | Very low | 28.9 | Very low | 103 Ų | 103 | 116.6 Ų | 116.6 | 63% | 0.632 | 67% | 0.673 | S | S | * | * | | | trans | -115.7 | -174.1 | -179.2 | -51.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 2174 | F | 25.6 | Very low | 28.8 | Very low | 165 Ų | 165 | 113.1 Ų | 113.1 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | | | trans | 75 | 152.1 | 175.6 | -38.8 | -75.9 | 0 | 0 | 0 | 114.3 | Y1803 | Y1803-F2174 HydrophobicContact CE2-CD1 4.29Å; Y1803-F2174 WeakPolarHBondContact OH-CA 3.5Å |
| 2175 | T | 27.6 | Very low | 28.5 | Very low | 88 Ų | 88 | 113.1 Ų | 113.1 | 54% | 0.54 | 67% | 0.666 | S | S | . | * | | | cis | -136.7 | 140.2 | -5.5 | -38.2 | 0 | 0 | 0 | 0 | 107 | Y1803 M2177 | Y1803-T2175 VanDerWaalsContact CZ-CA 3.48Å; Y1803-T2175 VanDerWaalsContact OH-CA 3.25Å; Y1803-T2175 WeakPolarHBondContact OH-CA 3.14Å; Y1803-T2175 PolarHBondContact OH-N 2.92Å; T2175-M2177 HydrophobicContact CG2-CE 4.43Å; T2175-M2177 HydrophobicContact CG2-CG 4.3Å |
| 2176 | S | 34.5 | Very low | 28.4 | Very low | 42 Ų | 42 | 110.9 Ų | 110.9 | 29% | 0.294 | 67% | 0.669 | S | S | . | * | | | cis | 81.5 | 26.8 | 31.3 | -80 | 0 | 0 | 0 | 0 | 115.3 | Y1803 | Y1803-S2176 WeakPolarHBondContact CD1-OG 3.33Å; Y1803-S2176 WeakPolarHBondContact CD2-OG 3.37Å; Y1803-S2176 WeakPolarHBondContact CE1-OG 3.18Å; Y1803-S2176 WeakPolarHBondContact CE2-OG 2.94Å; Y1803-S2176 WeakPolarHBondContact OH-CB 3.21Å; Y1803-S2176 PolarHBondContact OH-N 3.25Å; Y1803-S2176 PolarHBondContact OH-OG 3.33Å |
| 2177 | M | 26.1 | Very low | 28.3 | Very low | 131 Ų | 131 | 107.2 Ų | 107.2 | 65% | 0.645 | 66% | 0.662 | S | S | * | * | | | trans | -132.8 | 123 | 158.5 | -64.8 | -179.1 | -71.6 | 0 | 0 | 107.9 | T2175 | T2175-M2177 HydrophobicContact CG2-CE 4.43Å; T2175-M2177 HydrophobicContact CG2-CG 4.3Å |
| 2178 | S | 28 | Very low | 28.2 | Very low | 54 Ų | 54 | 109.1 Ų | 109.1 | 38% | 0.378 | 65% | 0.653 | S | S | . | * | | | cis | 84.8 | 119 | 48.3 | -56.8 | 0 | 0 | 0 | 0 | 114.2 | S1804 | S1804-S2178 PolarHBondContact O-OG 2.7Å; S1804-S2178 PolarHBondContact OG-OG 3.04Å |
| 2179 | S | 27.5 | Very low | 28 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | | | trans | 54.8 | 102.4 | 159.5 | 56.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2180 | S | 26.1 | Very low | 27.6 | Very low | 113 Ų | 113 | 108.8 Ų | 108.8 | 79% | 0.79 | 63% | 0.629 | S | S | * | * | | | trans | -172.6 | 116.9 | 142.1 | -74.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 2181 | S | 26 | Very low | 27.4 | Very low | 57 Ų | 57 | 110.8 Ų | 110.8 | 40% | 0.399 | 63% | 0.627 | S | S | . | * | | | | 61.4 | 75.1 | 56.3 | 80.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 2182 | A | 24.6 | Very low | 27.4 | Very low | 99 Ų | 99 | 107 Ų | 107 | 82% | 0.818 | 62% | 0.618 | S | S | * | * | | | trans | -154.8 | 130.4 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 2183 | S | 28.3 | Very low | 27.3 | Very low | 113 Ų | 113 | 100.9 Ų | 100.9 | 79% | 0.79 | 60% | 0.604 | S | S | * | * | | | trans | -128.1 | 87.7 | 175.9 | 59.5 | 0 | 0 | 0 | 0 | 111 | | |
| 2184 | T | 26.1 | Very low | 27.2 | Very low | 125 Ų | 125 | 103.8 Ų | 103.8 | 77% | 0.767 | 61% | 0.61 | S | S | * | * | | | trans | -154 | 118.6 | 174.9 | 40.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 2185 | N | 25 | Very low | 27.4 | Very low | 120 Ų | 120 | 101.9 Ų | 101.9 | 64% | 0.642 | 61% | 0.605 | S | S | * | * | | | cis | 66 | 123.8 | 45.1 | -159.5 | 27.9 | 0 | 0 | 0 | 114 | Q669 | Q669-N2185 PolarHBondContact NE2-ND2 2.69Š|
| 2186 | A | 25.7 | Very low | 27.7 | Very low | 77 Ų | 77 | 104.7 Ų | 104.7 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | | | trans | 63.8 | 102.3 | 167 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2187 | S | 26.6 | Very low | 27.6 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 63% | 0.629 | 63% | 0.625 | S | S | * | * | | | | 76.7 | 161.6 | 128.2 | -66 | 0 | 0 | 0 | 0 | 122.3 | | |
| 2188 | R | 27.7 | Very low | 27.8 | Very low | 144 Ų | 144 | 105.9 Ų | 105.9 | 54% | 0.543 | 62% | 0.62 | S | S | . | * | | | trans | 90.1 | 96.9 | 142.4 | -95 | -159.2 | 160.7 | 177 | 5.5 | 120.7 | T1435 | T1435-R2188 PolarHBondContact OG1-NH2 3.3Š|
| 2189 | E | 27.9 | Very low | 27.9 | Very low | 67 Ų | 67 | 109.5 Ų | 109.5 | 31% | 0.313 | 64% | 0.636 | S | S | . | * | | | trans | 75.6 | 167.4 | 134.3 | -14.5 | -160.4 | 177.6 | 0 | 0 | 119.7 | S1433 L1434 | S1433-E2189 WeakPolarHBondContact CA-OE2 3.34Å; S1433-E2189 VanDerWaalsContact CB-OE2 3.25Å; S1433-E2189 WeakPolarHBondContact CB-OE2 3.07Å; S1433-E2189 PolarHBondContact OG-OE2 2.8Å; L1434-E2189 VanDerWaalsContact CA-OE1 3.24Å; L1434-E2189 WeakPolarHBondContact CA-OE1 3.1Å; L1434-E2189 WeakPolarHBondContact CD2-OE1 3.44Å; L1434-E2189 PolarHBondContact N-OE1 2.76Å; L1434-E2189 PolarHBondContact N-OE2 3.44Å |
| 2190 | M | 25.4 | Very low | 27.9 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 56% | 0.557 | 63% | 0.634 | S | S | * | * | | | cis | -148.3 | -176.8 | 10.1 | -140.9 | -162.9 | -60.6 | 0 | 0 | 113.4 | S1433 | S1433-M2190 WeakPolarHBondContact OG-CG 3.23Š|
| 2191 | Y | 27.2 | Very low | 28.1 | Very low | 176 Ų | 176 | 108.8 Ų | 108.8 | 69% | 0.69 | 62% | 0.62 | S | S | * | * | | | trans | 65.9 | 90.7 | 165.2 | -79.6 | -74.5 | 0 | 0 | 0 | 121.4 | | |
| 2192 | S | 28.3 | Very low | 28.1 | Very low | 78 Ų | 78 | 112.9 Ų | 112.9 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | | | | 67.4 | 157.2 | 103.8 | -160.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2193 | G | 28.8 | Very low | 28.2 | Very low | 60 Ų | 60 | 114.4 Ų | 114.4 | 62% | 0.619 | 63% | 0.632 | S | S | * | * | | | trans | -177.3 | -13.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 2194 | Q | 28.6 | Very low | 28.3 | Very low | 163 Ų | 163 | 113.9 Ų | 113.9 | 76% | 0.762 | 63% | 0.625 | S | S | * | * | | | trans | 64.2 | 159 | 179.4 | -62.6 | -171 | -45.3 | 0 | 0 | 114.9 | | |
| 2195 | M | 30.2 | Very low | 28.2 | Very low | 125 Ų | 125 | 114.7 Ų | 114.7 | 62% | 0.616 | 62% | 0.624 | S | S | * | * | | | cis | -162.8 | 162.8 | -16.8 | -114.4 | -173.9 | -37.6 | 0 | 0 | 110.3 | | |
| 2196 | H | 33.8 | Very low | 28.3 | Very low | 147 Ų | 147 | 117 Ų | 117 | 68% | 0.681 | 63% | 0.629 | S | S | * | * | | | trans | 70.2 | 138.5 | 149.1 | -81.5 | 55.9 | 0 | 0 | 0 | 118.2 | | |
| 2197 | N | 31.3 | Very low | 28.3 | Very low | 110 Ų | 110 | 118 Ų | 118 | 59% | 0.588 | 63% | 0.631 | S | S | * | * | | | cis | -156.5 | 147.3 | -9.3 | -138.8 | 22.5 | 0 | 0 | 0 | 116.1 | | |
| 2198 | T | 30.8 | Very low | 28.2 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 54% | 0.54 | 64% | 0.635 | S | S | . | * | | | trans | 48.8 | 128.1 | 140.1 | 51.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 2199 | N | 29.1 | Very low | 28.2 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | | | | 75.2 | 149.7 | 127.3 | -62.2 | 8.9 | 0 | 0 | 0 | 117.5 | | |
| 2200 | N | 29.4 | Very low | 28.2 | Very low | 130 Ų | 130 | 123.8 Ų | 123.8 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | | | cis | -163.5 | 161.9 | -11.6 | -110.6 | 4 | 0 | 0 | 0 | 105.5 | | |
| 2201 | S | 28.6 | Very low | 28.8 | Very low | 72 Ų | 72 | 126 Ų | 126 | 50% | 0.503 | 69% | 0.685 | S | S | . | * | | | cis | -170.3 | 161.9 | -1 | -129.8 | 0 | 0 | 0 | 0 | 106.3 | | |
| 2202 | N | 27.6 | Very low | 29.6 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 69% | 0.688 | S | S | * | * | | | trans | 65.6 | 156.7 | 144.1 | -63.2 | 6 | 0 | 0 | 0 | 118.2 | | |
| 2203 | N | 26.6 | Very low | 29.8 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | | | cis | -162.4 | -163.8 | -35.2 | -154 | -20.7 | 0 | 0 | 0 | 105.6 | | |
| 2204 | T | 29.3 | Very low | 29.9 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 63% | 0.626 | 70% | 0.701 | S | S | * | * | | | trans | 53.4 | 100.5 | 156.4 | 47.6 | 0 | 0 | 0 | 0 | 116.1 | | |
| 2205 | N | 25.2 | Very low | 29.9 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | | | cis | 58.2 | 154.3 | 39.1 | -146.6 | -4.2 | 0 | 0 | 0 | 112.6 | | |
| 2206 | F | 26.4 | Very low | 29.8 | Very low | 170 Ų | 170 | 123.5 Ų | 123.5 | 75% | 0.746 | 71% | 0.709 | S | S | * | * | | | trans | 75 | 118.8 | -155.3 | -56.1 | -78.6 | 0 | 0 | 0 | 112.4 | | |
| 2207 | S | 24.7 | Very low | 29.6 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | | | cis | 84.3 | 153.4 | 21.5 | -42.5 | 0 | 0 | 0 | 0 | 116 | | |
| 2208 | L | 25 | Very low | 29.7 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 71% | 0.712 | 73% | 0.726 | S | S | * | * | | | trans | 87.4 | 106 | 169.1 | -58.4 | 167.6 | 0 | 0 | 0 | 118.3 | | |
| 2209 | N | 28.9 | Very low | 30 | Very low | 143 Ų | 143 | 128.6 Ų | 128.6 | 77% | 0.765 | 74% | 0.739 | S | S | * | * | | | | 36.4 | 125.9 | 118.7 | -53.3 | -6.9 | 0 | 0 | 0 | 119.3 | | |
| 2210 | T | 27.3 | Very low | 30 | Very low | 145 Ų | 145 | 125.8 Ų | 125.8 | 89% | 0.89 | 73% | 0.73 | S | S | * | * | | | | -155.1 | 135.3 | 128.7 | -7.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 2211 | L | 37.5 | Very low | 30 | Very low | 158 Ų | 158 | 126 Ų | 126 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | | | trans | -83.7 | -173.4 | 161 | -68.2 | 160.9 | 0 | 0 | 0 | 108.6 | | |
| 2212 | P | 43.5 | Very low | 30.2 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | | | cis | -116.1 | -115.8 | -6.1 | 25.3 | 1.8 | 0 | 0 | 0 | 108.4 | | |
| 2213 | P | 33.5 | Very low | 30.2 | Very low | 105 Ų | 105 | 125.5 Ų | 125.5 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | | | cis | -133.7 | 139.5 | -26.3 | 36.4 | -16.4 | 0 | 0 | 0 | 118.2 | | |
| 2214 | V | 30.7 | Very low | 30.4 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 76% | 0.758 | 74% | 0.739 | S | S | * | * | | | | 35.5 | 145 | 125.6 | -159.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 2215 | T | 27.7 | Very low | 30.4 | Very low | 141 Ų | 141 | 125 Ų | 125 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | 89 | 135.3 | 171.6 | 73.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 2216 | G | 28.3 | Very low | 30.7 | Very low | 67 Ų | 67 | 123.5 Ų | 123.5 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | cis | 177.5 | 177.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 2217 | N | 29.3 | Very low | 30.9 | Very low | 160 Ų | 160 | 122.1 Ų | 122.1 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | | | trans | 74.9 | 102.8 | 164.2 | -58.8 | -9.3 | 0 | 0 | 0 | 120.5 | | |
| 2218 | H | 34.2 | Very low | 31 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | | | | -16.4 | 152.5 | 128.6 | -59.5 | -79.2 | 0 | 0 | 0 | 116.8 | | |
| 2219 | P | 37.3 | Very low | 31.3 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | | | | -104.7 | 140.9 | 60.9 | -7.1 | 27.2 | 0 | 0 | 0 | 112.5 | | |
| 2220 | S | 29.3 | Very low | 31.4 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 50% | 0.503 | 73% | 0.729 | S | S | . | * | | | cis | 98.1 | 155.5 | 31.2 | 77 | 0 | 0 | 0 | 0 | 114.8 | | |
| 2221 | D | 29.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 70% | 0.704 | S | S | * | * | | | trans | 75.1 | 123 | 164.9 | -49.1 | -51.2 | 0 | 0 | 0 | 118.1 | | |
| 2222 | T | 31.6 | Very low | 31 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 69% | 0.693 | 69% | 0.687 | S | S | * | * | | | cis | -152.5 | 142.3 | -10.2 | 20.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 2223 | S | 29.4 | Very low | 30.5 | Very low | 92 Ų | 92 | 112.6 Ų | 112.6 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | | | | 64.2 | 136 | 62.6 | 110.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2224 | L | 30.5 | Very low | 30.2 | Very low | 153 Ų | 153 | 113.7 Ų | 113.7 | 80% | 0.801 | 69% | 0.685 | S | S | * | * | | | cis | -133.9 | 164.3 | -2.5 | -56.8 | 94.5 | 0 | 0 | 0 | 107.9 | | |
| 2225 | G | 29.6 | Very low | 30.1 | Very low | 70 Ų | 70 | 113.7 Ų | 113.7 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | | | cis | 127.4 | -168.5 | 6.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 2226 | T | 31.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 113.8 Ų | 113.8 | 67% | 0.669 | 68% | 0.676 | S | S | * | * | | | trans | 79.4 | 95.2 | 154.6 | -47 | 0 | 0 | 0 | 0 | 119.5 | | |
| 2227 | I | 29.4 | Very low | 30.1 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 72% | 0.723 | 68% | 0.676 | S | S | * | * | | | trans | 60.9 | 122.7 | 138.5 | -51.8 | 170.9 | 0 | 0 | 0 | 117.9 | M2229 | I2227-M2229 HydrophobicContact CG2-CE 4.01Š|
| 2228 | G | 28.3 | Very low | 30 | Very low | 67 Ų | 67 | 112.7 Ų | 112.7 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | | | cis | 117.8 | -176.7 | -1.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 2229 | M | 30.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 107.3 Ų | 107.3 | 77% | 0.768 | 66% | 0.66 | S | S | * | * | | | trans | 72.5 | 115.4 | 177.6 | -76.5 | -172.6 | -67.9 | 0 | 0 | 114.8 | I2227 | I2227-M2229 HydrophobicContact CG2-CE 4.01Š|
| 2230 | V | 32 | Very low | 29.2 | Very low | 82 Ų | 82 | 105.1 Ų | 105.1 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | | | | 78.9 | 128.4 | 85.2 | 154.9 | 0 | 0 | 0 | 0 | 108.3 | G705 T706 S707 | G705-V2230 CarbonylContact O-C 3.35Å; T706-V2230 CarbonylContact C-O 3.15Å; S707-V2230 PolarHBondContact N-O 2.71Å |
| 2231 | D | 28 | Very low | 29 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 35% | 0.353 | 64% | 0.641 | S | S | . | * | | | cis | -174.6 | -175.3 | 20 | -149.7 | -9.1 | 0 | 0 | 0 | 115.3 | G705 T706 S707 | G705-D2231 VanDerWaalsContact CA-CB 3.44Å; G705-D2231 PolarHBondContact N-OD2 2.88Å; G705-D2231 VanDerWaalsContact N-OD2 3.08Å; G705-D2231 PolarHBondContact O-N 3.4Å; T706-D2231 VanDerWaalsContact C-N 3.27Å; T706-D2231 CarbonylContact C-O 2.83Å; T706-D2231 WeakPolarHBondContact CA-O 3.33Å; T706-D2231 PolarHBondContact N-O 3.39Å; S707-D2231 PolarHBondContact N-O 2.96Å |
| 2232 | N | 28.8 | Very low | 28.8 | Very low | 89 Ų | 89 | 104.3 Ų | 104.3 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | | | trans | 53.2 | 117.9 | 143.1 | -94.1 | -61.4 | 0 | 0 | 0 | 120.7 | | |
| 2233 | N | 31.1 | Very low | 28.6 | Very low | 131 Ų | 131 | 104.4 Ų | 104.4 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | | | | 37.4 | 141.3 | 107.3 | -56.8 | -39.4 | 0 | 0 | 0 | 118.5 | | |
| 2234 | N | 28.3 | Very low | 28.5 | Very low | 127 Ų | 127 | 107.4 Ų | 107.4 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | | | | -167.2 | 170.4 | 58.5 | -126.5 | -31.1 | 0 | 0 | 0 | 113.7 | | |
| 2235 | N | 28.7 | Very low | 28.4 | Very low | 125 Ų | 125 | 108.9 Ų | 108.9 | 67% | 0.668 | 62% | 0.618 | S | S | * | * | | | trans | 9.5 | 147.4 | 139.8 | -60.9 | -20.5 | 0 | 0 | 0 | 118.9 | | |
| 2236 | N | 27.5 | Very low | 28.3 | Very low | 143 Ų | 143 | 111.7 Ų | 111.7 | 77% | 0.765 | 61% | 0.613 | S | S | * | * | | | cis | -168.2 | 144.2 | 40.7 | -142.1 | -3.4 | 0 | 0 | 0 | 114.5 | | |
| 2237 | S | 28.1 | Very low | 28.1 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 68% | 0.678 | 61% | 0.606 | S | S | * | * | | | trans | 45 | 155.3 | 130.7 | -163.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 2238 | S | 27.9 | Very low | 28 | Very low | 108 Ų | 108 | 110.6 Ų | 110.6 | 76% | 0.755 | 61% | 0.605 | S | S | * | * | | | trans | 85.7 | 101.5 | 149.3 | 73.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 2239 | G | 27.7 | Very low | 28 | Very low | 53 Ų | 53 | 113 Ų | 113 | 55% | 0.546 | 60% | 0.602 | S | S | . | * | | | trans | 128.5 | 144.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 2240 | N | 26.1 | Very low | 27.9 | Very low | 78 Ų | 78 | 110.1 Ų | 110.1 | 42% | 0.417 | 59% | 0.594 | S | S | . | * | | | cis | -168.2 | 149.4 | 7.9 | -106.5 | -21.3 | 0 | 0 | 0 | 111.3 | T1876 G1877 F1878 | T1876-N2240 CarbonylContact C-O 3.59Å; T1876-N2240 WeakPolarHBondContact CA-O 3.43Å; G1877-N2240 VanDerWaalsContact N-C 3.28Å; G1877-N2240 PolarHBondContact N-O 2.84Å; G1877-N2240 VanDerWaalsContact N-O 3.09Å; F1878-N2240 WeakPolarHBondContact CA-OD1 3.49Å; F1878-N2240 HydrophobicContact CB-CB 4.49Å; F1878-N2240 WeakPolarHBondContact CD1-OD1 3.38Å; F1878-N2240 VanDerWaalsContact CD2-CA 3.49Å; F1878-N2240 HydrophobicContact CD2-CB 4.34Å; F1878-N2240 VanDerWaalsContact CD2-OD1 3.24Å; F1878-N2240 WeakPolarHBondContact CD2-OD1 3.49Å; F1878-N2240 HydrophobicContact CG-CB 4.38Å; F1878-N2240 WeakPolarHBondContact CG-OD1 3.18Å; F1878-N2240 PolarHBondContact O-ND2 3.29Å; F1878-N2240 PolarHBondContact O-OD1 2.94Å |
| 2241 | R | 26.3 | Very low | 27.8 | Very low | 130 Ų | 130 | 116 Ų | 116 | 49% | 0.491 | 61% | 0.608 | S | S | . | * | | | trans | -74.6 | 150.4 | 179.9 | -47.2 | 154.8 | -141.5 | 142 | 7.3 | 115 | T1876 G1877 F1878 K1879 S1880 | T1876-R2241 VanDerWaalsContact C-C 3.5Å; T1876-R2241 CarbonylContact C-O 2.89Å; G1877-R2241 CarbonylContact C-O 3.52Å; G1877-R2241 WeakPolarHBondContact CA-O 3.48Å; G1877-R2241 PolarHBondContact N-O 2.9Å; F1878-R2241 HydrophobicContact CB-CB 3.63Å; F1878-R2241 HydrophobicContact CB-CG 3.51Å; F1878-R2241 VanDerWaalsContact CB-N 3.28Å; F1878-R2241 HydrophobicContact CD2-CB 4.36Å; F1878-R2241 HydrophobicContact CD2-CG 3.76Å; F1878-R2241 VanDerWaalsContact CD2-N 3.3Å; F1878-R2241 HydrophobicContact CG-CB 4.5Å; F1878-R2241 HydrophobicContact CG-CG 4.02Å; F1878-R2241 PolarHBondContact N-O 3.13Å; K1879-R2241 PolarHBondContact O-NH1 3.44Å; K1879-R2241 PolarHBondContact O-NH2 3.3Å; S1880-R2241 PolarHBondContact O-NH2 2.82Å |
| 2242 | S | 25.1 | Very low | 27.8 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 42% | 0.42 | 62% | 0.621 | S | S | . | * | | | trans | 46.8 | 133.2 | 139.5 | 69.8 | 0 | 0 | 0 | 0 | 121.7 | E1875 | E1875-S2242 CarbonylContact O-C 3.55Å; E1875-S2242 VanDerWaalsContact O-C 3.28Å; E1875-S2242 WeakPolarHBondContact O-CA 3.1Å; E1875-S2242 PolarHBondContact O-N 3.48Å |
| 2243 | I | 26.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 120 Ų | 120 | 60% | 0.595 | 63% | 0.63 | S | S | * | * | | | | 177.1 | 129.4 | 105.2 | -92.1 | 156.2 | 0 | 0 | 0 | 111.9 | E1875 | E1875-I2243 PolarHBondContact O-N 2.74Š|
| 2244 | F | 26.5 | Very low | 27.6 | Very low | 154 Ų | 154 | 115.4 Ų | 115.4 | 68% | 0.675 | 61% | 0.608 | S | S | * | * | | | trans | 17.9 | 137.7 | 148.4 | -56.8 | -119.6 | 0 | 0 | 0 | 118.3 | | |
| 2245 | R | 28.1 | Very low | 27.7 | Very low | 185 Ų | 185 | 115.2 Ų | 115.2 | 70% | 0.698 | 61% | 0.606 | S | S | * | * | | | | -168.4 | 140 | 65.8 | -88.2 | -177.9 | 175.4 | -100.5 | -4.1 | 113.2 | | |
| 2246 | Q | 28.3 | Very low | 28.1 | Very low | 128 Ų | 128 | 112.1 Ų | 112.1 | 60% | 0.598 | 59% | 0.593 | S | S | * | * | | | trans | 60.3 | 144.1 | 133.1 | -65.5 | -177.7 | -86.4 | 0 | 0 | 120.3 | | |
| 2247 | S | 27.6 | Very low | 28.1 | Very low | 77 Ų | 77 | 110.4 Ų | 110.4 | 54% | 0.538 | 58% | 0.583 | S | S | . | * | | | cis | -172 | 147.2 | -10.6 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 2248 | Q | 28 | Very low | 28.1 | Very low | 150 Ų | 150 | 109.6 Ų | 109.6 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | | | trans | 71.4 | 118.3 | 134.5 | -75.2 | -179.5 | -99.8 | 0 | 0 | 120.6 | | |
| 2249 | D | 27.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 109.8 Ų | 109.8 | 63% | 0.631 | 58% | 0.579 | S | S | * | * | | | | 101.4 | 82.3 | 112.8 | -64.6 | 3.4 | 0 | 0 | 0 | 121.8 | | |
| 2250 | T | 28.5 | Very low | 28.1 | Very low | 96 Ų | 96 | 115.1 Ų | 115.1 | 59% | 0.589 | 59% | 0.591 | S | S | * | * | | | | 74.8 | 152.1 | 114 | 17.5 | 0 | 0 | 0 | 0 | 123.2 | | |
| 2251 | Y | 29 | Very low | 28.1 | Very low | 204 Ų | 204 | 116.2 Ų | 116.2 | 80% | 0.8 | 61% | 0.605 | S | S | * | * | | | trans | 67.5 | 145.4 | 153.8 | -60.9 | -49 | 0 | 0 | 0 | 117.7 | | |
| 2252 | D | 28.1 | Very low | 28.2 | Very low | 115 Ų | 115 | 115 Ų | 115 | 62% | 0.615 | 62% | 0.616 | S | S | * | * | | | cis | 168.7 | 167.4 | -23.3 | -144.4 | -22.3 | 0 | 0 | 0 | 105.1 | | |
| 2253 | N | 29.1 | Very low | 28.3 | Very low | 124 Ų | 124 | 117.1 Ų | 117.1 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | | | trans | 63.6 | 145.6 | 145 | -74 | -48.6 | 0 | 0 | 0 | 122.7 | | |
| 2254 | S | 27.8 | Very low | 28.4 | Very low | 36 Ų | 36 | 116.3 Ų | 116.3 | 25% | 0.252 | 64% | 0.636 | S | S | . | * | | | cis | -174.6 | 120 | -26.1 | 38.9 | 0 | 0 | 0 | 0 | 114.5 | K440 C441 | K440-S2254 CarbonylContact C-O 3.53Å; K440-S2254 VanDerWaalsContact CA-O 3.31Å; K440-S2254 WeakPolarHBondContact CA-O 3.37Å; C441-S2254 CarbonylContact C-O 3.27Å; C441-S2254 PolarHBondContact N-O 3.01Å; C441-S2254 CarbonylContact O-C 3.28Å; C441-S2254 WeakPolarHBondContact O-CA 3.3Å; C441-S2254 PolarHBondContact O-N 3.08Å; C441-S2254 VanDerWaalsContact O-N 3.08Å |
| 2255 | L | 29.6 | Very low | 28.5 | Very low | 122 Ų | 122 | 114.7 Ų | 114.7 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | | | trans | 62 | -176.1 | 139.4 | -50.4 | 169.6 | 0 | 0 | 0 | 116.3 | C441 E442 | C441-L2255 CarbonylContact C-O 2.96Å; C441-L2255 WeakPolarHBondContact CA-O 3.46Å; C441-L2255 PolarHBondContact O-N 3.48Å; E442-L2255 VanDerWaalsContact CA-O 3.24Å; E442-L2255 WeakPolarHBondContact CA-O 3.19Å; E442-L2255 PolarHBondContact N-O 3.47Å |
| 2256 | P | 36.9 | Very low | 28.6 | Very low | 61 Ų | 61 | 111.7 Ų | 111.7 | 40% | 0.396 | 64% | 0.641 | S | S | . | * | | | | -110.4 | 179.7 | -100.6 | 25.4 | -4.2 | 0 | 0 | 0 | 112.2 | K440 E442 | K440-P2256 VanDerWaalsContact CD-O 3.31Å; K440-P2256 WeakPolarHBondContact CD-O 3.25Å; K440-P2256 WeakPolarHBondContact CE-O 3.17Å; K440-P2256 PolarHBondContact NZ-O 3.23Å; E442-P2256 VanDerWaalsContact CG-CA 3.47Å |
| 2257 | I | 28.4 | Very low | 28.6 | Very low | 106 Ų | 106 | 110.8 Ų | 110.8 | 54% | 0.544 | 65% | 0.649 | S | S | . | * | | | trans | 133.6 | 77.3 | 138.1 | -59.1 | -159.1 | 0 | 0 | 0 | 114.2 | K440 E442 | K440-I2257 VanDerWaalsContact NZ-CD1 3.33Å; K440-I2257 VanDerWaalsContact NZ-CG1 3.26Å; E442-I2257 PolarHBondContact OE1-N 2.97Å |
| 2258 | S | 27.5 | Very low | 28.8 | Very low | 81 Ų | 81 | 112.3 Ų | 112.3 | 57% | 0.566 | 66% | 0.66 | S | S | * | * | | | | 73.1 | 146.4 | 102.1 | -55.9 | 0 | 0 | 0 | 0 | 120.8 | E442 | E442-S2258 PolarHBondContact OE1-N 2.96Š|
| 2259 | S | 27.5 | Very low | 28.9 | Very low | 112 Ų | 112 | 111.2 Ų | 111.2 | 78% | 0.783 | 66% | 0.664 | S | S | * | * | | | trans | 76.7 | 150 | 149.4 | 81.8 | 0 | 0 | 0 | 0 | 116 | | |
| 2260 | M | 27.2 | Very low | 29 | Very low | 164 Ų | 164 | 112.5 Ų | 112.5 | 81% | 0.808 | 67% | 0.666 | S | S | * | * | | | cis | -133 | 158 | 18.2 | -61.5 | 176.8 | 70.4 | 0 | 0 | 113.8 | | |
| 2261 | S | 26.4 | Very low | 29.4 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | | | trans | 24.2 | 128.5 | 140.4 | -48.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 2262 | S | 28.6 | Very low | 29.6 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | | | | 170.8 | 164.3 | 63.9 | 40.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 2263 | S | 28.3 | Very low | 29.7 | Very low | 106 Ų | 106 | 113.5 Ų | 113.5 | 74% | 0.741 | 68% | 0.679 | S | S | * | * | | | trans | 42.4 | 137.6 | 152.5 | 48.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2264 | S | 28.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 112.9 Ų | 112.9 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | | | cis | -176.5 | 167.6 | 8.8 | 40.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 2265 | T | 27.5 | Very low | 29.8 | Very low | 121 Ų | 121 | 116.2 Ų | 116.2 | 74% | 0.742 | 71% | 0.708 | S | S | * | * | | | trans | 21.8 | 129.3 | 146.7 | 62.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 2266 | T | 30.1 | Very low | 30 | Very low | 121 Ų | 121 | 116 Ų | 116 | 74% | 0.742 | 71% | 0.711 | S | S | * | * | | | | -165 | 148.2 | 52.3 | 46.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2267 | S | 28.3 | Very low | 30 | Very low | 109 Ų | 109 | 118.3 Ų | 118.3 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | 17.1 | 126.6 | 148 | 62.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 2268 | S | 31.9 | Very low | 30.1 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | | | | -169.2 | 101 | 120.8 | 61.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 2269 | T | 30.3 | Very low | 30.2 | Very low | 127 Ų | 127 | 120.9 Ų | 120.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | | | trans | 23.3 | 129.3 | 141.7 | 50 | 0 | 0 | 0 | 0 | 123.6 | | |
| 2270 | Q | 30.1 | Very low | 30.4 | Very low | 146 Ų | 146 | 121.4 Ų | 121.4 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | trans | 81.3 | 154.8 | 133.3 | -69.5 | -65.7 | -55 | 0 | 0 | 118.5 | | |
| 2271 | P | 36.6 | Very low | 30.6 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 58% | 0.578 | 74% | 0.735 | S | S | * | * | | | | -132.4 | -173.5 | -124.2 | 45.7 | -31.9 | 0 | 0 | 0 | 114.7 | | |
| 2272 | Y | 33 | Very low | 30.8 | Very low | 237 Ų | 237 | 120 Ų | 120 | 93% | 0.929 | 74% | 0.737 | S | S | * | * | | | trans | -143.4 | 153.1 | 154.1 | -110.4 | -82 | 0 | 0 | 0 | 112.5 | | |
| 2273 | S | 29.2 | Very low | 31 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | trans | -128.1 | 134.2 | -175 | -51.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 2274 | S | 31.2 | Very low | 31.2 | Very low | 111 Ų | 111 | 122.1 Ų | 122.1 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | | | trans | -160.9 | 148.6 | 150.1 | 68.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 2275 | S | 28.3 | Very low | 31.4 | Very low | 107 Ų | 107 | 124 Ų | 124 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | | | | 51.9 | 126.4 | 60.3 | -91.4 | 0 | 0 | 0 | 0 | 111.4 | | |
| 2276 | V | 33.8 | Very low | 31.7 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | | | cis | -143.7 | 145.4 | 14.1 | -175.9 | 0 | 0 | 0 | 0 | 105.5 | | |
| 2277 | V | 37.8 | Very low | 31.9 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 66% | 0.661 | 74% | 0.741 | S | S | * | * | | | | -148.6 | 0 | 58.6 | -171.7 | 0 | 0 | 0 | 0 | 112.6 | S453 S454 | S453-V2277 WeakPolarHBondContact CA-O 3.28Å; S453-V2277 WeakPolarHBondContact OG-CB 3.2Å; S454-V2277 PolarHBondContact N-O 2.97Å; S454-V2277 PolarHBondContact OG-O 3.49Å; S454-V2277 VanDerWaalsContact OG-O 3.08Å; S454-V2277 PolarHBondContact OG-OXT 2.59Å |