| 1 | M | 29.2 | Very low | 67.4 | Low | 202 Ų | 202 | 63.4 Ų | 63.4 | 100% | 0.995 | 31% | 0.311 | S | S | * | . | | | | 0 | 130.8 | 0 | -84.4 | -60.2 | 178.7 | 0 | 0 | 108.8 | | |
| 2 | P | 33.7 | Very low | 69.4 | Low | 64 Ų | 64 | 65.9 Ų | 65.9 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | | | trans | -58 | 144.2 | 171 | -26.1 | 36.4 | 0 | 0 | 0 | 113.1 | K4 V58 | P2-K4 PolarHBondContact O-N 3.3Å; P2-V58 HydrophobicContact CB-CB 4.15Å; P2-V58 HydrophobicContact CB-CG1 3.73Å; P2-V58 HydrophobicContact CB-CG2 3.88Å; P2-V58 HydrophobicContact CG-CB 4.38Å; P2-V58 HydrophobicContact CG-CG1 3.74Å; P2-V58 HydrophobicContact CG-CG2 3.85Å |
| 3 | S | 50.1 | Low | 70.9 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 15% | 0.147 | 29% | 0.292 | C | S | . | . | | | trans | -77 | 43.7 | 172 | -56.7 | 0 | 0 | 0 | 0 | 112.4 | L59 A61 | S3-L59 WeakPolarHBondContact CB-O 3.47Å; S3-A61 PolarHBondContact OG-N 3.22Å |
| 4 | K | 57.7 | Low | 72 | Confident | 75 Ų | 75 | 64.8 Ų | 64.8 | 33% | 0.326 | 30% | 0.303 | S | S | . | . | | | trans | -64.1 | 137.7 | 174.9 | -154.8 | -175.9 | -161.9 | -169.9 | 0 | 108.8 | P2 R6 N1616 Y1617 | P2-K4 PolarHBondContact O-N 3.3Å; K4-R6 PolarHBondContact O-N 2.86Å; K4-N1616 PolarHBondContact NZ-OD1 3.39Å; K4-N1616 VanDerWaalsContact NZ-OD1 3.13Å; K4-Y1617 HydrophobicContact CD-CE2 4.23Å |
| 5 | I | 68.5 | Low | 73.1 | Confident | 12 Ų | 12 | 63.3 Ų | 63.3 | 6% | 0.062 | 29% | 0.293 | C | S | . | . | | | trans | -60.6 | 106.8 | 175.3 | -67.6 | -175.1 | 0 | 0 | 0 | 108.5 | I7 S29 Y41 Y52 Y1617 | I5-I7 HydrophobicContact CG2-CG1 4.2Å; I5-I7 PolarHBondContact O-N 3.38Å; I5-S29 VanDerWaalsContact CG2-CB 3.41Å; I5-Y41 HydrophobicContact CD1-CE1 4.41Å; I5-Y52 HydrophobicContact CD1-CD1 3.59Å; I5-Y52 HydrophobicContact CD1-CD2 4.1Å; I5-Y52 HydrophobicContact CD1-CE1 3.33Å; I5-Y52 HydrophobicContact CD1-CE2 3.83Å; I5-Y52 HydrophobicContact CD1-CG 3.96Å; I5-Y52 VanDerWaalsContact CD1-CZ 3.43Å; I5-Y52 HydrophobicContact CG1-CD1 4.4Å; I5-Y52 HydrophobicContact CG1-CE1 4.39Å; I5-Y1617 PolarHBondContact O-OH 3.35Å |
| 6 | R | 73.4 | Confident | 73.7 | Confident | 170 Ų | 170 | 66.2 Ų | 66.2 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | | | trans | -82.7 | 94.4 | 175.9 | -87 | -171.8 | -78.7 | -163.9 | -2.9 | 109 | K4 S29 L30 | K4-R6 PolarHBondContact O-N 2.86Å; R6-S29 CarbonylContact O-C 3.34Å; R6-S29 WeakPolarHBondContact O-CA 3.42Å; R6-S29 VanDerWaalsContact O-CB 3.28Å; R6-S29 WeakPolarHBondContact O-CB 3.42Å; R6-L30 HydrophobicContact CB-CB 4.49Å; R6-L30 PolarHBondContact O-N 3.29Å |
| 7 | I | 81.3 | Confident | 74 | Confident | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 145.4 | 173.6 | -60.8 | -178 | 0 | 0 | 0 | 108.7 | I5 E10 V27 | I5-I7 HydrophobicContact CG2-CG1 4.2Å; I5-I7 PolarHBondContact O-N 3.38Å; I7-E10 WeakPolarHBondContact CD1-OE2 3.01Å; I7-E10 HydrophobicContact CG2-CB 3.97Å; I7-E10 HydrophobicContact CG2-CG 3.94Å; I7-V27 HydrophobicContact CB-CG1 4.38Å; I7-V27 HydrophobicContact CD1-CG1 3.99Å; I7-V27 HydrophobicContact CG1-CG1 3.84Å; I7-V27 HydrophobicContact CG2-CG1 3.9Å |
| 8 | V | 81.4 | Confident | 74.1 | Confident | 35 Ų | 35 | 64.8 Ų | 64.8 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -44.3 | -177.3 | 151.5 | 0 | 0 | 0 | 0 | 109.9 | L28 L30 L38 I204 | V8-L28 HydrophobicContact CB-CB 4.5Å; V8-L28 HydrophobicContact CG1-CB 4.45Å; V8-L28 PolarHBondContact N-O 2.99Å; V8-L30 HydrophobicContact CG2-CD2 4.17Å; V8-L30 HydrophobicContact CG2-CG 3.97Å; V8-L38 HydrophobicContact CB-CD2 4.12Å; V8-L38 HydrophobicContact CG1-CD2 4.05Å; V8-L38 HydrophobicContact CG2-CD2 4.03Å; V8-I204 HydrophobicContact CB-CD1 4.19Å; V8-I204 HydrophobicContact CG1-CD1 3.26Å; V8-I204 HydrophobicContact CG2-CD1 3.89Å |
| 9 | L | 86.6 | Confident | 73.9 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 131.9 | 172.9 | -73.2 | 166.7 | 0 | 0 | 0 | 107.4 | V27 L28 W197 N200 L201 | L9-V27 CarbonylContact O-C 3.53Å; L9-V27 WeakPolarHBondContact O-CA 3.36Å; L9-L28 HydrophobicContact CB-CB 4.34Å; L9-L28 HydrophobicContact CB-CD1 4.2Å; L9-L28 HydrophobicContact CD1-CD1 4.18Å; L9-L28 PolarHBondContact N-O 2.62Å; L9-L28 PolarHBondContact O-N 2.76Å; L9-W197 HydrophobicContact CB-CD2 4.33Å; L9-W197 HydrophobicContact CB-CE3 4.48Å; L9-W197 HydrophobicContact CB-CH2 4.4Å; L9-W197 HydrophobicContact CB-CZ2 4.25Å; L9-W197 HydrophobicContact CD1-CB 4.13Å; L9-W197 HydrophobicContact CD1-CD2 3.9Å; L9-W197 HydrophobicContact CD1-CE3 4Å; L9-W197 HydrophobicContact CD1-CG 3.96Å; L9-W197 HydrophobicContact CD2-CD2 4.48Å; L9-W197 HydrophobicContact CD2-CG 4.24Å; L9-W197 HydrophobicContact CG-CD2 4.48Å; L9-N200 HydrophobicContact CD1-CB 4.1Å; L9-N200 HydrophobicContact CD2-CB 3.97Å; L9-N200 HydrophobicContact CG-CB 4.22Å; L9-L201 HydrophobicContact CD1-CD1 4.41Å; L9-L201 HydrophobicContact CD1-CD2 4.38Å; L9-L201 HydrophobicContact CD1-CG 3.92Å |
| 10 | E | 90.5 | Very high | 74 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 33% | 0.332 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 141.9 | 169.1 | 55.8 | 166.2 | -119.7 | 0 | 0 | 110.7 | I7 Y25 C26 V27 R53 | I7-E10 WeakPolarHBondContact CD1-OE2 3.01Å; I7-E10 HydrophobicContact CG2-CB 3.97Å; I7-E10 HydrophobicContact CG2-CG 3.94Å; E10-Y25 HydrophobicContact CB-CE2 4.48Å; E10-Y25 PolarHBondContact OE1-OH 3.27Å; E10-Y25 PolarHBondContact OE2-OH 3.49Å; E10-Y25 VanDerWaalsContact OE2-OH 3.05Å; E10-C26 WeakPolarHBondContact CA-O 3.24Å; E10-V27 HydrophobicContact CB-CG1 4.38Å; E10-V27 HydrophobicContact CB-CG2 3.89Å; E10-R53 IonicContact OE1-NH2 2.78Å; E10-R53 IonicContact OE2-NH2 3.75Å; E10-R53 PolarHBondContact OE2-NH2 3.11Å |
| 11 | G | 88.7 | Confident | 74.4 | Confident | 10 Ų | 10 | 74.8 Ų | 74.8 | 10% | 0.103 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.1 | 168.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | A13 C26 | G11-A13 PolarHBondContact O-N 3.24Å; G11-C26 PolarHBondContact N-O 3.31Å; G11-C26 PolarHBondContact O-N 3.18Å |
| 12 | Y | 91.3 | Very high | 77.2 | Confident | 94 Ų | 94 | 69.1 Ų | 69.1 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | | | trans | -97.5 | 70 | -176.2 | -91.7 | -67.7 | 0 | 0 | 0 | 112.9 | K23 R24 Y25 S45 Y46 | Y12-K23 HydrophobicContact CD1-CD 4.35Å; Y12-K23 HydrophobicContact CD1-CG 4.14Å; Y12-R24 CarbonylContact C-O 3.52Å; Y12-R24 WeakPolarHBondContact CA-O 3.45Å; Y12-Y25 HydrophobicContact CD1-CD2 4.16Å; Y12-Y25 AromaticContact CD2-CD2 3.85Å; Y12-Y25 HydrophobicContact CD2-CD2 3.85Å; Y12-Y25 HydrophobicContact CD2-CE2 4.45Å; Y12-Y25 HydrophobicContact CE1-CD2 4.15Å; Y12-Y25 HydrophobicContact CE1-CG 4.32Å; Y12-Y25 AromaticContact CE2-CD2 3.82Å; Y12-Y25 HydrophobicContact CE2-CD2 3.82Å; Y12-Y25 HydrophobicContact CE2-CE2 4.41Å; Y12-Y25 HydrophobicContact CG-CD2 4.02Å; Y12-Y25 AromaticContact CZ-CD2 3.97Å; Y12-S45 WeakPolarHBondContact OH-CA 3.39Å; Y12-Y46 PolarHBondContact OH-N 3.19Å; Y12-Y46 VanDerWaalsContact OH-N 3.14Å |
| 13 | A | 89 | Confident | 79.9 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | | | trans | -73.7 | 158.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G11 Y15 R24 L186 L188 | G11-A13 PolarHBondContact O-N 3.24Å; A13-Y15 PolarHBondContact O-N 2.65Å; A13-R24 PolarHBondContact N-O 3.29Å; A13-R24 PolarHBondContact O-N 3.46Å; A13-R24 VanDerWaalsContact O-O 3.1Å; A13-L186 HydrophobicContact CB-CB 4.01Å; A13-L186 HydrophobicContact CB-CD2 4.06Å; A13-L186 HydrophobicContact CB-CG 4.42Å; A13-L188 HydrophobicContact CB-CD2 3.81Å |
| 14 | R | 87.4 | Confident | 81.9 | Confident | 115 Ų | 115 | 74.6 Ų | 74.6 | 43% | 0.434 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 103.6 | 158.6 | -60.5 | -174.4 | -165.3 | 179.6 | 9.3 | 108.6 | W21 K22 E171 L186 A187 | R14-W21 HydrophobicContact CB-CB 4.35Å; R14-W21 HydrophobicContact CB-CD2 4.42Å; R14-W21 HydrophobicContact CB-CE3 4.05Å; R14-W21 VanDerWaalsContact O-CE3 3.23Å; R14-W21 VanDerWaalsContact O-CZ3 3.23Å; R14-W21 WeakPolarHBondContact O-CZ3 3.15Å; R14-K22 CarbonylContact C-O 3.53Å; R14-K22 WeakPolarHBondContact CA-O 3.22Å; R14-E171 IonicContact NH1-OE1 2.66Å; R14-E171 PolarHBondContact NH1-OE1 3.05Å; R14-L186 CarbonylContact O-C 3.44Å; R14-L186 WeakPolarHBondContact O-CA 3.49Å; R14-A187 HydrophobicContact CB-CB 4.18Å; R14-A187 WeakPolarHBondContact CB-O 3.35Å; R14-A187 PolarHBondContact N-O 3.48Å; R14-A187 PolarHBondContact O-N 3.19Å |
| 15 | Y | 88 | Confident | 83.6 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 139.3 | 173.7 | 169.3 | -119.5 | 0 | 0 | 0 | 111.5 | A13 D17 W21 K22 R24 I42 Y184 L186 | A13-Y15 PolarHBondContact O-N 2.65Å; Y15-D17 VanDerWaalsContact C-N 3.32Å; Y15-D17 HydrophobicContact CD1-CB 3.89Å; Y15-D17 HydrophobicContact CE1-CB 3.9Å; Y15-D17 PolarHBondContact O-N 3.29Å; Y15-W21 WeakPolarHBondContact O-CA 3.45Å; Y15-K22 PolarHBondContact N-O 3.13Å; Y15-K22 PolarHBondContact O-N 3Å; Y15-R24 HydrophobicContact CD1-CG 4.18Å; Y15-R24 HydrophobicContact CG-CG 4.43Å; Y15-I42 HydrophobicContact CD1-CD1 4.21Å; Y15-I42 HydrophobicContact CD1-CG2 4Å; Y15-I42 HydrophobicContact CD2-CD1 3.89Å; Y15-I42 HydrophobicContact CE1-CD1 4.1Å; Y15-I42 HydrophobicContact CE2-CD1 3.8Å; Y15-I42 HydrophobicContact CG-CD1 4.11Å; Y15-I42 HydrophobicContact CG-CG2 4.26Å; Y15-Y184 AromaticContact CE2-CD1 3.73Å; Y15-Y184 HydrophobicContact CE2-CD1 3.73Å; Y15-Y184 HydrophobicContact CE2-CG 4.48Å; Y15-L186 HydrophobicContact CD2-CD2 3.91Å; Y15-L186 HydrophobicContact CG-CD2 4.37Å |
| 16 | R | 81.8 | Confident | 84.7 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 75.7 | 176.5 | -162.9 | 74.8 | 176.8 | -152.6 | -4.6 | 111.4 | G18 W21 A185 | R16-G18 VanDerWaalsContact C-N 3.3Å; R16-G18 PolarHBondContact O-N 2.87Å; R16-W21 HydrophobicContact CB-CE3 3.87Å; R16-W21 HydrophobicContact CB-CH2 4.32Å; R16-W21 HydrophobicContact CB-CZ3 3.63Å; R16-W21 HydrophobicContact CG-CE3 4.4Å; R16-W21 HydrophobicContact CG-CZ3 4.28Å; R16-W21 VanDerWaalsContact NH1-NE1 3.14Å; R16-A185 HydrophobicContact CB-CB 3.86Å; R16-A185 PolarHBondContact N-O 2.91Å |
| 17 | D | 79.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 82.6 | 176.6 | -166.4 | -54.8 | 0 | 0 | 0 | 109.9 | Y15 K19 K20 K22 R24 | Y15-D17 VanDerWaalsContact C-N 3.32Å; Y15-D17 HydrophobicContact CD1-CB 3.89Å; Y15-D17 HydrophobicContact CE1-CB 3.9Å; Y15-D17 PolarHBondContact O-N 3.29Å; D17-K19 PolarHBondContact O-N 3.48Å; D17-K20 CarbonylContact C-O 3.55Å; D17-K20 PolarHBondContact N-O 3.4Å; D17-K20 PolarHBondContact O-N 3.36Å; D17-K20 VanDerWaalsContact O-N 3.14Å; D17-K22 HydrophobicContact CB-CB 4.47Å; D17-K22 HydrophobicContact CB-CD 3.77Å; D17-K22 HydrophobicContact CB-CG 3.99Å; D17-K22 WeakPolarHBondContact OD1-CE 3.34Å; D17-K22 IonicContact OD1-NZ 3.12Å; D17-K22 PolarHBondContact OD1-NZ 3.35Å; D17-K22 VanDerWaalsContact OD2-CD 3.3Å; D17-K22 WeakPolarHBondContact OD2-CD 3.14Å; D17-K22 WeakPolarHBondContact OD2-CE 3.36Å; D17-K22 IonicContact OD2-NZ 2.78Å; D17-K22 PolarHBondContact OD2-NZ 2.88Å; D17-R24 IonicContact OD2-CZ 3.46Å; D17-R24 IonicContact OD2-NE 3.73Å; D17-R24 IonicContact OD2-NH2 3.29Å; D17-R24 PolarHBondContact OD2-NH2 2.78Å |
| 18 | G | 76.4 | Confident | 85.8 | Confident | 62 Ų | 62 | 61.7 Ų | 61.7 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | -111.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R16 | R16-G18 VanDerWaalsContact C-N 3.3Å; R16-G18 PolarHBondContact O-N 2.87Å |
| 19 | K | 69.4 | Low | 86 | Confident | 195 Ų | 195 | 60 Ų | 60 | 85% | 0.848 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.4 | 177.7 | -72.2 | -171.4 | 178 | -178.6 | 0 | 114 | D17 | D17-K19 PolarHBondContact O-N 3.48Š|
| 20 | K | 75.6 | Confident | 85.7 | Confident | 154 Ų | 154 | 61.1 Ų | 61.1 | 67% | 0.67 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.5 | -175 | -66 | -173.3 | 177.6 | -175.2 | 0 | 111.7 | D17 | D17-K20 CarbonylContact C-O 3.55Å; D17-K20 PolarHBondContact N-O 3.4Å; D17-K20 PolarHBondContact O-N 3.36Å; D17-K20 VanDerWaalsContact O-N 3.14Å |
| 21 | W | 83.5 | Confident | 85 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 21% | 0.205 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.7 | 161 | -65.7 | 124.7 | 0 | 0 | 0 | 109.7 | R14 Y15 R16 E171 I174 A185 A187 | R14-W21 HydrophobicContact CB-CB 4.35Å; R14-W21 HydrophobicContact CB-CD2 4.42Å; R14-W21 HydrophobicContact CB-CE3 4.05Å; R14-W21 VanDerWaalsContact O-CE3 3.23Å; R14-W21 VanDerWaalsContact O-CZ3 3.23Å; R14-W21 WeakPolarHBondContact O-CZ3 3.15Å; Y15-W21 WeakPolarHBondContact O-CA 3.45Å; R16-W21 HydrophobicContact CB-CE3 3.87Å; R16-W21 HydrophobicContact CB-CH2 4.32Å; R16-W21 HydrophobicContact CB-CZ3 3.63Å; R16-W21 HydrophobicContact CG-CE3 4.4Å; R16-W21 HydrophobicContact CG-CZ3 4.28Å; R16-W21 VanDerWaalsContact NH1-NE1 3.14Å; W21-E171 VanDerWaalsContact CD1-OE1 3.25Å; W21-E171 VanDerWaalsContact NE1-CD 3.29Å; W21-E171 PolarHBondContact NE1-OE1 3.02Å; W21-E171 PolarHBondContact NE1-OE2 3.28Å; W21-I174 HydrophobicContact CH2-CD1 4.36Å; W21-I174 HydrophobicContact CZ2-CD1 4.35Å; W21-A185 HydrophobicContact CH2-CB 4.49Å; W21-A187 HydrophobicContact CE3-CB 4.38Å; W21-A187 HydrophobicContact CH2-CB 3.7Å; W21-A187 HydrophobicContact CZ2-CB 4.01Å; W21-A187 HydrophobicContact CZ3-CB 3.89Å |
| 22 | K | 87.6 | Confident | 83.8 | Confident | 84 Ų | 84 | 59.1 Ų | 59.1 | 37% | 0.365 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.5 | 168.8 | -60.3 | -177 | -162.1 | 162.7 | 0 | 108.3 | R14 Y15 D17 R24 | R14-K22 CarbonylContact C-O 3.53Å; R14-K22 WeakPolarHBondContact CA-O 3.22Å; Y15-K22 PolarHBondContact N-O 3.13Å; Y15-K22 PolarHBondContact O-N 3Å; D17-K22 HydrophobicContact CB-CB 4.47Å; D17-K22 HydrophobicContact CB-CD 3.77Å; D17-K22 HydrophobicContact CB-CG 3.99Å; D17-K22 WeakPolarHBondContact OD1-CE 3.34Å; D17-K22 IonicContact OD1-NZ 3.12Å; D17-K22 PolarHBondContact OD1-NZ 3.35Å; D17-K22 VanDerWaalsContact OD2-CD 3.3Å; D17-K22 WeakPolarHBondContact OD2-CD 3.14Å; D17-K22 WeakPolarHBondContact OD2-CE 3.36Å; D17-K22 IonicContact OD2-NZ 2.78Å; D17-K22 PolarHBondContact OD2-NZ 2.88Å; K22-R24 HydrophobicContact CB-CG 4.46Å; K22-R24 PolarHBondContact O-N 2.69Å |
| 23 | K | 90.7 | Very high | 82.5 | Confident | 147 Ų | 147 | 56.9 Ų | 56.9 | 64% | 0.639 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 125.9 | 167.3 | -169.3 | 178.4 | -177.2 | -176.7 | 0 | 107.5 | Y12 | Y12-K23 HydrophobicContact CD1-CD 4.35Å; Y12-K23 HydrophobicContact CD1-CG 4.14Å |
| 24 | R | 92.1 | Very high | 81.3 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | | | trans | -134.6 | 151.6 | 178.9 | -65.7 | -62.5 | -165.8 | 149.7 | 9 | 107.9 | Y12 A13 Y15 D17 K22 I42 T43 | Y12-R24 CarbonylContact C-O 3.52Å; Y12-R24 WeakPolarHBondContact CA-O 3.45Å; A13-R24 PolarHBondContact N-O 3.29Å; A13-R24 PolarHBondContact O-N 3.46Å; A13-R24 VanDerWaalsContact O-O 3.1Å; Y15-R24 HydrophobicContact CD1-CG 4.18Å; Y15-R24 HydrophobicContact CG-CG 4.43Å; D17-R24 IonicContact OD2-CZ 3.46Å; D17-R24 IonicContact OD2-NE 3.73Å; D17-R24 IonicContact OD2-NH2 3.29Å; D17-R24 PolarHBondContact OD2-NH2 2.78Å; K22-R24 HydrophobicContact CB-CG 4.46Å; K22-R24 PolarHBondContact O-N 2.69Å; R24-I42 HydrophobicContact CB-CG2 3.73Å; R24-I42 HydrophobicContact CG-CG2 3.72Å; R24-T43 WeakPolarHBondContact CA-O 3.18Å; R24-T43 WeakPolarHBondContact CB-O 3.1Å; R24-T43 VanDerWaalsContact CD-O 3.29Å; R24-T43 WeakPolarHBondContact CD-O 3.35Å |
| 25 | Y | 92.3 | Very high | 80 | Confident | 7 Ų | 7 | 56.2 Ų | 56.2 | 3% | 0.027 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.6 | 165.5 | -173.6 | -108.1 | 0 | 0 | 0 | 108 | E10 Y12 V27 T43 Y46 F49 R53 | E10-Y25 HydrophobicContact CB-CE2 4.48Å; E10-Y25 PolarHBondContact OE1-OH 3.27Å; E10-Y25 PolarHBondContact OE2-OH 3.49Å; E10-Y25 VanDerWaalsContact OE2-OH 3.05Å; Y12-Y25 HydrophobicContact CD1-CD2 4.16Å; Y12-Y25 AromaticContact CD2-CD2 3.85Å; Y12-Y25 HydrophobicContact CD2-CD2 3.85Å; Y12-Y25 HydrophobicContact CD2-CE2 4.45Å; Y12-Y25 HydrophobicContact CE1-CD2 4.15Å; Y12-Y25 HydrophobicContact CE1-CG 4.32Å; Y12-Y25 AromaticContact CE2-CD2 3.82Å; Y12-Y25 HydrophobicContact CE2-CD2 3.82Å; Y12-Y25 HydrophobicContact CE2-CE2 4.41Å; Y12-Y25 HydrophobicContact CG-CD2 4.02Å; Y12-Y25 AromaticContact CZ-CD2 3.97Å; Y25-V27 HydrophobicContact CD1-CG2 3.98Å; Y25-V27 HydrophobicContact CE1-CG2 3.53Å; Y25-T43 WeakPolarHBondContact CB-OG1 3.42Å; Y25-T43 PolarHBondContact N-O 3.31Å; Y25-T43 VanDerWaalsContact N-O 3.11Å; Y25-T43 PolarHBondContact O-N 3.38Å; Y25-T43 PolarHBondContact O-OG1 3.4Å; Y25-Y46 HydrophobicContact CE1-CD2 4.1Å; Y25-Y46 HydrophobicContact CE2-CD2 4.02Å; Y25-Y46 AromaticContact CZ-CD2 3.55Å; Y25-Y46 WeakPolarHBondContact OH-CD2 3.22Å; Y25-Y46 WeakPolarHBondContact OH-CE2 3.15Å; Y25-F49 AromaticContact CD1-CD2 3.91Å; Y25-F49 HydrophobicContact CD1-CD2 3.91Å; Y25-F49 AromaticContact CD1-CE2 3.8Å; Y25-F49 HydrophobicContact CD1-CE2 3.8Å; Y25-F49 AromaticContact CE1-CD2 3.87Å; Y25-F49 HydrophobicContact CE1-CD2 3.87Å; Y25-F49 AromaticContact CE1-CE2 3.98Å; Y25-F49 HydrophobicContact CE1-CE2 3.98Å; Y25-R53 PolarHBondContact OH-NH2 3.27Å |
| 26 | C | 91.8 | Very high | 78.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.1 | -171.9 | -58.3 | 0 | 0 | 0 | 0 | 108.8 | E10 G11 Y41 W197 | E10-C26 WeakPolarHBondContact CA-O 3.24Å; G11-C26 PolarHBondContact N-O 3.31Å; G11-C26 PolarHBondContact O-N 3.18Å; C26-Y41 WeakPolarHBondContact CA-O 3.25Å; C26-W197 HydrophobicContact CB-CH2 4.24Å |
| 27 | V | 90 | Very high | 78.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.4 | -179.5 | -178 | 0 | 0 | 0 | 0 | 108.8 | I7 L9 E10 Y25 Y41 F49 | I7-V27 HydrophobicContact CB-CG1 4.38Å; I7-V27 HydrophobicContact CD1-CG1 3.99Å; I7-V27 HydrophobicContact CG1-CG1 3.84Å; I7-V27 HydrophobicContact CG2-CG1 3.9Å; L9-V27 CarbonylContact O-C 3.53Å; L9-V27 WeakPolarHBondContact O-CA 3.36Å; E10-V27 HydrophobicContact CB-CG1 4.38Å; E10-V27 HydrophobicContact CB-CG2 3.89Å; Y25-V27 HydrophobicContact CD1-CG2 3.98Å; Y25-V27 HydrophobicContact CE1-CG2 3.53Å; V27-Y41 PolarHBondContact N-O 3.12Å; V27-Y41 PolarHBondContact O-N 2.93Å; V27-F49 HydrophobicContact CB-CE1 4.24Å; V27-F49 HydrophobicContact CB-CE2 4.36Å; V27-F49 HydrophobicContact CB-CZ 3.74Å; V27-F49 HydrophobicContact CG1-CE1 4.46Å; V27-F49 HydrophobicContact CG1-CZ 4.43Å; V27-F49 HydrophobicContact CG2-CD2 4.31Å; V27-F49 HydrophobicContact CG2-CE1 4.05Å; V27-F49 HydrophobicContact CG2-CE2 3.53Å; V27-F49 HydrophobicContact CG2-CZ 3.39Å |
| 28 | L | 88.7 | Confident | 78.4 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.9 | 162.3 | -79.5 | 133.8 | 0 | 0 | 0 | 108.2 | V8 L9 L38 H39 L40 I159 L177 W197 L201 | V8-L28 HydrophobicContact CB-CB 4.5Å; V8-L28 HydrophobicContact CG1-CB 4.45Å; V8-L28 PolarHBondContact N-O 2.99Å; L9-L28 HydrophobicContact CB-CB 4.34Å; L9-L28 HydrophobicContact CB-CD1 4.2Å; L9-L28 HydrophobicContact CD1-CD1 4.18Å; L9-L28 PolarHBondContact N-O 2.62Å; L9-L28 PolarHBondContact O-N 2.76Å; L28-L38 HydrophobicContact CB-CD2 4.4Å; L28-L38 HydrophobicContact CD2-CB 4.4Å; L28-L38 HydrophobicContact CD2-CD2 4.35Å; L28-H39 WeakPolarHBondContact CA-O 3.37Å; L28-L40 HydrophobicContact CG-CD1 4.26Å; L28-I159 HydrophobicContact CD2-CB 4.4Å; L28-I159 HydrophobicContact CD2-CG1 3.94Å; L28-L177 HydrophobicContact CD1-CD1 4.11Å; L28-L177 HydrophobicContact CD2-CD1 4.4Å; L28-W197 HydrophobicContact CD1-CE3 4.07Å; L28-W197 HydrophobicContact CD1-CH2 4.39Å; L28-W197 HydrophobicContact CD1-CZ3 3.62Å; L28-L201 HydrophobicContact CD1-CD2 4.22Å; L28-L201 HydrophobicContact CD2-CD2 4.25Å |
| 29 | S | 85.5 | Confident | 79 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 156.2 | 172.6 | 89 | 0 | 0 | 0 | 0 | 110.9 | I5 R6 L38 H39 Y41 | I5-S29 VanDerWaalsContact CG2-CB 3.41Å; R6-S29 CarbonylContact O-C 3.34Å; R6-S29 WeakPolarHBondContact O-CA 3.42Å; R6-S29 VanDerWaalsContact O-CB 3.28Å; R6-S29 WeakPolarHBondContact O-CB 3.42Å; S29-L38 CarbonylContact O-C 3.58Å; S29-L38 WeakPolarHBondContact O-CA 3.06Å; S29-H39 PolarHBondContact N-O 3.04Å; S29-H39 PolarHBondContact O-N 2.79Å; S29-Y41 WeakPolarHBondContact OG-CE2 3.39Å |
| 30 | L | 79.9 | Confident | 80 | Confident | 40 Ų | 40 | 38.4 Ų | 38.4 | 21% | 0.209 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 148.1 | 160.7 | -60.5 | 177.5 | 0 | 0 | 0 | 109.7 | R6 V8 A37 L38 F210 | R6-L30 HydrophobicContact CB-CB 4.49Å; R6-L30 PolarHBondContact O-N 3.29Å; V8-L30 HydrophobicContact CG2-CD2 4.17Å; V8-L30 HydrophobicContact CG2-CG 3.97Å; L30-A37 WeakPolarHBondContact CA-O 3.47Å; L30-L38 HydrophobicContact CD2-CD2 4.19Å; L30-F210 HydrophobicContact CD2-CE2 4.42Å; L30-F210 HydrophobicContact CD2-CZ 3.9Å |
| 31 | S | 75 | Confident | 80.7 | Confident | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.156 | C | C | . | . | | | trans | -66.6 | 141.3 | 172.6 | 159.8 | 0 | 0 | 0 | 0 | 110.9 | T33 T34 A37 | S31-T33 PolarHBondContact O-N 2.78Å; S31-T33 PolarHBondContact OG-N 2.76Å; S31-T33 PolarHBondContact OG-OG1 2.77Å; S31-T34 WeakPolarHBondContact CB-O 3.47Å; S31-T34 VanDerWaalsContact CB-OG1 3.25Å; S31-T34 WeakPolarHBondContact CB-OG1 3.32Å; S31-T34 PolarHBondContact OG-N 3.21Å; S31-T34 PolarHBondContact OG-OG1 2.89Å; S31-A37 PolarHBondContact N-O 2.92Å |
| 32 | P | 64.2 | Low | 81.1 | Confident | 30 Ų | 30 | 30 Ų | 30 | 20% | 0.195 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -69.5 | -15.3 | -179.2 | 28.9 | -35.4 | 0 | 0 | 0 | 113.9 | A143 | P32-A143 HydrophobicContact CG-CB 3.95Š|
| 33 | T | 63.5 | Low | 81.3 | Confident | 47 Ų | 47 | 26.3 Ų | 26.3 | 29% | 0.288 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -115.6 | -22.9 | 179.9 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | S31 G139 T142 | S31-T33 PolarHBondContact O-N 2.78Å; S31-T33 PolarHBondContact OG-N 2.76Å; S31-T33 PolarHBondContact OG-OG1 2.77Å; T33-G139 WeakPolarHBondContact OG1-CA 3.31Å; T33-T142 HydrophobicContact CG2-CG2 3.63Å |
| 34 | T | 64.5 | Low | 81.2 | Confident | 27 Ų | 27 | 26.9 Ų | 26.9 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | | | trans | -127.2 | 97.3 | -174.5 | 30.6 | 0 | 0 | 0 | 0 | 109.3 | S31 D36 A37 N135 | S31-T34 WeakPolarHBondContact CB-O 3.47Å; S31-T34 VanDerWaalsContact CB-OG1 3.25Å; S31-T34 WeakPolarHBondContact CB-OG1 3.32Å; S31-T34 PolarHBondContact OG-N 3.21Å; S31-T34 PolarHBondContact OG-OG1 2.89Å; T34-D36 PolarHBondContact O-N 2.98Å; T34-D36 VanDerWaalsContact O-N 3.08Å; T34-A37 PolarHBondContact O-N 3.14Å; T34-N135 HydrophobicContact CG2-CB 4.4Å |
| 35 | P | 60.2 | Low | 81 | Confident | 76 Ų | 76 | 25.9 Ų | 25.9 | 49% | 0.494 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -15.2 | -177.7 | 28.2 | -35.3 | 0 | 0 | 0 | 113.3 | A37 | P35-A37 VanDerWaalsContact C-N 3.3Š|
| 36 | D | 62.7 | Low | 80.7 | Confident | 74 Ų | 74 | 29.8 Ų | 29.8 | 40% | 0.396 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 13.4 | -178.7 | -51.1 | -21.7 | 0 | 0 | 0 | 112.4 | T34 R209 F210 | T34-D36 PolarHBondContact O-N 2.98Å; T34-D36 VanDerWaalsContact O-N 3.08Å; D36-R209 WeakPolarHBondContact CB-O 3.3Å; D36-R209 WeakPolarHBondContact OD1-CB 3.44Å; D36-F210 WeakPolarHBondContact O-CD1 3.2Å; D36-F210 WeakPolarHBondContact O-CE1 3.23Å |
| 37 | A | 71.9 | Confident | 80.4 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | | | trans | -136.6 | 142 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L30 S31 T34 P35 E158 | L30-A37 WeakPolarHBondContact CA-O 3.47Å; S31-A37 PolarHBondContact N-O 2.92Å; T34-A37 PolarHBondContact O-N 3.14Å; P35-A37 VanDerWaalsContact C-N 3.3Å; A37-E158 HydrophobicContact CB-CG 4.01Å; A37-E158 WeakPolarHBondContact CB-OE2 3.29Å |
| 38 | L | 81.7 | Confident | 80.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.3 | 176.6 | -84.8 | 162.4 | 0 | 0 | 0 | 110.1 | V8 L28 S29 L30 E158 I159 L201 I204 V205 F210 | V8-L38 HydrophobicContact CB-CD2 4.12Å; V8-L38 HydrophobicContact CG1-CD2 4.05Å; V8-L38 HydrophobicContact CG2-CD2 4.03Å; L28-L38 HydrophobicContact CB-CD2 4.4Å; L28-L38 HydrophobicContact CD2-CB 4.4Å; L28-L38 HydrophobicContact CD2-CD2 4.35Å; S29-L38 CarbonylContact O-C 3.58Å; S29-L38 WeakPolarHBondContact O-CA 3.06Å; L30-L38 HydrophobicContact CD2-CD2 4.19Å; L38-E158 CarbonylContact O-C 3.27Å; L38-E158 VanDerWaalsContact O-CA 3.26Å; L38-E158 WeakPolarHBondContact O-CA 3.18Å; L38-E158 WeakPolarHBondContact O-CG 3.4Å; L38-I159 HydrophobicContact CB-CB 4.11Å; L38-I159 PolarHBondContact O-N 3.4Å; L38-L201 HydrophobicContact CD1-CD2 4.19Å; L38-I204 HydrophobicContact CD1-CG2 3.96Å; L38-I204 HydrophobicContact CG-CG2 4.45Å; L38-V205 HydrophobicContact CD1-CG2 4.4Å; L38-F210 HydrophobicContact CB-CE1 4.33Å; L38-F210 HydrophobicContact CD1-CE1 3.95Å; L38-F210 HydrophobicContact CD1-CZ 4.36Å; L38-F210 HydrophobicContact CG-CE1 3.8Å; L38-F210 HydrophobicContact CG-CZ 4.01Å |
| 39 | H | 87.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 136.8 | 170.3 | -70.6 | 172.5 | 0 | 0 | 0 | 110.8 | L28 S29 Y41 G139 P155 D157 | L28-H39 WeakPolarHBondContact CA-O 3.37Å; S29-H39 PolarHBondContact N-O 3.04Å; S29-H39 PolarHBondContact O-N 2.79Å; H39-Y41 HydrophobicContact CB-CD2 4.5Å; H39-Y41 HydrophobicContact CB-CE2 3.74Å; H39-G139 PolarHBondContact CE1-O 2.88Å; H39-P155 HydrophobicContact CB-CB 3.92Å; H39-D157 WeakPolarHBondContact CA-O 3.49Å |
| 40 | L | 90.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.2 | 172.6 | 175.2 | 64.4 | 0 | 0 | 0 | 110.9 | L28 I42 V156 D157 I159 L177 Y184 | L28-L40 HydrophobicContact CG-CD1 4.26Å; L40-I42 HydrophobicContact CD1-CG1 4.34Å; L40-I42 HydrophobicContact CD2-CD1 4.07Å; L40-I42 HydrophobicContact CD2-CG1 4.31Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4.08Å; L40-V156 PolarHBondContact O-N 3.15Å; L40-D157 PolarHBondContact N-O 2.8Å; L40-I159 HydrophobicContact CB-CD1 3.82Å; L40-I159 HydrophobicContact CB-CG1 3.8Å; L40-I159 HydrophobicContact CD2-CD1 4.11Å; L40-L177 HydrophobicContact CD1-CD1 3.93Å; L40-L177 HydrophobicContact CD2-CD1 3.87Å; L40-L177 HydrophobicContact CG-CD1 4.46Å; L40-Y184 HydrophobicContact CD2-CD1 3.9Å; L40-Y184 HydrophobicContact CD2-CD2 3.96Å; L40-Y184 HydrophobicContact CD2-CG 3.61Å |
| 41 | Y | 91.7 | Very high | 79.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 139.1 | 173.4 | -56.7 | -106.8 | 0 | 0 | 0 | 109.3 | I5 C26 V27 S29 H39 F49 P153 P155 | I5-Y41 HydrophobicContact CD1-CE1 4.41Å; C26-Y41 WeakPolarHBondContact CA-O 3.25Å; V27-Y41 PolarHBondContact N-O 3.12Å; V27-Y41 PolarHBondContact O-N 2.93Å; S29-Y41 WeakPolarHBondContact OG-CE2 3.39Å; H39-Y41 HydrophobicContact CB-CD2 4.5Å; H39-Y41 HydrophobicContact CB-CE2 3.74Å; Y41-F49 HydrophobicContact CD1-CE1 4.36Å; Y41-F49 HydrophobicContact CG-CE1 4.28Å; Y41-F49 HydrophobicContact CG-CZ 4.18Å; Y41-P153 WeakPolarHBondContact CD1-O 3.23Å; Y41-P153 WeakPolarHBondContact CE1-O 3.22Å; Y41-P155 HydrophobicContact CD1-CB 4.21Å; Y41-P155 HydrophobicContact CE1-CB 3.8Å; Y41-P155 HydrophobicContact CE1-CG 4.3Å; Y41-P155 HydrophobicContact CE2-CB 4.27Å |
| 42 | I | 91.1 | Very high | 79.1 | Confident | 31 Ų | 31 | 39.9 Ų | 39.9 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 115.4 | -179 | -53.2 | 178.9 | 0 | 0 | 0 | 109.4 | Y15 R24 L40 V156 Y184 | Y15-I42 HydrophobicContact CD1-CD1 4.21Å; Y15-I42 HydrophobicContact CD1-CG2 4Å; Y15-I42 HydrophobicContact CD2-CD1 3.89Å; Y15-I42 HydrophobicContact CE1-CD1 4.1Å; Y15-I42 HydrophobicContact CE2-CD1 3.8Å; Y15-I42 HydrophobicContact CG-CD1 4.11Å; Y15-I42 HydrophobicContact CG-CG2 4.26Å; R24-I42 HydrophobicContact CB-CG2 3.73Å; R24-I42 HydrophobicContact CG-CG2 3.72Å; L40-I42 HydrophobicContact CD1-CG1 4.34Å; L40-I42 HydrophobicContact CD2-CD1 4.07Å; L40-I42 HydrophobicContact CD2-CG1 4.31Å; L40-I42 HydrophobicContact CG-CD1 4.39Å; L40-I42 HydrophobicContact CG-CG1 4.08Å; I42-V156 HydrophobicContact CB-CG2 4.27Å; I42-V156 HydrophobicContact CG1-CG2 4.18Å; I42-Y184 HydrophobicContact CD1-CD1 3.83Å; I42-Y184 HydrophobicContact CD1-CE1 4.3Å |
| 43 | T | 91.1 | Very high | 79.3 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.043 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 172.7 | -170.2 | 60.6 | 0 | 0 | 0 | 0 | 111.9 | R24 Y25 S45 D48 F49 P153 | R24-T43 WeakPolarHBondContact CA-O 3.18Å; R24-T43 WeakPolarHBondContact CB-O 3.1Å; R24-T43 VanDerWaalsContact CD-O 3.29Å; R24-T43 WeakPolarHBondContact CD-O 3.35Å; Y25-T43 WeakPolarHBondContact CB-OG1 3.42Å; Y25-T43 PolarHBondContact N-O 3.31Å; Y25-T43 VanDerWaalsContact N-O 3.11Å; Y25-T43 PolarHBondContact O-N 3.38Å; Y25-T43 PolarHBondContact O-OG1 3.4Å; T43-S45 PolarHBondContact OG1-O 3Å; T43-D48 WeakPolarHBondContact CB-OD2 3.47Å; T43-D48 HydrophobicContact CG2-CB 3.97Å; T43-F49 HydrophobicContact CG2-CD2 4.12Å; T43-F49 HydrophobicContact CG2-CE2 3.39Å; T43-F49 HydrophobicContact CG2-CZ 3.91Å; T43-P153 HydrophobicContact CG2-CB 3.68Å; T43-P153 HydrophobicContact CG2-CG 3.79Å |
| 44 | K | 89.3 | Confident | 79.3 | Confident | 160 Ų | 160 | 43.9 Ų | 43.9 | 70% | 0.696 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -79.7 | -45.4 | 176.5 | -65.7 | 173.7 | -175.8 | 167.4 | 0 | 110.4 | D48 | K44-D48 WeakPolarHBondContact CA-OD2 3.26Å; K44-D48 WeakPolarHBondContact CB-OD2 3.29Å; K44-D48 PolarHBondContact N-OD2 3.17Å |
| 45 | S | 88.2 | Confident | 79.1 | Confident | 30 Ų | 30 | 45.1 Ų | 45.1 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -140.8 | 172.1 | 178.3 | 73.5 | 0 | 0 | 0 | 0 | 112.7 | Y12 T43 D47 D48 | Y12-S45 WeakPolarHBondContact OH-CA 3.39Å; T43-S45 PolarHBondContact OG1-O 3Å; S45-D47 VanDerWaalsContact CB-OD2 3.26Å; S45-D47 WeakPolarHBondContact CB-OD2 3.14Å; S45-D47 PolarHBondContact O-N 3.34Å; S45-D47 PolarHBondContact OG-N 3.46Å; S45-D47 PolarHBondContact OG-OD2 2.9Å; S45-D48 PolarHBondContact N-OD2 3.36Å; S45-D48 PolarHBondContact O-N 3.18Å |
| 46 | Y | 85.6 | Confident | 78.5 | Confident | 90 Ų | 90 | 43.8 Ų | 43.8 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -52.3 | -32.2 | 169.8 | -179.1 | -92.5 | 0 | 0 | 0 | 113.4 | Y12 Y25 D48 F49 R53 | Y12-Y46 PolarHBondContact OH-N 3.19Å; Y12-Y46 VanDerWaalsContact OH-N 3.14Å; Y25-Y46 HydrophobicContact CE1-CD2 4.1Å; Y25-Y46 HydrophobicContact CE2-CD2 4.02Å; Y25-Y46 AromaticContact CZ-CD2 3.55Å; Y25-Y46 WeakPolarHBondContact OH-CD2 3.22Å; Y25-Y46 WeakPolarHBondContact OH-CE2 3.15Å; Y46-D48 VanDerWaalsContact C-N 3.35Å; Y46-F49 PolarHBondContact O-N 3.3Å; Y46-R53 PolarHBondContact O-NH1 2.81Å |
| 47 | D | 85.2 | Confident | 77.4 | Confident | 106 Ų | 106 | 42 Ų | 42 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | G | 310 helix | trans | -77.3 | -21.7 | -170.8 | -36.8 | -72.3 | 0 | 0 | 0 | 112.4 | S45 F49 A50 | S45-D47 VanDerWaalsContact CB-OD2 3.26Å; S45-D47 WeakPolarHBondContact CB-OD2 3.14Å; S45-D47 PolarHBondContact O-N 3.34Å; S45-D47 PolarHBondContact OG-N 3.46Å; S45-D47 PolarHBondContact OG-OD2 2.9Å; D47-F49 PolarHBondContact O-N 3.11Å; D47-F49 VanDerWaalsContact O-N 3.11Å; D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 2.89Å |
| 48 | D | 84.7 | Confident | 75.6 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 35% | 0.353 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -56.6 | -26.1 | 171.1 | -67.8 | -47 | 0 | 0 | 0 | 110.9 | T43 K44 S45 Y46 P153 | T43-D48 WeakPolarHBondContact CB-OD2 3.47Å; T43-D48 HydrophobicContact CG2-CB 3.97Å; K44-D48 WeakPolarHBondContact CA-OD2 3.26Å; K44-D48 WeakPolarHBondContact CB-OD2 3.29Å; K44-D48 PolarHBondContact N-OD2 3.17Å; S45-D48 PolarHBondContact N-OD2 3.36Å; S45-D48 PolarHBondContact O-N 3.18Å; Y46-D48 VanDerWaalsContact C-N 3.35Å; D48-P153 WeakPolarHBondContact O-CD 3.32Å |
| 49 | F | 83 | Confident | 73.1 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -84.8 | 0.2 | 174.9 | -73.3 | -93.3 | 0 | 0 | 0 | 115 | Y25 V27 Y41 T43 Y46 D47 A51 Y52 R53 P153 | Y25-F49 AromaticContact CD1-CD2 3.91Å; Y25-F49 HydrophobicContact CD1-CD2 3.91Å; Y25-F49 AromaticContact CD1-CE2 3.8Å; Y25-F49 HydrophobicContact CD1-CE2 3.8Å; Y25-F49 AromaticContact CE1-CD2 3.87Å; Y25-F49 HydrophobicContact CE1-CD2 3.87Å; Y25-F49 AromaticContact CE1-CE2 3.98Å; Y25-F49 HydrophobicContact CE1-CE2 3.98Å; V27-F49 HydrophobicContact CB-CE1 4.24Å; V27-F49 HydrophobicContact CB-CE2 4.36Å; V27-F49 HydrophobicContact CB-CZ 3.74Å; V27-F49 HydrophobicContact CG1-CE1 4.46Å; V27-F49 HydrophobicContact CG1-CZ 4.43Å; V27-F49 HydrophobicContact CG2-CD2 4.31Å; V27-F49 HydrophobicContact CG2-CE1 4.05Å; V27-F49 HydrophobicContact CG2-CE2 3.53Å; V27-F49 HydrophobicContact CG2-CZ 3.39Å; Y41-F49 HydrophobicContact CD1-CE1 4.36Å; Y41-F49 HydrophobicContact CG-CE1 4.28Å; Y41-F49 HydrophobicContact CG-CZ 4.18Å; T43-F49 HydrophobicContact CG2-CD2 4.12Å; T43-F49 HydrophobicContact CG2-CE2 3.39Å; T43-F49 HydrophobicContact CG2-CZ 3.91Å; Y46-F49 PolarHBondContact O-N 3.3Å; D47-F49 PolarHBondContact O-N 3.11Å; D47-F49 VanDerWaalsContact O-N 3.11Å; F49-A51 PolarHBondContact O-N 3.21Å; F49-Y52 AromaticContact CD1-CD2 3.74Å; F49-Y52 HydrophobicContact CD1-CD2 3.74Å; F49-Y52 HydrophobicContact CD1-CE2 4.24Å; F49-Y52 HydrophobicContact CE1-CD2 4.33Å; F49-Y52 HydrophobicContact CE1-CE2 4.41Å; F49-Y52 PolarHBondContact O-N 2.86Å; F49-R53 PolarHBondContact O-N 2.96Å; F49-P153 HydrophobicContact CD1-CG 4.09Å; F49-P153 HydrophobicContact CD2-CG 4.34Å; F49-P153 HydrophobicContact CE1-CG 3.95Å; F49-P153 HydrophobicContact CE2-CG 4.23Å; F49-P153 HydrophobicContact CG-CG 4.27Å; F49-P153 HydrophobicContact CZ-CG 4.02Å |
| 50 | A | 77.8 | Confident | 70.4 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 29% | 0.289 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55.6 | -36.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | D47 Y52 R53 N54 | D47-A50 WeakPolarHBondContact O-CB 3.45Å; D47-A50 PolarHBondContact O-N 2.89Å; A50-Y52 PolarHBondContact O-N 3.46Å; A50-R53 PolarHBondContact O-N 3.04Å; A50-N54 WeakPolarHBondContact O-CB 3.41Å; A50-N54 PolarHBondContact O-N 2.9Å |
| 51 | A | 71.8 | Confident | 67.5 | Low | 24 Ų | 24 | 55.3 Ų | 55.3 | 20% | 0.198 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -51.6 | -47.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F49 S55 V150 | F49-A51 PolarHBondContact O-N 3.21Å; A51-S55 WeakPolarHBondContact O-CB 3.47Å; A51-S55 PolarHBondContact O-N 3.14Å; A51-S55 PolarHBondContact O-OG 2.94Å; A51-V150 HydrophobicContact CB-CG2 4.36Å; A51-V150 WeakPolarHBondContact CB-O 3.38Å |
| 52 | Y | 74.5 | Confident | 64.3 | Low | 23 Ų | 23 | 61 Ų | 61 | 9% | 0.09 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -73.7 | -31 | 178.8 | -68.1 | -65.3 | 0 | 0 | 0 | 113.4 | I5 F49 A50 A147 V150 P153 | I5-Y52 HydrophobicContact CD1-CD1 3.59Å; I5-Y52 HydrophobicContact CD1-CD2 4.1Å; I5-Y52 HydrophobicContact CD1-CE1 3.33Å; I5-Y52 HydrophobicContact CD1-CE2 3.83Å; I5-Y52 HydrophobicContact CD1-CG 3.96Å; I5-Y52 VanDerWaalsContact CD1-CZ 3.43Å; I5-Y52 HydrophobicContact CG1-CD1 4.4Å; I5-Y52 HydrophobicContact CG1-CE1 4.39Å; F49-Y52 AromaticContact CD1-CD2 3.74Å; F49-Y52 HydrophobicContact CD1-CD2 3.74Å; F49-Y52 HydrophobicContact CD1-CE2 4.24Å; F49-Y52 HydrophobicContact CE1-CD2 4.33Å; F49-Y52 HydrophobicContact CE1-CE2 4.41Å; F49-Y52 PolarHBondContact O-N 2.86Å; A50-Y52 PolarHBondContact O-N 3.46Å; Y52-A147 VanDerWaalsContact OH-CA 3.25Å; Y52-A147 WeakPolarHBondContact OH-CA 3.47Å; Y52-A147 WeakPolarHBondContact OH-CB 3.43Å; Y52-V150 HydrophobicContact CD1-CG2 3.63Å; Y52-V150 HydrophobicContact CE1-CG2 3.62Å; Y52-V150 HydrophobicContact CG-CG2 4.38Å; Y52-P153 HydrophobicContact CD2-CG 4.36Å; Y52-P153 HydrophobicContact CE2-CG 3.87Å; Y52-P153 WeakPolarHBondContact CE2-O 3.45Å; Y52-P153 PolarHBondContact OH-O 3.39Å |
| 53 | R | 69.8 | Low | 61.1 | Low | 29 Ų | 29 | 65 Ų | 65 | 11% | 0.109 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -79.4 | -32.9 | 179.1 | -62.6 | -174.3 | -177 | 114.8 | -2.3 | 112.6 | E10 Y25 Y46 F49 A50 N1616 Y1617 | E10-R53 IonicContact OE1-NH2 2.78Å; E10-R53 IonicContact OE2-NH2 3.75Å; E10-R53 PolarHBondContact OE2-NH2 3.11Å; Y25-R53 PolarHBondContact OH-NH2 3.27Å; Y46-R53 PolarHBondContact O-NH1 2.81Å; F49-R53 PolarHBondContact O-N 2.96Å; A50-R53 PolarHBondContact O-N 3.04Å; R53-N1616 PolarHBondContact O-ND2 3.24Å; R53-Y1617 HydrophobicContact CG-CE2 4.3Å |
| 54 | N | 62 | Low | 57.9 | Low | 132 Ų | 132 | 67.3 Ų | 67.3 | 71% | 0.706 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -93.2 | -34.2 | -174.3 | -64.1 | -5.4 | 0 | 0 | 0 | 113.4 | A50 G56 | A50-N54 WeakPolarHBondContact O-CB 3.41Å; A50-N54 PolarHBondContact O-N 2.9Å; N54-G56 PolarHBondContact O-N 2.85Å; N54-G56 VanDerWaalsContact O-N 3.12Å |
| 55 | S | 60.6 | Low | 54.9 | Low | 54 Ų | 54 | 65 Ų | 65 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -63 | -18.2 | 178.3 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | A51 S57 | A51-S55 WeakPolarHBondContact O-CB 3.47Å; A51-S55 PolarHBondContact O-N 3.14Å; A51-S55 PolarHBondContact O-OG 2.94Å; S55-S57 WeakPolarHBondContact O-CA 3.43Å; S55-S57 PolarHBondContact O-N 3.04Å |
| 56 | G | 47.3 | Very low | 52 | Low | 47 Ų | 47 | 68.6 Ų | 68.6 | 49% | 0.485 | 40% | 0.404 | S | S | . | . | | | trans | 56.8 | 15.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | N54 V58 | N54-G56 PolarHBondContact O-N 2.85Å; N54-G56 VanDerWaalsContact O-N 3.12Å; G56-V58 WeakPolarHBondContact O-CG2 3.44Å; G56-V58 PolarHBondContact O-N 3.3Å |
| 57 | S | 40 | Very low | 49.3 | Very low | 36 Ų | 36 | 75.2 Ų | 75.2 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | | | trans | -73.9 | 99.8 | -144.9 | -169.4 | 0 | 0 | 0 | 0 | 112.9 | S55 L59 | S55-S57 WeakPolarHBondContact O-CA 3.43Å; S55-S57 PolarHBondContact O-N 3.04Å; S57-L59 PolarHBondContact O-N 2.93Å; S57-L59 WeakPolarHBondContact OG-CG 3.43Å |
| 58 | V | 34 | Very low | 46.5 | Very low | 85 Ų | 85 | 77 Ų | 77 | 52% | 0.515 | 43% | 0.431 | S | S | . | . | | | trans | -73.3 | 50.2 | 165.1 | -171.4 | 0 | 0 | 0 | 0 | 109.6 | P2 G56 T60 | P2-V58 HydrophobicContact CB-CB 4.15Å; P2-V58 HydrophobicContact CB-CG1 3.73Å; P2-V58 HydrophobicContact CB-CG2 3.88Å; P2-V58 HydrophobicContact CG-CB 4.38Å; P2-V58 HydrophobicContact CG-CG1 3.74Å; P2-V58 HydrophobicContact CG-CG2 3.85Å; G56-V58 WeakPolarHBondContact O-CG2 3.44Å; G56-V58 PolarHBondContact O-N 3.3Å; V58-T60 PolarHBondContact O-N 3.39Å; V58-T60 PolarHBondContact O-OG1 3.44Å |
| 59 | L | 29.9 | Very low | 43.8 | Very low | 87 Ų | 87 | 81.8 Ų | 81.8 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | | | trans | -70.6 | 85.7 | 167.2 | -92.5 | 171.7 | 0 | 0 | 0 | 107.9 | S3 S57 A61 L146 S149 | S3-L59 WeakPolarHBondContact CB-O 3.47Å; S57-L59 PolarHBondContact O-N 2.93Å; S57-L59 WeakPolarHBondContact OG-CG 3.43Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 2.73Å; L59-L146 HydrophobicContact CB-CD1 3.87Å; L59-L146 HydrophobicContact CD1-CD1 3.84Å; L59-S149 WeakPolarHBondContact CD1-OG 3.4Å |
| 60 | T | 30.9 | Very low | 41.1 | Very low | 73 Ų | 73 | 89 Ų | 89 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | | | trans | -68.9 | 94.4 | -178 | -51.2 | 0 | 0 | 0 | 0 | 107.8 | V58 M62 | V58-T60 PolarHBondContact O-N 3.39Å; V58-T60 PolarHBondContact O-OG1 3.44Å; T60-M62 HydrophobicContact CG2-CG 3.47Å; T60-M62 VanDerWaalsContact CG2-CG 3.47Å; T60-M62 HydrophobicContact CG2-SD 4.2Å; T60-M62 PolarHBondContact O-N 2.88Å |
| 61 | A | 28.2 | Very low | 38.7 | Very low | 41 Ų | 41 | 94.9 Ų | 94.9 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | | | trans | -71 | 71.5 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | S3 L59 L63 T142 | S3-A61 PolarHBondContact OG-N 3.22Å; L59-A61 VanDerWaalsContact C-N 3.35Å; L59-A61 PolarHBondContact O-N 2.73Å; A61-L63 PolarHBondContact O-N 2.74Å; A61-T142 HydrophobicContact CB-CG2 4.45Å |
| 62 | M | 26 | Very low | 36.8 | Very low | 121 Ų | 121 | 98.7 Ų | 98.7 | 60% | 0.596 | 53% | 0.527 | S | S | * | . | | | trans | -74.4 | 67.5 | 171.7 | -58 | -157 | 90.9 | 0 | 0 | 110.1 | T60 P64 W2025 | T60-M62 HydrophobicContact CG2-CG 3.47Å; T60-M62 VanDerWaalsContact CG2-CG 3.47Å; T60-M62 HydrophobicContact CG2-SD 4.2Å; T60-M62 PolarHBondContact O-N 2.88Å; M62-P64 WeakPolarHBondContact O-CD 3.2Å; M62-W2025 HydrophobicContact CB-CZ2 4.23Å; M62-W2025 HydrophobicContact CE-CH2 3.5Å; M62-W2025 HydrophobicContact CE-CZ2 3.43Å; M62-W2025 VanDerWaalsContact CE-CZ2 3.43Å; M62-W2025 HydrophobicContact SD-CH2 4.38Å; M62-W2025 HydrophobicContact SD-CZ2 3.69Å |
| 63 | L | 24.1 | Very low | 34.5 | Very low | 113 Ų | 113 | 103.9 Ų | 103.9 | 59% | 0.592 | 56% | 0.563 | S | S | * | * | | | trans | -73.6 | 110.2 | 142.3 | -81.4 | 142.7 | 0 | 0 | 0 | 105.6 | A61 | A61-L63 PolarHBondContact O-N 2.74Š|
| 64 | P | 23.9 | Very low | 32.5 | Very low | 57 Ų | 57 | 108 Ų | 108 | 37% | 0.37 | 59% | 0.586 | S | S | . | * | | | trans | -61 | 141.2 | 176.8 | -20.2 | 33.7 | 0 | 0 | 0 | 109.3 | M62 V66 W2025 | M62-P64 WeakPolarHBondContact O-CD 3.2Å; P64-V66 PolarHBondContact O-N 3.35Å; P64-W2025 HydrophobicContact CB-CH2 4.49Å; P64-W2025 HydrophobicContact CG-CH2 4.3Å; P64-W2025 HydrophobicContact CG-CZ2 4.4Å |
| 65 | P | 26.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 107 Ų | 107 | 73% | 0.727 | 59% | 0.59 | S | S | * | * | | | trans | -62.3 | 114.6 | 170.7 | 26.6 | -32.5 | 0 | 0 | 0 | 108.1 | R67 | P65-R67 PolarHBondContact O-N 2.73Š|
| 66 | V | 27 | Very low | 29.1 | Very low | 104 Ų | 104 | 109.1 Ų | 109.1 | 63% | 0.63 | 60% | 0.602 | S | S | * | * | | | trans | -73.6 | 68.1 | -178.1 | -171.8 | 0 | 0 | 0 | 0 | 110.4 | P64 K68 | P64-V66 PolarHBondContact O-N 3.35Å; V66-K68 PolarHBondContact O-N 3.18Å |
| 67 | R | 28.5 | Very low | 28.2 | Very low | 229 Ų | 229 | 115.5 Ų | 115.5 | 86% | 0.864 | 62% | 0.619 | S | S | * | * | | | trans | -82.5 | 90 | 159.1 | -74.1 | -174.6 | 175.9 | 172.9 | -1.1 | 107.5 | P65 L69 | P65-R67 PolarHBondContact O-N 2.73Å; R67-L69 PolarHBondContact O-N 2.92Å; R67-L69 VanDerWaalsContact O-N 3.11Å |
| 68 | K | 27.1 | Very low | 27.5 | Very low | 143 Ų | 143 | 119.9 Ų | 119.9 | 62% | 0.622 | 65% | 0.65 | S | S | * | * | | | trans | -61.5 | 109.5 | 158.3 | -84.6 | -169.6 | 170.7 | -170.2 | 0 | 108.5 | V66 H2029 | V66-K68 PolarHBondContact O-N 3.18Å; K68-H2029 PolarHBondContact NZ-CE1 3Å; K68-H2029 VanDerWaalsContact NZ-CE1 3.26Å; K68-H2029 PolarHBondContact NZ-NE2 3.35Å |
| 69 | L | 27.6 | Very low | 27.2 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 67% | 0.667 | S | S | * | * | | | trans | -150 | 157.4 | 150.6 | -112.8 | 163.4 | 0 | 0 | 0 | 108 | R67 | R67-L69 PolarHBondContact O-N 2.92Å; R67-L69 VanDerWaalsContact O-N 3.11Å |
| 70 | H | 26.2 | Very low | 27.1 | Very low | 156 Ų | 156 | 127 Ų | 127 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | | | trans | -73.6 | 165.5 | -159.5 | -105.7 | -99.4 | 0 | 0 | 0 | 115.2 | | |
| 71 | E | 27.3 | Very low | 27.1 | Very low | 160 Ų | 160 | 131 Ų | 131 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | | | trans | 59.8 | 97.4 | 159.2 | -79.6 | 119.2 | -128.8 | 0 | 0 | 119 | | |
| 72 | L | 31 | Very low | 27.3 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | | | trans | -65.2 | 155.9 | 149.5 | -64.3 | 159.1 | 0 | 0 | 0 | 110.7 | I74 | L72-I74 HydrophobicContact CB-CG1 4.29Å; L72-I74 HydrophobicContact CD1-CD1 3.88Å; L72-I74 HydrophobicContact CD1-CG1 4.21Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CD2-CG1 4.29Å |
| 73 | P | 27.2 | Very low | 27.4 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | | | trans | -115.1 | 98.3 | 136.5 | 32.9 | -26.9 | 0 | 0 | 0 | 109.8 | | |
| 74 | I | 27.4 | Very low | 27.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 59% | 0.59 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 119.7 | 161.7 | -64.5 | 177.6 | 0 | 0 | 0 | 106.5 | L72 | L72-I74 HydrophobicContact CB-CG1 4.29Å; L72-I74 HydrophobicContact CD1-CD1 3.88Å; L72-I74 HydrophobicContact CD1-CG1 4.21Å; L72-I74 HydrophobicContact CD2-CD1 4.46Å; L72-I74 HydrophobicContact CD2-CG1 4.29Å |
| 75 | S | 23.9 | Very low | 27.6 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 131 | 171.5 | -171 | 0 | 0 | 0 | 0 | 109.5 | | |
| 76 | P | 28.3 | Very low | 27.7 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78 | 146.7 | -172.2 | 30.1 | -35.1 | 0 | 0 | 0 | 113.9 | | |
| 77 | E | 28.3 | Very low | 27.6 | Very low | 180 Ų | 180 | 136.3 Ų | 136.3 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | | | trans | 58.6 | 128 | 139.6 | -62 | -178.6 | 132.8 | 0 | 0 | 122.1 | | |
| 78 | S | 25.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 90% | 0.902 | 71% | 0.711 | S | S | * | * | | | trans | -152 | 75.3 | 143.5 | -78.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 79 | R | 26.6 | Very low | 27.6 | Very low | 227 Ų | 227 | 126 Ų | 126 | 86% | 0.857 | 70% | 0.698 | S | S | * | * | | | trans | -154.3 | 81.3 | 169.8 | -144.4 | -176.2 | -156.4 | -117.2 | 2.4 | 114.1 | | |
| 80 | A | 28.5 | Very low | 27.4 | Very low | 93 Ų | 93 | 122.2 Ų | 122.2 | 77% | 0.769 | 68% | 0.676 | S | S | * | * | | | trans | 179.9 | 103.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 81 | L | 30.4 | Very low | 27.4 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | | | trans | -157.3 | 131.4 | 169.3 | -81 | -167.1 | 0 | 0 | 0 | 108 | | |
| 82 | L | 33.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 59% | 0.592 | 69% | 0.686 | S | S | * | * | | | cis | -140 | 159.8 | -8.2 | -52.6 | 93.9 | 0 | 0 | 0 | 110.5 | D84 | L82-D84 VanDerWaalsContact CD2-OD1 3.29Å; L82-D84 WeakPolarHBondContact CD2-OD1 3.5Å |
| 83 | S | 27.1 | Very low | 27.2 | Very low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | S | Bend | | -159.5 | 131.7 | 102.7 | 39.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 84 | D | 27.4 | Very low | 27.1 | Very low | 103 Ų | 103 | 124.1 Ų | 124.1 | 55% | 0.551 | 69% | 0.69 | S | S | * | * | | | cis | -160.4 | 153.1 | -17.5 | -124 | -50.6 | 0 | 0 | 0 | 112.9 | L82 | L82-D84 VanDerWaalsContact CD2-OD1 3.29Å; L82-D84 WeakPolarHBondContact CD2-OD1 3.5Å |
| 85 | T | 24.6 | Very low | 27.4 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 70% | 0.697 | S | S | * | * | | | trans | 62.1 | 158.7 | 159.6 | 56.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 86 | P | 28.3 | Very low | 27.8 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 62% | 0.617 | 69% | 0.689 | S | S | * | * | | | cis | -144.7 | 162.5 | -32.2 | 37.5 | -19.6 | 0 | 0 | 0 | 117.8 | | |
| 87 | N | 24.6 | Very low | 28 | Very low | 113 Ų | 113 | 129 Ų | 129 | 60% | 0.604 | 69% | 0.693 | S | S | * | * | | | trans | 65.9 | 159.9 | 136.6 | -69.8 | -9.8 | 0 | 0 | 0 | 125.2 | | |
| 88 | I | 28.9 | Very low | 27.7 | Very low | 90 Ų | 90 | 127.5 Ų | 127.5 | 46% | 0.462 | 69% | 0.69 | S | S | . | * | B | Isolated β-bridge | trans | 64.1 | 146.2 | 151.8 | -78.6 | 160.5 | 0 | 0 | 0 | 116.9 | F307 I308 | I88-F307 VanDerWaalsContact C-CD1 3.46Å; I88-F307 HydrophobicContact CG2-CD1 4.32Å; I88-F307 HydrophobicContact CG2-CE1 3.84Å; I88-F307 HydrophobicContact CG2-CE2 4.12Å; I88-F307 HydrophobicContact CG2-CZ 3.73Å; I88-F307 CarbonylContact O-C 3.59Å; I88-F307 VanDerWaalsContact O-C 3.28Å; I88-F307 WeakPolarHBondContact O-CA 3.42Å; I88-F307 WeakPolarHBondContact O-CB 3.13Å; I88-F307 WeakPolarHBondContact O-CD1 3.32Å; I88-F307 WeakPolarHBondContact O-CG 3.21Å; I88-I308 CarbonylContact C-O 3.52Å; I88-I308 WeakPolarHBondContact CA-O 3.46Å; I88-I308 PolarHBondContact N-O 3.22Å; I88-I308 PolarHBondContact O-N 2.94Å |
| 89 | I | 26.6 | Very low | 27.8 | Very low | 66 Ų | 66 | 126.4 Ų | 126.4 | 34% | 0.338 | 68% | 0.679 | S | S | . | * | | | cis | -150.3 | 115.3 | -46.6 | -130.8 | 170.3 | 0 | 0 | 0 | 114.1 | F307 I308 A310 | I89-F307 WeakPolarHBondContact O-CD2 3.12Å; I89-I308 VanDerWaalsContact CA-O 3.24Å; I89-I308 WeakPolarHBondContact CA-O 3.08Å; I89-I308 PolarHBondContact N-O 3.42Å; I89-A310 HydrophobicContact CD1-CB 3.87Å; I89-A310 HydrophobicContact CG1-CB 4.42Å |
| 90 | Q | 25 | Very low | 27.7 | Very low | 88 Ų | 88 | 123.5 Ų | 123.5 | 41% | 0.411 | 68% | 0.679 | S | S | . | * | | | trans | 70.2 | 142.1 | 153.6 | -72.8 | 166.2 | -122.8 | 0 | 0 | 125.9 | F307 | Q90-F307 PolarHBondContact N-O 3.4Å; Q90-F307 VanDerWaalsContact N-O 3.13Å |
| 91 | R | 24.6 | Very low | 27.6 | Very low | 226 Ų | 226 | 124.8 Ų | 124.8 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | | | trans | 76 | 150.8 | 134.1 | -76.4 | 178.1 | -168.3 | 173.8 | 3.7 | 123.1 | | |
| 92 | S | 30.2 | Very low | 27.4 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 68% | 0.675 | S | S | * | * | | | trans | -88.1 | 151.9 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 93 | S | 24.2 | Very low | 26.9 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | | | trans | -132.7 | 121.8 | 153.6 | 59.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 94 | D | 25.7 | Very low | 26.7 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 66% | 0.656 | S | S | * | * | | | trans | 59 | 153.2 | 142 | -67.1 | -68.5 | 0 | 0 | 0 | 124.2 | | |
| 95 | H | 32.9 | Very low | 26.5 | Very low | 157 Ų | 157 | 118.5 Ų | 118.5 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | | | trans | 75.5 | 83.9 | 157.9 | -82.6 | 46.1 | 0 | 0 | 0 | 119.3 | | |
| 96 | N | 32.6 | Very low | 26.4 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | | | | 94.1 | 81.2 | 125.2 | -68.9 | -30.5 | 0 | 0 | 0 | 119.7 | | |
| 97 | Q | 33.2 | Very low | 26.6 | Very low | 156 Ų | 156 | 120.6 Ų | 120.6 | 73% | 0.729 | 65% | 0.652 | S | S | * | * | | | trans | 75.4 | 120.7 | 138.2 | -43.2 | -163.7 | 20.2 | 0 | 0 | 114.3 | | |
| 98 | N | 23 | Very low | 26.6 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | | | | 52.2 | 134.1 | 65.2 | -58.8 | -28.3 | 0 | 0 | 0 | 111 | | |
| 99 | T | 26.8 | Very low | 26.4 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | | | cis | -151.9 | 161.4 | 36 | -42.8 | 0 | 0 | 0 | 0 | 110.9 | T101 | T99-T101 PolarHBondContact O-N 3.36Š|
| 100 | L | 24.5 | Very low | 26.4 | Very low | 165 Ų | 165 | 127.6 Ų | 127.6 | 86% | 0.864 | 69% | 0.687 | S | S | * | * | | | trans | -54.6 | 108.7 | 153.7 | -83.5 | 65.5 | 0 | 0 | 0 | 109.1 | | |
| 101 | T | 25.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 127.3 Ų | 127.3 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | | | trans | -115.5 | 79.5 | 159.2 | 40.4 | 0 | 0 | 0 | 0 | 109.9 | T99 Q103 | T99-T101 PolarHBondContact O-N 3.36Å; T101-Q103 PolarHBondContact O-N 2.89Å |
| 102 | S | 25.4 | Very low | 26.6 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | | | trans | -53.1 | 97.8 | 156 | 52.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 103 | Q | 23.5 | Very low | 26.4 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | | | trans | -157.7 | 125.6 | 164.9 | -121.8 | 160.9 | 76.7 | 0 | 0 | 110.9 | T101 S105 | T101-Q103 PolarHBondContact O-N 2.89Å; Q103-S105 PolarHBondContact O-N 3.5Å |
| 104 | S | 23.6 | Very low | 26.6 | Very low | 46 Ų | 46 | 123.2 Ų | 123.2 | 32% | 0.322 | 68% | 0.682 | S | S | . | * | | | trans | -70.4 | 120.3 | 152.2 | 138.3 | 0 | 0 | 0 | 0 | 105.9 | N273 Q274 | S104-N273 CarbonylContact C-O 2.98Å; S104-N273 WeakPolarHBondContact CB-O 3.11Å; S104-N273 PolarHBondContact OG-O 3.17Å; S104-Q274 PolarHBondContact OG-NE2 3.46Å |
| 105 | S | 22.6 | Very low | 26.6 | Very low | 56 Ų | 56 | 121.9 Ų | 121.9 | 39% | 0.392 | 68% | 0.679 | S | S | . | * | | | trans | -160.3 | 126.4 | 161.8 | -83.4 | 0 | 0 | 0 | 0 | 111.8 | Q103 Q274 | Q103-S105 PolarHBondContact O-N 3.5Å; S105-Q274 WeakPolarHBondContact OG-CG 3.36Å |
| 106 | T | 23.3 | Very low | 26.4 | Very low | 86 Ų | 86 | 120.9 Ų | 120.9 | 53% | 0.528 | 69% | 0.685 | S | S | . | * | | | trans | 37.9 | 114.6 | 150.7 | 57.9 | 0 | 0 | 0 | 0 | 118.7 | Q274 | T106-Q274 VanDerWaalsContact CG2-OE1 3.3Å; T106-Q274 VanDerWaalsContact N-OE1 3.13Å |
| 107 | L | 31.2 | Very low | 26.1 | Very low | 168 Ų | 168 | 121.1 Ų | 121.1 | 88% | 0.88 | 70% | 0.695 | S | S | * | * | | | | -156.1 | 147 | 85.8 | -143.7 | 64.7 | 0 | 0 | 0 | 112.2 | | |
| 108 | A | 25.8 | Very low | 25.7 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 59% | 0.587 | 70% | 0.699 | S | S | * | * | | | trans | -115 | 164.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 109 | N | 23.9 | Very low | 25.9 | Very low | 137 Ų | 137 | 115.2 Ų | 115.2 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | | | trans | 75.8 | 142.4 | -170.8 | -43.9 | -69 | 0 | 0 | 0 | 113 | | |
| 110 | Y | 27.3 | Very low | 26 | Very low | 208 Ų | 208 | 115.8 Ų | 115.8 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | | | cis | -104.1 | 132.5 | 13.7 | -92 | -105.1 | 0 | 0 | 0 | 115.2 | | |
| 111 | C | 24.8 | Very low | 26.3 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 55% | 0.554 | 70% | 0.702 | S | S | * | * | | | trans | -101.3 | 127.4 | 150.5 | 173.6 | 0 | 0 | 0 | 0 | 108 | S113 | C111-S113 PolarHBondContact O-N 2.9Š|
| 112 | P | 29.2 | Very low | 26.9 | Very low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 70% | 0.699 | S | S | * | * | | | trans | -72.9 | 107.1 | 158.6 | 30.4 | -29 | 0 | 0 | 0 | 107.9 | | |
| 113 | S | 24.8 | Very low | 27.5 | Very low | 73 Ų | 73 | 114.9 Ų | 114.9 | 51% | 0.51 | 68% | 0.679 | S | S | . | * | | | trans | -53.4 | 147.2 | 168.4 | -44.5 | 0 | 0 | 0 | 0 | 109.5 | C111 | C111-S113 PolarHBondContact O-N 2.9Š|
| 114 | I | 29.3 | Very low | 28 | Very low | 171 Ų | 171 | 109.9 Ų | 109.9 | 88% | 0.877 | 66% | 0.659 | S | S | * | * | | | | -132.1 | 155.6 | 70.3 | -77.1 | 153.8 | 0 | 0 | 0 | 112.9 | | |
| 115 | T | 25.3 | Very low | 28.4 | Very low | 118 Ų | 118 | 108 Ų | 108 | 72% | 0.724 | 65% | 0.646 | S | S | * | * | | | trans | -88.2 | 138 | -172 | 49.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 116 | T | 28.3 | Very low | 29 | Very low | 137 Ų | 137 | 107.3 Ų | 107.3 | 84% | 0.84 | 64% | 0.643 | S | S | * | * | | | trans | -137.3 | 146.3 | 132.6 | 45.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 117 | S | 26.5 | Very low | 29.7 | Very low | 119 Ų | 119 | 108.9 Ų | 108.9 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | | | trans | -122.6 | 97 | -163.2 | 57 | 0 | 0 | 0 | 0 | 113.2 | | |
| 118 | S | 24.6 | Very low | 30.2 | Very low | 115 Ų | 115 | 101.8 Ų | 101.8 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | | | trans | -161.3 | 54.8 | 165 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 119 | G | 27.8 | Very low | 31.2 | Very low | 65 Ų | 65 | 101.9 Ų | 101.9 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | | | trans | -60 | 139.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L121 | G119-L121 PolarHBondContact O-N 2.92Š|
| 120 | P | 29 | Very low | 32.4 | Very low | 120 Ų | 120 | 100.2 Ų | 100.2 | 78% | 0.779 | 59% | 0.586 | S | S | * | * | | | trans | -60.8 | 128.9 | -175.5 | 24.9 | -33.7 | 0 | 0 | 0 | 109.9 | I122 | P120-I122 PolarHBondContact O-N 3.23Š|
| 121 | L | 30.5 | Very low | 33.7 | Very low | 178 Ų | 178 | 93.5 Ų | 93.5 | 93% | 0.932 | 57% | 0.566 | S | S | * | * | | | trans | -60.7 | 98.1 | 173.3 | -80 | 165.7 | 0 | 0 | 0 | 108.7 | G119 N123 | G119-L121 PolarHBondContact O-N 2.92Å; L121-N123 PolarHBondContact O-N 2.75Å |
| 122 | I | 37.6 | Very low | 35.1 | Very low | 132 Ų | 132 | 90.2 Ų | 90.2 | 68% | 0.677 | 55% | 0.545 | S | S | * | . | | | trans | -59.8 | 107 | 169.3 | -62.4 | 176 | 0 | 0 | 0 | 105.8 | P120 T124 | P120-I122 PolarHBondContact O-N 3.23Å; I122-T124 VanDerWaalsContact C-N 3.26Å; I122-T124 PolarHBondContact O-N 2.96Å; I122-T124 PolarHBondContact O-OG1 3.01Å |
| 123 | N | 38.7 | Very low | 36.5 | Very low | 69 Ų | 69 | 85.9 Ų | 85.9 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | | | trans | -68.4 | 92.6 | 174.3 | -179 | -18.8 | 0 | 0 | 0 | 107.4 | L121 A125 A126 H127 | L121-N123 PolarHBondContact O-N 2.75Å; N123-A125 PolarHBondContact O-N 2.89Å; N123-A125 VanDerWaalsContact OD1-CB 3.32Å; N123-A125 WeakPolarHBondContact OD1-CB 3.4Å; N123-A125 PolarHBondContact OD1-N 2.95Å; N123-A125 VanDerWaalsContact OD1-N 3.13Å; N123-A126 HydrophobicContact CB-CB 3.8Å; N123-A126 WeakPolarHBondContact O-CA 3.32Å; N123-A126 WeakPolarHBondContact O-CB 3.4Å; N123-A126 PolarHBondContact O-N 3.42Å; N123-A126 PolarHBondContact OD1-N 2.74Å; N123-H127 PolarHBondContact O-N 3.12Å |
| 124 | T | 33.4 | Very low | 38.4 | Very low | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.258 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.3 | -25.1 | -177.8 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | I122 S128 M265 | I122-T124 VanDerWaalsContact C-N 3.26Å; I122-T124 PolarHBondContact O-N 2.96Å; I122-T124 PolarHBondContact O-OG1 3.01Å; T124-S128 WeakPolarHBondContact O-CB 3.17Å; T124-S128 PolarHBondContact O-N 3.44Å; T124-S128 PolarHBondContact O-OG 2.7Å; T124-M265 HydrophobicContact CG2-CB 4.48Å |
| 125 | A | 32.7 | Very low | 40 | Very low | 6 Ų | 6 | 80.2 Ų | 80.2 | 5% | 0.05 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -77.9 | -42.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N123 H127 S128 Y129 T264 | N123-A125 PolarHBondContact O-N 2.89Å; N123-A125 VanDerWaalsContact OD1-CB 3.32Å; N123-A125 WeakPolarHBondContact OD1-CB 3.4Å; N123-A125 PolarHBondContact OD1-N 2.95Å; N123-A125 VanDerWaalsContact OD1-N 3.13Å; A125-H127 PolarHBondContact O-N 3.38Å; A125-S128 CarbonylContact O-C 3.59Å; A125-S128 PolarHBondContact O-N 2.93Å; A125-S128 VanDerWaalsContact O-N 3.17Å; A125-Y129 WeakPolarHBondContact O-CA 3.26Å; A125-Y129 WeakPolarHBondContact O-CB 3.37Å; A125-Y129 PolarHBondContact O-N 2.93Å; A125-T264 WeakPolarHBondContact CA-O 3.39Å; A125-T264 WeakPolarHBondContact CB-O 3.09Å; A125-T264 PolarHBondContact N-O 2.71Å |
| 126 | A | 35.5 | Very low | 42 | Very low | 41 Ų | 41 | 75.2 Ų | 75.2 | 34% | 0.339 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.6 | -39.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | N123 N130 | N123-A126 HydrophobicContact CB-CB 3.8Å; N123-A126 WeakPolarHBondContact O-CA 3.32Å; N123-A126 WeakPolarHBondContact O-CB 3.4Å; N123-A126 PolarHBondContact O-N 3.42Å; N123-A126 PolarHBondContact OD1-N 2.74Å; A126-N130 VanDerWaalsContact O-CB 3.24Å; A126-N130 WeakPolarHBondContact O-CB 3.16Å; A126-N130 PolarHBondContact O-N 3.05Å; A126-N130 PolarHBondContact O-ND2 2.78Å; A126-N130 PolarHBondContact O-OD1 2.76Å |
| 127 | H | 37.9 | Very low | 43.9 | Very low | 120 Ų | 120 | 73.8 Ų | 73.8 | 56% | 0.556 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | 173.2 | -158.8 | -20.8 | 0 | 0 | 0 | 112.7 | N123 A125 Y129 N130 T131 | N123-H127 PolarHBondContact O-N 3.12Å; A125-H127 PolarHBondContact O-N 3.38Å; H127-Y129 VanDerWaalsContact C-N 3.34Å; H127-Y129 PolarHBondContact O-N 3.19Å; H127-N130 PolarHBondContact O-N 3.41Å; H127-T131 PolarHBondContact ND1-OG1 3.15Å; H127-T131 PolarHBondContact O-N 3.11Å; H127-T131 PolarHBondContact O-OG1 2.63Å |
| 128 | S | 40.7 | Very low | 46.1 | Very low | 18 Ų | 18 | 70.9 Ų | 70.9 | 13% | 0.126 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.3 | -34.5 | 178.9 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | T124 A125 A132 | T124-S128 WeakPolarHBondContact O-CB 3.17Å; T124-S128 PolarHBondContact O-N 3.44Å; T124-S128 PolarHBondContact O-OG 2.7Å; A125-S128 CarbonylContact O-C 3.59Å; A125-S128 PolarHBondContact O-N 2.93Å; A125-S128 VanDerWaalsContact O-N 3.17Å; S128-A132 VanDerWaalsContact O-CB 3.25Å; S128-A132 WeakPolarHBondContact O-CB 3.23Å; S128-A132 PolarHBondContact O-N 3.09Å |
| 129 | Y | 46.6 | Very low | 48.5 | Very low | 73 Ų | 73 | 65.4 Ų | 65.4 | 29% | 0.286 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.5 | -48.5 | 172.2 | 168.2 | -88.4 | 0 | 0 | 0 | 110.2 | A125 H127 T131 A132 S133 T213 R215 | A125-Y129 WeakPolarHBondContact O-CA 3.26Å; A125-Y129 WeakPolarHBondContact O-CB 3.37Å; A125-Y129 PolarHBondContact O-N 2.93Å; H127-Y129 VanDerWaalsContact C-N 3.34Å; H127-Y129 PolarHBondContact O-N 3.19Å; Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 3.16Å; Y129-A132 PolarHBondContact O-N 3.07Å; Y129-S133 WeakPolarHBondContact O-CB 3.43Å; Y129-S133 PolarHBondContact O-N 2.92Å; Y129-T213 HydrophobicContact CD2-CG2 4.33Å; Y129-R215 HydrophobicContact CD2-CG 4.4Å; Y129-R215 HydrophobicContact CE2-CB 3.85Å; Y129-R215 HydrophobicContact CE2-CG 3.77Å |
| 130 | N | 50.9 | Low | 51 | Low | 103 Ų | 103 | 64.1 Ų | 64.1 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.5 | -40 | 177.1 | -73.9 | -15.1 | 0 | 0 | 0 | 111.2 | A126 H127 G134 | A126-N130 VanDerWaalsContact O-CB 3.24Å; A126-N130 WeakPolarHBondContact O-CB 3.16Å; A126-N130 PolarHBondContact O-N 3.05Å; A126-N130 PolarHBondContact O-ND2 2.78Å; A126-N130 PolarHBondContact O-OD1 2.76Å; H127-N130 PolarHBondContact O-N 3.41Å; N130-G134 PolarHBondContact O-N 2.93Å |
| 131 | T | 53.7 | Low | 53.4 | Low | 67 Ų | 67 | 60.6 Ų | 60.6 | 41% | 0.411 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 174.3 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | H127 Y129 G134 N135 | H127-T131 PolarHBondContact ND1-OG1 3.15Å; H127-T131 PolarHBondContact O-N 3.11Å; H127-T131 PolarHBondContact O-OG1 2.63Å; Y129-T131 VanDerWaalsContact C-N 3.3Å; Y129-T131 PolarHBondContact O-N 3.16Å; T131-G134 PolarHBondContact O-N 3.37Å; T131-N135 PolarHBondContact O-N 2.83Å; T131-N135 PolarHBondContact O-OD1 3.05Å |
| 132 | A | 53.3 | Low | 55.7 | Low | 13 Ų | 13 | 53.6 Ų | 53.6 | 11% | 0.107 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S128 Y129 N135 T136 | S128-A132 VanDerWaalsContact O-CB 3.25Å; S128-A132 WeakPolarHBondContact O-CB 3.23Å; S128-A132 PolarHBondContact O-N 3.09Å; Y129-A132 PolarHBondContact O-N 3.07Å; A132-N135 PolarHBondContact O-N 3.47Å; A132-T136 PolarHBondContact O-N 2.71Å; A132-T136 PolarHBondContact O-OG1 3.34Å |
| 133 | S | 60.4 | Low | 57.8 | Low | 23 Ų | 23 | 47.3 Ų | 47.3 | 16% | 0.161 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -43.1 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | Y129 N135 T136 L137 | Y129-S133 WeakPolarHBondContact O-CB 3.43Å; Y129-S133 PolarHBondContact O-N 2.92Å; S133-N135 PolarHBondContact O-N 3.31Å; S133-T136 WeakPolarHBondContact O-CB 3.46Å; S133-T136 PolarHBondContact O-N 2.81Å; S133-L137 WeakPolarHBondContact O-CB 3.28Å; S133-L137 VanDerWaalsContact O-CG 3.29Å; S133-L137 WeakPolarHBondContact O-CG 3.46Å; S133-L137 PolarHBondContact O-N 2.99Å |
| 134 | G | 63.9 | Low | 60 | Low | 34 Ų | 34 | 45.6 Ų | 45.6 | 35% | 0.351 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N130 T131 L137 S138 | N130-G134 PolarHBondContact O-N 2.93Å; T131-G134 PolarHBondContact O-N 3.37Å; G134-L137 PolarHBondContact O-N 2.99Å; G134-S138 VanDerWaalsContact O-CB 3.23Å; G134-S138 WeakPolarHBondContact O-CB 3.49Å; G134-S138 PolarHBondContact O-N 2.85Å |
| 135 | N | 62.7 | Low | 62.3 | Low | 91 Ų | 91 | 48.9 Ų | 48.9 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 176.5 | -68.7 | -6.2 | 0 | 0 | 0 | 112.3 | T34 T131 A132 S133 S138 G139 | T34-N135 HydrophobicContact CG2-CB 4.4Å; T131-N135 PolarHBondContact O-N 2.83Å; T131-N135 PolarHBondContact O-OD1 3.05Å; A132-N135 PolarHBondContact O-N 3.47Å; S133-N135 PolarHBondContact O-N 3.31Å; N135-S138 PolarHBondContact O-N 3.39Å; N135-G139 PolarHBondContact O-N 2.77Å |
| 136 | T | 66.4 | Low | 64.4 | Low | 14 Ų | 14 | 49.6 Ų | 49.6 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.2 | -55.8 | 170.6 | -70 | 0 | 0 | 0 | 0 | 111 | A132 S133 S138 G139 L140 E158 R215 | A132-T136 PolarHBondContact O-N 2.71Å; A132-T136 PolarHBondContact O-OG1 3.34Å; S133-T136 WeakPolarHBondContact O-CB 3.46Å; S133-T136 PolarHBondContact O-N 2.81Å; T136-S138 VanDerWaalsContact C-N 3.33Å; T136-S138 PolarHBondContact O-N 2.8Å; T136-G139 PolarHBondContact O-N 2.85Å; T136-G139 VanDerWaalsContact O-N 3.13Å; T136-L140 PolarHBondContact O-N 2.74Å; T136-E158 VanDerWaalsContact CA-OE2 3.27Å; T136-E158 WeakPolarHBondContact CA-OE2 3.49Å; T136-E158 VanDerWaalsContact CB-OE1 3.29Å; T136-E158 WeakPolarHBondContact CB-OE1 3.42Å; T136-E158 HydrophobicContact CG2-CB 3.99Å; T136-E158 HydrophobicContact CG2-CG 4.28Å; T136-E158 WeakPolarHBondContact CG2-OE1 3.45Å; T136-E158 WeakPolarHBondContact CG2-OE2 3.16Å; T136-E158 PolarHBondContact OG1-OE1 2.86Å; T136-R215 PolarHBondContact OG1-NH2 2.89Å |
| 137 | L | 69.3 | Low | 66.7 | Low | 107 Ų | 107 | 47.7 Ų | 47.7 | 56% | 0.56 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | -177.5 | -73.3 | 164.7 | 0 | 0 | 0 | 111.6 | S133 G134 A141 | S133-L137 WeakPolarHBondContact O-CB 3.28Å; S133-L137 VanDerWaalsContact O-CG 3.29Å; S133-L137 WeakPolarHBondContact O-CG 3.46Å; S133-L137 PolarHBondContact O-N 2.99Å; G134-L137 PolarHBondContact O-N 2.99Å; L137-A141 WeakPolarHBondContact O-CB 3.44Å; L137-A141 PolarHBondContact O-N 2.76Å |
| 138 | S | 72.3 | Confident | 68.8 | Low | 57 Ų | 57 | 46.5 Ų | 46.5 | 40% | 0.399 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 174.2 | -171 | 0 | 0 | 0 | 0 | 112.2 | G134 N135 T136 T142 | G134-S138 VanDerWaalsContact O-CB 3.23Å; G134-S138 WeakPolarHBondContact O-CB 3.49Å; G134-S138 PolarHBondContact O-N 2.85Å; N135-S138 PolarHBondContact O-N 3.39Å; T136-S138 VanDerWaalsContact C-N 3.33Å; T136-S138 PolarHBondContact O-N 2.8Å; S138-T142 VanDerWaalsContact O-CB 3.32Å; S138-T142 WeakPolarHBondContact O-CB 3.4Å; S138-T142 PolarHBondContact O-N 2.96Å; S138-T142 PolarHBondContact O-OG1 2.87Å |
| 139 | G | 74.5 | Confident | 70.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -48.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T33 H39 N135 T136 A141 T142 A143 | T33-G139 WeakPolarHBondContact OG1-CA 3.31Å; H39-G139 PolarHBondContact CE1-O 2.88Å; N135-G139 PolarHBondContact O-N 2.77Å; T136-G139 PolarHBondContact O-N 2.85Å; T136-G139 VanDerWaalsContact O-N 3.13Å; G139-A141 VanDerWaalsContact C-N 3.33Å; G139-A141 PolarHBondContact O-N 3.44Å; G139-T142 PolarHBondContact O-N 3.17Å; G139-A143 WeakPolarHBondContact O-CB 3.33Å; G139-A143 PolarHBondContact O-N 2.77Å |
| 140 | L | 80.3 | Confident | 72.2 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 20% | 0.199 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 177.2 | -165 | 72.7 | 0 | 0 | 0 | 111.6 | T136 S144 P155 | T136-L140 PolarHBondContact O-N 2.74Å; L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.41Å; L140-S144 PolarHBondContact O-OG 2.91Å; L140-P155 HydrophobicContact CD1-CB 3.75Å; L140-P155 HydrophobicContact CD1-CG 3.64Å; L140-P155 HydrophobicContact CG-CG 4.38Å |
| 141 | A | 80.2 | Confident | 73.6 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L137 G139 A143 S144 N145 | L137-A141 WeakPolarHBondContact O-CB 3.44Å; L137-A141 PolarHBondContact O-N 2.76Å; G139-A141 VanDerWaalsContact C-N 3.33Å; G139-A141 PolarHBondContact O-N 3.44Å; A141-A143 PolarHBondContact O-N 2.9Å; A141-S144 PolarHBondContact O-N 2.72Å; A141-N145 WeakPolarHBondContact O-CB 3.36Å; A141-N145 VanDerWaalsContact O-CG 3.27Å; A141-N145 PolarHBondContact O-N 2.91Å; A141-N145 PolarHBondContact O-ND2 2.88Å |
| 142 | T | 79.3 | Confident | 75.1 | Confident | 30 Ų | 30 | 42.7 Ų | 42.7 | 18% | 0.184 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 178.7 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | T33 A61 S138 G139 N145 L146 | T33-T142 HydrophobicContact CG2-CG2 3.63Å; A61-T142 HydrophobicContact CB-CG2 4.45Å; S138-T142 VanDerWaalsContact O-CB 3.32Å; S138-T142 WeakPolarHBondContact O-CB 3.4Å; S138-T142 PolarHBondContact O-N 2.96Å; S138-T142 PolarHBondContact O-OG1 2.87Å; G139-T142 PolarHBondContact O-N 3.17Å; T142-N145 PolarHBondContact O-N 3.26Å; T142-L146 WeakPolarHBondContact O-CB 3.23Å; T142-L146 PolarHBondContact O-N 2.85Å |
| 143 | A | 79.9 | Confident | 76.7 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | P32 G139 A141 L146 A147 P155 | P32-A143 HydrophobicContact CG-CB 3.95Å; G139-A143 WeakPolarHBondContact O-CB 3.33Å; G139-A143 PolarHBondContact O-N 2.77Å; A141-A143 PolarHBondContact O-N 2.9Å; A143-L146 PolarHBondContact O-N 3.45Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.4Å; A143-P155 HydrophobicContact CB-CG 3.82Å |
| 144 | S | 85.3 | Confident | 78 | Confident | 32 Ų | 32 | 44.5 Ų | 44.5 | 22% | 0.224 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 174.7 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | L140 A141 A147 S148 | L140-S144 WeakPolarHBondContact O-CB 3.49Å; L140-S144 PolarHBondContact O-N 3.41Å; L140-S144 PolarHBondContact O-OG 2.91Å; A141-S144 PolarHBondContact O-N 2.72Å; S144-A147 WeakPolarHBondContact O-CB 3.49Å; S144-S148 WeakPolarHBondContact O-CB 3.46Å; S144-S148 PolarHBondContact O-N 2.81Å; S144-S148 PolarHBondContact O-OG 2.69Å |
| 145 | N | 81.8 | Confident | 79.2 | Confident | 111 Ų | 111 | 43.4 Ų | 43.4 | 59% | 0.594 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69.2 | -41.1 | 172.2 | -70.2 | -24.3 | 0 | 0 | 0 | 111.3 | A141 T142 S148 S149 | A141-N145 WeakPolarHBondContact O-CB 3.36Å; A141-N145 VanDerWaalsContact O-CG 3.27Å; A141-N145 PolarHBondContact O-N 2.91Å; A141-N145 PolarHBondContact O-ND2 2.88Å; T142-N145 PolarHBondContact O-N 3.26Å; N145-S148 PolarHBondContact O-N 2.92Å; N145-S149 PolarHBondContact O-N 2.93Å |
| 146 | L | 78.1 | Confident | 80.4 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -47.2 | 173 | -178.8 | 64.5 | 0 | 0 | 0 | 111.1 | L59 T142 A143 S148 S149 V150 | L59-L146 HydrophobicContact CB-CD1 3.87Å; L59-L146 HydrophobicContact CD1-CD1 3.84Å; T142-L146 WeakPolarHBondContact O-CB 3.23Å; T142-L146 PolarHBondContact O-N 2.85Å; A143-L146 PolarHBondContact O-N 3.45Å; L146-S148 VanDerWaalsContact C-N 3.32Å; L146-S148 PolarHBondContact O-N 3.13Å; L146-S149 PolarHBondContact O-N 2.88Å; L146-S149 VanDerWaalsContact O-N 3.12Å; L146-S149 PolarHBondContact O-OG 2.95Å; L146-V150 PolarHBondContact O-N 3.44Å |
| 147 | A | 82.8 | Confident | 81.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.1 | -51 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y52 A143 S144 S149 V150 G151 G152 A154 | Y52-A147 VanDerWaalsContact OH-CA 3.25Å; Y52-A147 WeakPolarHBondContact OH-CA 3.47Å; Y52-A147 WeakPolarHBondContact OH-CB 3.43Å; A143-A147 WeakPolarHBondContact O-CB 3.43Å; A143-A147 PolarHBondContact O-N 3.4Å; S144-A147 WeakPolarHBondContact O-CB 3.49Å; A147-S149 VanDerWaalsContact C-N 3.31Å; A147-S149 PolarHBondContact O-N 3.37Å; A147-V150 PolarHBondContact O-N 3.13Å; A147-G151 PolarHBondContact O-N 2.87Å; A147-G152 PolarHBondContact O-N 3.47Å; A147-A154 HydrophobicContact CB-CB 3.98Å |
| 148 | S | 82.4 | Confident | 82 | Confident | 94 Ų | 94 | 37.1 Ų | 37.1 | 66% | 0.657 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62 | -35.9 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 112.8 | S144 N145 L146 | S144-S148 WeakPolarHBondContact O-CB 3.46Å; S144-S148 PolarHBondContact O-N 2.81Å; S144-S148 PolarHBondContact O-OG 2.69Å; N145-S148 PolarHBondContact O-N 2.92Å; L146-S148 VanDerWaalsContact C-N 3.32Å; L146-S148 PolarHBondContact O-N 3.13Å |
| 149 | S | 78.8 | Confident | 82.5 | Confident | 72 Ų | 72 | 34.7 Ų | 34.7 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.8 | -26.4 | -179.4 | 72.5 | 0 | 0 | 0 | 0 | 114.6 | L59 N145 L146 A147 | L59-S149 WeakPolarHBondContact CD1-OG 3.4Å; N145-S149 PolarHBondContact O-N 2.93Å; L146-S149 PolarHBondContact O-N 2.88Å; L146-S149 VanDerWaalsContact O-N 3.12Å; L146-S149 PolarHBondContact O-OG 2.95Å; A147-S149 VanDerWaalsContact C-N 3.31Å; A147-S149 PolarHBondContact O-N 3.37Å |
| 150 | V | 79.4 | Confident | 82.3 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -103.9 | -5.1 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 113.6 | A51 Y52 L146 A147 | A51-V150 HydrophobicContact CB-CG2 4.36Å; A51-V150 WeakPolarHBondContact CB-O 3.38Å; Y52-V150 HydrophobicContact CD1-CG2 3.63Å; Y52-V150 HydrophobicContact CE1-CG2 3.62Å; Y52-V150 HydrophobicContact CG-CG2 4.38Å; L146-V150 PolarHBondContact O-N 3.44Å; A147-V150 PolarHBondContact O-N 3.13Å |
| 151 | G | 80.4 | Confident | 81.8 | Confident | 65 Ų | 65 | 35.5 Ų | 35.5 | 67% | 0.67 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | 23.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114 | A147 | A147-G151 PolarHBondContact O-N 2.87Š|
| 152 | G | 84.5 | Confident | 81.9 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 17% | 0.165 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -95.5 | 167.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | A147 A154 | A147-G152 PolarHBondContact O-N 3.47Å; G152-A154 PolarHBondContact O-N 2.81Å |
| 153 | P | 87.4 | Confident | 81.4 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 130.5 | 176.2 | 23.2 | -32.4 | 0 | 0 | 0 | 111.3 | Y41 T43 D48 F49 Y52 | Y41-P153 WeakPolarHBondContact CD1-O 3.23Å; Y41-P153 WeakPolarHBondContact CE1-O 3.22Å; T43-P153 HydrophobicContact CG2-CB 3.68Å; T43-P153 HydrophobicContact CG2-CG 3.79Å; D48-P153 WeakPolarHBondContact O-CD 3.32Å; F49-P153 HydrophobicContact CD1-CG 4.09Å; F49-P153 HydrophobicContact CD2-CG 4.34Å; F49-P153 HydrophobicContact CE1-CG 3.95Å; F49-P153 HydrophobicContact CE2-CG 4.23Å; F49-P153 HydrophobicContact CG-CG 4.27Å; F49-P153 HydrophobicContact CZ-CG 4.02Å; Y52-P153 HydrophobicContact CD2-CG 4.36Å; Y52-P153 HydrophobicContact CE2-CG 3.87Å; Y52-P153 WeakPolarHBondContact CE2-O 3.45Å; Y52-P153 PolarHBondContact OH-O 3.39Å |
| 154 | A | 88.5 | Confident | 81.1 | Confident | 47 Ų | 47 | 42.1 Ų | 42.1 | 39% | 0.388 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 152.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A147 G152 | A147-A154 HydrophobicContact CB-CB 3.98Å; G152-A154 PolarHBondContact O-N 2.81Å |
| 155 | P | 89.4 | Confident | 79.9 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.071 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 147.2 | 170.2 | 31.3 | -36.9 | 0 | 0 | 0 | 110.5 | H39 Y41 L140 A143 | H39-P155 HydrophobicContact CB-CB 3.92Å; Y41-P155 HydrophobicContact CD1-CB 4.21Å; Y41-P155 HydrophobicContact CE1-CB 3.8Å; Y41-P155 HydrophobicContact CE1-CG 4.3Å; Y41-P155 HydrophobicContact CE2-CB 4.27Å; L140-P155 HydrophobicContact CD1-CB 3.75Å; L140-P155 HydrophobicContact CD1-CG 3.64Å; L140-P155 HydrophobicContact CG-CG 4.38Å; A143-P155 HydrophobicContact CB-CG 3.82Å |
| 156 | V | 87.6 | Confident | 78.4 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | | | trans | -92.2 | -35.7 | -178.2 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | L40 I42 Y184 | L40-V156 PolarHBondContact O-N 3.15Å; I42-V156 HydrophobicContact CB-CG2 4.27Å; I42-V156 HydrophobicContact CG1-CG2 4.18Å; V156-Y184 HydrophobicContact CG1-CE1 3.79Å |
| 157 | D | 85.1 | Confident | 77.1 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 163.8 | 177.9 | -146.6 | -31.5 | 0 | 0 | 0 | 111.5 | H39 L40 G179 G180 S181 S182 Y184 | H39-D157 WeakPolarHBondContact CA-O 3.49Å; L40-D157 PolarHBondContact N-O 2.8Å; D157-G179 WeakPolarHBondContact OD2-CA 3.11Å; D157-G180 PolarHBondContact OD1-N 3Å; D157-S181 VanDerWaalsContact CG-OG 3.29Å; D157-S181 PolarHBondContact OD1-N 2.8Å; D157-S181 VanDerWaalsContact OD1-N 3.15Å; D157-S181 WeakPolarHBondContact OD2-CA 3.22Å; D157-S181 WeakPolarHBondContact OD2-CB 3.47Å; D157-S181 PolarHBondContact OD2-N 2.83Å; D157-S181 PolarHBondContact OD2-OG 3.13Å; D157-S182 PolarHBondContact OD2-N 2.9Å; D157-Y184 HydrophobicContact CB-CE2 3.67Å; D157-Y184 WeakPolarHBondContact OD2-CE2 3.29Å; D157-Y184 PolarHBondContact OD2-OH 2.75Å |
| 158 | E | 83.4 | Confident | 75.1 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.4 | 163.7 | -175.4 | -178.2 | 97.8 | 0 | 0 | 109.4 | A37 L38 T136 G179 G180 R215 | A37-E158 HydrophobicContact CB-CG 4.01Å; A37-E158 WeakPolarHBondContact CB-OE2 3.29Å; L38-E158 CarbonylContact O-C 3.27Å; L38-E158 VanDerWaalsContact O-CA 3.26Å; L38-E158 WeakPolarHBondContact O-CA 3.18Å; L38-E158 WeakPolarHBondContact O-CG 3.4Å; T136-E158 VanDerWaalsContact CA-OE2 3.27Å; T136-E158 WeakPolarHBondContact CA-OE2 3.49Å; T136-E158 VanDerWaalsContact CB-OE1 3.29Å; T136-E158 WeakPolarHBondContact CB-OE1 3.42Å; T136-E158 HydrophobicContact CG2-CB 3.99Å; T136-E158 HydrophobicContact CG2-CG 4.28Å; T136-E158 WeakPolarHBondContact CG2-OE1 3.45Å; T136-E158 WeakPolarHBondContact CG2-OE2 3.16Å; T136-E158 PolarHBondContact OG1-OE1 2.86Å; E158-G179 CarbonylContact O-C 3.17Å; E158-G179 VanDerWaalsContact O-CA 3.23Å; E158-G179 WeakPolarHBondContact O-CA 3.5Å; E158-G180 PolarHBondContact O-N 2.77Å; E158-R215 IonicContact OE1-NH2 2.77Å |
| 159 | I | 82.6 | Confident | 73.5 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 122.6 | -179.6 | -56 | -50.2 | 0 | 0 | 0 | 110.1 | L28 L38 L40 G161 L177 Y184 | L28-I159 HydrophobicContact CD2-CB 4.4Å; L28-I159 HydrophobicContact CD2-CG1 3.94Å; L38-I159 HydrophobicContact CB-CB 4.11Å; L38-I159 PolarHBondContact O-N 3.4Å; L40-I159 HydrophobicContact CB-CD1 3.82Å; L40-I159 HydrophobicContact CB-CG1 3.8Å; L40-I159 HydrophobicContact CD2-CD1 4.11Å; I159-G161 WeakPolarHBondContact CG2-O 3.27Å; I159-L177 HydrophobicContact CD1-CB 4.02Å; I159-L177 HydrophobicContact CG2-CB 4.35Å; I159-Y184 HydrophobicContact CD1-CD2 4.41Å |
| 160 | T | 71.5 | Confident | 72.1 | Confident | 43 Ų | 43 | 60.4 Ų | 60.4 | 26% | 0.264 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | -9.5 | -175.3 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | I178 | T160-I178 PolarHBondContact N-O 2.67Å; T160-I178 PolarHBondContact OG1-O 3.41Å; T160-I178 VanDerWaalsContact OG1-O 3.05Å |
| 161 | G | 70.4 | Confident | 70.8 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 13% | 0.134 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 177.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I159 I178 | I159-G161 WeakPolarHBondContact CG2-O 3.27Å; G161-I178 PolarHBondContact N-O 3.43Å; G161-I178 WeakPolarHBondContact O-CB 3.41Å; G161-I178 PolarHBondContact O-N 3.33Å |
| 162 | F | 80.8 | Confident | 69.8 | Low | 49 Ų | 49 | 60.8 Ų | 60.8 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 162.2 | 176.4 | 75.2 | -75 | 0 | 0 | 0 | 111.5 | V176 L177 A198 L201 A202 V205 | F162-V176 CarbonylContact C-O 3.05Å; F162-V176 WeakPolarHBondContact CA-O 3.43Å; F162-V176 WeakPolarHBondContact CB-O 3.14Å; F162-L177 HydrophobicContact CB-CD2 4.03Å; F162-A198 HydrophobicContact CE2-CB 4.19Å; F162-A198 WeakPolarHBondContact CE2-O 3.23Å; F162-A198 WeakPolarHBondContact CZ-O 3.48Å; F162-L201 HydrophobicContact CB-CD1 4.2Å; F162-L201 HydrophobicContact CD1-CB 3.69Å; F162-L201 HydrophobicContact CD2-CB 3.99Å; F162-L201 HydrophobicContact CD2-CD1 4.01Å; F162-L201 VanDerWaalsContact CE1-C 3.48Å; F162-L201 HydrophobicContact CE1-CB 3.59Å; F162-L201 HydrophobicContact CE2-CB 3.9Å; F162-L201 HydrophobicContact CG-CB 3.89Å; F162-L201 HydrophobicContact CG-CD1 4Å; F162-L201 HydrophobicContact CG-CG 4.49Å; F162-L201 HydrophobicContact CZ-CB 3.71Å; F162-A202 HydrophobicContact CZ-CB 3.99Å; F162-V205 HydrophobicContact CD1-CG2 4.26Å; F162-V205 HydrophobicContact CE1-CB 4.31Å; F162-V205 HydrophobicContact CE1-CG2 4.39Å |
| 163 | E | 70 | Confident | 69.5 | Low | 129 Ų | 129 | 60.8 Ų | 60.8 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 143.6 | 171.3 | -179.8 | 173.8 | -155.6 | 0 | 0 | 108.7 | V176 | E163-V176 HydrophobicContact CB-CB 4.3Å; E163-V176 PolarHBondContact N-O 2.85Å; E163-V176 PolarHBondContact O-N 3.14Å |
| 164 | S | 73.9 | Confident | 69.2 | Low | 38 Ų | 38 | 61.9 Ų | 61.9 | 27% | 0.266 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.7 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 165 | G | 58.4 | Low | 69 | Low | 35 Ų | 35 | 59.6 Ų | 59.6 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I174 | G165-I174 PolarHBondContact N-O 3.36Å; G165-I174 VanDerWaalsContact N-O 3.09Å; G165-I174 PolarHBondContact O-N 2.81Å |
| 166 | Y | 51.8 | Low | 68.7 | Low | 95 Ų | 95 | 60.8 Ų | 60.8 | 37% | 0.373 | 31% | 0.311 | S | S | . | . | | | trans | -124.6 | 141.8 | 176.4 | -179.9 | -104.3 | 0 | 0 | 0 | 111 | M168 S172 N173 M191 | Y166-M168 HydrophobicContact CE1-CE 4.06Å; Y166-M168 VanDerWaalsContact OH-CE 3.27Å; Y166-M168 WeakPolarHBondContact OH-CE 3.26Å; Y166-S172 WeakPolarHBondContact CA-O 3.19Å; Y166-S172 WeakPolarHBondContact CE2-OG 3.04Å; Y166-N173 WeakPolarHBondContact CD2-OD1 2.91Å; Y166-N173 VanDerWaalsContact CE2-OD1 3.32Å; Y166-N173 WeakPolarHBondContact CE2-OD1 3.23Å; Y166-M191 HydrophobicContact CD2-CE 4.42Å; Y166-M191 HydrophobicContact CD2-CG 3.95Å; Y166-M191 HydrophobicContact CD2-SD 4.44Å; Y166-M191 HydrophobicContact CE1-CE 4.05Å; Y166-M191 HydrophobicContact CE1-SD 4.37Å; Y166-M191 HydrophobicContact CE2-CE 3.94Å; Y166-M191 HydrophobicContact CE2-CG 3.37Å; Y166-M191 HydrophobicContact CE2-SD 3.53Å; Y166-M191 VanDerWaalsContact CE2-SD 3.53Å; Y166-M191 PolarHBondContact OH-SD 3.03Å |
| 167 | H | 50.4 | Low | 68.6 | Low | 121 Ų | 121 | 57.8 Ų | 57.8 | 56% | 0.56 | 29% | 0.293 | S | S | * | . | | | trans | -129.3 | 171 | 175.3 | -143.2 | -94.2 | 0 | 0 | 0 | 108.9 | D169 S172 | H167-D169 VanDerWaalsContact C-N 3.32Å; H167-D169 IonicContact CE1-OD1 3.71Å; H167-D169 PolarHBondContact CE1-OD1 3.18Å; H167-D169 IonicContact CG-OD1 3.43Å; H167-D169 VanDerWaalsContact ND1-CG 3.33Å; H167-D169 IonicContact ND1-OD1 3.69Å; H167-D169 PolarHBondContact ND1-OD1 3.33Å; H167-D169 IonicContact ND1-OD2 3.57Å; H167-S172 VanDerWaalsContact C-CB 3.46Å; H167-S172 WeakPolarHBondContact O-CB 3.42Å; H167-S172 PolarHBondContact O-OG 2.96Å |
| 168 | M | 40.5 | Very low | 68.4 | Low | 155 Ų | 155 | 60.8 Ų | 60.8 | 76% | 0.764 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -87.2 | -0.3 | 177.1 | -69.7 | -105.8 | 67.8 | 0 | 0 | 114 | Y166 | Y166-M168 HydrophobicContact CE1-CE 4.06Å; Y166-M168 VanDerWaalsContact OH-CE 3.27Å; Y166-M168 WeakPolarHBondContact OH-CE 3.26Å |
| 169 | D | 48.6 | Very low | 68.3 | Low | 100 Ų | 100 | 60.7 Ų | 60.7 | 54% | 0.535 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -95 | 151.7 | -169.8 | -56.5 | 34.9 | 0 | 0 | 0 | 110.9 | H167 E171 S172 | H167-D169 VanDerWaalsContact C-N 3.32Å; H167-D169 IonicContact CE1-OD1 3.71Å; H167-D169 PolarHBondContact CE1-OD1 3.18Å; H167-D169 IonicContact CG-OD1 3.43Å; H167-D169 VanDerWaalsContact ND1-CG 3.33Å; H167-D169 IonicContact ND1-OD1 3.69Å; H167-D169 PolarHBondContact ND1-OD1 3.33Å; H167-D169 IonicContact ND1-OD2 3.57Å; D169-E171 PolarHBondContact O-N 3.08Å; D169-S172 WeakPolarHBondContact O-CA 3.45Å; D169-S172 WeakPolarHBondContact O-CB 3.28Å; D169-S172 PolarHBondContact O-N 2.8Å; D169-S172 PolarHBondContact O-OG 3.37Å |
| 170 | K | 48.7 | Very low | 67.6 | Low | 210 Ų | 210 | 62.2 Ų | 62.2 | 91% | 0.913 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 16.2 | -169.9 | -59.8 | -176.1 | -180 | -178.9 | 0 | 117.3 | | |
| 171 | E | 52.8 | Low | 67.7 | Low | 88 Ų | 88 | 64.2 Ų | 64.2 | 41% | 0.411 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 17.5 | 167.5 | -56.4 | -154 | 127.3 | 0 | 0 | 112.3 | R14 W21 D169 N173 I174 | R14-E171 IonicContact NH1-OE1 2.66Å; R14-E171 PolarHBondContact NH1-OE1 3.05Å; W21-E171 VanDerWaalsContact CD1-OE1 3.25Å; W21-E171 VanDerWaalsContact NE1-CD 3.29Å; W21-E171 PolarHBondContact NE1-OE1 3.02Å; W21-E171 PolarHBondContact NE1-OE2 3.28Å; D169-E171 PolarHBondContact O-N 3.08Å; E171-N173 PolarHBondContact O-N 3.35Å; E171-I174 WeakPolarHBondContact O-CG1 3.34Å |
| 172 | S | 60 | Low | 68 | Low | 13 Ų | 13 | 66.5 Ų | 66.5 | 9% | 0.091 | 36% | 0.357 | C | S | . | . | | | trans | -72.2 | -22.8 | -160.4 | 47.4 | 0 | 0 | 0 | 0 | 118.4 | Y166 H167 D169 I174 | Y166-S172 WeakPolarHBondContact CA-O 3.19Å; Y166-S172 WeakPolarHBondContact CE2-OG 3.04Å; H167-S172 VanDerWaalsContact C-CB 3.46Å; H167-S172 WeakPolarHBondContact O-CB 3.42Å; H167-S172 PolarHBondContact O-OG 2.96Å; D169-S172 WeakPolarHBondContact O-CA 3.45Å; D169-S172 WeakPolarHBondContact O-CB 3.28Å; D169-S172 PolarHBondContact O-N 2.8Å; D169-S172 PolarHBondContact O-OG 3.37Å; S172-I174 PolarHBondContact O-N 2.82Å |
| 173 | N | 78.2 | Confident | 67.8 | Low | 17 Ų | 17 | 68.7 Ų | 68.7 | 9% | 0.091 | 38% | 0.375 | C | S | . | . | | | trans | -83.7 | 74.5 | -166.6 | -53 | -47.5 | 0 | 0 | 0 | 110.7 | Y166 E171 A187 L188 G190 M191 M194 | Y166-N173 WeakPolarHBondContact CD2-OD1 2.91Å; Y166-N173 VanDerWaalsContact CE2-OD1 3.32Å; Y166-N173 WeakPolarHBondContact CE2-OD1 3.23Å; E171-N173 PolarHBondContact O-N 3.35Å; N173-A187 WeakPolarHBondContact O-CA 3.34Å; N173-L188 HydrophobicContact CB-CB 4.39Å; N173-L188 PolarHBondContact O-N 3.27Å; N173-G190 VanDerWaalsContact ND2-C 3.28Å; N173-G190 WeakPolarHBondContact ND2-CA 2.9Å; N173-M191 VanDerWaalsContact OD1-CG 3.23Å; N173-M191 WeakPolarHBondContact OD1-CG 3.27Å; N173-M194 HydrophobicContact CB-CB 3.97Å; N173-M194 HydrophobicContact CB-CG 4.38Å; N173-M194 HydrophobicContact CB-SD 4.22Å |
| 174 | I | 80.4 | Confident | 68.5 | Low | 50 Ų | 50 | 63.2 Ų | 63.2 | 26% | 0.256 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.9 | -164.6 | -58.4 | -177.7 | 0 | 0 | 0 | 113.3 | W21 G165 E171 S172 V176 L186 A187 | W21-I174 HydrophobicContact CH2-CD1 4.36Å; W21-I174 HydrophobicContact CZ2-CD1 4.35Å; G165-I174 PolarHBondContact N-O 3.36Å; G165-I174 VanDerWaalsContact N-O 3.09Å; G165-I174 PolarHBondContact O-N 2.81Å; E171-I174 WeakPolarHBondContact O-CG1 3.34Å; S172-I174 PolarHBondContact O-N 2.82Å; I174-V176 HydrophobicContact CG2-CG2 3.94Å; I174-L186 WeakPolarHBondContact CA-O 3.37Å; I174-A187 HydrophobicContact CG1-CB 4.31Å |
| 175 | I | 84.3 | Confident | 69.1 | Low | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 113.3 | 150.5 | -35.2 | 155.9 | 0 | 0 | 0 | 114.7 | L177 A185 L186 L188 M194 W197 A198 L201 | I175-L177 HydrophobicContact CG2-CD2 3.65Å; I175-L177 HydrophobicContact CG2-CG 4.14Å; I175-A185 CarbonylContact O-C 3.6Å; I175-A185 VanDerWaalsContact O-CA 3.31Å; I175-A185 WeakPolarHBondContact O-CA 3.23Å; I175-L186 WeakPolarHBondContact CA-O 3.27Å; I175-L186 PolarHBondContact N-O 2.95Å; I175-L186 PolarHBondContact O-N 3.31Å; I175-L188 HydrophobicContact CD1-CD1 4.32Å; I175-M194 HydrophobicContact CD1-CG 3.96Å; I175-M194 VanDerWaalsContact CD1-O 3.31Å; I175-M194 WeakPolarHBondContact CD1-O 3.39Å; I175-M194 HydrophobicContact CG1-CG 3.94Å; I175-W197 HydrophobicContact CD1-CB 3.73Å; I175-A198 HydrophobicContact CD1-CB 3.9Å; I175-L201 HydrophobicContact CG2-CD1 4.21Å |
| 176 | V | 83.6 | Confident | 70.5 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 21% | 0.212 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 110.3 | 161.2 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | F162 E163 I174 V183 | F162-V176 CarbonylContact C-O 3.05Å; F162-V176 WeakPolarHBondContact CA-O 3.43Å; F162-V176 WeakPolarHBondContact CB-O 3.14Å; E163-V176 HydrophobicContact CB-CB 4.3Å; E163-V176 PolarHBondContact N-O 2.85Å; E163-V176 PolarHBondContact O-N 3.14Å; I174-V176 HydrophobicContact CG2-CG2 3.94Å; V176-V183 HydrophobicContact CG1-CG1 3.44Å; V176-V183 VanDerWaalsContact CG1-CG1 3.44Å |
| 177 | L | 85 | Confident | 72.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.5 | 175.4 | -54.1 | 174.2 | 0 | 0 | 0 | 110 | L28 L40 I159 F162 I175 V183 Y184 L186 L201 | L28-L177 HydrophobicContact CD1-CD1 4.11Å; L28-L177 HydrophobicContact CD2-CD1 4.4Å; L40-L177 HydrophobicContact CD1-CD1 3.93Å; L40-L177 HydrophobicContact CD2-CD1 3.87Å; L40-L177 HydrophobicContact CG-CD1 4.46Å; I159-L177 HydrophobicContact CD1-CB 4.02Å; I159-L177 HydrophobicContact CG2-CB 4.35Å; F162-L177 HydrophobicContact CB-CD2 4.03Å; I175-L177 HydrophobicContact CG2-CD2 3.65Å; I175-L177 HydrophobicContact CG2-CG 4.14Å; L177-V183 WeakPolarHBondContact O-CA 3.4Å; L177-Y184 PolarHBondContact N-O 2.99Å; L177-Y184 PolarHBondContact O-N 3.04Å; L177-L186 HydrophobicContact CD1-CD1 3.71Å; L177-L186 HydrophobicContact CG-CD1 4.38Å; L177-L201 HydrophobicContact CD2-CD1 3.61Å |
| 178 | I | 81.1 | Confident | 73.9 | Confident | 68 Ų | 68 | 51.3 Ų | 51.3 | 35% | 0.349 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 98.4 | -178.1 | -54 | 176.1 | 0 | 0 | 0 | 108.4 | T160 G161 | T160-I178 PolarHBondContact N-O 2.67Å; T160-I178 PolarHBondContact OG1-O 3.41Å; T160-I178 VanDerWaalsContact OG1-O 3.05Å; G161-I178 PolarHBondContact N-O 3.43Å; G161-I178 WeakPolarHBondContact O-CB 3.41Å; G161-I178 PolarHBondContact O-N 3.33Å |
| 179 | G | 80.5 | Confident | 75.9 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 166 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D157 E158 S181 S182 | D157-G179 WeakPolarHBondContact OD2-CA 3.11Å; E158-G179 CarbonylContact O-C 3.17Å; E158-G179 VanDerWaalsContact O-CA 3.23Å; E158-G179 WeakPolarHBondContact O-CA 3.5Å; G179-S181 PolarHBondContact O-N 2.87Å; G179-S182 WeakPolarHBondContact CA-O 2.84Å; G179-S182 PolarHBondContact N-O 3.09Å |
| 180 | G | 70 | Confident | 77.2 | Confident | 37 Ų | 37 | 44.9 Ų | 44.9 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -69.7 | -20 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | D157 E158 | D157-G180 PolarHBondContact OD1-N 3Å; E158-G180 PolarHBondContact O-N 2.77Å |
| 181 | S | 71.6 | Confident | 78.6 | Confident | 85 Ų | 85 | 38.3 Ų | 38.3 | 59% | 0.594 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -117.4 | -23.9 | 176.9 | 80.4 | 0 | 0 | 0 | 0 | 114.6 | D157 G179 | D157-S181 VanDerWaalsContact CG-OG 3.29Å; D157-S181 PolarHBondContact OD1-N 2.8Å; D157-S181 VanDerWaalsContact OD1-N 3.15Å; D157-S181 WeakPolarHBondContact OD2-CA 3.22Å; D157-S181 WeakPolarHBondContact OD2-CB 3.47Å; D157-S181 PolarHBondContact OD2-N 2.83Å; D157-S181 PolarHBondContact OD2-OG 3.13Å; G179-S181 PolarHBondContact O-N 2.87Å |
| 182 | S | 77.7 | Confident | 79.9 | Confident | 61 Ų | 61 | 40.4 Ų | 40.4 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | | | trans | -159 | 165.3 | -172.7 | -87.9 | 0 | 0 | 0 | 0 | 114.1 | D157 G179 Y184 | D157-S182 PolarHBondContact OD2-N 2.9Å; G179-S182 WeakPolarHBondContact CA-O 2.84Å; G179-S182 PolarHBondContact N-O 3.09Å; S182-Y184 WeakPolarHBondContact CB-OH 3.48Å; S182-Y184 WeakPolarHBondContact O-CD2 3Å; S182-Y184 VanDerWaalsContact O-CE2 3.23Å; S182-Y184 WeakPolarHBondContact O-CE2 3.32Å |
| 183 | V | 77.5 | Confident | 80.9 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 58% | 0.582 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.8 | 178.6 | 180 | 0 | 0 | 0 | 0 | 109.9 | V176 L177 | V176-V183 HydrophobicContact CG1-CG1 3.44Å; V176-V183 VanDerWaalsContact CG1-CG1 3.44Å; L177-V183 WeakPolarHBondContact O-CA 3.4Å |
| 184 | Y | 84.4 | Confident | 81.1 | Confident | 13 Ų | 13 | 41.8 Ų | 41.8 | 5% | 0.051 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111.6 | -171 | -58.2 | -96.2 | 0 | 0 | 0 | 110.6 | Y15 L40 I42 V156 D157 I159 L177 S182 | Y15-Y184 AromaticContact CE2-CD1 3.73Å; Y15-Y184 HydrophobicContact CE2-CD1 3.73Å; Y15-Y184 HydrophobicContact CE2-CG 4.48Å; L40-Y184 HydrophobicContact CD2-CD1 3.9Å; L40-Y184 HydrophobicContact CD2-CD2 3.96Å; L40-Y184 HydrophobicContact CD2-CG 3.61Å; I42-Y184 HydrophobicContact CD1-CD1 3.83Å; I42-Y184 HydrophobicContact CD1-CE1 4.3Å; V156-Y184 HydrophobicContact CG1-CE1 3.79Å; D157-Y184 HydrophobicContact CB-CE2 3.67Å; D157-Y184 WeakPolarHBondContact OD2-CE2 3.29Å; D157-Y184 PolarHBondContact OD2-OH 2.75Å; I159-Y184 HydrophobicContact CD1-CD2 4.41Å; L177-Y184 PolarHBondContact N-O 2.99Å; L177-Y184 PolarHBondContact O-N 3.04Å; S182-Y184 WeakPolarHBondContact CB-OH 3.48Å; S182-Y184 WeakPolarHBondContact O-CD2 3Å; S182-Y184 VanDerWaalsContact O-CE2 3.23Å; S182-Y184 WeakPolarHBondContact O-CE2 3.32Å |
| 185 | A | 85.4 | Confident | 81.1 | Confident | 25 Ų | 25 | 43.9 Ų | 43.9 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 129.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R16 W21 I175 | R16-A185 HydrophobicContact CB-CB 3.86Å; R16-A185 PolarHBondContact N-O 2.91Å; W21-A185 HydrophobicContact CH2-CB 4.49Å; I175-A185 CarbonylContact O-C 3.6Å; I175-A185 VanDerWaalsContact O-CA 3.31Å; I175-A185 WeakPolarHBondContact O-CA 3.23Å |
| 186 | L | 87.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 113.5 | -179.7 | -60.2 | -179.6 | 0 | 0 | 0 | 109 | A13 R14 Y15 I174 I175 L177 W197 | A13-L186 HydrophobicContact CB-CB 4.01Å; A13-L186 HydrophobicContact CB-CD2 4.06Å; A13-L186 HydrophobicContact CB-CG 4.42Å; R14-L186 CarbonylContact O-C 3.44Å; R14-L186 WeakPolarHBondContact O-CA 3.49Å; Y15-L186 HydrophobicContact CD2-CD2 3.91Å; Y15-L186 HydrophobicContact CG-CD2 4.37Å; I174-L186 WeakPolarHBondContact CA-O 3.37Å; I175-L186 WeakPolarHBondContact CA-O 3.27Å; I175-L186 PolarHBondContact N-O 2.95Å; I175-L186 PolarHBondContact O-N 3.31Å; L177-L186 HydrophobicContact CD1-CD1 3.71Å; L177-L186 HydrophobicContact CG-CD1 4.38Å; L186-W197 HydrophobicContact CD1-CE3 4.45Å; L186-W197 HydrophobicContact CD1-CH2 4.4Å; L186-W197 HydrophobicContact CD1-CZ3 3.73Å |
| 187 | A | 87.1 | Confident | 81.1 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.033 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 120.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | R14 W21 N173 I174 | R14-A187 HydrophobicContact CB-CB 4.18Å; R14-A187 WeakPolarHBondContact CB-O 3.35Å; R14-A187 PolarHBondContact N-O 3.48Å; R14-A187 PolarHBondContact O-N 3.19Å; W21-A187 HydrophobicContact CE3-CB 4.38Å; W21-A187 HydrophobicContact CH2-CB 3.7Å; W21-A187 HydrophobicContact CZ2-CB 4.01Å; W21-A187 HydrophobicContact CZ3-CB 3.89Å; N173-A187 WeakPolarHBondContact O-CA 3.34Å; I174-A187 HydrophobicContact CG1-CB 4.31Å |
| 188 | L | 87.3 | Confident | 80.9 | Confident | 11 Ų | 11 | 46 Ų | 46 | 6% | 0.058 | 29% | 0.29 | C | S | . | . | | | trans | -91.1 | 161.5 | -176.9 | -67 | 165.8 | 0 | 0 | 0 | 111 | A13 N173 I175 E193 M194 W197 | A13-L188 HydrophobicContact CB-CD2 3.81Å; N173-L188 HydrophobicContact CB-CB 4.39Å; N173-L188 PolarHBondContact O-N 3.27Å; I175-L188 HydrophobicContact CD1-CD1 4.32Å; L188-E193 HydrophobicContact CB-CB 4.41Å; L188-E193 HydrophobicContact CB-CG 4.22Å; L188-E193 HydrophobicContact CD1-CG 4.46Å; L188-E193 HydrophobicContact CD2-CG 4.11Å; L188-E193 HydrophobicContact CG-CG 4.48Å; L188-M194 HydrophobicContact CB-CB 4.45Å; L188-M194 HydrophobicContact CD1-CB 4.01Å; L188-M194 HydrophobicContact CD1-CG 4.47Å; L188-W197 HydrophobicContact CD1-CB 4.01Å; L188-W197 HydrophobicContact CD1-CD2 4.1Å; L188-W197 HydrophobicContact CD1-CG 3.85Å; L188-W197 HydrophobicContact CD2-CD2 4.29Å; L188-W197 HydrophobicContact CD2-CZ2 4.43Å |
| 189 | A | 81.8 | Confident | 80.8 | Confident | 95 Ų | 95 | 47.3 Ų | 47.3 | 79% | 0.785 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -72.8 | -32.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E193 | A189-E193 WeakPolarHBondContact CB-OE2 3.38Å; A189-E193 PolarHBondContact N-OE2 2.98Å |
| 190 | G | 77.1 | Confident | 80.8 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -138.1 | 168.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N173 D192 M194 | N173-G190 VanDerWaalsContact ND2-C 3.28Å; N173-G190 WeakPolarHBondContact ND2-CA 2.9Å; G190-D192 VanDerWaalsContact C-N 3.33Å; G190-M194 PolarHBondContact O-N 3.38Å |
| 191 | M | 77.5 | Confident | 81.2 | Confident | 72 Ų | 72 | 47.5 Ų | 47.5 | 36% | 0.355 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -41.9 | 174.5 | -71.8 | 171.5 | 66.7 | 0 | 0 | 111 | Y166 N173 E193 M194 F195 | Y166-M191 HydrophobicContact CD2-CE 4.42Å; Y166-M191 HydrophobicContact CD2-CG 3.95Å; Y166-M191 HydrophobicContact CD2-SD 4.44Å; Y166-M191 HydrophobicContact CE1-CE 4.05Å; Y166-M191 HydrophobicContact CE1-SD 4.37Å; Y166-M191 HydrophobicContact CE2-CE 3.94Å; Y166-M191 HydrophobicContact CE2-CG 3.37Å; Y166-M191 HydrophobicContact CE2-SD 3.53Å; Y166-M191 VanDerWaalsContact CE2-SD 3.53Å; Y166-M191 PolarHBondContact OH-SD 3.03Å; N173-M191 VanDerWaalsContact OD1-CG 3.23Å; N173-M191 WeakPolarHBondContact OD1-CG 3.27Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 2.81Å; M191-M194 CarbonylContact O-C 3.35Å; M191-M194 WeakPolarHBondContact O-CA 3.47Å; M191-M194 WeakPolarHBondContact O-CB 3.37Å; M191-M194 PolarHBondContact O-N 2.85Å; M191-M194 VanDerWaalsContact O-N 3.08Å; M191-F195 HydrophobicContact CB-CD2 4.33Å; M191-F195 HydrophobicContact CB-CE2 4.2Å; M191-F195 HydrophobicContact CE-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.32Å; M191-F195 PolarHBondContact O-N 3Å |
| 192 | D | 79.2 | Confident | 81.2 | Confident | 132 Ų | 132 | 44.9 Ų | 44.9 | 71% | 0.706 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.8 | -36.4 | -175.1 | -40.2 | -61.3 | 0 | 0 | 0 | 111.5 | G190 M194 F195 C196 | G190-D192 VanDerWaalsContact C-N 3.33Å; D192-M194 VanDerWaalsContact C-N 3.34Å; D192-F195 PolarHBondContact O-N 3.28Å; D192-C196 WeakPolarHBondContact O-CB 3.49Å; D192-C196 PolarHBondContact O-N 2.85Å |
| 193 | E | 81.3 | Confident | 80.8 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 27% | 0.271 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 171.3 | -170.4 | -178 | -154.3 | 0 | 0 | 110.8 | L188 A189 M191 W197 | L188-E193 HydrophobicContact CB-CB 4.41Å; L188-E193 HydrophobicContact CB-CG 4.22Å; L188-E193 HydrophobicContact CD1-CG 4.46Å; L188-E193 HydrophobicContact CD2-CG 4.11Å; L188-E193 HydrophobicContact CG-CG 4.48Å; A189-E193 WeakPolarHBondContact CB-OE2 3.38Å; A189-E193 PolarHBondContact N-OE2 2.98Å; M191-E193 VanDerWaalsContact C-N 3.34Å; M191-E193 PolarHBondContact O-N 2.81Å; E193-W197 WeakPolarHBondContact O-CB 3.32Å; E193-W197 PolarHBondContact O-N 3.46Å |
| 194 | M | 83 | Confident | 80.3 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 176.5 | -178.3 | -147.7 | 69.5 | 0 | 0 | 112.7 | N173 I175 L188 G190 M191 D192 W197 A198 | N173-M194 HydrophobicContact CB-CB 3.97Å; N173-M194 HydrophobicContact CB-CG 4.38Å; N173-M194 HydrophobicContact CB-SD 4.22Å; I175-M194 HydrophobicContact CD1-CG 3.96Å; I175-M194 VanDerWaalsContact CD1-O 3.31Å; I175-M194 WeakPolarHBondContact CD1-O 3.39Å; I175-M194 HydrophobicContact CG1-CG 3.94Å; L188-M194 HydrophobicContact CB-CB 4.45Å; L188-M194 HydrophobicContact CD1-CB 4.01Å; L188-M194 HydrophobicContact CD1-CG 4.47Å; G190-M194 PolarHBondContact O-N 3.38Å; M191-M194 CarbonylContact O-C 3.35Å; M191-M194 WeakPolarHBondContact O-CA 3.47Å; M191-M194 WeakPolarHBondContact O-CB 3.37Å; M191-M194 PolarHBondContact O-N 2.85Å; M191-M194 VanDerWaalsContact O-N 3.08Å; D192-M194 VanDerWaalsContact C-N 3.34Å; M194-W197 PolarHBondContact O-N 3.5Å; M194-A198 VanDerWaalsContact O-CB 3.28Å; M194-A198 WeakPolarHBondContact O-CB 3.38Å; M194-A198 PolarHBondContact O-N 2.89Å |
| 195 | F | 80.1 | Confident | 79.3 | Confident | 94 Ų | 94 | 47.9 Ų | 47.9 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 174.3 | -70.9 | -63 | 0 | 0 | 0 | 111.3 | M191 D192 W197 A198 D199 | M191-F195 HydrophobicContact CB-CD2 4.33Å; M191-F195 HydrophobicContact CB-CE2 4.2Å; M191-F195 HydrophobicContact CE-CE2 4.11Å; M191-F195 WeakPolarHBondContact O-CD2 3.32Å; M191-F195 PolarHBondContact O-N 3Å; D192-F195 PolarHBondContact O-N 3.28Å; F195-W197 PolarHBondContact O-N 3.26Å; F195-A198 PolarHBondContact O-N 2.86Å; F195-A198 VanDerWaalsContact O-N 3.15Å; F195-D199 WeakPolarHBondContact O-CB 3.48Å; F195-D199 PolarHBondContact O-N 3.5Å |
| 196 | C | 81 | Confident | 77.8 | Confident | 66 Ų | 66 | 52.3 Ų | 52.3 | 45% | 0.446 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -44.4 | 174.3 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | D192 N200 | D192-C196 WeakPolarHBondContact O-CB 3.49Å; D192-C196 PolarHBondContact O-N 2.85Å; C196-N200 WeakPolarHBondContact O-CB 3.03Å; C196-N200 PolarHBondContact O-N 2.93Å; C196-N200 VanDerWaalsContact O-N 3.1Å; C196-N200 PolarHBondContact O-ND2 3.01Å |
| 197 | W | 87.2 | Confident | 75.8 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 3% | 0.03 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 173.8 | -84.2 | 55.3 | 0 | 0 | 0 | 111.8 | L9 C26 L28 I175 L186 L188 E193 M194 F195 L201 | L9-W197 HydrophobicContact CB-CD2 4.33Å; L9-W197 HydrophobicContact CB-CE3 4.48Å; L9-W197 HydrophobicContact CB-CH2 4.4Å; L9-W197 HydrophobicContact CB-CZ2 4.25Å; L9-W197 HydrophobicContact CD1-CB 4.13Å; L9-W197 HydrophobicContact CD1-CD2 3.9Å; L9-W197 HydrophobicContact CD1-CE3 4Å; L9-W197 HydrophobicContact CD1-CG 3.96Å; L9-W197 HydrophobicContact CD2-CD2 4.48Å; L9-W197 HydrophobicContact CD2-CG 4.24Å; L9-W197 HydrophobicContact CG-CD2 4.48Å; C26-W197 HydrophobicContact CB-CH2 4.24Å; L28-W197 HydrophobicContact CD1-CE3 4.07Å; L28-W197 HydrophobicContact CD1-CH2 4.39Å; L28-W197 HydrophobicContact CD1-CZ3 3.62Å; I175-W197 HydrophobicContact CD1-CB 3.73Å; L186-W197 HydrophobicContact CD1-CE3 4.45Å; L186-W197 HydrophobicContact CD1-CH2 4.4Å; L186-W197 HydrophobicContact CD1-CZ3 3.73Å; L188-W197 HydrophobicContact CD1-CB 4.01Å; L188-W197 HydrophobicContact CD1-CD2 4.1Å; L188-W197 HydrophobicContact CD1-CG 3.85Å; L188-W197 HydrophobicContact CD2-CD2 4.29Å; L188-W197 HydrophobicContact CD2-CZ2 4.43Å; E193-W197 WeakPolarHBondContact O-CB 3.32Å; E193-W197 PolarHBondContact O-N 3.46Å; M194-W197 PolarHBondContact O-N 3.5Å; F195-W197 PolarHBondContact O-N 3.26Å; W197-L201 WeakPolarHBondContact O-CB 3.25Å; W197-L201 WeakPolarHBondContact O-CD1 3.36Å; W197-L201 VanDerWaalsContact O-CG 3.23Å; W197-L201 WeakPolarHBondContact O-CG 3.43Å; W197-L201 PolarHBondContact O-N 3.2Å |
| 198 | A | 80.6 | Confident | 73.6 | Confident | 5 Ų | 5 | 61 Ų | 61 | 4% | 0.041 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F162 I175 M194 F195 A202 | F162-A198 HydrophobicContact CE2-CB 4.19Å; F162-A198 WeakPolarHBondContact CE2-O 3.23Å; F162-A198 WeakPolarHBondContact CZ-O 3.48Å; I175-A198 HydrophobicContact CD1-CB 3.9Å; M194-A198 VanDerWaalsContact O-CB 3.28Å; M194-A198 WeakPolarHBondContact O-CB 3.38Å; M194-A198 PolarHBondContact O-N 2.89Å; F195-A198 PolarHBondContact O-N 2.86Å; F195-A198 VanDerWaalsContact O-N 3.15Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.25Å; A198-A202 PolarHBondContact O-N 3.4Å |
| 199 | D | 78.8 | Confident | 71.1 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 51% | 0.508 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -75.6 | -35.2 | -177.8 | -69.9 | -25.7 | 0 | 0 | 0 | 111.7 | F195 A202 R203 | F195-D199 WeakPolarHBondContact O-CB 3.48Å; F195-D199 PolarHBondContact O-N 3.5Å; D199-A202 PolarHBondContact O-N 3.35Å; D199-R203 WeakPolarHBondContact O-CB 3.32Å; D199-R203 VanDerWaalsContact O-CG 3.25Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 3.39Å |
| 200 | N | 80 | Confident | 69.1 | Low | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 170.3 | -82.6 | -65 | 0 | 0 | 0 | 111.9 | L9 C196 A202 R203 I204 | L9-N200 HydrophobicContact CD1-CB 4.1Å; L9-N200 HydrophobicContact CD2-CB 3.97Å; L9-N200 HydrophobicContact CG-CB 4.22Å; C196-N200 WeakPolarHBondContact O-CB 3.03Å; C196-N200 PolarHBondContact O-N 2.93Å; C196-N200 VanDerWaalsContact O-N 3.1Å; C196-N200 PolarHBondContact O-ND2 3.01Å; N200-A202 VanDerWaalsContact C-N 3.31Å; N200-A202 PolarHBondContact O-N 3.27Å; N200-R203 PolarHBondContact O-N 3.42Å; N200-I204 WeakPolarHBondContact O-CG1 3.34Å; N200-I204 PolarHBondContact O-N 2.92Å; N200-I204 VanDerWaalsContact O-N 3.14Å |
| 201 | L | 78.9 | Confident | 67.2 | Low | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.6 | -38.3 | 173 | -72.6 | 167.5 | 0 | 0 | 0 | 111.6 | L9 L28 L38 F162 I175 L177 W197 I204 V205 | L9-L201 HydrophobicContact CD1-CD1 4.41Å; L9-L201 HydrophobicContact CD1-CD2 4.38Å; L9-L201 HydrophobicContact CD1-CG 3.92Å; L28-L201 HydrophobicContact CD1-CD2 4.22Å; L28-L201 HydrophobicContact CD2-CD2 4.25Å; L38-L201 HydrophobicContact CD1-CD2 4.19Å; F162-L201 HydrophobicContact CB-CD1 4.2Å; F162-L201 HydrophobicContact CD1-CB 3.69Å; F162-L201 HydrophobicContact CD2-CB 3.99Å; F162-L201 HydrophobicContact CD2-CD1 4.01Å; F162-L201 VanDerWaalsContact CE1-C 3.48Å; F162-L201 HydrophobicContact CE1-CB 3.59Å; F162-L201 HydrophobicContact CE2-CB 3.9Å; F162-L201 HydrophobicContact CG-CB 3.89Å; F162-L201 HydrophobicContact CG-CD1 4Å; F162-L201 HydrophobicContact CG-CG 4.49Å; F162-L201 HydrophobicContact CZ-CB 3.71Å; I175-L201 HydrophobicContact CG2-CD1 4.21Å; L177-L201 HydrophobicContact CD2-CD1 3.61Å; W197-L201 WeakPolarHBondContact O-CB 3.25Å; W197-L201 WeakPolarHBondContact O-CD1 3.36Å; W197-L201 VanDerWaalsContact O-CG 3.23Å; W197-L201 WeakPolarHBondContact O-CG 3.43Å; W197-L201 PolarHBondContact O-N 3.2Å; L201-I204 PolarHBondContact O-N 3.5Å; L201-V205 VanDerWaalsContact O-CB 3.29Å; L201-V205 WeakPolarHBondContact O-CB 3.09Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.46Å; L201-V205 PolarHBondContact O-N 3.2Å |
| 202 | A | 71.9 | Confident | 65.1 | Low | 31 Ų | 31 | 70.3 Ų | 70.3 | 26% | 0.256 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -50.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F162 A198 D199 N200 I204 V205 V206 | F162-A202 HydrophobicContact CZ-CB 3.99Å; A198-A202 VanDerWaalsContact O-CB 3.27Å; A198-A202 WeakPolarHBondContact O-CB 3.25Å; A198-A202 PolarHBondContact O-N 3.4Å; D199-A202 PolarHBondContact O-N 3.35Å; N200-A202 VanDerWaalsContact C-N 3.31Å; N200-A202 PolarHBondContact O-N 3.27Å; A202-I204 PolarHBondContact O-N 2.73Å; A202-V205 PolarHBondContact O-N 2.89Å; A202-V206 WeakPolarHBondContact O-CB 3.33Å; A202-V206 WeakPolarHBondContact O-CG2 3.46Å; A202-V206 PolarHBondContact O-N 2.57Å |
| 203 | R | 69.1 | Low | 62.8 | Low | 172 Ų | 172 | 65.5 Ų | 65.5 | 65% | 0.649 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -57.4 | -31.2 | 179.4 | -76 | 167.9 | 65.7 | 81.2 | -8 | 113.1 | D199 N200 | D199-R203 WeakPolarHBondContact O-CB 3.32Å; D199-R203 VanDerWaalsContact O-CG 3.25Å; D199-R203 WeakPolarHBondContact O-CG 3.24Å; D199-R203 PolarHBondContact O-N 3.39Å; N200-R203 PolarHBondContact O-N 3.42Å |
| 204 | I | 67.7 | Low | 60.5 | Low | 37 Ų | 37 | 68 Ų | 68 | 19% | 0.19 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -87.9 | -47.7 | -179.2 | -65.8 | 168.6 | 0 | 0 | 0 | 111.3 | V8 L38 N200 L201 A202 V206 D207 F210 | V8-I204 HydrophobicContact CB-CD1 4.19Å; V8-I204 HydrophobicContact CG1-CD1 3.26Å; V8-I204 HydrophobicContact CG2-CD1 3.89Å; L38-I204 HydrophobicContact CD1-CG2 3.96Å; L38-I204 HydrophobicContact CG-CG2 4.45Å; N200-I204 WeakPolarHBondContact O-CG1 3.34Å; N200-I204 PolarHBondContact O-N 2.92Å; N200-I204 VanDerWaalsContact O-N 3.14Å; L201-I204 PolarHBondContact O-N 3.5Å; A202-I204 PolarHBondContact O-N 2.73Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 3.21Å; I204-D207 PolarHBondContact O-N 2.89Å; I204-F210 HydrophobicContact CG2-CD2 3.95Å; I204-F210 HydrophobicContact CG2-CE1 4.13Å; I204-F210 HydrophobicContact CG2-CE2 3.42Å; I204-F210 VanDerWaalsContact CG2-CE2 3.42Å; I204-F210 HydrophobicContact CG2-CZ 3.52Å; I204-F210 WeakPolarHBondContact O-CD2 3.46Å; I204-F210 WeakPolarHBondContact O-CG 3.49Å |
| 205 | V | 63.3 | Low | 58 | Low | 24 Ų | 24 | 70.3 Ų | 70.3 | 15% | 0.145 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.4 | -21.5 | -177.3 | 177.7 | 0 | 0 | 0 | 0 | 112.8 | L38 F162 L201 A202 | L38-V205 HydrophobicContact CD1-CG2 4.4Å; F162-V205 HydrophobicContact CD1-CG2 4.26Å; F162-V205 HydrophobicContact CE1-CB 4.31Å; F162-V205 HydrophobicContact CE1-CG2 4.39Å; L201-V205 VanDerWaalsContact O-CB 3.29Å; L201-V205 WeakPolarHBondContact O-CB 3.09Å; L201-V205 VanDerWaalsContact O-CG2 3.3Å; L201-V205 WeakPolarHBondContact O-CG2 3.46Å; L201-V205 PolarHBondContact O-N 3.2Å; A202-V205 PolarHBondContact O-N 2.89Å |
| 206 | V | 52.4 | Low | 55.8 | Low | 117 Ų | 117 | 72.1 Ų | 72.1 | 71% | 0.709 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -11 | 174.7 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | A202 I204 | A202-V206 WeakPolarHBondContact O-CB 3.33Å; A202-V206 WeakPolarHBondContact O-CG2 3.46Å; A202-V206 PolarHBondContact O-N 2.57Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 3.21Å |
| 207 | D | 46.7 | Very low | 53.6 | Low | 55 Ų | 55 | 71.7 Ų | 71.7 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -68.3 | 136.6 | 170.7 | -174.6 | 17 | 0 | 0 | 0 | 110.1 | I204 R209 F210 | I204-D207 PolarHBondContact O-N 2.89Å; D207-R209 PolarHBondContact O-N 2.84Å; D207-R209 IonicContact OD2-CZ 3.19Å; D207-R209 IonicContact OD2-NE 3.31Å; D207-R209 PolarHBondContact OD2-NE 2.73Å; D207-R209 IonicContact OD2-NH2 2.73Å; D207-R209 PolarHBondContact OD2-NH2 3.08Å; D207-F210 PolarHBondContact O-N 3.17Å |
| 208 | N | 39.9 | Very low | 50.9 | Low | 133 Ų | 133 | 73.9 Ų | 73.9 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -4.2 | -169.8 | -73.1 | -57.9 | 0 | 0 | 0 | 115.1 | | |
| 209 | R | 35.7 | Very low | 48.6 | Very low | 148 Ų | 148 | 82.6 Ų | 82.6 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -42.2 | 170.3 | -78.2 | -180 | -81.6 | -159.5 | -1.4 | 112.4 | D36 D207 R211 | D36-R209 WeakPolarHBondContact CB-O 3.3Å; D36-R209 WeakPolarHBondContact OD1-CB 3.44Å; D207-R209 PolarHBondContact O-N 2.84Å; D207-R209 IonicContact OD2-CZ 3.19Å; D207-R209 IonicContact OD2-NE 3.31Å; D207-R209 PolarHBondContact OD2-NE 2.73Å; D207-R209 IonicContact OD2-NH2 2.73Å; D207-R209 PolarHBondContact OD2-NH2 3.08Å; R209-R211 PolarHBondContact O-N 3.21Å; R209-R211 VanDerWaalsContact O-N 3.14Å |
| 210 | F | 39.9 | Very low | 46.3 | Very low | 27 Ų | 27 | 81.7 Ų | 81.7 | 12% | 0.118 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -77.9 | 103 | -174.4 | -83 | -99.6 | 0 | 0 | 0 | 111.2 | L30 D36 L38 I204 D207 V212 | L30-F210 HydrophobicContact CD2-CE2 4.42Å; L30-F210 HydrophobicContact CD2-CZ 3.9Å; D36-F210 WeakPolarHBondContact O-CD1 3.2Å; D36-F210 WeakPolarHBondContact O-CE1 3.23Å; L38-F210 HydrophobicContact CB-CE1 4.33Å; L38-F210 HydrophobicContact CD1-CE1 3.95Å; L38-F210 HydrophobicContact CD1-CZ 4.36Å; L38-F210 HydrophobicContact CG-CE1 3.8Å; L38-F210 HydrophobicContact CG-CZ 4.01Å; I204-F210 HydrophobicContact CG2-CD2 3.95Å; I204-F210 HydrophobicContact CG2-CE1 4.13Å; I204-F210 HydrophobicContact CG2-CE2 3.42Å; I204-F210 VanDerWaalsContact CG2-CE2 3.42Å; I204-F210 HydrophobicContact CG2-CZ 3.52Å; I204-F210 WeakPolarHBondContact O-CD2 3.46Å; I204-F210 WeakPolarHBondContact O-CG 3.49Å; D207-F210 PolarHBondContact O-N 3.17Å; F210-V212 PolarHBondContact O-N 2.87Å |
| 211 | R | 37.5 | Very low | 44.2 | Very low | 107 Ų | 107 | 81.2 Ų | 81.2 | 40% | 0.404 | 45% | 0.445 | S | S | . | . | | | trans | -68.9 | 101.2 | 178.9 | -74.1 | -176 | 173.5 | -173.5 | 1.1 | 111.7 | R209 T213 Y369 | R209-R211 PolarHBondContact O-N 3.21Å; R209-R211 VanDerWaalsContact O-N 3.14Å; R211-T213 PolarHBondContact O-N 2.94Å; R211-T213 PolarHBondContact O-OG1 2.87Å; R211-Y369 PolarHBondContact NE-OH 2.91Å; R211-Y369 PolarHBondContact NH2-OH 3.1Å |
| 212 | V | 33.1 | Very low | 42.1 | Very low | 114 Ų | 114 | 90.3 Ų | 90.3 | 69% | 0.691 | 48% | 0.484 | S | S | * | . | | | trans | -56.7 | 102.1 | 162.8 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | F210 | F210-V212 PolarHBondContact O-N 2.87Š|
| 213 | T | 30.9 | Very low | 40.2 | Very low | 31 Ų | 31 | 94.3 Ų | 94.3 | 19% | 0.19 | 50% | 0.5 | C | S | . | . | | | trans | -113.4 | 103.2 | -173.3 | -52.1 | 0 | 0 | 0 | 0 | 108.7 | Y129 R211 R215 | Y129-T213 HydrophobicContact CD2-CG2 4.33Å; R211-T213 PolarHBondContact O-N 2.94Å; R211-T213 PolarHBondContact O-OG1 2.87Å; T213-R215 VanDerWaalsContact C-N 3.31Å; T213-R215 HydrophobicContact CG2-CG 3.96Å; T213-R215 WeakPolarHBondContact O-CG 3.32Å; T213-R215 PolarHBondContact O-N 3.35Å |
| 214 | L | 32 | Very low | 38.2 | Very low | 111 Ų | 111 | 93.8 Ų | 93.8 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | | | trans | -67.4 | 91.4 | 170.2 | -87.4 | 163.5 | 0 | 0 | 0 | 109.3 | F371 | L214-F371 HydrophobicContact CB-CE2 3.99Å; L214-F371 HydrophobicContact CD1-CD2 4.28Å; L214-F371 HydrophobicContact CD1-CE1 4.15Å; L214-F371 HydrophobicContact CD1-CE2 3.47Å; L214-F371 VanDerWaalsContact CD1-CE2 3.47Å; L214-F371 HydrophobicContact CD1-CZ 3.39Å; L214-F371 HydrophobicContact CG-CE2 4.34Å |
| 215 | R | 31.8 | Very low | 36.5 | Very low | 51 Ų | 51 | 99.9 Ų | 99.9 | 19% | 0.192 | 53% | 0.531 | C | S | . | . | | | trans | -80.2 | 131.7 | 177.1 | -56.4 | -161 | 176.7 | -166.1 | -1 | 109 | Y129 T136 E158 T213 S217 | Y129-R215 HydrophobicContact CD2-CG 4.4Å; Y129-R215 HydrophobicContact CE2-CB 3.85Å; Y129-R215 HydrophobicContact CE2-CG 3.77Å; T136-R215 PolarHBondContact OG1-NH2 2.89Å; E158-R215 IonicContact OE1-NH2 2.77Å; T213-R215 VanDerWaalsContact C-N 3.31Å; T213-R215 HydrophobicContact CG2-CG 3.96Å; T213-R215 WeakPolarHBondContact O-CG 3.32Å; T213-R215 PolarHBondContact O-N 3.35Å; R215-S217 PolarHBondContact O-N 3.25Å; R215-S217 VanDerWaalsContact O-N 3.08Å |
| 216 | H | 34.5 | Very low | 34.9 | Very low | 132 Ų | 132 | 101.2 Ų | 101.2 | 61% | 0.611 | 55% | 0.55 | S | S | * | . | | | trans | -65.2 | 110.1 | 156.4 | -177.7 | 2.3 | 0 | 0 | 0 | 106.9 | G218 Q225 | H216-G218 PolarHBondContact O-N 3.43Å; H216-Q225 PolarHBondContact CE1-NE2 3.5Å; H216-Q225 VanDerWaalsContact CE1-NE2 3.33Å; H216-Q225 PolarHBondContact NE2-NE2 3.03Å; H216-Q225 VanDerWaalsContact NE2-NE2 3.15Å |
| 217 | S | 33.7 | Very low | 34 | Very low | 56 Ų | 56 | 99.4 Ų | 99.4 | 39% | 0.392 | 54% | 0.536 | S | S | . | . | | | trans | -68.8 | 124.5 | 179.9 | -46.6 | 0 | 0 | 0 | 0 | 109.8 | R215 S221 | R215-S217 PolarHBondContact O-N 3.25Å; R215-S217 VanDerWaalsContact O-N 3.08Å; S217-S221 VanDerWaalsContact CB-OG 3.26Å; S217-S221 WeakPolarHBondContact CB-OG 3.46Å |
| 218 | G | 30.1 | Very low | 33.9 | Very low | 55 Ų | 55 | 104.1 Ų | 104.1 | 57% | 0.567 | 56% | 0.556 | S | S | * | * | | | trans | -69.6 | 173.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | H216 G220 S221 | H216-G218 PolarHBondContact O-N 3.43Å; G218-G220 PolarHBondContact O-N 2.92Å; G218-S221 WeakPolarHBondContact O-CB 3.16Å; G218-S221 PolarHBondContact O-N 3.15Å |
| 219 | D | 32.3 | Very low | 34 | Very low | 187 Ų | 187 | 98.2 Ų | 98.2 | 100% | 1 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 108.8 | -177.6 | -64.2 | -40.9 | 0 | 0 | 0 | 112.1 | | |
| 220 | G | 31.6 | Very low | 34.7 | Very low | 76 Ų | 76 | 92.5 Ų | 92.5 | 78% | 0.784 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 127.9 | -17.7 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G218 K222 | G218-G220 PolarHBondContact O-N 2.92Å; G220-K222 PolarHBondContact O-N 2.96Å |
| 221 | S | 34.2 | Very low | 35.5 | Very low | 42 Ų | 42 | 91.8 Ų | 91.8 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | | | trans | -49.3 | 132.5 | 164 | 177 | 0 | 0 | 0 | 0 | 112 | S217 G218 L223 | S217-S221 VanDerWaalsContact CB-OG 3.26Å; S217-S221 WeakPolarHBondContact CB-OG 3.46Å; G218-S221 WeakPolarHBondContact O-CB 3.16Å; G218-S221 PolarHBondContact O-N 3.15Å; S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact OG-N 2.89Å; S221-L223 VanDerWaalsContact OG-N 3.09Å; S221-L223 PolarHBondContact OG-O 2.92Å; S221-L223 VanDerWaalsContact OG-O 3.07Å |
| 222 | K | 34.8 | Very low | 36.6 | Very low | 191 Ų | 191 | 87.9 Ų | 87.9 | 83% | 0.83 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -81.7 | -6.8 | 170.8 | -69.7 | 179.4 | -178 | 168.8 | 0 | 113.5 | G220 F224 | G220-K222 PolarHBondContact O-N 2.96Å; K222-F224 PolarHBondContact O-N 3.4Å |
| 223 | L | 33 | Very low | 37.8 | Very low | 114 Ų | 114 | 82.5 Ų | 82.5 | 60% | 0.597 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -83.7 | 94 | 160.7 | -66.7 | 176.6 | 0 | 0 | 0 | 107.8 | S221 L227 | S221-L223 VanDerWaalsContact C-N 3.27Å; S221-L223 PolarHBondContact OG-N 2.89Å; S221-L223 VanDerWaalsContact OG-N 3.09Å; S221-L223 PolarHBondContact OG-O 2.92Å; S221-L223 VanDerWaalsContact OG-O 3.07Å; L223-L227 HydrophobicContact CD2-CD1 3.94Å |
| 224 | F | 27.8 | Very low | 39.2 | Very low | 161 Ų | 161 | 81.1 Ų | 81.1 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | | | trans | -57.2 | 138.1 | 169.8 | -67.2 | -92 | 0 | 0 | 0 | 110.4 | K222 G226 L227 | K222-F224 PolarHBondContact O-N 3.4Å; F224-G226 PolarHBondContact O-N 2.86Å; F224-L227 HydrophobicContact CB-CD1 4.43Å; F224-L227 HydrophobicContact CB-CG 4.29Å; F224-L227 HydrophobicContact CD2-CD1 4.34Å; F224-L227 PolarHBondContact O-N 3.49Å; F224-L227 VanDerWaalsContact O-N 3.14Å |
| 225 | Q | 31.4 | Very low | 40 | Very low | 165 Ų | 165 | 76.4 Ų | 76.4 | 77% | 0.771 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 131.6 | 154.4 | -76.9 | 179.6 | -18.7 | 0 | 0 | 108 | H216 | H216-Q225 PolarHBondContact CE1-NE2 3.5Å; H216-Q225 VanDerWaalsContact CE1-NE2 3.33Å; H216-Q225 PolarHBondContact NE2-NE2 3.03Å; H216-Q225 VanDerWaalsContact NE2-NE2 3.15Å |
| 226 | G | 29.2 | Very low | 40.5 | Very low | 53 Ų | 53 | 77.9 Ų | 77.9 | 55% | 0.546 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 7.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116 | F224 Q228 | F224-G226 PolarHBondContact O-N 2.86Å; G226-Q228 PolarHBondContact O-N 3.4Å |
| 227 | L | 33.3 | Very low | 41 | Very low | 78 Ų | 78 | 76 Ų | 76 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | | | trans | -60.7 | 133.4 | 163.1 | -111.6 | 167 | 0 | 0 | 0 | 109.7 | L223 F224 G229 | L223-L227 HydrophobicContact CD2-CD1 3.94Å; F224-L227 HydrophobicContact CB-CD1 4.43Å; F224-L227 HydrophobicContact CB-CG 4.29Å; F224-L227 HydrophobicContact CD2-CD1 4.34Å; F224-L227 PolarHBondContact O-N 3.49Å; F224-L227 VanDerWaalsContact O-N 3.14Å; L227-G229 PolarHBondContact O-N 3.46Å |
| 228 | Q | 44.4 | Very low | 41.9 | Very low | 154 Ų | 154 | 76.6 Ų | 76.6 | 72% | 0.72 | 42% | 0.418 | S | S | * | . | | | trans | -73.7 | 41.3 | 177.4 | -65.3 | -175.1 | -14.6 | 0 | 0 | 113.1 | G226 | G226-Q228 PolarHBondContact O-N 3.4Š|
| 229 | G | 43.4 | Very low | 43 | Very low | 9 Ų | 9 | 75.4 Ų | 75.4 | 9% | 0.093 | 40% | 0.401 | C | S | . | . | | | trans | -70.7 | 134.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L227 L256 | L227-G229 PolarHBondContact O-N 3.46Å; G229-L256 WeakPolarHBondContact O-CG 2.93Å; G229-L256 PolarHBondContact O-N 2.72Å |
| 230 | S | 49.1 | Very low | 43.6 | Very low | 29 Ų | 29 | 70.7 Ų | 70.7 | 20% | 0.203 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.8 | 172.2 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | H232 W254 | S230-H232 PolarHBondContact O-CD2 2.9Å; S230-H232 PolarHBondContact O-N 3.45Å; S230-H232 PolarHBondContact OG-CD2 2.84Å; S230-H232 PolarHBondContact OG-NE2 2.84Å; S230-W254 CarbonylContact C-O 3.4Å; S230-W254 WeakPolarHBondContact CA-O 2.93Å |
| 231 | L | 58.1 | Low | 44.3 | Very low | 11 Ų | 11 | 73.9 Ų | 73.9 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 99 | 173.1 | -179.2 | 60.1 | 0 | 0 | 0 | 108.5 | V233 L238 L240 N253 W254 L256 M373 | L231-V233 PolarHBondContact O-N 3.08Å; L231-L238 HydrophobicContact CD1-CB 4Å; L231-L238 HydrophobicContact CD1-CD2 4.37Å; L231-L240 HydrophobicContact CD1-CD2 3.9Å; L231-L240 HydrophobicContact CD1-CG 4.23Å; L231-N253 WeakPolarHBondContact O-CA 3.35Å; L231-N253 WeakPolarHBondContact O-CB 3.32Å; L231-W254 HydrophobicContact CD2-CE3 4.19Å; L231-W254 PolarHBondContact N-O 3.45Å; L231-W254 PolarHBondContact O-N 2.69Å; L231-L256 HydrophobicContact CB-CD2 4.21Å; L231-M373 HydrophobicContact CD2-CE 3.6Å; L231-M373 HydrophobicContact CD2-SD 4.05Å |
| 232 | H | 59.4 | Low | 44.6 | Very low | 26 Ų | 26 | 73.8 Ų | 73.8 | 12% | 0.12 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 108.8 | 179.1 | -74.9 | -169.4 | 0 | 0 | 0 | 109 | S230 Q234 C239 G242 F250 N253 | S230-H232 PolarHBondContact O-CD2 2.9Å; S230-H232 PolarHBondContact O-N 3.45Å; S230-H232 PolarHBondContact OG-CD2 2.84Å; S230-H232 PolarHBondContact OG-NE2 2.84Å; H232-Q234 PolarHBondContact O-N 3.15Å; H232-C239 HydrophobicContact CB-CB 4.39Å; H232-C239 PolarHBondContact N-O 3.06Å; H232-C239 PolarHBondContact O-N 2.91Å; H232-G242 PolarHBondContact CE1-O 2.73Å; H232-G242 PolarHBondContact ND1-O 2.97Å; H232-F250 HydrophobicContact CB-CD2 4.48Å; H232-F250 HydrophobicContact CB-CE2 4.18Å; H232-F250 AromaticContact CG-CE2 3.86Å; H232-N253 WeakPolarHBondContact CD2-CB 3.12Å; H232-N253 PolarHBondContact NE2-ND2 3.13Å; H232-N253 VanDerWaalsContact NE2-ND2 3.1Å |
| 233 | V | 58.1 | Low | 45 | Very low | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 103 | 174.3 | -172.2 | 0 | 0 | 0 | 0 | 107.6 | L231 L238 I251 C252 W254 I402 | L231-V233 PolarHBondContact O-N 3.08Å; V233-L238 HydrophobicContact CB-CD2 4.28Å; V233-L238 HydrophobicContact CG1-CD2 4.13Å; V233-L238 HydrophobicContact CG2-CD2 3.9Å; V233-I251 PolarHBondContact O-N 3.29Å; V233-C252 WeakPolarHBondContact CA-O 3.45Å; V233-C252 WeakPolarHBondContact CB-O 3.28Å; V233-C252 PolarHBondContact N-O 2.75Å; V233-C252 PolarHBondContact O-N 2.96Å; V233-W254 HydrophobicContact CG2-CE3 3.77Å; V233-W254 HydrophobicContact CG2-CH2 3.84Å; V233-W254 HydrophobicContact CG2-CZ3 3.37Å; V233-I402 HydrophobicContact CG1-CB 4.36Å; V233-I402 HydrophobicContact CG1-CD1 3.26Å; V233-I402 HydrophobicContact CG1-CG1 3.81Å; V233-I402 HydrophobicContact CG1-CG2 3.74Å |
| 234 | Q | 60.5 | Low | 45.7 | Very low | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.6 | 176.1 | -60.1 | 173.3 | 37.2 | 0 | 0 | 108.2 | H232 W236 R237 C239 P244 S245 C248 K249 | H232-Q234 PolarHBondContact O-N 3.15Å; Q234-W236 PolarHBondContact O-N 3.26Å; Q234-R237 CarbonylContact C-O 3.44Å; Q234-R237 WeakPolarHBondContact CA-O 3.22Å; Q234-R237 WeakPolarHBondContact CB-O 3.38Å; Q234-R237 PolarHBondContact N-O 2.92Å; Q234-R237 PolarHBondContact O-N 2.72Å; Q234-C239 PolarHBondContact NE2-SG 3.3Å; Q234-C239 VanDerWaalsContact NE2-SG 3.41Å; Q234-P244 HydrophobicContact CG-CB 4.42Å; Q234-S245 PolarHBondContact OE1-OG 3.48Å; Q234-C248 HydrophobicContact CB-CB 4.05Å; Q234-K249 WeakPolarHBondContact CA-O 3.43Å |
| 235 | H | 49.9 | Very low | 46.6 | Very low | 12 Ų | 12 | 64.5 Ų | 64.5 | 6% | 0.056 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -38 | -168.3 | -176.1 | 117.2 | 0 | 0 | 0 | 114.3 | K249 I251 T399 E403 V1310 | H235-K249 HydrophobicContact CB-CB 4.1Å; H235-K249 WeakPolarHBondContact CB-O 3.5Å; H235-K249 PolarHBondContact N-O 3.32Å; H235-I251 HydrophobicContact CB-CD1 4.08Å; H235-I251 HydrophobicContact CB-CG1 4.41Å; H235-T399 VanDerWaalsContact O-CB 3.27Å; H235-T399 WeakPolarHBondContact O-CB 3.31Å; H235-T399 WeakPolarHBondContact O-CG2 3.14Å; H235-T399 PolarHBondContact O-OG1 3.04Å; H235-E403 IonicContact CE1-OE1 2.61Å; H235-E403 PolarHBondContact CE1-OE1 3.42Å; H235-E403 IonicContact CE1-OE2 3.73Å; H235-E403 PolarHBondContact CE1-OE2 3.47Å; H235-E403 IonicContact ND1-OE1 3.31Å; H235-E403 PolarHBondContact ND1-OE1 3.4Å; H235-V1310 HydrophobicContact CB-CG2 4.44Å |
| 236 | W | 41.6 | Very low | 47.3 | Very low | 82 Ų | 82 | 63.3 Ų | 63.3 | 31% | 0.311 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 6 | 173.6 | -55.9 | 108.4 | 0 | 0 | 0 | 115.5 | Q234 L395 A396 T399 G1309 | Q234-W236 PolarHBondContact O-N 3.26Å; W236-L395 VanDerWaalsContact O-CD2 3.26Å; W236-L395 WeakPolarHBondContact O-CD2 3.4Å; W236-L395 WeakPolarHBondContact O-CG 3.24Å; W236-A396 HydrophobicContact CZ3-CB 4.21Å; W236-T399 HydrophobicContact CD2-CG2 4.48Å; W236-T399 HydrophobicContact CE3-CG2 3.99Å; W236-T399 VanDerWaalsContact CE3-OG1 3.25Å; W236-T399 HydrophobicContact CH2-CG2 4.22Å; W236-T399 HydrophobicContact CZ3-CG2 3.85Å; W236-G1309 PolarHBondContact NE1-O 2.91Å |
| 237 | R | 45.2 | Very low | 48.1 | Very low | 93 Ų | 93 | 63.2 Ų | 63.2 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 149.9 | -174.2 | -71.3 | -163.4 | -177.8 | 163.9 | 4 | 114.4 | Q234 H1308 | Q234-R237 CarbonylContact C-O 3.44Å; Q234-R237 WeakPolarHBondContact CA-O 3.22Å; Q234-R237 WeakPolarHBondContact CB-O 3.38Å; Q234-R237 PolarHBondContact N-O 2.92Å; Q234-R237 PolarHBondContact O-N 2.72Å; R237-H1308 VanDerWaalsContact CD-NE2 3.3Å; R237-H1308 WeakPolarHBondContact CD-NE2 3.34Å; R237-H1308 VanDerWaalsContact CZ-NE2 3.27Å; R237-H1308 PolarHBondContact NE-NE2 2.89Å |
| 238 | L | 52.7 | Low | 48.8 | Very low | 68 Ų | 68 | 60.1 Ų | 60.1 | 36% | 0.356 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 130.2 | 161.9 | -64.2 | -179.6 | 0 | 0 | 0 | 109.5 | L231 V233 L398 | L231-L238 HydrophobicContact CD1-CB 4Å; L231-L238 HydrophobicContact CD1-CD2 4.37Å; V233-L238 HydrophobicContact CB-CD2 4.28Å; V233-L238 HydrophobicContact CG1-CD2 4.13Å; V233-L238 HydrophobicContact CG2-CD2 3.9Å; L238-L398 HydrophobicContact CD1-CD2 4Å; L238-L398 HydrophobicContact CD2-CD2 4.36Å; L238-L398 HydrophobicContact CG-CD2 4Å |
| 239 | C | 52.2 | Low | 49.3 | Very low | 31 Ų | 31 | 58.5 Ų | 58.5 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.4 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 110 | H232 Q234 | H232-C239 HydrophobicContact CB-CB 4.39Å; H232-C239 PolarHBondContact N-O 3.06Å; H232-C239 PolarHBondContact O-N 2.91Å; Q234-C239 PolarHBondContact NE2-SG 3.3Å; Q234-C239 VanDerWaalsContact NE2-SG 3.41Å |
| 240 | L | 45.7 | Very low | 50 | Low | 88 Ų | 88 | 61.9 Ų | 61.9 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -81.1 | -27.9 | -173.8 | -77 | 159.8 | 0 | 0 | 0 | 114.2 | L231 L256 | L231-L240 HydrophobicContact CD1-CD2 3.9Å; L231-L240 HydrophobicContact CD1-CG 4.23Å; L240-L256 HydrophobicContact CD2-CD1 3.86Å; L240-L256 HydrophobicContact CD2-CD2 3.8Å; L240-L256 HydrophobicContact CD2-CG 4.38Å |
| 241 | I | 46.4 | Very low | 50.3 | Low | 143 Ų | 143 | 61.2 Ų | 61.2 | 73% | 0.733 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -147.7 | 125.3 | 178.9 | -51.6 | 178.1 | 0 | 0 | 0 | 107.3 | | |
| 242 | G | 40.6 | Very low | 50.2 | Low | 39 Ų | 39 | 61.6 Ų | 61.6 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | S | Bend | trans | 136.4 | 154.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115 | H232 | H232-G242 PolarHBondContact CE1-O 2.73Å; H232-G242 PolarHBondContact ND1-O 2.97Å |
| 243 | E | 43.6 | Very low | 50.4 | Low | 178 Ų | 178 | 63.4 Ų | 63.4 | 83% | 0.832 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -59.3 | 156.3 | 171.7 | -67 | -170.8 | 152.2 | 0 | 0 | 111.6 | S245 | E243-S245 PolarHBondContact O-N 2.86Š|
| 244 | P | 47.1 | Very low | 50.3 | Low | 61 Ų | 61 | 64.2 Ų | 64.2 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 132.4 | 175.6 | 23.5 | -33.3 | 0 | 0 | 0 | 111.6 | Q234 T246 F250 | Q234-P244 HydrophobicContact CG-CB 4.42Å; P244-T246 PolarHBondContact O-N 3.47Å; P244-F250 HydrophobicContact CB-CB 4.04Å; P244-F250 HydrophobicContact CG-CB 4.31Å |
| 245 | S | 46.1 | Very low | 50 | Low | 33 Ų | 33 | 69 Ų | 69 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 135.5 | 179.7 | -41.2 | 0 | 0 | 0 | 0 | 109.4 | Q234 E243 G247 C248 | Q234-S245 PolarHBondContact OE1-OG 3.48Å; E243-S245 PolarHBondContact O-N 2.86Å; S245-G247 PolarHBondContact O-N 3.33Å; S245-G247 VanDerWaalsContact O-N 3.12Å; S245-C248 WeakPolarHBondContact O-CB 3.33Å; S245-C248 PolarHBondContact O-N 3.17Å |
| 246 | T | 46.8 | Very low | 50.2 | Low | 139 Ų | 139 | 71.9 Ų | 71.9 | 85% | 0.853 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 121 | 172.8 | 48.5 | 0 | 0 | 0 | 0 | 109.7 | P244 | P244-T246 PolarHBondContact O-N 3.47Š|
| 247 | G | 45.6 | Very low | 50.7 | Low | 52 Ų | 52 | 70.9 Ų | 70.9 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | -4.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S245 | S245-G247 PolarHBondContact O-N 3.33Å; S245-G247 VanDerWaalsContact O-N 3.12Å |
| 248 | C | 49.3 | Very low | 51.1 | Low | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.081 | 38% | 0.376 | C | S | . | . | | | trans | -108.2 | 119.1 | 173.8 | -90.4 | 0 | 0 | 0 | 0 | 112.1 | Q234 S245 F250 H1308 | Q234-C248 HydrophobicContact CB-CB 4.05Å; S245-C248 WeakPolarHBondContact O-CB 3.33Å; S245-C248 PolarHBondContact O-N 3.17Å; C248-F250 PolarHBondContact O-N 2.72Å; C248-H1308 PolarHBondContact SG-CD2 2.98Å; C248-H1308 PolarHBondContact SG-NE2 2.86Å; C248-H1308 VanDerWaalsContact SG-NE2 3.42Å |
| 249 | K | 54.7 | Low | 51.1 | Low | 121 Ų | 121 | 67.3 Ų | 67.3 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | | | trans | -64.5 | 117.8 | 169.5 | -178.3 | -179.6 | 177.8 | -171.7 | 0 | 109.5 | Q234 H235 | Q234-K249 WeakPolarHBondContact CA-O 3.43Å; H235-K249 HydrophobicContact CB-CB 4.1Å; H235-K249 WeakPolarHBondContact CB-O 3.5Å; H235-K249 PolarHBondContact N-O 3.32Å |
| 250 | F | 58.2 | Low | 50.8 | Low | 79 Ų | 79 | 70 Ų | 70 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 130.6 | 167.5 | 178 | -89.5 | 0 | 0 | 0 | 109.2 | H232 P244 C248 C252 N253 | H232-F250 HydrophobicContact CB-CD2 4.48Å; H232-F250 HydrophobicContact CB-CE2 4.18Å; H232-F250 AromaticContact CG-CE2 3.86Å; P244-F250 HydrophobicContact CB-CB 4.04Å; P244-F250 HydrophobicContact CG-CB 4.31Å; C248-F250 PolarHBondContact O-N 2.72Å; F250-C252 WeakPolarHBondContact CE2-O 3.48Å; F250-C252 WeakPolarHBondContact CZ-O 3.16Å; F250-N253 HydrophobicContact CE2-CB 3.94Å; F250-N253 HydrophobicContact CZ-CB 3.72Å |
| 251 | I | 54.6 | Low | 50.6 | Low | 15 Ų | 15 | 70.8 Ų | 70.8 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -54.7 | 179.1 | -54.3 | 174.3 | 0 | 0 | 0 | 110.9 | V233 H235 I402 E403 T406 | V233-I251 PolarHBondContact O-N 3.29Å; H235-I251 HydrophobicContact CB-CD1 4.08Å; H235-I251 HydrophobicContact CB-CG1 4.41Å; I251-I402 HydrophobicContact CB-CG2 3.94Å; I251-I402 HydrophobicContact CD1-CB 4.08Å; I251-I402 HydrophobicContact CD1-CG2 3.82Å; I251-I402 HydrophobicContact CG1-CG2 4.48Å; I251-I402 HydrophobicContact CG2-CG2 3.49Å; I251-I402 VanDerWaalsContact CG2-CG2 3.49Å; I251-E403 HydrophobicContact CD1-CG 4.33Å; I251-T406 HydrophobicContact CG2-CG2 4.23Å; I251-T406 WeakPolarHBondContact CG2-OG1 3.41Å |
| 252 | C | 55.8 | Low | 50.4 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 171.3 | 176.1 | 61.4 | 0 | 0 | 0 | 0 | 111.6 | V233 F250 | V233-C252 WeakPolarHBondContact CA-O 3.45Å; V233-C252 WeakPolarHBondContact CB-O 3.28Å; V233-C252 PolarHBondContact N-O 2.75Å; V233-C252 PolarHBondContact O-N 2.96Å; F250-C252 WeakPolarHBondContact CE2-O 3.48Å; F250-C252 WeakPolarHBondContact CZ-O 3.16Å |
| 253 | N | 63.8 | Low | 50.4 | Low | 64 Ų | 64 | 67.1 Ų | 67.1 | 34% | 0.342 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 146.8 | 162.8 | 61.3 | -6.3 | 0 | 0 | 0 | 112.3 | L231 H232 F250 | L231-N253 WeakPolarHBondContact O-CA 3.35Å; L231-N253 WeakPolarHBondContact O-CB 3.32Å; H232-N253 WeakPolarHBondContact CD2-CB 3.12Å; H232-N253 PolarHBondContact NE2-ND2 3.13Å; H232-N253 VanDerWaalsContact NE2-ND2 3.1Å; F250-N253 HydrophobicContact CE2-CB 3.94Å; F250-N253 HydrophobicContact CZ-CB 3.72Å |
| 254 | W | 56.3 | Low | 50.1 | Low | 17 Ų | 17 | 60 Ų | 60 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 133.8 | 167.7 | -59.1 | -58.7 | 0 | 0 | 0 | 108 | S230 L231 V233 M373 S379 F388 | S230-W254 CarbonylContact C-O 3.4Å; S230-W254 WeakPolarHBondContact CA-O 2.93Å; L231-W254 HydrophobicContact CD2-CE3 4.19Å; L231-W254 PolarHBondContact N-O 3.45Å; L231-W254 PolarHBondContact O-N 2.69Å; V233-W254 HydrophobicContact CG2-CE3 3.77Å; V233-W254 HydrophobicContact CG2-CH2 3.84Å; V233-W254 HydrophobicContact CG2-CZ3 3.37Å; W254-M373 HydrophobicContact CE3-SD 4.3Å; W254-S379 WeakPolarHBondContact CB-OG 3.21Å; W254-S379 VanDerWaalsContact CD1-O 3.32Å; W254-F388 AromaticContact CE2-CZ 3.96Å; W254-F388 HydrophobicContact CH2-CD1 4.29Å; W254-F388 HydrophobicContact CH2-CD2 4.39Å; W254-F388 AromaticContact CH2-CE1 3.64Å; W254-F388 HydrophobicContact CH2-CE1 3.64Å; W254-F388 AromaticContact CH2-CE2 3.76Å; W254-F388 HydrophobicContact CH2-CE2 3.76Å; W254-F388 AromaticContact CH2-CZ 3.36Å; W254-F388 HydrophobicContact CH2-CZ 3.36Å; W254-F388 AromaticContact CZ2-CE1 3.77Å; W254-F388 HydrophobicContact CZ2-CE1 3.77Å; W254-F388 AromaticContact CZ2-CE2 3.76Å; W254-F388 HydrophobicContact CZ2-CE2 3.76Å; W254-F388 AromaticContact CZ2-CZ 3.16Å; W254-F388 HydrophobicContact CZ2-CZ 3.16Å; W254-F388 HydrophobicContact CZ3-CE2 4.27Å; W254-F388 HydrophobicContact CZ3-CZ 4.29Å |
| 255 | R | 54.9 | Low | 49.5 | Very low | 103 Ų | 103 | 59.6 Ų | 59.6 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 139.8 | 167.9 | -61.2 | 167.8 | 53 | 131.9 | -6.2 | 108.2 | D257 H258 | R255-D257 WeakPolarHBondContact CB-OD1 3.41Å; R255-D257 IonicContact CZ-OD1 3.23Å; R255-D257 IonicContact CZ-OD2 3.03Å; R255-D257 IonicContact NE-OD1 2.87Å; R255-D257 PolarHBondContact NE-OD1 2.83Å; R255-D257 IonicContact NE-OD2 3.04Å; R255-D257 PolarHBondContact NE-OD2 2.87Å; R255-D257 IonicContact NH2-OD1 2.76Å; R255-D257 IonicContact NH2-OD2 3.84Å; R255-D257 PolarHBondContact NH2-OD2 3.31Å; R255-D257 PolarHBondContact O-N 2.8Å; R255-H258 PolarHBondContact O-N 3.14Å |
| 256 | L | 53 | Low | 49 | Very low | 71 Ų | 71 | 59.4 Ų | 59.4 | 37% | 0.372 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -66.2 | -21.5 | -177.4 | -67.3 | 170.2 | 0 | 0 | 0 | 112.8 | G229 L231 L240 H258 V259 | G229-L256 WeakPolarHBondContact O-CG 2.93Å; G229-L256 PolarHBondContact O-N 2.72Å; L231-L256 HydrophobicContact CB-CD2 4.21Å; L240-L256 HydrophobicContact CD2-CD1 3.86Å; L240-L256 HydrophobicContact CD2-CD2 3.8Å; L240-L256 HydrophobicContact CD2-CG 4.38Å; L256-H258 PolarHBondContact O-N 3.26Å; L256-V259 PolarHBondContact O-N 2.7Å |
| 257 | D | 52.5 | Low | 48.5 | Very low | 61 Ų | 61 | 57.3 Ų | 57.3 | 33% | 0.326 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -76.9 | 1.2 | 172.9 | 61.5 | -6.1 | 0 | 0 | 0 | 114.3 | R255 | R255-D257 WeakPolarHBondContact CB-OD1 3.41Å; R255-D257 IonicContact CZ-OD1 3.23Å; R255-D257 IonicContact CZ-OD2 3.03Å; R255-D257 IonicContact NE-OD1 2.87Å; R255-D257 PolarHBondContact NE-OD1 2.83Å; R255-D257 IonicContact NE-OD2 3.04Å; R255-D257 PolarHBondContact NE-OD2 2.87Å; R255-D257 IonicContact NH2-OD1 2.76Å; R255-D257 IonicContact NH2-OD2 3.84Å; R255-D257 PolarHBondContact NH2-OD2 3.31Å; R255-D257 PolarHBondContact O-N 2.8Å |
| 258 | H | 54.1 | Low | 47.7 | Very low | 48 Ų | 48 | 59 Ų | 59 | 22% | 0.222 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -117.7 | 12.7 | 172.8 | -57.8 | 172.7 | 0 | 0 | 0 | 113 | R255 L256 S376 S379 | R255-H258 PolarHBondContact O-N 3.14Å; L256-H258 PolarHBondContact O-N 3.26Å; H258-S376 WeakPolarHBondContact O-CB 3.38Å; H258-S376 PolarHBondContact O-N 3.11Å; H258-S379 VanDerWaalsContact CB-OG 3.25Å; H258-S379 WeakPolarHBondContact CB-OG 3.4Å |
| 259 | V | 51.4 | Low | 46.8 | Very low | 38 Ų | 38 | 62.4 Ų | 62.4 | 23% | 0.23 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 103.8 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | L256 M373 | L256-V259 PolarHBondContact O-N 2.7Å; V259-M373 HydrophobicContact CG1-CG 3.59Å; V259-M373 HydrophobicContact CG1-SD 4.04Å; V259-M373 HydrophobicContact CG2-SD 4.05Å |
| 260 | D | 45.7 | Very low | 45.6 | Very low | 88 Ų | 88 | 64.7 Ų | 64.7 | 47% | 0.471 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | -39.2 | -170 | -62.6 | -21.8 | 0 | 0 | 0 | 111.6 | E374 S376 | D260-E374 PolarHBondContact N-O 3.34Å; D260-S376 WeakPolarHBondContact OD1-CB 3.29Å; D260-S376 WeakPolarHBondContact OD2-CA 3.44Å; D260-S376 WeakPolarHBondContact OD2-CB 3.42Å; D260-S376 PolarHBondContact OD2-N 3.15Å |
| 261 | K | 41.7 | Very low | 44.2 | Very low | 105 Ų | 105 | 64.8 Ų | 64.8 | 46% | 0.457 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 156.6 | 173.1 | -49.2 | -172.2 | -156.8 | 67.9 | 0 | 111.7 | Y263 E374 | K261-Y263 HydrophobicContact CB-CD1 4.43Å; K261-E374 HydrophobicContact CB-CB 4.06Å; K261-E374 WeakPolarHBondContact CD-OE2 3.25Å; K261-E374 WeakPolarHBondContact CE-OE2 3.42Å; K261-E374 WeakPolarHBondContact CG-OE2 3.25Å; K261-E374 PolarHBondContact N-O 3.34Å; K261-E374 VanDerWaalsContact N-O 3.15Å; K261-E374 IonicContact NZ-OE1 2.88Å; K261-E374 PolarHBondContact NZ-OE1 2.83Å; K261-E374 IonicContact NZ-OE2 2.74Å; K261-E374 PolarHBondContact NZ-OE2 3.04Å; K261-E374 PolarHBondContact O-N 2.84Å |
| 262 | A | 43.5 | Very low | 42.9 | Very low | 55 Ų | 55 | 69.2 Ų | 69.2 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 132.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | F371 F372 | A262-F371 HydrophobicContact CB-CE2 3.96Å; A262-F371 HydrophobicContact CB-CZ 3.87Å; A262-F372 CarbonylContact C-O 3.42Å; A262-F372 VanDerWaalsContact CA-O 3.3Å; A262-F372 WeakPolarHBondContact CA-O 3.12Å |
| 263 | Y | 40.6 | Very low | 41.4 | Very low | 49 Ų | 49 | 72.4 Ų | 72.4 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 116.8 | -169.9 | 64.4 | -93.6 | 0 | 0 | 0 | 113.6 | K261 M265 F372 | K261-Y263 HydrophobicContact CB-CD1 4.43Å; Y263-M265 HydrophobicContact CD2-CG 4.01Å; Y263-M265 HydrophobicContact CE2-CG 4.18Å; Y263-M265 HydrophobicContact CE2-SD 4.14Å; Y263-F372 HydrophobicContact CD1-CB 3.96Å; Y263-F372 HydrophobicContact CD2-CB 3.69Å; Y263-F372 AromaticContact CD2-CD2 3.74Å; Y263-F372 HydrophobicContact CD2-CD2 3.74Å; Y263-F372 HydrophobicContact CD2-CG 4.01Å; Y263-F372 HydrophobicContact CE1-CB 3.74Å; Y263-F372 HydrophobicContact CE2-CB 3.43Å; Y263-F372 VanDerWaalsContact CE2-CB 3.43Å; Y263-F372 HydrophobicContact CE2-CD1 4.38Å; Y263-F372 AromaticContact CE2-CD2 3.45Å; Y263-F372 HydrophobicContact CE2-CD2 3.45Å; Y263-F372 VanDerWaalsContact CE2-CD2 3.45Å; Y263-F372 HydrophobicContact CE2-CE2 4.32Å; Y263-F372 AromaticContact CE2-CG 3.49Å; Y263-F372 HydrophobicContact CE2-CG 3.49Å; Y263-F372 VanDerWaalsContact CE2-CG 3.49Å; Y263-F372 HydrophobicContact CG-CB 3.93Å; Y263-F372 VanDerWaalsContact CZ-CB 3.45Å; Y263-F372 AromaticContact CZ-CG 3.81Å; Y263-F372 PolarHBondContact N-O 3.43Å; Y263-F372 WeakPolarHBondContact O-CB 3.3Å; Y263-F372 PolarHBondContact O-N 3.01Å |
| 264 | T | 37.3 | Very low | 39.6 | Very low | 30 Ų | 30 | 73.4 Ų | 73.4 | 18% | 0.184 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 108.6 | 167 | 44.5 | 0 | 0 | 0 | 0 | 113.8 | A125 L370 F371 | A125-T264 WeakPolarHBondContact CA-O 3.39Å; A125-T264 WeakPolarHBondContact CB-O 3.09Å; A125-T264 PolarHBondContact N-O 2.71Å; T264-L370 CarbonylContact C-O 3.57Å; T264-L370 WeakPolarHBondContact CA-O 3.07Å; T264-F371 HydrophobicContact CG2-CB 4Å; T264-F371 HydrophobicContact CG2-CD2 3.81Å; T264-F371 HydrophobicContact CG2-CG 4.4Å |
| 265 | M | 32.9 | Very low | 38.3 | Very low | 52 Ų | 52 | 77.6 Ų | 77.6 | 26% | 0.256 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 127.4 | 164.1 | -57.7 | -175.3 | 61.2 | 0 | 0 | 110.2 | T124 Y263 M267 Y369 L370 F372 | T124-M265 HydrophobicContact CG2-CB 4.48Å; Y263-M265 HydrophobicContact CD2-CG 4.01Å; Y263-M265 HydrophobicContact CE2-CG 4.18Å; Y263-M265 HydrophobicContact CE2-SD 4.14Å; M265-M267 PolarHBondContact O-N 3.45Å; M265-Y369 WeakPolarHBondContact O-CA 3.34Å; M265-L370 PolarHBondContact N-O 2.87Å; M265-L370 PolarHBondContact O-N 3.31Å; M265-F372 HydrophobicContact CB-CD2 4.34Å; M265-F372 HydrophobicContact CB-CE2 3.88Å; M265-F372 HydrophobicContact CG-CD2 3.83Å; M265-F372 HydrophobicContact CG-CE2 3.63Å; M265-F372 HydrophobicContact SD-CD2 4.12Å; M265-F372 HydrophobicContact SD-CE2 3.61Å; M265-F372 HydrophobicContact SD-CZ 4.32Å |
| 266 | T | 37.1 | Very low | 36.8 | Very low | 29 Ų | 29 | 81 Ų | 81 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 124.2 | 149.4 | 45.4 | 0 | 0 | 0 | 0 | 108.2 | P268 N367 Y369 | T266-P268 WeakPolarHBondContact O-CD 3.29Å; T266-N367 HydrophobicContact CG2-CB 4.23Å; T266-Y369 HydrophobicContact CG2-CD1 3.71Å; T266-Y369 HydrophobicContact CG2-CE1 3.35Å |
| 267 | M | 35.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 82.1 Ų | 82.1 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -55 | 127.5 | 162.1 | -99.5 | -66.4 | 151.2 | 0 | 0 | 109.5 | M265 A269 K368 L370 | M265-M267 PolarHBondContact O-N 3.45Å; M267-A269 PolarHBondContact O-N 2.85Å; M267-K368 PolarHBondContact N-O 3.33Å; M267-L370 HydrophobicContact CE-CD1 3.53Å; M267-L370 HydrophobicContact CG-CD1 3.72Å; M267-L370 HydrophobicContact CG-CG 4.38Å |
| 268 | P | 29.1 | Very low | 34.2 | Very low | 88 Ų | 88 | 85.8 Ų | 85.8 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 134.4 | 174 | -21.8 | 33.3 | 0 | 0 | 0 | 109.9 | T266 Q270 | T266-P268 WeakPolarHBondContact O-CD 3.29Å; P268-Q270 PolarHBondContact O-N 2.95Å |
| 269 | A | 30.4 | Very low | 32.7 | Very low | 83 Ų | 83 | 90.8 Ų | 90.8 | 69% | 0.686 | 52% | 0.521 | S | S | * | . | | | trans | -71.2 | 79.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110 | M267 S271 | M267-A269 PolarHBondContact O-N 2.85Å; A269-S271 VanDerWaalsContact C-N 3.35Å; A269-S271 PolarHBondContact O-N 2.89Å |
| 270 | Q | 30.1 | Very low | 31.4 | Very low | 169 Ų | 169 | 92.7 Ų | 92.7 | 79% | 0.79 | 54% | 0.536 | S | S | * | . | | | trans | -65.7 | 93.7 | 174.3 | -76 | -170.9 | -24.4 | 0 | 0 | 110 | P268 A272 | P268-Q270 PolarHBondContact O-N 2.95Å; Q270-A272 PolarHBondContact O-N 3.42Å |
| 271 | S | 28.8 | Very low | 30.4 | Very low | 80 Ų | 80 | 95.5 Ų | 95.5 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | | | trans | 28.1 | 68.7 | 141.3 | 57.1 | 0 | 0 | 0 | 0 | 115.6 | A269 N273 | A269-S271 VanDerWaalsContact C-N 3.35Å; A269-S271 PolarHBondContact O-N 2.89Å; S271-N273 PolarHBondContact O-N 3.14Å |
| 272 | A | 26.9 | Very low | 29.7 | Very low | 109 Ų | 109 | 97 Ų | 97 | 90% | 0.901 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -72.8 | 55 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q270 | Q270-A272 PolarHBondContact O-N 3.42Š|
| 273 | N | 24 | Very low | 28.8 | Very low | 86 Ų | 86 | 97.9 Ų | 97.9 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | | | trans | -156.9 | 57.2 | -173.9 | -160.1 | 5.3 | 0 | 0 | 0 | 107.8 | S104 S271 | S104-N273 CarbonylContact C-O 2.98Å; S104-N273 WeakPolarHBondContact CB-O 3.11Å; S104-N273 PolarHBondContact OG-O 3.17Å; S271-N273 PolarHBondContact O-N 3.14Å |
| 274 | Q | 25.7 | Very low | 28.1 | Very low | 86 Ų | 86 | 98.5 Ų | 98.5 | 40% | 0.402 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -166.7 | 125.9 | 170.6 | -114.9 | 163.3 | 101.6 | 0 | 0 | 109.2 | S104 S105 T106 | S104-Q274 PolarHBondContact OG-NE2 3.46Å; S105-Q274 WeakPolarHBondContact OG-CG 3.36Å; T106-Q274 VanDerWaalsContact CG2-OE1 3.3Å; T106-Q274 VanDerWaalsContact N-OE1 3.13Å |
| 275 | L | 29.1 | Very low | 27.7 | Very low | 105 Ų | 105 | 102.3 Ų | 102.3 | 55% | 0.55 | 60% | 0.596 | S | S | . | * | | | trans | 60.6 | 100.8 | 176.8 | -68.1 | 75.5 | 0 | 0 | 0 | 115.1 | S277 N278 | L275-S277 WeakPolarHBondContact CG-O 3.44Å; L275-N278 HydrophobicContact CD2-CB 4.37Å |
| 276 | L | 24.5 | Very low | 27.4 | Very low | 174 Ų | 174 | 105.3 Ų | 105.3 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | S | Bend | | -57 | 141.8 | 65.7 | -87.9 | 72.1 | 0 | 0 | 0 | 117.1 | | |
| 277 | S | 25.3 | Very low | 26.9 | Very low | 95 Ų | 95 | 110 Ų | 110 | 66% | 0.664 | 65% | 0.65 | S | S | * | * | | | trans | 78.1 | 80.8 | -175.8 | -53.9 | 0 | 0 | 0 | 0 | 115.1 | L275 | L275-S277 WeakPolarHBondContact CG-O 3.44Š|
| 278 | N | 25.2 | Very low | 26.4 | Very low | 137 Ų | 137 | 109.6 Ų | 109.6 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | | | | -169.3 | 118.9 | 101.9 | -92.3 | -22.6 | 0 | 0 | 0 | 112.7 | L275 | L275-N278 HydrophobicContact CD2-CB 4.37Š|
| 279 | N | 22.1 | Very low | 26.1 | Very low | 154 Ų | 154 | 111.8 Ų | 111.8 | 82% | 0.824 | 67% | 0.669 | S | S | * | * | | | trans | -126.4 | 73.1 | 153.5 | -167.5 | 17.2 | 0 | 0 | 0 | 108.5 | | |
| 280 | S | 25.5 | Very low | 26.1 | Very low | 77 Ų | 77 | 115.1 Ų | 115.1 | 54% | 0.538 | 67% | 0.674 | S | S | . | * | | | trans | -154.4 | 63.7 | 169.7 | -79.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 281 | N | 24.4 | Very low | 25.9 | Very low | 147 Ų | 147 | 112.5 Ų | 112.5 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | | | trans | -64.8 | 133.5 | 138.4 | -65.3 | -11.7 | 0 | 0 | 0 | 105.4 | | |
| 282 | N | 25.5 | Very low | 25.9 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | | | | -156.4 | 159.3 | 67.5 | -87.7 | -24.3 | 0 | 0 | 0 | 113.2 | | |
| 283 | N | 25.5 | Very low | 25.8 | Very low | 74 Ų | 74 | 114.1 Ų | 114.1 | 40% | 0.396 | 67% | 0.665 | S | S | . | * | | | trans | 60.2 | 96.3 | 153.3 | -58.3 | -3.6 | 0 | 0 | 0 | 116.1 | P494 T495 | N283-P494 HydrophobicContact CB-CB 4.39Å; N283-T495 PolarHBondContact ND2-OG1 3.03Å |
| 284 | S | 26.9 | Very low | 25.8 | Very low | 61 Ų | 61 | 114.5 Ų | 114.5 | 43% | 0.427 | 68% | 0.675 | S | S | . | * | | | | 59.9 | 93.8 | 69.9 | -48.3 | 0 | 0 | 0 | 0 | 113.3 | S493 P494 | S284-S493 PolarHBondContact OG-OG 3.24Å; S284-P494 WeakPolarHBondContact O-CB 3.06Å; S284-P494 WeakPolarHBondContact O-CG 3.04Å |
| 285 | T | 28.8 | Very low | 25.6 | Very low | 110 Ų | 110 | 118.1 Ų | 118.1 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | | | | 58.7 | 116 | 124.1 | -38.5 | 0 | 0 | 0 | 0 | 119.5 | P494 | T285-P494 VanDerWaalsContact O-CG 3.31Å; T285-P494 WeakPolarHBondContact O-CG 3.48Å |
| 286 | S | 25.7 | Very low | 25.4 | Very low | 115 Ų | 115 | 117.7 Ų | 117.7 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | | | trans | -126.9 | 134.5 | 138.2 | -79.1 | 0 | 0 | 0 | 0 | 110 | | |
| 287 | T | 26.8 | Very low | 25.3 | Very low | 127 Ų | 127 | 117.1 Ų | 117.1 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | | | trans | -55.5 | 143.5 | 168.5 | -29.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 288 | S | 23.2 | Very low | 25.3 | Very low | 88 Ų | 88 | 118.9 Ų | 118.9 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | | | | -175.6 | 174.1 | 65.6 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 289 | T | 24.5 | Very low | 25.2 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | | | trans | 60.1 | 119.7 | 175.3 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 290 | I | 29 | Very low | 25.5 | Very low | 153 Ų | 153 | 115.7 Ų | 115.7 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | | | | -153.3 | 129.8 | 64.5 | -87.2 | 171.5 | 0 | 0 | 0 | 110.8 | | |
| 291 | T | 27.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 117.5 Ų | 117.5 | 70% | 0.699 | 71% | 0.71 | S | S | * | * | | | trans | 54.1 | 135 | 136.6 | -45.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 292 | T | 27.2 | Very low | 25.6 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 70% | 0.699 | 71% | 0.707 | S | S | * | * | | | trans | 61 | 116.2 | 159.1 | 48.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 293 | T | 25.7 | Very low | 25.5 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 67% | 0.669 | 71% | 0.71 | S | S | * | * | | | | 49.3 | 105.7 | 79.6 | 65.8 | 0 | 0 | 0 | 0 | 113.2 | | |
| 294 | S | 23.2 | Very low | 25.4 | Very low | 94 Ų | 94 | 118.2 Ų | 118.2 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | | 67.7 | 118.9 | 69.2 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 295 | N | 22.8 | Very low | 25.4 | Very low | 162 Ų | 162 | 121 Ų | 121 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | | | trans | 68.9 | 156.1 | -167.2 | -43.3 | -29.9 | 0 | 0 | 0 | 111.5 | | |
| 296 | S | 23.3 | Very low | 25.1 | Very low | 96 Ų | 96 | 121.1 Ų | 121.1 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | cis | -154.6 | 156.9 | 7.4 | 56.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 297 | M | 23.4 | Very low | 25.1 | Very low | 161 Ų | 161 | 122 Ų | 122 | 79% | 0.793 | 73% | 0.726 | S | S | * | * | | | trans | 57.7 | 113.6 | 135.7 | -73.2 | 168.3 | 67.3 | 0 | 0 | 121.8 | | |
| 298 | T | 24.3 | Very low | 25.1 | Very low | 132 Ų | 132 | 120 Ų | 120 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | | | | 32.5 | 118.8 | 120.3 | 59.5 | 0 | 0 | 0 | 0 | 120.1 | | |
| 299 | G | 23.1 | Very low | 25.2 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 73% | 0.732 | 71% | 0.713 | S | S | * | * | | | trans | 154.2 | 145.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 300 | I | 29.3 | Very low | 25.3 | Very low | 154 Ų | 154 | 116.5 Ų | 116.5 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | | | cis | -154.8 | 141.5 | 12.3 | -100.4 | 157.6 | 0 | 0 | 0 | 108.3 | | |
| 301 | T | 30.2 | Very low | 25 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | 52.4 | 128.8 | 167.8 | 52 | 0 | 0 | 0 | 0 | 119.2 | | |
| 302 | N | 21.5 | Very low | 24.9 | Very low | 134 Ų | 134 | 117.2 Ų | 117.2 | 72% | 0.717 | 69% | 0.694 | S | S | * | * | | | | 72.6 | 133.6 | 51.5 | -63.1 | -7.7 | 0 | 0 | 0 | 115.1 | | |
| 303 | N | 24.3 | Very low | 24.8 | Very low | 148 Ų | 148 | 116.6 Ų | 116.6 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | | | trans | 70.2 | 157.3 | 151.9 | -64 | -9.3 | 0 | 0 | 0 | 118.1 | | |
| 304 | S | 22.8 | Very low | 24.8 | Very low | 90 Ų | 90 | 114.3 Ų | 114.3 | 63% | 0.629 | 68% | 0.676 | S | S | * | * | | | cis | -171.5 | -175 | -27.1 | -97.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 305 | T | 26.4 | Very low | 25.1 | Very low | 120 Ų | 120 | 115.3 Ų | 115.3 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | | | trans | 61.2 | 99.9 | 166.5 | 49.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 306 | T | 23.5 | Very low | 25.6 | Very low | 112 Ų | 112 | 111.8 Ų | 111.8 | 69% | 0.687 | 67% | 0.674 | S | S | * | * | | | | 48.6 | 111.2 | 68 | -47.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 307 | F | 25.4 | Very low | 25.7 | Very low | 135 Ų | 135 | 111.7 Ų | 111.7 | 59% | 0.592 | 67% | 0.671 | S | S | * | * | | | trans | -161.5 | 118.2 | 152.8 | -110.4 | 15.3 | 0 | 0 | 0 | 112.1 | I88 I89 Q90 | I88-F307 VanDerWaalsContact C-CD1 3.46Å; I88-F307 HydrophobicContact CG2-CD1 4.32Å; I88-F307 HydrophobicContact CG2-CE1 3.84Å; I88-F307 HydrophobicContact CG2-CE2 4.12Å; I88-F307 HydrophobicContact CG2-CZ 3.73Å; I88-F307 CarbonylContact O-C 3.59Å; I88-F307 VanDerWaalsContact O-C 3.28Å; I88-F307 WeakPolarHBondContact O-CA 3.42Å; I88-F307 WeakPolarHBondContact O-CB 3.13Å; I88-F307 WeakPolarHBondContact O-CD1 3.32Å; I88-F307 WeakPolarHBondContact O-CG 3.21Å; I89-F307 WeakPolarHBondContact O-CD2 3.12Å; Q90-F307 PolarHBondContact N-O 3.4Å; Q90-F307 VanDerWaalsContact N-O 3.13Å |
| 308 | I | 26 | Very low | 25.9 | Very low | 83 Ų | 83 | 110 Ų | 110 | 43% | 0.426 | 68% | 0.675 | S | S | . | * | B | Isolated β-bridge | trans | -95.7 | 132 | -165.5 | -65.8 | 161.5 | 0 | 0 | 0 | 113.5 | I88 I89 | I88-I308 CarbonylContact C-O 3.52Å; I88-I308 WeakPolarHBondContact CA-O 3.46Å; I88-I308 PolarHBondContact N-O 3.22Å; I88-I308 PolarHBondContact O-N 2.94Å; I89-I308 VanDerWaalsContact CA-O 3.24Å; I89-I308 WeakPolarHBondContact CA-O 3.08Å; I89-I308 PolarHBondContact N-O 3.42Å |
| 309 | S | 26.6 | Very low | 26 | Very low | 99 Ų | 99 | 110 Ų | 110 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | | | trans | 19 | 128.2 | 152.7 | -51 | 0 | 0 | 0 | 0 | 121.9 | | |
| 310 | A | 25 | Very low | 26 | Very low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 66% | 0.663 | S | S | . | * | | | trans | -152.8 | 148.2 | 130.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | I89 | I89-A310 HydrophobicContact CD1-CB 3.87Å; I89-A310 HydrophobicContact CG1-CB 4.42Å |
| 311 | N | 24.1 | Very low | 25.8 | Very low | 147 Ų | 147 | 109 Ų | 109 | 79% | 0.786 | 66% | 0.664 | S | S | * | * | | | trans | 47.6 | 145.4 | 139.7 | -71.5 | 1.5 | 0 | 0 | 0 | 121.2 | | |
| 312 | L | 24.9 | Very low | 25.6 | Very low | 136 Ų | 136 | 108.3 Ų | 108.3 | 71% | 0.712 | 66% | 0.664 | S | S | * | * | | | cis | -164.3 | -178.5 | -12.1 | -159 | 67 | 0 | 0 | 0 | 106.7 | | |
| 313 | T | 25 | Very low | 25.9 | Very low | 101 Ų | 101 | 107 Ų | 107 | 62% | 0.62 | 67% | 0.665 | S | S | * | * | | | trans | 60.9 | 109.8 | 154.1 | 42.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 314 | T | 26.8 | Very low | 26 | Very low | 60 Ų | 60 | 109.9 Ų | 109.9 | 37% | 0.368 | 67% | 0.671 | S | S | . | * | | | | -14.8 | 157.2 | 123 | 46.3 | 0 | 0 | 0 | 0 | 117.4 | L1544 | T314-L1544 HydrophobicContact CG2-CB 4.44Š|
| 315 | P | 28.9 | Very low | 26.3 | Very low | 116 Ų | 116 | 112.7 Ų | 112.7 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | | | cis | -135.2 | -172.9 | 23.6 | 35.8 | -15 | 0 | 0 | 0 | 114.9 | | |
| 316 | A | 32.5 | Very low | 26.4 | Very low | 87 Ų | 87 | 113.2 Ų | 113.2 | 72% | 0.719 | 68% | 0.683 | S | S | * | * | | | trans | -61.6 | 154.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 317 | P | 26.6 | Very low | 26.7 | Very low | 94 Ų | 94 | 111.6 Ų | 111.6 | 61% | 0.61 | 69% | 0.688 | S | S | * | * | | | | -141.9 | 164.6 | 91.6 | 40.1 | -28.7 | 0 | 0 | 0 | 114.3 | I319 | P317-I319 HydrophobicContact CB-CD1 4.17Å; P317-I319 HydrophobicContact CB-CG1 4.03Å; P317-I319 HydrophobicContact CG-CB 4.2Å; P317-I319 HydrophobicContact CG-CD1 3.71Å; P317-I319 HydrophobicContact CG-CG1 3.79Å; P317-I319 PolarHBondContact O-N 2.8Å |
| 318 | S | 26.1 | Very low | 26.7 | Very low | 127 Ų | 127 | 112.8 Ų | 112.8 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | | | trans | -73.7 | 73 | 163.8 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 319 | I | 27.6 | Very low | 27.2 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | | | trans | -120.9 | 82.2 | 171.6 | -60.2 | 177.3 | 0 | 0 | 0 | 108.5 | P317 | P317-I319 HydrophobicContact CB-CD1 4.17Å; P317-I319 HydrophobicContact CB-CG1 4.03Å; P317-I319 HydrophobicContact CG-CB 4.2Å; P317-I319 HydrophobicContact CG-CD1 3.71Å; P317-I319 HydrophobicContact CG-CG1 3.79Å; P317-I319 PolarHBondContact O-N 2.8Å |
| 320 | S | 23.1 | Very low | 27.1 | Very low | 88 Ų | 88 | 115.8 Ų | 115.8 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | | 32.1 | 129.6 | 119 | 66.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 321 | S | 24.4 | Very low | 27.1 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | | | trans | 79.6 | 142.2 | 139.5 | -56.7 | 0 | 0 | 0 | 0 | 119.7 | | |
| 322 | S | 26 | Very low | 27.5 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -57.1 | 152.3 | 167.2 | 49.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 323 | S | 28.3 | Very low | 27.5 | Very low | 107 Ų | 107 | 118 Ų | 118 | 75% | 0.748 | 72% | 0.719 | S | S | * | * | | | trans | 57.2 | 118.7 | 151.7 | 58.3 | 0 | 0 | 0 | 0 | 118.6 | N325 | S323-N325 PolarHBondContact O-N 2.97Å; S323-N325 VanDerWaalsContact O-N 3.17Å |
| 324 | F | 26.1 | Very low | 27.7 | Very low | 208 Ų | 208 | 120.1 Ų | 120.1 | 91% | 0.912 | 72% | 0.722 | S | S | * | * | | | trans | -50.5 | 117.2 | 157.2 | -64.4 | -99.4 | 0 | 0 | 0 | 111 | | |
| 325 | N | 28.8 | Very low | 27.9 | Very low | 149 Ų | 149 | 124 Ų | 124 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | | -165.2 | 147.8 | 122 | -106.3 | -28.9 | 0 | 0 | 0 | 114.8 | S323 | S323-N325 PolarHBondContact O-N 2.97Å; S323-N325 VanDerWaalsContact O-N 3.17Å |
| 326 | T | 29.6 | Very low | 28 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | | | trans | -28.3 | 140 | 163.8 | 54.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 327 | G | 29.9 | Very low | 27.9 | Very low | 78 Ų | 78 | 130.9 Ų | 130.9 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | | | trans | 147.7 | 113.7 | 147.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 328 | N | 25.4 | Very low | 28.2 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 85% | 0.85 | 75% | 0.753 | S | S | * | * | | | trans | -42.1 | 168.1 | 145.5 | -86.9 | -16.6 | 0 | 0 | 0 | 114.4 | | |
| 329 | P | 36 | Very low | 28.3 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | | | cis | -144.9 | -170.6 | -29.6 | 39.4 | -20.3 | 0 | 0 | 0 | 113.7 | | |
| 330 | L | 25 | Very low | 28.6 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 78% | 0.775 | 75% | 0.754 | S | S | * | * | | | trans | 54.8 | 138.5 | 142.6 | -77.2 | 163.3 | 0 | 0 | 0 | 122.8 | | |
| 331 | N | 24.6 | Very low | 28.9 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 88.6 | 151.5 | 138 | -104.4 | -10.4 | 0 | 0 | 0 | 122.9 | | |
| 332 | L | 31.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 68% | 0.675 | 75% | 0.754 | S | S | * | * | | | trans | 61 | 86.3 | 156.1 | -94.5 | 58.5 | 0 | 0 | 0 | 119.7 | | |
| 333 | D | 24.9 | Very low | 29 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 62% | 0.62 | 76% | 0.761 | S | S | * | * | | | | 70.5 | 138.5 | 99.6 | -72.3 | -37 | 0 | 0 | 0 | 123.1 | | |
| 334 | H | 29.2 | Very low | 28.9 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | | | trans | 52 | 123.1 | 133.1 | -63.7 | 56.7 | 0 | 0 | 0 | 118.1 | | |
| 335 | H | 32.6 | Very low | 29 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 66% | 0.657 | 75% | 0.749 | S | S | * | * | | | cis | -161.6 | 163.5 | 37.7 | -109 | -40.8 | 0 | 0 | 0 | 113.1 | | |
| 336 | R | 29.7 | Very low | 28.9 | Very low | 207 Ų | 207 | 132.5 Ų | 132.5 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | | | trans | 21.7 | 132.5 | 140.2 | -64.3 | 174.4 | 166.8 | 177.4 | -4 | 118.4 | | |
| 337 | T | 31.6 | Very low | 28.7 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | | | cis | -168.7 | 164.7 | 10.5 | 4.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 338 | G | 31 | Very low | 28.6 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | 112.5 | 13.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 339 | S | 29.6 | Very low | 29 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | trans | -56.8 | 152.5 | 162.6 | -90.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 340 | R | 33.2 | Very low | 28.8 | Very low | 219 Ų | 219 | 130.2 Ų | 130.2 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | cis | -165.9 | 170.8 | -8.7 | -124.8 | 177.9 | -179.1 | -177.3 | 0.3 | 112.1 | | |
| 341 | T | 29.6 | Very low | 28.9 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | | | trans | -24 | 163.8 | 145.2 | 57 | 0 | 0 | 0 | 0 | 117.3 | | |
| 342 | G | 27.9 | Very low | 28.9 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | | | cis | 143.7 | -152.1 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 343 | L | 25.3 | Very low | 28.6 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | | | trans | -31.2 | 155 | 169.4 | -75.6 | 69.9 | 0 | 0 | 0 | 116.4 | | |
| 344 | T | 26.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | | | cis | -167.7 | 146 | 18.2 | 1.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 345 | T | 27.8 | Very low | 28.6 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 71% | 0.712 | 69% | 0.688 | S | S | * | * | | | trans | 46.1 | 123.2 | 141.3 | 50.9 | 0 | 0 | 0 | 0 | 127.3 | | |
| 346 | M | 26.2 | Very low | 28.4 | Very low | 170 Ų | 170 | 115.3 Ų | 115.3 | 84% | 0.837 | 67% | 0.674 | S | S | * | * | | | | 90.6 | 142.3 | 121.2 | -64.6 | -97.9 | 58.9 | 0 | 0 | 124.1 | | |
| 347 | S | 25.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 110 Ų | 110 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | | | trans | 72.4 | 140.1 | 167.7 | -124.3 | 0 | 0 | 0 | 0 | 118 | | |
| 348 | T | 28.4 | Very low | 28.2 | Very low | 128 Ų | 128 | 107.3 Ų | 107.3 | 79% | 0.785 | 65% | 0.654 | S | S | * | * | | | cis | -143.9 | -167.3 | -3 | -25.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 349 | V | 33 | Very low | 28.2 | Very low | 97 Ų | 97 | 107.7 Ų | 107.7 | 59% | 0.588 | 65% | 0.645 | S | S | * | * | | | trans | -107.7 | 158.1 | -164.3 | -163 | 0 | 0 | 0 | 0 | 109.1 | | |
| 350 | P | 31.2 | Very low | 28 | Very low | 93 Ų | 93 | 105.7 Ų | 105.7 | 60% | 0.604 | 63% | 0.628 | S | S | * | * | | | cis | -140.5 | 164.8 | 26.8 | 43.6 | -25.2 | 0 | 0 | 0 | 119.8 | | |
| 351 | T | 28.5 | Very low | 27.9 | Very low | 98 Ų | 98 | 98.1 Ų | 98.1 | 60% | 0.601 | 61% | 0.606 | S | S | * | * | | | trans | 56.7 | 137.9 | 162.4 | 25.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 352 | T | 24.5 | Very low | 27.8 | Very low | 93 Ų | 93 | 95.3 Ų | 95.3 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | | | cis | -135.6 | 172.3 | 16.3 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 353 | T | 24.3 | Very low | 27.8 | Very low | 101 Ų | 101 | 100.1 Ų | 100.1 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | | | trans | 53 | 94.5 | 156.6 | 43 | 0 | 0 | 0 | 0 | 120.2 | C1602 | T353-C1602 CarbonylContact C-O 3.28Å; T353-C1602 VanDerWaalsContact C-O 3.27Å |
| 354 | L | 24.3 | Very low | 27.8 | Very low | 38 Ų | 38 | 99.2 Ų | 99.2 | 20% | 0.199 | 59% | 0.593 | C | S | . | * | | | trans | -136.6 | 108 | 140.1 | -85.1 | -143.7 | 0 | 0 | 0 | 109.6 | R1601 C1602 M1633 | L354-R1601 HydrophobicContact CD1-CB 4.28Å; L354-R1601 HydrophobicContact CD1-CG 3.47Å; L354-R1601 VanDerWaalsContact CD1-CG 3.47Å; L354-R1601 HydrophobicContact CG-CG 4.15Å; L354-C1602 WeakPolarHBondContact CB-O 3.37Å; L354-C1602 WeakPolarHBondContact CG-O 3.07Å; L354-C1602 PolarHBondContact N-O 3Å; L354-C1602 VanDerWaalsContact N-O 3.09Å; L354-M1633 VanDerWaalsContact CD2-C 3.44Å; L354-M1633 HydrophobicContact CD2-CB 3.75Å; L354-M1633 WeakPolarHBondContact CD2-O 3.21Å |
| 355 | I | 29.5 | Very low | 27.8 | Very low | 111 Ų | 111 | 99.1 Ų | 99.1 | 57% | 0.569 | 59% | 0.588 | S | S | * | * | | | trans | -115.5 | 58.7 | 169.6 | -38.5 | 177.6 | 0 | 0 | 0 | 112 | R1632 | I355-R1632 VanDerWaalsContact C-CA 3.48Å; I355-R1632 VanDerWaalsContact N-C 3.3Å; I355-R1632 PolarHBondContact N-O 3.36Å; I355-R1632 WeakPolarHBondContact O-CA 3.49Å; I355-R1632 PolarHBondContact O-N 2.68Å |
| 356 | T | 29.5 | Very low | 28.1 | Very low | 60 Ų | 60 | 97.9 Ų | 97.9 | 37% | 0.368 | 58% | 0.582 | S | S | . | * | | | trans | -101.7 | 64.4 | 159.6 | -43 | 0 | 0 | 0 | 0 | 112.6 | R1632 M1633 N1634 | T356-R1632 WeakPolarHBondContact OG1-CA 3.48Å; T356-R1632 WeakPolarHBondContact OG1-CG 3.22Å; T356-M1633 WeakPolarHBondContact CB-O 3.48Å; T356-M1633 PolarHBondContact N-O 3.43Å; T356-M1633 PolarHBondContact OG1-O 2.93Å; T356-N1634 PolarHBondContact OG1-OD1 2.88Å |
| 357 | S | 27.8 | Very low | 28.4 | Very low | 95 Ų | 95 | 93 Ų | 93 | 66% | 0.664 | 56% | 0.559 | S | S | * | * | | | | 89 | 146 | 126.5 | -60.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 358 | P | 29.3 | Very low | 28.9 | Very low | 86 Ų | 86 | 92.2 Ų | 92.2 | 56% | 0.558 | 54% | 0.543 | S | S | * | . | | | trans | -122.5 | 151.1 | -143 | 14.2 | 10.8 | 0 | 0 | 0 | 114.1 | L1369 | P358-L1369 HydrophobicContact CB-CD1 3.91Å; P358-L1369 HydrophobicContact CG-CD1 3.54Å; P358-L1369 VanDerWaalsContact O-CD1 3.3Å; P358-L1369 WeakPolarHBondContact O-CD1 3.36Å |
| 359 | S | 30 | Very low | 29.4 | Very low | 86 Ų | 86 | 89.3 Ų | 89.3 | 60% | 0.601 | 52% | 0.519 | S | S | * | . | | | trans | -142 | 93 | 150.2 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 360 | T | 25.7 | Very low | 29.8 | Very low | 64 Ų | 64 | 85 Ų | 85 | 39% | 0.393 | 49% | 0.492 | S | S | . | . | | | trans | -35.1 | 144.1 | 130.6 | 42.1 | 0 | 0 | 0 | 0 | 110.4 | P1370 R1371 | T360-P1370 VanDerWaalsContact CB-CB 3.46Å; T360-P1370 HydrophobicContact CG2-CB 4.14Å; T360-P1370 VanDerWaalsContact OG1-CA 3.23Å; T360-P1370 WeakPolarHBondContact OG1-CA 3.4Å; T360-P1370 WeakPolarHBondContact OG1-CB 3.35Å; T360-R1371 CarbonylContact C-O 3.55Å |
| 361 | T | 31.9 | Very low | 30.2 | Very low | 60 Ų | 60 | 81.6 Ų | 81.6 | 37% | 0.368 | 47% | 0.468 | S | S | . | . | | | | -108.9 | 150.7 | 61.3 | 6 | 0 | 0 | 0 | 0 | 117.5 | P1370 R1371 P1372 | T361-P1370 HydrophobicContact CG2-CB 4.46Å; T361-R1371 WeakPolarHBondContact CB-O 3.47Å; T361-R1371 WeakPolarHBondContact CG2-O 3.18Å; T361-R1371 PolarHBondContact N-O 3.27Å; T361-R1371 PolarHBondContact OG1-O 2.87Å; T361-P1372 HydrophobicContact CG2-CB 3.83Å; T361-P1372 HydrophobicContact CG2-CG 3.71Å |
| 362 | A | 26.8 | Very low | 30.8 | Very low | 61 Ų | 61 | 78 Ų | 78 | 50% | 0.504 | 44% | 0.444 | S | S | . | . | | | trans | -73.9 | 133.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | N364 | A362-N364 PolarHBondContact O-N 2.77Š|
| 363 | F | 27.6 | Very low | 32 | Very low | 169 Ų | 169 | 74.1 Ų | 74.1 | 74% | 0.741 | 42% | 0.419 | S | S | * | . | | | trans | -70 | 64.7 | 163.9 | -104.3 | -93.2 | 0 | 0 | 0 | 109.9 | N365 L1373 | F363-N365 PolarHBondContact O-N 3.02Å; F363-L1373 HydrophobicContact CZ-CD2 4.26Å |
| 364 | N | 25.5 | Very low | 33 | Very low | 143 Ų | 143 | 71.2 Ų | 71.2 | 77% | 0.765 | 40% | 0.399 | S | S | * | . | | | trans | -66 | 89.2 | 154.3 | -80.8 | -14.2 | 0 | 0 | 0 | 105.9 | A362 P366 | A362-N364 PolarHBondContact O-N 2.77Å; N364-P366 WeakPolarHBondContact O-CD 3.43Å |
| 365 | N | 27.2 | Very low | 34.2 | Very low | 111 Ų | 111 | 69.4 Ų | 69.4 | 59% | 0.594 | 39% | 0.389 | S | S | * | . | | | trans | -83.2 | 94.6 | 160.1 | -164.6 | 4.4 | 0 | 0 | 0 | 105.5 | F363 N367 | F363-N365 PolarHBondContact O-N 3.02Å; N365-N367 PolarHBondContact O-N 3.17Å; N365-N367 VanDerWaalsContact O-N 3.14Å |
| 366 | P | 32.6 | Very low | 35 | Very low | 91 Ų | 91 | 65.4 Ų | 65.4 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | | | trans | -60.2 | 122.1 | 168.7 | 28.4 | -33.4 | 0 | 0 | 0 | 105.9 | N364 K368 | N364-P366 WeakPolarHBondContact O-CD 3.43Å; P366-K368 PolarHBondContact O-N 2.76Å |
| 367 | N | 32.9 | Very low | 35.7 | Very low | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.353 | 37% | 0.373 | S | S | . | . | | | trans | -54.3 | 106.6 | 176.6 | -70.5 | -29.3 | 0 | 0 | 0 | 107.6 | T266 N365 Y369 | T266-N367 HydrophobicContact CG2-CB 4.23Å; N365-N367 PolarHBondContact O-N 3.17Å; N365-N367 VanDerWaalsContact O-N 3.14Å; N367-Y369 HydrophobicContact CB-CE2 4.46Å; N367-Y369 WeakPolarHBondContact O-CD2 3.3Å; N367-Y369 WeakPolarHBondContact O-CE2 3.41Å; N367-Y369 PolarHBondContact O-N 3.4Å |
| 368 | K | 37.3 | Very low | 36.4 | Very low | 86 Ų | 86 | 63.9 Ų | 63.9 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | | | trans | -57.4 | 109.8 | 177.9 | -74.7 | -179.5 | 157.8 | -95.6 | 0 | 107.1 | M267 P366 L370 D391 | M267-K368 PolarHBondContact N-O 3.33Å; P366-K368 PolarHBondContact O-N 2.76Å; K368-L370 VanDerWaalsContact C-N 3.33Å; K368-L370 HydrophobicContact CB-CD2 4.19Å; K368-L370 PolarHBondContact O-N 2.98Å; K368-L370 VanDerWaalsContact O-N 3.15Å; K368-D391 WeakPolarHBondContact CD-OD2 3.22Å; K368-D391 WeakPolarHBondContact CE-OD2 3.43Å; K368-D391 VanDerWaalsContact CG-OD2 3.26Å; K368-D391 WeakPolarHBondContact CG-OD2 3.14Å; K368-D391 IonicContact NZ-OD2 2.69Å; K368-D391 PolarHBondContact NZ-OD2 2.77Å |
| 369 | Y | 39 | Very low | 37 | Very low | 67 Ų | 67 | 60 Ų | 60 | 26% | 0.263 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 89 | 175.1 | -61.7 | -79.7 | 0 | 0 | 0 | 106.2 | R211 M265 T266 N367 F371 G392 | R211-Y369 PolarHBondContact NE-OH 2.91Å; R211-Y369 PolarHBondContact NH2-OH 3.1Å; M265-Y369 WeakPolarHBondContact O-CA 3.34Å; T266-Y369 HydrophobicContact CG2-CD1 3.71Å; T266-Y369 HydrophobicContact CG2-CE1 3.35Å; N367-Y369 HydrophobicContact CB-CE2 4.46Å; N367-Y369 WeakPolarHBondContact O-CD2 3.3Å; N367-Y369 WeakPolarHBondContact O-CE2 3.41Å; N367-Y369 PolarHBondContact O-N 3.4Å; Y369-F371 PolarHBondContact O-N 2.8Å; Y369-F371 VanDerWaalsContact O-N 3.09Å; Y369-G392 PolarHBondContact O-N 2.92Å; Y369-G392 VanDerWaalsContact O-N 3.12Å |
| 370 | L | 40.3 | Very low | 37.3 | Very low | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 99.2 | 175 | -57.6 | 179.9 | 0 | 0 | 0 | 107 | T264 M265 M267 K368 F372 E389 D391 | T264-L370 CarbonylContact C-O 3.57Å; T264-L370 WeakPolarHBondContact CA-O 3.07Å; M265-L370 PolarHBondContact N-O 2.87Å; M265-L370 PolarHBondContact O-N 3.31Å; M267-L370 HydrophobicContact CE-CD1 3.53Å; M267-L370 HydrophobicContact CG-CD1 3.72Å; M267-L370 HydrophobicContact CG-CG 4.38Å; K368-L370 VanDerWaalsContact C-N 3.33Å; K368-L370 HydrophobicContact CB-CD2 4.19Å; K368-L370 PolarHBondContact O-N 2.98Å; K368-L370 VanDerWaalsContact O-N 3.15Å; L370-F372 HydrophobicContact CB-CD2 4.29Å; L370-F372 HydrophobicContact CB-CE2 3.52Å; L370-F372 HydrophobicContact CB-CZ 3.88Å; L370-F372 HydrophobicContact CD1-CE2 4.42Å; L370-F372 HydrophobicContact CD1-CZ 4.18Å; L370-F372 WeakPolarHBondContact O-CD2 3.37Å; L370-F372 WeakPolarHBondContact O-CE2 3.37Å; L370-F372 PolarHBondContact O-N 2.75Å; L370-E389 HydrophobicContact CB-CG 4.27Å; L370-E389 HydrophobicContact CD1-CG 4.24Å; L370-E389 WeakPolarHBondContact CD1-OE1 3.48Å; L370-E389 HydrophobicContact CD2-CG 3.93Å; L370-E389 WeakPolarHBondContact CD2-OE1 3.47Å; L370-E389 HydrophobicContact CG-CG 4.36Å; L370-D391 HydrophobicContact CD2-CB 4.48Å |
| 371 | F | 39.2 | Very low | 37.8 | Very low | 22 Ų | 22 | 64.3 Ų | 64.3 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 114.6 | 173 | 172.3 | -91 | 0 | 0 | 0 | 108.8 | L214 A262 T264 Y369 M373 I390 | L214-F371 HydrophobicContact CB-CE2 3.99Å; L214-F371 HydrophobicContact CD1-CD2 4.28Å; L214-F371 HydrophobicContact CD1-CE1 4.15Å; L214-F371 HydrophobicContact CD1-CE2 3.47Å; L214-F371 VanDerWaalsContact CD1-CE2 3.47Å; L214-F371 HydrophobicContact CD1-CZ 3.39Å; L214-F371 HydrophobicContact CG-CE2 4.34Å; A262-F371 HydrophobicContact CB-CE2 3.96Å; A262-F371 HydrophobicContact CB-CZ 3.87Å; T264-F371 HydrophobicContact CG2-CB 4Å; T264-F371 HydrophobicContact CG2-CD2 3.81Å; T264-F371 HydrophobicContact CG2-CG 4.4Å; Y369-F371 PolarHBondContact O-N 2.8Å; Y369-F371 VanDerWaalsContact O-N 3.09Å; F371-M373 HydrophobicContact CE1-CB 3.88Å; F371-M373 HydrophobicContact CE1-CE 3.66Å; F371-M373 HydrophobicContact CZ-CB 4.28Å; F371-M373 HydrophobicContact CZ-CE 3.95Å; F371-I390 HydrophobicContact CB-CB 4.22Å; F371-I390 HydrophobicContact CD1-CB 4.17Å; F371-I390 HydrophobicContact CD1-CD1 3.94Å; F371-I390 HydrophobicContact CD1-CG1 4.27Å; F371-I390 HydrophobicContact CE1-CD1 4.33Å; F371-I390 PolarHBondContact N-O 3.1Å; F371-I390 WeakPolarHBondContact O-CB 3.2Å; F371-I390 PolarHBondContact O-N 3.35Å |
| 372 | F | 42.6 | Very low | 37.9 | Very low | 23 Ų | 23 | 63 Ų | 63 | 10% | 0.101 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138.9 | 173 | -61.7 | -87.8 | 0 | 0 | 0 | 111 | A262 Y263 M265 L370 I387 F388 E389 | A262-F372 CarbonylContact C-O 3.42Å; A262-F372 VanDerWaalsContact CA-O 3.3Å; A262-F372 WeakPolarHBondContact CA-O 3.12Å; Y263-F372 HydrophobicContact CD1-CB 3.96Å; Y263-F372 HydrophobicContact CD2-CB 3.69Å; Y263-F372 AromaticContact CD2-CD2 3.74Å; Y263-F372 HydrophobicContact CD2-CD2 3.74Å; Y263-F372 HydrophobicContact CD2-CG 4.01Å; Y263-F372 HydrophobicContact CE1-CB 3.74Å; Y263-F372 HydrophobicContact CE2-CB 3.43Å; Y263-F372 VanDerWaalsContact CE2-CB 3.43Å; Y263-F372 HydrophobicContact CE2-CD1 4.38Å; Y263-F372 AromaticContact CE2-CD2 3.45Å; Y263-F372 HydrophobicContact CE2-CD2 3.45Å; Y263-F372 VanDerWaalsContact CE2-CD2 3.45Å; Y263-F372 HydrophobicContact CE2-CE2 4.32Å; Y263-F372 AromaticContact CE2-CG 3.49Å; Y263-F372 HydrophobicContact CE2-CG 3.49Å; Y263-F372 VanDerWaalsContact CE2-CG 3.49Å; Y263-F372 HydrophobicContact CG-CB 3.93Å; Y263-F372 VanDerWaalsContact CZ-CB 3.45Å; Y263-F372 AromaticContact CZ-CG 3.81Å; Y263-F372 PolarHBondContact N-O 3.43Å; Y263-F372 WeakPolarHBondContact O-CB 3.3Å; Y263-F372 PolarHBondContact O-N 3.01Å; M265-F372 HydrophobicContact CB-CD2 4.34Å; M265-F372 HydrophobicContact CB-CE2 3.88Å; M265-F372 HydrophobicContact CG-CD2 3.83Å; M265-F372 HydrophobicContact CG-CE2 3.63Å; M265-F372 HydrophobicContact SD-CD2 4.12Å; M265-F372 HydrophobicContact SD-CE2 3.61Å; M265-F372 HydrophobicContact SD-CZ 4.32Å; L370-F372 HydrophobicContact CB-CD2 4.29Å; L370-F372 HydrophobicContact CB-CE2 3.52Å; L370-F372 HydrophobicContact CB-CZ 3.88Å; L370-F372 HydrophobicContact CD1-CE2 4.42Å; L370-F372 HydrophobicContact CD1-CZ 4.18Å; L370-F372 WeakPolarHBondContact O-CD2 3.37Å; L370-F372 WeakPolarHBondContact O-CE2 3.37Å; L370-F372 PolarHBondContact O-N 2.75Å; F372-I387 HydrophobicContact CB-CG2 4.5Å; F372-I387 HydrophobicContact CD1-CG2 3.57Å; F372-I387 HydrophobicContact CE1-CG2 4.29Å; F372-I387 HydrophobicContact CG-CG2 4.45Å; F372-F388 VanDerWaalsContact CA-O 3.24Å; F372-F388 WeakPolarHBondContact CA-O 3.47Å; F372-F388 WeakPolarHBondContact CD1-O 3.29Å; F372-E389 HydrophobicContact CE1-CB 3.97Å; F372-E389 HydrophobicContact CE1-CG 4.04Å; F372-E389 HydrophobicContact CZ-CG 4.14Å |
| 373 | M | 48 | Very low | 38 | Very low | 11 Ų | 11 | 71.8 Ų | 71.8 | 5% | 0.054 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126 | 169.3 | -174 | -177.1 | -51.2 | 0 | 0 | 107.5 | L231 W254 V259 F371 I387 F388 | L231-M373 HydrophobicContact CD2-CE 3.6Å; L231-M373 HydrophobicContact CD2-SD 4.05Å; W254-M373 HydrophobicContact CE3-SD 4.3Å; V259-M373 HydrophobicContact CG1-CG 3.59Å; V259-M373 HydrophobicContact CG1-SD 4.04Å; V259-M373 HydrophobicContact CG2-SD 4.05Å; F371-M373 HydrophobicContact CE1-CB 3.88Å; F371-M373 HydrophobicContact CE1-CE 3.66Å; F371-M373 HydrophobicContact CZ-CB 4.28Å; F371-M373 HydrophobicContact CZ-CE 3.95Å; M373-I387 WeakPolarHBondContact O-CA 3.26Å; M373-F388 HydrophobicContact CB-CD2 4.14Å; M373-F388 WeakPolarHBondContact O-CD2 3.47Å; M373-F388 PolarHBondContact O-N 3.41Å; M373-F388 VanDerWaalsContact O-N 3.15Å |
| 374 | E | 46.7 | Very low | 38.2 | Very low | 39 Ų | 39 | 64.9 Ų | 64.9 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 107.7 | -179.4 | -170.4 | -176.1 | 165.2 | 0 | 0 | 107.8 | D260 K261 Y386 I387 | D260-E374 PolarHBondContact N-O 3.34Å; K261-E374 HydrophobicContact CB-CB 4.06Å; K261-E374 WeakPolarHBondContact CD-OE2 3.25Å; K261-E374 WeakPolarHBondContact CE-OE2 3.42Å; K261-E374 WeakPolarHBondContact CG-OE2 3.25Å; K261-E374 PolarHBondContact N-O 3.34Å; K261-E374 VanDerWaalsContact N-O 3.15Å; K261-E374 IonicContact NZ-OE1 2.88Å; K261-E374 PolarHBondContact NZ-OE1 2.83Å; K261-E374 IonicContact NZ-OE2 2.74Å; K261-E374 PolarHBondContact NZ-OE2 3.04Å; K261-E374 PolarHBondContact O-N 2.84Å; E374-Y386 VanDerWaalsContact CA-O 3.31Å; E374-Y386 WeakPolarHBondContact CA-O 3.32Å; E374-I387 HydrophobicContact CB-CG1 4.47Å; E374-I387 HydrophobicContact CG-CG1 4.16Å |
| 375 | C | 49 | Very low | 38.6 | Very low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 142.4 | -176.3 | -70.2 | 0 | 0 | 0 | 0 | 112.2 | S385 Y386 | C375-S385 WeakPolarHBondContact O-CA 3.27Å; C375-Y386 PolarHBondContact N-O 3.42Å; C375-Y386 PolarHBondContact O-N 2.85Å |
| 376 | S | 46.9 | Very low | 39.2 | Very low | 27 Ų | 27 | 58.8 Ų | 58.8 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | | | trans | -57.9 | 142.7 | 173.2 | 170.8 | 0 | 0 | 0 | 0 | 111.7 | H258 D260 A378 S379 | H258-S376 WeakPolarHBondContact O-CB 3.38Å; H258-S376 PolarHBondContact O-N 3.11Å; D260-S376 WeakPolarHBondContact OD1-CB 3.29Å; D260-S376 WeakPolarHBondContact OD2-CA 3.44Å; D260-S376 WeakPolarHBondContact OD2-CB 3.42Å; D260-S376 PolarHBondContact OD2-N 3.15Å; S376-A378 PolarHBondContact O-N 3.26Å; S376-A378 PolarHBondContact OG-N 2.83Å; S376-S379 VanDerWaalsContact O-CB 3.26Å; S376-S379 WeakPolarHBondContact O-CB 3.46Å; S376-S379 PolarHBondContact O-N 3.34Å |
| 377 | P | 42.8 | Very low | 39.3 | Very low | 62 Ų | 62 | 59 Ų | 59 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -5.1 | 172.9 | -23.6 | 33.2 | 0 | 0 | 0 | 116.2 | G384 | P377-G384 WeakPolarHBondContact CA-O 3.43Š|
| 378 | A | 44 | Very low | 39.6 | Very low | 61 Ų | 61 | 57.3 Ų | 57.3 | 50% | 0.504 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.8 | 170 | 0 | 0 | 0 | 0 | 0 | 113.5 | S376 G380 | S376-A378 PolarHBondContact O-N 3.26Å; S376-A378 PolarHBondContact OG-N 2.83Å; A378-G380 PolarHBondContact O-N 3.41Å |
| 379 | S | 40.9 | Very low | 39.5 | Very low | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -83.2 | 80.3 | -173.2 | -148.1 | 0 | 0 | 0 | 0 | 113.3 | W254 H258 S376 | W254-S379 WeakPolarHBondContact CB-OG 3.21Å; W254-S379 VanDerWaalsContact CD1-O 3.32Å; H258-S379 VanDerWaalsContact CB-OG 3.25Å; H258-S379 WeakPolarHBondContact CB-OG 3.4Å; S376-S379 VanDerWaalsContact O-CB 3.26Å; S376-S379 WeakPolarHBondContact O-CB 3.46Å; S376-S379 PolarHBondContact O-N 3.34Å |
| 380 | G | 35.7 | Very low | 39.5 | Very low | 45 Ų | 45 | 56.2 Ų | 56.2 | 46% | 0.464 | 30% | 0.304 | S | S | . | . | S | Bend | trans | 99.8 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A378 G382 | A378-G380 PolarHBondContact O-N 3.41Å; G380-G382 VanDerWaalsContact C-N 3.3Å; G380-G382 PolarHBondContact O-N 2.82Å |
| 381 | K | 36.4 | Very low | 39.4 | Very low | 196 Ų | 196 | 56.4 Ų | 56.4 | 85% | 0.852 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -85.3 | 70.5 | -176.8 | -67.1 | -177.5 | -179.6 | 176.2 | 0 | 111.2 | | |
| 382 | G | 34.2 | Very low | 39.3 | Very low | 32 Ų | 32 | 58.4 Ų | 58.4 | 33% | 0.33 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -168.2 | 137.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | G380 Y386 | G380-G382 VanDerWaalsContact C-N 3.3Å; G380-G382 PolarHBondContact O-N 2.82Å; G382-Y386 PolarHBondContact O-OH 2.81Å |
| 383 | R | 29.5 | Very low | 39 | Very low | 247 Ų | 247 | 60 Ų | 60 | 93% | 0.932 | 35% | 0.346 | S | S | * | . | | | trans | -87.4 | 121.4 | 174.2 | -84.5 | -177.2 | 169.9 | 172 | -2.5 | 109.7 | Y386 | R383-Y386 VanDerWaalsContact C-OH 3.23Å; R383-Y386 PolarHBondContact N-OH 3.09Å; R383-Y386 PolarHBondContact O-OH 2.84Å |
| 384 | G | 32.3 | Very low | 38.8 | Very low | 24 Ų | 24 | 64.6 Ų | 64.6 | 25% | 0.247 | 36% | 0.363 | C | S | . | . | S | Bend | trans | 159.8 | 148.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P377 Y386 | P377-G384 WeakPolarHBondContact CA-O 3.43Å; G384-Y386 VanDerWaalsContact O-CD2 3.26Å; G384-Y386 WeakPolarHBondContact O-CD2 3.39Å; G384-Y386 WeakPolarHBondContact O-CE2 3.35Å; G384-Y386 PolarHBondContact O-N 2.83Å |
| 385 | S | 32.9 | Very low | 38.7 | Very low | 77 Ų | 77 | 67.4 Ų | 67.4 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | | | trans | -78.8 | 112 | 165.2 | -66.1 | 0 | 0 | 0 | 0 | 107.5 | C375 | C375-S385 WeakPolarHBondContact O-CA 3.27Š|
| 386 | Y | 40.2 | Very low | 38.3 | Very low | 48 Ų | 48 | 69.9 Ų | 69.9 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.9 | -174.3 | -59.1 | -65.1 | 0 | 0 | 0 | 110.3 | E374 C375 G382 R383 G384 F388 F405 | E374-Y386 VanDerWaalsContact CA-O 3.31Å; E374-Y386 WeakPolarHBondContact CA-O 3.32Å; C375-Y386 PolarHBondContact N-O 3.42Å; C375-Y386 PolarHBondContact O-N 2.85Å; G382-Y386 PolarHBondContact O-OH 2.81Å; R383-Y386 VanDerWaalsContact C-OH 3.23Å; R383-Y386 PolarHBondContact N-OH 3.09Å; R383-Y386 PolarHBondContact O-OH 2.84Å; G384-Y386 VanDerWaalsContact O-CD2 3.26Å; G384-Y386 WeakPolarHBondContact O-CD2 3.39Å; G384-Y386 WeakPolarHBondContact O-CE2 3.35Å; G384-Y386 PolarHBondContact O-N 2.83Å; Y386-F388 HydrophobicContact CG-CZ 4.49Å; Y386-F405 AromaticContact CD1-CE2 3.86Å; Y386-F405 HydrophobicContact CD1-CE2 3.86Å; Y386-F405 AromaticContact CD1-CZ 3.93Å; Y386-F405 HydrophobicContact CD1-CZ 3.93Å; Y386-F405 AromaticContact CE1-CE2 3.8Å; Y386-F405 HydrophobicContact CE1-CE2 3.8Å; Y386-F405 AromaticContact CE1-CZ 3.74Å; Y386-F405 HydrophobicContact CE1-CZ 3.74Å; Y386-F405 HydrophobicContact CE2-CZ 4.48Å; Y386-F405 HydrophobicContact CG-CZ 4.41Å |
| 387 | I | 35.2 | Very low | 38.2 | Very low | 97 Ų | 97 | 70 Ų | 70 | 50% | 0.497 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112.6 | 173.3 | -65.6 | 175.8 | 0 | 0 | 0 | 107.3 | F372 M373 E374 | F372-I387 HydrophobicContact CB-CG2 4.5Å; F372-I387 HydrophobicContact CD1-CG2 3.57Å; F372-I387 HydrophobicContact CE1-CG2 4.29Å; F372-I387 HydrophobicContact CG-CG2 4.45Å; M373-I387 WeakPolarHBondContact O-CA 3.26Å; E374-I387 HydrophobicContact CB-CG1 4.47Å; E374-I387 HydrophobicContact CG-CG1 4.16Å |
| 388 | F | 38.8 | Very low | 38.4 | Very low | 30 Ų | 30 | 67.9 Ų | 67.9 | 13% | 0.132 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 147.4 | 176.2 | -60.1 | -81.8 | 0 | 0 | 0 | 110.7 | W254 F372 M373 Y386 I390 | W254-F388 AromaticContact CE2-CZ 3.96Å; W254-F388 HydrophobicContact CH2-CD1 4.29Å; W254-F388 HydrophobicContact CH2-CD2 4.39Å; W254-F388 AromaticContact CH2-CE1 3.64Å; W254-F388 HydrophobicContact CH2-CE1 3.64Å; W254-F388 AromaticContact CH2-CE2 3.76Å; W254-F388 HydrophobicContact CH2-CE2 3.76Å; W254-F388 AromaticContact CH2-CZ 3.36Å; W254-F388 HydrophobicContact CH2-CZ 3.36Å; W254-F388 AromaticContact CZ2-CE1 3.77Å; W254-F388 HydrophobicContact CZ2-CE1 3.77Å; W254-F388 AromaticContact CZ2-CE2 3.76Å; W254-F388 HydrophobicContact CZ2-CE2 3.76Å; W254-F388 AromaticContact CZ2-CZ 3.16Å; W254-F388 HydrophobicContact CZ2-CZ 3.16Å; W254-F388 HydrophobicContact CZ3-CE2 4.27Å; W254-F388 HydrophobicContact CZ3-CZ 4.29Å; F372-F388 VanDerWaalsContact CA-O 3.24Å; F372-F388 WeakPolarHBondContact CA-O 3.47Å; F372-F388 WeakPolarHBondContact CD1-O 3.29Å; M373-F388 HydrophobicContact CB-CD2 4.14Å; M373-F388 WeakPolarHBondContact O-CD2 3.47Å; M373-F388 PolarHBondContact O-N 3.41Å; M373-F388 VanDerWaalsContact O-N 3.15Å; Y386-F388 HydrophobicContact CG-CZ 4.49Å; F388-I390 HydrophobicContact CB-CD1 4.38Å; F388-I390 HydrophobicContact CB-CG1 4.16Å |
| 389 | E | 34.5 | Very low | 38.4 | Very low | 106 Ų | 106 | 65.1 Ų | 65.1 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 104.8 | 170.1 | -175.5 | 177.2 | 163.2 | 0 | 0 | 108.1 | L370 F372 | L370-E389 HydrophobicContact CB-CG 4.27Å; L370-E389 HydrophobicContact CD1-CG 4.24Å; L370-E389 WeakPolarHBondContact CD1-OE1 3.48Å; L370-E389 HydrophobicContact CD2-CG 3.93Å; L370-E389 WeakPolarHBondContact CD2-OE1 3.47Å; L370-E389 HydrophobicContact CG-CG 4.36Å; F372-E389 HydrophobicContact CE1-CB 3.97Å; F372-E389 HydrophobicContact CE1-CG 4.04Å; F372-E389 HydrophobicContact CZ-CG 4.14Å |
| 390 | I | 39.9 | Very low | 38.7 | Very low | 24 Ų | 24 | 67.6 Ų | 67.6 | 12% | 0.123 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106.3 | -175.8 | -51.7 | -173.7 | 0 | 0 | 0 | 109.1 | F371 F388 G392 L398 | F371-I390 HydrophobicContact CB-CB 4.22Å; F371-I390 HydrophobicContact CD1-CB 4.17Å; F371-I390 HydrophobicContact CD1-CD1 3.94Å; F371-I390 HydrophobicContact CD1-CG1 4.27Å; F371-I390 HydrophobicContact CE1-CD1 4.33Å; F371-I390 PolarHBondContact N-O 3.1Å; F371-I390 WeakPolarHBondContact O-CB 3.2Å; F371-I390 PolarHBondContact O-N 3.35Å; F388-I390 HydrophobicContact CB-CD1 4.38Å; F388-I390 HydrophobicContact CB-CG1 4.16Å; I390-G392 PolarHBondContact O-N 2.91Å; I390-G392 VanDerWaalsContact O-N 3.15Å; I390-L398 HydrophobicContact CD1-CD1 3.6Å; I390-L398 HydrophobicContact CD1-CD2 4.35Å; I390-L398 HydrophobicContact CG1-CD1 3.92Å; I390-L398 HydrophobicContact CG2-CB 4.29Å; I390-L398 HydrophobicContact CG2-CD1 4.3Å; I390-L398 HydrophobicContact CG2-CD2 4.2Å; I390-L398 HydrophobicContact CG2-CG 4.5Å |
| 391 | D | 39 | Very low | 39.2 | Very low | 10 Ų | 10 | 67.7 Ų | 67.7 | 5% | 0.053 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 112 | 169.2 | -170.4 | -37.7 | 0 | 0 | 0 | 109.7 | K368 L370 S393 R394 | K368-D391 WeakPolarHBondContact CD-OD2 3.22Å; K368-D391 WeakPolarHBondContact CE-OD2 3.43Å; K368-D391 VanDerWaalsContact CG-OD2 3.26Å; K368-D391 WeakPolarHBondContact CG-OD2 3.14Å; K368-D391 IonicContact NZ-OD2 2.69Å; K368-D391 PolarHBondContact NZ-OD2 2.77Å; L370-D391 HydrophobicContact CD2-CB 4.48Å; D391-S393 VanDerWaalsContact CG-OG 3.31Å; D391-S393 PolarHBondContact O-N 3.37Å; D391-S393 WeakPolarHBondContact OD1-CB 3.27Å; D391-S393 PolarHBondContact OD1-N 2.76Å; D391-S393 PolarHBondContact OD1-OG 2.66Å; D391-R394 PolarHBondContact O-N 3.42Å |
| 392 | G | 35.9 | Very low | 39.8 | Very low | 63 Ų | 63 | 58.7 Ų | 58.7 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -13.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y369 I390 | Y369-G392 PolarHBondContact O-N 2.92Å; Y369-G392 VanDerWaalsContact O-N 3.12Å; I390-G392 PolarHBondContact O-N 2.91Å; I390-G392 VanDerWaalsContact O-N 3.15Å |
| 393 | S | 37.2 | Very low | 40.5 | Very low | 58 Ų | 58 | 60.6 Ų | 60.6 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.1 | 175.9 | 67.6 | 0 | 0 | 0 | 0 | 114.6 | D391 | D391-S393 VanDerWaalsContact CG-OG 3.31Å; D391-S393 PolarHBondContact O-N 3.37Å; D391-S393 WeakPolarHBondContact OD1-CB 3.27Å; D391-S393 PolarHBondContact OD1-N 2.76Å; D391-S393 PolarHBondContact OD1-OG 2.66Å |
| 394 | R | 42.7 | Very low | 41.4 | Very low | 107 Ų | 107 | 51.6 Ų | 51.6 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | | | trans | -141.1 | 87.6 | -166.3 | -75 | 175.9 | 170.9 | 177.7 | -12.4 | 114.6 | D391 A396 E397 L398 | D391-R394 PolarHBondContact O-N 3.42Å; R394-A396 PolarHBondContact O-N 2.99Å; R394-E397 HydrophobicContact CB-CB 4.19Å; R394-E397 HydrophobicContact CB-CG 3.92Å; R394-E397 WeakPolarHBondContact CD-OE1 3.46Å; R394-E397 IonicContact CZ-OE1 3.59Å; R394-E397 IonicContact NE-OE1 2.69Å; R394-E397 IonicContact NH1-OE1 2.91Å; R394-E397 PolarHBondContact NH1-OE1 3.34Å; R394-E397 PolarHBondContact O-N 3.15Å; R394-L398 PolarHBondContact O-N 2.97Å |
| 395 | L | 44.3 | Very low | 42 | Very low | 98 Ų | 98 | 53.7 Ų | 53.7 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -53 | -24.2 | 171.7 | -166.5 | 62.8 | 0 | 0 | 0 | 114.3 | W236 L398 T399 | W236-L395 VanDerWaalsContact O-CD2 3.26Å; W236-L395 WeakPolarHBondContact O-CD2 3.4Å; W236-L395 WeakPolarHBondContact O-CG 3.24Å; L395-L398 HydrophobicContact CD1-CD2 4.27Å; L395-T399 PolarHBondContact O-N 2.9Å; L395-T399 PolarHBondContact O-OG1 3.03Å |
| 396 | A | 42.2 | Very low | 42.7 | Very low | 51 Ų | 51 | 51.4 Ų | 51.4 | 42% | 0.421 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -81.2 | -27.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | W236 R394 L398 T399 I400 | W236-A396 HydrophobicContact CZ3-CB 4.21Å; R394-A396 PolarHBondContact O-N 2.99Å; A396-L398 VanDerWaalsContact C-N 3.33Å; A396-T399 WeakPolarHBondContact O-CB 3.4Å; A396-T399 PolarHBondContact O-N 2.83Å; A396-I400 WeakPolarHBondContact O-CG1 3.46Å; A396-I400 PolarHBondContact O-N 2.84Å |
| 397 | E | 43.9 | Very low | 43 | Very low | 30 Ų | 30 | 51.3 Ų | 51.3 | 14% | 0.14 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 171.1 | -72.5 | 179 | -166.6 | 0 | 0 | 109.8 | R394 T399 I400 A401 T426 Q430 | R394-E397 HydrophobicContact CB-CB 4.19Å; R394-E397 HydrophobicContact CB-CG 3.92Å; R394-E397 WeakPolarHBondContact CD-OE1 3.46Å; R394-E397 IonicContact CZ-OE1 3.59Å; R394-E397 IonicContact NE-OE1 2.69Å; R394-E397 IonicContact NH1-OE1 2.91Å; R394-E397 PolarHBondContact NH1-OE1 3.34Å; R394-E397 PolarHBondContact O-N 3.15Å; E397-T399 PolarHBondContact O-N 3.36Å; E397-I400 PolarHBondContact O-N 2.92Å; E397-A401 PolarHBondContact O-N 3.12Å; E397-T426 HydrophobicContact CG-CG2 4.19Å; E397-Q430 VanDerWaalsContact CG-NE2 3.35Å; E397-Q430 PolarHBondContact OE1-NE2 2.86Å |
| 398 | L | 46.2 | Very low | 43.4 | Very low | 17 Ų | 17 | 48.9 Ų | 48.9 | 9% | 0.089 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55 | -51.5 | 170.7 | 176.1 | 56 | 0 | 0 | 0 | 111.4 | L238 I390 R394 L395 A396 I400 A401 I402 | L238-L398 HydrophobicContact CD1-CD2 4Å; L238-L398 HydrophobicContact CD2-CD2 4.36Å; L238-L398 HydrophobicContact CG-CD2 4Å; I390-L398 HydrophobicContact CD1-CD1 3.6Å; I390-L398 HydrophobicContact CD1-CD2 4.35Å; I390-L398 HydrophobicContact CG1-CD1 3.92Å; I390-L398 HydrophobicContact CG2-CB 4.29Å; I390-L398 HydrophobicContact CG2-CD1 4.3Å; I390-L398 HydrophobicContact CG2-CD2 4.2Å; I390-L398 HydrophobicContact CG2-CG 4.5Å; R394-L398 PolarHBondContact O-N 2.97Å; L395-L398 HydrophobicContact CD1-CD2 4.27Å; A396-L398 VanDerWaalsContact C-N 3.33Å; L398-I400 VanDerWaalsContact C-N 3.34Å; L398-I400 PolarHBondContact O-N 2.81Å; L398-A401 PolarHBondContact O-N 3.08Å; L398-I402 HydrophobicContact CD1-CD1 3.66Å; L398-I402 HydrophobicContact CD1-CG1 3.88Å; L398-I402 HydrophobicContact CG-CD1 3.71Å; L398-I402 HydrophobicContact CG-CG1 4.43Å; L398-I402 VanDerWaalsContact O-CD1 3.22Å; L398-I402 WeakPolarHBondContact O-CD1 3.35Å; L398-I402 WeakPolarHBondContact O-CG1 3.31Å; L398-I402 PolarHBondContact O-N 3.42Å; L398-I402 VanDerWaalsContact O-N 3.07Å |
| 399 | T | 44.6 | Very low | 43.3 | Very low | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -47.1 | -55.6 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | H235 W236 L395 A396 E397 A401 I402 E403 | H235-T399 VanDerWaalsContact O-CB 3.27Å; H235-T399 WeakPolarHBondContact O-CB 3.31Å; H235-T399 WeakPolarHBondContact O-CG2 3.14Å; H235-T399 PolarHBondContact O-OG1 3.04Å; W236-T399 HydrophobicContact CD2-CG2 4.48Å; W236-T399 HydrophobicContact CE3-CG2 3.99Å; W236-T399 VanDerWaalsContact CE3-OG1 3.25Å; W236-T399 HydrophobicContact CH2-CG2 4.22Å; W236-T399 HydrophobicContact CZ3-CG2 3.85Å; L395-T399 PolarHBondContact O-N 2.9Å; L395-T399 PolarHBondContact O-OG1 3.03Å; A396-T399 WeakPolarHBondContact O-CB 3.4Å; A396-T399 PolarHBondContact O-N 2.83Å; E397-T399 PolarHBondContact O-N 3.36Å; T399-A401 PolarHBondContact O-N 3.41Å; T399-I402 PolarHBondContact O-N 3.23Å; T399-E403 WeakPolarHBondContact O-CG 3.45Å; T399-E403 PolarHBondContact O-N 3.33Å |
| 400 | I | 46.8 | Very low | 43.4 | Very low | 55 Ų | 55 | 58 Ų | 58 | 28% | 0.282 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | -175.9 | -65.6 | 164.8 | 0 | 0 | 0 | 111.3 | A396 E397 L398 I402 E403 Q404 A429 | A396-I400 WeakPolarHBondContact O-CG1 3.46Å; A396-I400 PolarHBondContact O-N 2.84Å; E397-I400 PolarHBondContact O-N 2.92Å; L398-I400 VanDerWaalsContact C-N 3.34Å; L398-I400 PolarHBondContact O-N 2.81Å; I400-I402 PolarHBondContact O-N 2.84Å; I400-E403 PolarHBondContact O-N 2.67Å; I400-Q404 HydrophobicContact CG2-CG 4.45Å; I400-Q404 WeakPolarHBondContact O-CG 3.45Å; I400-Q404 PolarHBondContact O-N 3.23Å; I400-A429 HydrophobicContact CD1-CB 4.36Å |
| 401 | A | 47.9 | Very low | 43.4 | Very low | 47 Ų | 47 | 60.2 Ų | 60.2 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E397 L398 T399 F405 | E397-A401 PolarHBondContact O-N 3.12Å; L398-A401 PolarHBondContact O-N 3.08Å; T399-A401 PolarHBondContact O-N 3.41Å; A401-F405 WeakPolarHBondContact O-CB 3.2Å; A401-F405 PolarHBondContact O-N 2.83Å |
| 402 | I | 47.5 | Very low | 43.6 | Very low | 8 Ų | 8 | 64.9 Ų | 64.9 | 4% | 0.041 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.9 | -37.2 | 177.1 | -47.5 | 145.9 | 0 | 0 | 0 | 110.6 | V233 I251 L398 T399 I400 F405 T406 | V233-I402 HydrophobicContact CG1-CB 4.36Å; V233-I402 HydrophobicContact CG1-CD1 3.26Å; V233-I402 HydrophobicContact CG1-CG1 3.81Å; V233-I402 HydrophobicContact CG1-CG2 3.74Å; I251-I402 HydrophobicContact CB-CG2 3.94Å; I251-I402 HydrophobicContact CD1-CB 4.08Å; I251-I402 HydrophobicContact CD1-CG2 3.82Å; I251-I402 HydrophobicContact CG1-CG2 4.48Å; I251-I402 HydrophobicContact CG2-CG2 3.49Å; I251-I402 VanDerWaalsContact CG2-CG2 3.49Å; L398-I402 HydrophobicContact CD1-CD1 3.66Å; L398-I402 HydrophobicContact CD1-CG1 3.88Å; L398-I402 HydrophobicContact CG-CD1 3.71Å; L398-I402 HydrophobicContact CG-CG1 4.43Å; L398-I402 VanDerWaalsContact O-CD1 3.22Å; L398-I402 WeakPolarHBondContact O-CD1 3.35Å; L398-I402 WeakPolarHBondContact O-CG1 3.31Å; L398-I402 PolarHBondContact O-N 3.42Å; L398-I402 VanDerWaalsContact O-N 3.07Å; T399-I402 PolarHBondContact O-N 3.23Å; I400-I402 PolarHBondContact O-N 2.84Å; I402-F405 PolarHBondContact O-N 2.8Å; I402-T406 WeakPolarHBondContact O-CB 3.26Å; I402-T406 PolarHBondContact O-N 3.14Å; I402-T406 PolarHBondContact O-OG1 3.45Å |
| 403 | E | 49.2 | Very low | 43.9 | Very low | 71 Ų | 71 | 68.9 Ų | 68.9 | 33% | 0.332 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 176.2 | -69.5 | -148.2 | 118.7 | 0 | 0 | 112.2 | H235 I251 T399 I400 F405 T406 A407 | H235-E403 IonicContact CE1-OE1 2.61Å; H235-E403 PolarHBondContact CE1-OE1 3.42Å; H235-E403 IonicContact CE1-OE2 3.73Å; H235-E403 PolarHBondContact CE1-OE2 3.47Å; H235-E403 IonicContact ND1-OE1 3.31Å; H235-E403 PolarHBondContact ND1-OE1 3.4Å; I251-E403 HydrophobicContact CD1-CG 4.33Å; T399-E403 WeakPolarHBondContact O-CG 3.45Å; T399-E403 PolarHBondContact O-N 3.33Å; I400-E403 PolarHBondContact O-N 2.67Å; E403-F405 PolarHBondContact O-N 2.91Å; E403-T406 CarbonylContact O-C 3.57Å; E403-T406 WeakPolarHBondContact O-CA 3.34Å; E403-T406 WeakPolarHBondContact O-CB 3.2Å; E403-T406 PolarHBondContact O-N 2.9Å; E403-A407 PolarHBondContact O-N 3.34Å |
| 404 | Q | 49 | Very low | 44.3 | Very low | 58 Ų | 58 | 70.3 Ų | 70.3 | 27% | 0.271 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 172.7 | -71.2 | 176.7 | 9.3 | 0 | 0 | 111.5 | I400 T406 A407 L408 | I400-Q404 HydrophobicContact CG2-CG 4.45Å; I400-Q404 WeakPolarHBondContact O-CG 3.45Å; I400-Q404 PolarHBondContact O-N 3.23Å; Q404-T406 PolarHBondContact O-N 2.6Å; Q404-A407 PolarHBondContact O-N 2.91Å; Q404-A407 VanDerWaalsContact O-N 3.13Å; Q404-L408 WeakPolarHBondContact O-CG 3.15Å; Q404-L408 PolarHBondContact O-N 3.15Å |
| 405 | F | 45 | Very low | 44.3 | Very low | 69 Ų | 69 | 73.2 Ų | 73.2 | 30% | 0.303 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.8 | -31.8 | 173.3 | -172.7 | -101.6 | 0 | 0 | 0 | 112.9 | Y386 A401 I402 E403 R409 | Y386-F405 AromaticContact CD1-CE2 3.86Å; Y386-F405 HydrophobicContact CD1-CE2 3.86Å; Y386-F405 AromaticContact CD1-CZ 3.93Å; Y386-F405 HydrophobicContact CD1-CZ 3.93Å; Y386-F405 AromaticContact CE1-CE2 3.8Å; Y386-F405 HydrophobicContact CE1-CE2 3.8Å; Y386-F405 AromaticContact CE1-CZ 3.74Å; Y386-F405 HydrophobicContact CE1-CZ 3.74Å; Y386-F405 HydrophobicContact CE2-CZ 4.48Å; Y386-F405 HydrophobicContact CG-CZ 4.41Å; A401-F405 WeakPolarHBondContact O-CB 3.2Å; A401-F405 PolarHBondContact O-N 2.83Å; I402-F405 PolarHBondContact O-N 2.8Å; E403-F405 PolarHBondContact O-N 2.91Å; F405-R409 PolarHBondContact O-N 3.12Å |
| 406 | T | 46.1 | Very low | 44.2 | Very low | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.172 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -77 | -32.5 | 176.3 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | I251 I402 E403 Q404 R409 Y410 | I251-T406 HydrophobicContact CG2-CG2 4.23Å; I251-T406 WeakPolarHBondContact CG2-OG1 3.41Å; I402-T406 WeakPolarHBondContact O-CB 3.26Å; I402-T406 PolarHBondContact O-N 3.14Å; I402-T406 PolarHBondContact O-OG1 3.45Å; E403-T406 CarbonylContact O-C 3.57Å; E403-T406 WeakPolarHBondContact O-CA 3.34Å; E403-T406 WeakPolarHBondContact O-CB 3.2Å; E403-T406 PolarHBondContact O-N 2.9Å; Q404-T406 PolarHBondContact O-N 2.6Å; T406-R409 WeakPolarHBondContact O-CB 3.37Å; T406-R409 PolarHBondContact O-N 3.15Å; T406-Y410 HydrophobicContact CG2-CD2 4.37Å; T406-Y410 HydrophobicContact CG2-CE2 4.1Å; T406-Y410 VanDerWaalsContact O-CD2 3.29Å; T406-Y410 WeakPolarHBondContact O-CD2 3.35Å; T406-Y410 PolarHBondContact O-N 2.97Å |
| 407 | A | 47.1 | Very low | 44.1 | Very low | 47 Ų | 47 | 72 Ų | 72 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.2 | -45.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E403 Q404 R409 Y410 N411 L414 | E403-A407 PolarHBondContact O-N 3.34Å; Q404-A407 PolarHBondContact O-N 2.91Å; Q404-A407 VanDerWaalsContact O-N 3.13Å; A407-R409 PolarHBondContact O-N 3.03Å; A407-R409 VanDerWaalsContact O-N 3.15Å; A407-Y410 PolarHBondContact O-N 3.19Å; A407-N411 PolarHBondContact O-N 3.49Å; A407-L414 HydrophobicContact CB-CD1 4.44Å |
| 408 | L | 44.5 | Very low | 43.7 | Very low | 45 Ų | 45 | 74.2 Ų | 74.2 | 24% | 0.236 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -55.2 | -31.5 | 173.7 | -66.8 | 169.3 | 0 | 0 | 0 | 112.5 | Q404 N411 P412 L414 P416 | Q404-L408 WeakPolarHBondContact O-CG 3.15Å; Q404-L408 PolarHBondContact O-N 3.15Å; L408-N411 CarbonylContact O-C 3.49Å; L408-P412 WeakPolarHBondContact O-CA 3.23Å; L408-L414 HydrophobicContact CD2-CB 3.82Å; L408-L414 WeakPolarHBondContact CD2-O 3.47Å; L408-P416 HydrophobicContact CD1-CB 3.93Å |
| 409 | R | 37.1 | Very low | 43.1 | Very low | 133 Ų | 133 | 78 Ų | 78 | 50% | 0.502 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73.5 | -25.3 | 177.1 | -175.7 | -177.6 | 177 | -158.2 | -3 | 114 | F405 T406 A407 | F405-R409 PolarHBondContact O-N 3.12Å; T406-R409 WeakPolarHBondContact O-CB 3.37Å; T406-R409 PolarHBondContact O-N 3.15Å; A407-R409 PolarHBondContact O-N 3.03Å; A407-R409 VanDerWaalsContact O-N 3.15Å |
| 410 | Y | 36.8 | Very low | 42.4 | Very low | 194 Ų | 194 | 80.8 Ų | 80.8 | 76% | 0.761 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -93.2 | -26.4 | 175.6 | -77.8 | -73.3 | 0 | 0 | 0 | 113.1 | T406 A407 | T406-Y410 HydrophobicContact CG2-CD2 4.37Å; T406-Y410 HydrophobicContact CG2-CE2 4.1Å; T406-Y410 VanDerWaalsContact O-CD2 3.29Å; T406-Y410 WeakPolarHBondContact O-CD2 3.35Å; T406-Y410 PolarHBondContact O-N 2.97Å; A407-Y410 PolarHBondContact O-N 3.19Å |
| 411 | N | 39.4 | Very low | 41.9 | Very low | 72 Ų | 72 | 82.2 Ų | 82.2 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | | | trans | -137.4 | 95.5 | 172 | -171.8 | -11.8 | 0 | 0 | 0 | 110.9 | A407 L408 N413 L414 | A407-N411 PolarHBondContact O-N 3.49Å; L408-N411 CarbonylContact O-C 3.49Å; N411-N413 PolarHBondContact O-N 3.24Å; N411-N413 VanDerWaalsContact O-N 3.15Å; N411-N413 WeakPolarHBondContact OD1-CB 3.48Å; N411-N413 PolarHBondContact OD1-N 3.34Å; N411-L414 HydrophobicContact CB-CD1 4.02Å; N411-L414 HydrophobicContact CB-CG 4.11Å; N411-L414 WeakPolarHBondContact O-CB 3.39Å; N411-L414 PolarHBondContact O-N 3.46Å; N411-L414 VanDerWaalsContact O-N 3.12Å |
| 412 | P | 43.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 81.3 Ų | 81.3 | 70% | 0.695 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -3.1 | -176 | 30.8 | -36.6 | 0 | 0 | 0 | 114.2 | L408 L414 | L408-P412 WeakPolarHBondContact O-CA 3.23Å; P412-L414 VanDerWaalsContact C-N 3.35Å |
| 413 | N | 40.8 | Very low | 40.6 | Very low | 148 Ų | 148 | 84.2 Ų | 84.2 | 79% | 0.791 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.5 | 171.4 | -63.1 | -41.1 | 0 | 0 | 0 | 112.5 | N411 K415 | N411-N413 PolarHBondContact O-N 3.24Å; N411-N413 VanDerWaalsContact O-N 3.15Å; N411-N413 WeakPolarHBondContact OD1-CB 3.48Å; N411-N413 PolarHBondContact OD1-N 3.34Å; N413-K415 PolarHBondContact O-N 3.07Å |
| 414 | L | 45.6 | Very low | 39.7 | Very low | 87 Ų | 87 | 87 Ų | 87 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -65.3 | 125.9 | 164.8 | -65.7 | 173.3 | 0 | 0 | 0 | 108.1 | A407 L408 N411 P412 | A407-L414 HydrophobicContact CB-CD1 4.44Å; L408-L414 HydrophobicContact CD2-CB 3.82Å; L408-L414 WeakPolarHBondContact CD2-O 3.47Å; N411-L414 HydrophobicContact CB-CD1 4.02Å; N411-L414 HydrophobicContact CB-CG 4.11Å; N411-L414 WeakPolarHBondContact O-CB 3.39Å; N411-L414 PolarHBondContact O-N 3.46Å; N411-L414 VanDerWaalsContact O-N 3.12Å; P412-L414 VanDerWaalsContact C-N 3.35Å |
| 415 | K | 43.9 | Very low | 38.8 | Very low | 168 Ų | 168 | 88.1 Ų | 88.1 | 73% | 0.73 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -71 | 139.8 | 172.9 | -72.1 | -176.5 | 177.2 | -179.8 | 0 | 109.5 | N413 A417 | N413-K415 PolarHBondContact O-N 3.07Å; K415-A417 PolarHBondContact O-N 3.18Å |
| 416 | P | 42 | Very low | 38.4 | Very low | 91 Ų | 91 | 86.5 Ų | 86.5 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 126.7 | 166.3 | 27.6 | -32.8 | 0 | 0 | 0 | 108.3 | L408 T418 | L408-P416 HydrophobicContact CD1-CB 3.93Å; P416-T418 PolarHBondContact O-N 3.28Å; P416-T418 VanDerWaalsContact O-N 3.1Å |
| 417 | A | 39.2 | Very low | 37.6 | Very low | 34 Ų | 34 | 89.7 Ų | 89.7 | 28% | 0.281 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -56 | 117.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | K415 E421 A422 L425 | K415-A417 PolarHBondContact O-N 3.18Å; A417-E421 HydrophobicContact CB-CB 3.73Å; A417-A422 HydrophobicContact CB-CB 4.21Å; A417-L425 HydrophobicContact CB-CD1 4.11Å |
| 418 | T | 35.6 | Very low | 36.7 | Very low | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 162.1 | 174.4 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | P416 A420 E421 A422 | P416-T418 PolarHBondContact O-N 3.28Å; P416-T418 VanDerWaalsContact O-N 3.1Å; T418-A420 CarbonylContact O-C 3.28Å; T418-A420 PolarHBondContact O-N 2.86Å; T418-E421 WeakPolarHBondContact CB-OE2 3.5Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.3Å; T418-E421 PolarHBondContact N-OE2 2.96Å; T418-E421 CarbonylContact O-C 3.6Å; T418-E421 WeakPolarHBondContact O-CA 3.49Å; T418-E421 PolarHBondContact O-N 3.02Å; T418-E421 PolarHBondContact OG1-N 3.44Å; T418-E421 PolarHBondContact OG1-OE2 3.08Å; T418-A422 WeakPolarHBondContact O-CB 3.05Å; T418-A422 PolarHBondContact O-N 3.41Å |
| 419 | C | 33.7 | Very low | 36 | Very low | 95 Ų | 95 | 91 Ų | 91 | 64% | 0.642 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -54.7 | -23.5 | 177.5 | -62.1 | 0 | 0 | 0 | 0 | 113.3 | S423 | C419-S423 WeakPolarHBondContact O-CB 3.4Å; C419-S423 PolarHBondContact O-N 2.96Å; C419-S423 PolarHBondContact O-OG 2.65Å |
| 420 | A | 30.7 | Very low | 35.7 | Very low | 63 Ų | 63 | 87.7 Ų | 87.7 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73 | -44.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T418 S423 Q424 | T418-A420 CarbonylContact O-C 3.28Å; T418-A420 PolarHBondContact O-N 2.86Å; A420-S423 CarbonylContact O-C 3.54Å; A420-S423 PolarHBondContact O-N 3.33Å; A420-Q424 WeakPolarHBondContact O-CB 3.42Å; A420-Q424 VanDerWaalsContact O-CG 3.32Å; A420-Q424 WeakPolarHBondContact O-CG 3.48Å; A420-Q424 PolarHBondContact O-N 3.45Å |
| 421 | E | 34.6 | Very low | 35.2 | Very low | 85 Ų | 85 | 79.9 Ų | 79.9 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -74.5 | -33.8 | 177.1 | -69.2 | 159.3 | 120.8 | 0 | 0 | 112.9 | A417 T418 Q424 L425 | A417-E421 HydrophobicContact CB-CB 3.73Å; T418-E421 WeakPolarHBondContact CB-OE2 3.5Å; T418-E421 WeakPolarHBondContact CG2-OE2 3.3Å; T418-E421 PolarHBondContact N-OE2 2.96Å; T418-E421 CarbonylContact O-C 3.6Å; T418-E421 WeakPolarHBondContact O-CA 3.49Å; T418-E421 PolarHBondContact O-N 3.02Å; T418-E421 PolarHBondContact OG1-N 3.44Å; T418-E421 PolarHBondContact OG1-OE2 3.08Å; E421-Q424 CarbonylContact O-C 3.5Å; E421-Q424 PolarHBondContact O-N 3.24Å; E421-L425 WeakPolarHBondContact O-CB 3.49Å; E421-L425 PolarHBondContact O-N 3.29Å |
| 422 | A | 34.8 | Very low | 34.6 | Very low | 29 Ų | 29 | 81.6 Ų | 81.6 | 24% | 0.24 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -70 | -37.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | A417 T418 Q424 T426 | A417-A422 HydrophobicContact CB-CB 4.21Å; T418-A422 WeakPolarHBondContact O-CB 3.05Å; T418-A422 PolarHBondContact O-N 3.41Å; A422-Q424 VanDerWaalsContact C-N 3.35Å; A422-T426 VanDerWaalsContact O-CB 3.27Å; A422-T426 WeakPolarHBondContact O-CB 3.22Å; A422-T426 PolarHBondContact O-N 3.38Å; A422-T426 PolarHBondContact O-OG1 3.05Å |
| 423 | S | 33.5 | Very low | 34.2 | Very low | 69 Ų | 69 | 84.2 Ų | 84.2 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 165.1 | -66.8 | 0 | 0 | 0 | 0 | 111.9 | C419 A420 T426 V427 | C419-S423 WeakPolarHBondContact O-CB 3.4Å; C419-S423 PolarHBondContact O-N 2.96Å; C419-S423 PolarHBondContact O-OG 2.65Å; A420-S423 CarbonylContact O-C 3.54Å; A420-S423 PolarHBondContact O-N 3.33Å; S423-T426 PolarHBondContact O-N 3.27Å; S423-V427 WeakPolarHBondContact O-CA 3.07Å; S423-V427 WeakPolarHBondContact O-CB 3.47Å; S423-V427 WeakPolarHBondContact O-CG2 3.26Å; S423-V427 PolarHBondContact O-N 3.13Å |
| 424 | Q | 30.9 | Very low | 33.6 | Very low | 128 Ų | 128 | 79.7 Ų | 79.7 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -73.7 | -34 | 176.8 | -78 | 175.1 | -7.2 | 0 | 0 | 113.3 | A420 E421 A422 V427 T428 | A420-Q424 WeakPolarHBondContact O-CB 3.42Å; A420-Q424 VanDerWaalsContact O-CG 3.32Å; A420-Q424 WeakPolarHBondContact O-CG 3.48Å; A420-Q424 PolarHBondContact O-N 3.45Å; E421-Q424 CarbonylContact O-C 3.5Å; E421-Q424 PolarHBondContact O-N 3.24Å; A422-Q424 VanDerWaalsContact C-N 3.35Å; Q424-V427 CarbonylContact O-C 3.57Å; Q424-V427 VanDerWaalsContact O-C 3.23Å; Q424-V427 PolarHBondContact O-N 3.46Å; Q424-T428 WeakPolarHBondContact O-CB 3.32Å; Q424-T428 PolarHBondContact O-N 2.84Å; Q424-T428 PolarHBondContact O-OG1 2.9Å |
| 425 | L | 31.1 | Very low | 32.6 | Very low | 83 Ų | 83 | 81 Ų | 81 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -37.1 | 171.7 | -87.5 | 155.6 | 0 | 0 | 0 | 110.9 | A417 E421 T428 A429 | A417-L425 HydrophobicContact CB-CD1 4.11Å; E421-L425 WeakPolarHBondContact O-CB 3.49Å; E421-L425 PolarHBondContact O-N 3.29Å; L425-T428 PolarHBondContact O-N 3.07Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 3.22Å |
| 426 | T | 34.9 | Very low | 31.7 | Very low | 34 Ų | 34 | 75.9 Ų | 75.9 | 21% | 0.209 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | 171.9 | -53.3 | 0 | 0 | 0 | 0 | 110.8 | E397 A422 S423 T428 Q430 | E397-T426 HydrophobicContact CG-CG2 4.19Å; A422-T426 VanDerWaalsContact O-CB 3.27Å; A422-T426 WeakPolarHBondContact O-CB 3.22Å; A422-T426 PolarHBondContact O-N 3.38Å; A422-T426 PolarHBondContact O-OG1 3.05Å; S423-T426 PolarHBondContact O-N 3.27Å; T426-T428 PolarHBondContact O-N 3.28Å; T426-Q430 HydrophobicContact CG2-CG 4.21Å; T426-Q430 WeakPolarHBondContact O-CA 3.18Å; T426-Q430 WeakPolarHBondContact O-CB 3.11Å; T426-Q430 VanDerWaalsContact O-CG 3.25Å; T426-Q430 WeakPolarHBondContact O-CG 2.97Å; T426-Q430 PolarHBondContact O-N 2.75Å |
| 427 | V | 31 | Very low | 30.9 | Very low | 96 Ų | 96 | 78.4 Ų | 78.4 | 58% | 0.582 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -82.2 | 12.5 | 172.9 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | S423 Q424 S431 | S423-V427 WeakPolarHBondContact O-CA 3.07Å; S423-V427 WeakPolarHBondContact O-CB 3.47Å; S423-V427 WeakPolarHBondContact O-CG2 3.26Å; S423-V427 PolarHBondContact O-N 3.13Å; Q424-V427 CarbonylContact O-C 3.57Å; Q424-V427 VanDerWaalsContact O-C 3.23Å; Q424-V427 PolarHBondContact O-N 3.46Å; V427-S431 WeakPolarHBondContact O-CB 3.46Å; V427-S431 PolarHBondContact O-OG 3.26Å |
| 428 | T | 27.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 80.4 Ų | 80.4 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -113.4 | -44.4 | 164.3 | -57.8 | 0 | 0 | 0 | 0 | 110 | Q424 L425 T426 Q430 S431 N432 | Q424-T428 WeakPolarHBondContact O-CB 3.32Å; Q424-T428 PolarHBondContact O-N 2.84Å; Q424-T428 PolarHBondContact O-OG1 2.9Å; L425-T428 PolarHBondContact O-N 3.07Å; T426-T428 PolarHBondContact O-N 3.28Å; T428-Q430 PolarHBondContact O-N 2.81Å; T428-S431 WeakPolarHBondContact CA-OG 3.49Å; T428-S431 PolarHBondContact O-OG 3.36Å; T428-N432 WeakPolarHBondContact O-CB 3.27Å; T428-N432 PolarHBondContact O-N 2.89Å; T428-N432 VanDerWaalsContact O-N 3.08Å |
| 429 | A | 30 | Very low | 29.8 | Very low | 44 Ų | 44 | 78.9 Ų | 78.9 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.9 | -23 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I400 L425 | I400-A429 HydrophobicContact CD1-CB 4.36Å; L425-A429 VanDerWaalsContact O-CB 3.26Å; L425-A429 WeakPolarHBondContact O-CB 3.34Å; L425-A429 PolarHBondContact O-N 3.22Å |
| 430 | Q | 30.2 | Very low | 29.5 | Very low | 64 Ų | 64 | 79.2 Ų | 79.2 | 30% | 0.299 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | -2 | 177.5 | -55.9 | -179.5 | -1.7 | 0 | 0 | 114.4 | E397 T426 T428 | E397-Q430 VanDerWaalsContact CG-NE2 3.35Å; E397-Q430 PolarHBondContact OE1-NE2 2.86Å; T426-Q430 HydrophobicContact CG2-CG 4.21Å; T426-Q430 WeakPolarHBondContact O-CA 3.18Å; T426-Q430 WeakPolarHBondContact O-CB 3.11Å; T426-Q430 VanDerWaalsContact O-CG 3.25Å; T426-Q430 WeakPolarHBondContact O-CG 2.97Å; T426-Q430 PolarHBondContact O-N 2.75Å; T428-Q430 PolarHBondContact O-N 2.81Å |
| 431 | S | 26.9 | Very low | 29.3 | Very low | 29 Ų | 29 | 81.9 Ų | 81.9 | 20% | 0.203 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -29 | 160.2 | 60.9 | 0 | 0 | 0 | 0 | 111.7 | V427 T428 G434 | V427-S431 WeakPolarHBondContact O-CB 3.46Å; V427-S431 PolarHBondContact O-OG 3.26Å; T428-S431 WeakPolarHBondContact CA-OG 3.49Å; T428-S431 PolarHBondContact O-OG 3.36Å; S431-G434 PolarHBondContact O-N 2.69Å |
| 432 | N | 26.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 84.3 Ų | 84.3 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 10.7 | 173.7 | -74.1 | -39.3 | 0 | 0 | 0 | 115.3 | T428 | T428-N432 WeakPolarHBondContact O-CB 3.27Å; T428-N432 PolarHBondContact O-N 2.89Å; T428-N432 VanDerWaalsContact O-N 3.08Å |
| 433 | L | 34.7 | Very low | 28.7 | Very low | 162 Ų | 162 | 92.4 Ų | 92.4 | 85% | 0.848 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 34.3 | 148.8 | -112.4 | 85.4 | 0 | 0 | 0 | 112.5 | | |
| 434 | G | 27.3 | Very low | 28.2 | Very low | 52 Ų | 52 | 94.6 Ų | 94.6 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 115.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S431 | S431-G434 PolarHBondContact O-N 2.69Š|
| 435 | T | 25.6 | Very low | 28 | Very low | 114 Ų | 114 | 95.4 Ų | 95.4 | 70% | 0.699 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -153.5 | 132.6 | -3.2 | 50.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 436 | T | 25.3 | Very low | 28 | Very low | 61 Ų | 61 | 98.9 Ų | 98.9 | 37% | 0.374 | 56% | 0.555 | S | S | . | * | | | | 171.6 | 124 | 123.2 | 32.1 | 0 | 0 | 0 | 0 | 111 | V1376 | T436-V1376 WeakPolarHBondContact CG2-O 3.28Š|
| 437 | N | 25 | Very low | 28.2 | Very low | 145 Ų | 145 | 104.6 Ų | 104.6 | 78% | 0.775 | 59% | 0.585 | S | S | * | * | | | trans | -86.5 | 114.9 | 174 | -145.6 | -12.3 | 0 | 0 | 0 | 109.1 | | |
| 438 | F | 25.1 | Very low | 28.3 | Very low | 76 Ų | 76 | 106.9 Ų | 106.9 | 33% | 0.333 | 59% | 0.593 | S | S | . | * | | | trans | -124.7 | 79.4 | -171 | -138.7 | -49.2 | 0 | 0 | 0 | 111.7 | I441 L1375 V1376 | F438-I441 HydrophobicContact CE1-CD1 4.2Å; F438-I441 HydrophobicContact CE1-CG1 3.89Å; F438-I441 HydrophobicContact CZ-CD1 4.41Å; F438-L1375 HydrophobicContact CD2-CD2 4.43Å; F438-L1375 HydrophobicContact CE2-CB 3.95Å; F438-L1375 HydrophobicContact CE2-CD2 3.55Å; F438-L1375 HydrophobicContact CE2-CG 3.61Å; F438-L1375 WeakPolarHBondContact CE2-O 3.48Å; F438-L1375 HydrophobicContact CZ-CD2 4.06Å; F438-L1375 HydrophobicContact CZ-CG 4.16Å; F438-V1376 HydrophobicContact CD2-CB 4.44Å; F438-V1376 HydrophobicContact CE1-CB 4.47Å; F438-V1376 HydrophobicContact CE1-CG1 3.96Å; F438-V1376 HydrophobicContact CE2-CB 3.53Å; F438-V1376 HydrophobicContact CE2-CG1 3.89Å; F438-V1376 HydrophobicContact CE2-CG2 4.32Å; F438-V1376 HydrophobicContact CZ-CB 3.54Å; F438-V1376 HydrophobicContact CZ-CG1 3.49Å; F438-V1376 VanDerWaalsContact CZ-CG1 3.49Å; F438-V1376 HydrophobicContact CZ-CG2 4.08Å |
| 439 | G | 25.3 | Very low | 28.4 | Very low | 44 Ų | 44 | 109.4 Ų | 109.4 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | | | trans | -106.2 | 127.7 | 146.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | R1377 | G439-R1377 PolarHBondContact O-NH1 3.22Š|
| 440 | T | 28.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 114 Ų | 114 | 63% | 0.626 | 62% | 0.622 | S | S | * | * | | | cis | -146.7 | 157.2 | 7.2 | 42.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 441 | I | 26.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | | | trans | -115 | 124.4 | 158.4 | -63.4 | 174.1 | 0 | 0 | 0 | 107.3 | F438 | F438-I441 HydrophobicContact CE1-CD1 4.2Å; F438-I441 HydrophobicContact CE1-CG1 3.89Å; F438-I441 HydrophobicContact CZ-CD1 4.41Å |
| 442 | D | 29.1 | Very low | 28.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | | | trans | -128.6 | 132.2 | 136.8 | -88.6 | -52.5 | 0 | 0 | 0 | 104.8 | | |
| 443 | R | 26.5 | Very low | 28.5 | Very low | 199 Ų | 199 | 130.4 Ų | 130.4 | 75% | 0.751 | 69% | 0.686 | S | S | * | * | | | | 63.6 | 121.5 | 64.4 | -67 | 177.7 | 163.4 | -176.8 | -2.3 | 111 | | |
| 444 | C | 23.9 | Very low | 28.3 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 78% | 0.784 | 68% | 0.675 | S | S | * | * | | | cis | -107.4 | -136.7 | 3.6 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 445 | N | 25.5 | Very low | 28.2 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | | | cis | -151.4 | -175.3 | 0.6 | -151.3 | -1.6 | 0 | 0 | 0 | 112.7 | | |
| 446 | K | 32.7 | Very low | 29.1 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | | | trans | -62.2 | 150.4 | -174.3 | -67.8 | 171.8 | 173.5 | -172.4 | 0 | 116.6 | | |
| 447 | N | 38.9 | Very low | 29.1 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | | | trans | -93.2 | 141.3 | 157.1 | -61 | -32.8 | 0 | 0 | 0 | 109.8 | | |
| 448 | D | 33.1 | Very low | 29 | Very low | 143 Ų | 143 | 125.9 Ų | 125.9 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | | | trans | 177.7 | 153.3 | 158.3 | -94 | -38.2 | 0 | 0 | 0 | 107.8 | | |
| 449 | N | 28.8 | Very low | 29 | Very low | 129 Ų | 129 | 127.4 Ų | 127.4 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | | | cis | -162.4 | 168.3 | -37.8 | -135.2 | -45.1 | 0 | 0 | 0 | 109.6 | | |
| 450 | L | 31.6 | Very low | 29.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | | | trans | 58.5 | 107.9 | 162.6 | -94.3 | 60.6 | 0 | 0 | 0 | 122.8 | | |
| 451 | F | 28.6 | Very low | 29.5 | Very low | 199 Ų | 199 | 128.6 Ų | 128.6 | 87% | 0.873 | 68% | 0.682 | S | S | * | * | | | trans | 31.1 | 114.3 | 131.1 | -68.7 | -91 | 0 | 0 | 0 | 123 | | |
| 452 | R | 26 | Very low | 29.6 | Very low | 189 Ų | 189 | 130.2 Ų | 130.2 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | | | | -167.2 | 164.8 | 122.8 | -112.7 | 175.7 | -173.6 | -108.3 | -1.7 | 114 | P457 | R452-P457 WeakPolarHBondContact CD-O 3.47Š|
| 453 | N | 29.6 | Very low | 29.9 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 69% | 0.689 | S | S | * | * | | | trans | -96.9 | 141.9 | 176.5 | -90.8 | -24.9 | 0 | 0 | 0 | 111.8 | | |
| 454 | G | 30.4 | Very low | 30.5 | Very low | 60 Ų | 60 | 124.7 Ų | 124.7 | 62% | 0.619 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 72.2 | 100.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | P457 | G454-P457 WeakPolarHBondContact O-CD 3.14Š|
| 455 | N | 26.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 125.6 Ų | 125.6 | 66% | 0.658 | 68% | 0.682 | S | S | * | * | S | Bend | trans | 60.1 | 173.3 | -165.7 | -63.3 | -26.4 | 0 | 0 | 0 | 112.1 | P457 | N455-P457 VanDerWaalsContact CB-CD 3.48Å; N455-P457 HydrophobicContact CB-CG 4.4Å; N455-P457 WeakPolarHBondContact O-CD 3.35Å |
| 456 | P | 44 | Very low | 31.4 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 58% | 0.578 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -88.8 | 69.3 | 165.5 | 34.4 | -34.7 | 0 | 0 | 0 | 112.7 | T460 | P456-T460 WeakPolarHBondContact O-CA 3.47Å; P456-T460 PolarHBondContact O-N 2.8Å |
| 457 | P | 24.1 | Very low | 31.2 | Very low | 44 Ų | 44 | 120.1 Ų | 120.1 | 29% | 0.286 | 68% | 0.675 | S | S | . | * | | | trans | -122.2 | 137.6 | 147.5 | 37.7 | -29.6 | 0 | 0 | 0 | 111.3 | R452 G454 N455 T460 | R452-P457 WeakPolarHBondContact CD-O 3.47Å; G454-P457 WeakPolarHBondContact O-CD 3.14Å; N455-P457 VanDerWaalsContact CB-CD 3.48Å; N455-P457 HydrophobicContact CB-CG 4.4Å; N455-P457 WeakPolarHBondContact O-CD 3.35Å; P457-T460 WeakPolarHBondContact CA-OG1 3.11Å; P457-T460 HydrophobicContact CB-CG2 3.94Å; P457-T460 WeakPolarHBondContact CB-OG1 3.35Å |
| 458 | I | 23.2 | Very low | 30.6 | Very low | 123 Ų | 123 | 117.6 Ų | 117.6 | 63% | 0.631 | 67% | 0.67 | S | S | * | * | S | Bend | cis | -132.9 | 135.6 | 16.9 | -58.2 | 170.6 | 0 | 0 | 0 | 107.9 | T460 | I458-T460 WeakPolarHBondContact CA-OG1 2.94Š|
| 459 | C | 26.1 | Very low | 30.5 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 73% | 0.73 | 66% | 0.661 | S | S | * | * | S | Bend | cis | -91.7 | 120.8 | -0.4 | -105.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 460 | T | 28.9 | Very low | 30.7 | Very low | 62 Ų | 62 | 113.1 Ų | 113.1 | 38% | 0.38 | 66% | 0.656 | S | S | . | * | | | | 30.5 | 126.5 | 61.7 | 2.4 | 0 | 0 | 0 | 0 | 114.1 | P456 P457 I458 | P456-T460 WeakPolarHBondContact O-CA 3.47Å; P456-T460 PolarHBondContact O-N 2.8Å; P457-T460 WeakPolarHBondContact CA-OG1 3.11Å; P457-T460 HydrophobicContact CB-CG2 3.94Å; P457-T460 WeakPolarHBondContact CB-OG1 3.35Å; I458-T460 WeakPolarHBondContact CA-OG1 2.94Å |
| 461 | T | 36.3 | Very low | 30.5 | Very low | 110 Ų | 110 | 107.8 Ų | 107.8 | 68% | 0.675 | 63% | 0.628 | S | S | * | * | | | trans | 62 | 109.6 | 176.3 | 28.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 462 | I | 27.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 101.4 Ų | 101.4 | 79% | 0.785 | 60% | 0.602 | S | S | * | * | | | cis | 46.9 | 101.8 | 49.1 | -39.7 | 168 | 0 | 0 | 0 | 108.5 | | |
| 463 | P | 35.2 | Very low | 30.6 | Very low | 106 Ų | 106 | 96.5 Ų | 96.5 | 69% | 0.688 | 59% | 0.59 | S | S | * | * | | | cis | -126.3 | -174.6 | 47.9 | 40.9 | -25.7 | 0 | 0 | 0 | 111.3 | | |
| 464 | T | 38.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 97 Ų | 97 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | | | cis | -147.3 | 117.4 | 13.4 | -21.2 | 0 | 0 | 0 | 0 | 105.6 | | |
| 465 | N | 32 | Very low | 30.7 | Very low | 134 Ų | 134 | 97.3 Ų | 97.3 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | | | | 76.8 | 155.8 | 85.1 | -144.2 | 9.7 | 0 | 0 | 0 | 112.9 | | |
| 466 | I | 36 | Very low | 30.9 | Very low | 117 Ų | 117 | 95.7 Ų | 95.7 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | | | trans | 57 | 98.9 | 160.1 | -61.2 | 159.3 | 0 | 0 | 0 | 115.1 | S468 S469 | I466-S468 PolarHBondContact O-N 2.92Å; I466-S469 WeakPolarHBondContact CG2-OG 3.33Å |
| 467 | G | 28.9 | Very low | 30.3 | Very low | 68 Ų | 68 | 93.9 Ų | 93.9 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | | | trans | -60.1 | 132.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | S469 | G467-S469 WeakPolarHBondContact O-CB 3.23Å; G467-S469 PolarHBondContact O-N 3.08Å; G467-S469 PolarHBondContact O-OG 2.75Å |
| 468 | S | 27.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 96.3 Ų | 96.3 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | | | trans | -72.9 | 106 | -174.1 | -55.6 | 0 | 0 | 0 | 0 | 111 | I466 V470 | I466-S468 PolarHBondContact O-N 2.92Å; S468-V470 WeakPolarHBondContact CB-O 2.8Å; S468-V470 PolarHBondContact OG-O 2.64Å |
| 469 | S | 31.5 | Very low | 30.7 | Very low | 83 Ų | 83 | 95.4 Ų | 95.4 | 58% | 0.58 | 60% | 0.601 | S | S | * | * | S | Bend | cis | 22.1 | 80.6 | 31 | 82.8 | 0 | 0 | 0 | 0 | 113.7 | I466 G467 | I466-S469 WeakPolarHBondContact CG2-OG 3.33Å; G467-S469 WeakPolarHBondContact O-CB 3.23Å; G467-S469 PolarHBondContact O-N 3.08Å; G467-S469 PolarHBondContact O-OG 2.75Å |
| 470 | V | 31.6 | Very low | 30.8 | Very low | 95 Ų | 95 | 95.4 Ų | 95.4 | 58% | 0.576 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 64.5 | 113.3 | 176.3 | -66.5 | 0 | 0 | 0 | 0 | 115.6 | S468 | S468-V470 WeakPolarHBondContact CB-O 2.8Å; S468-V470 PolarHBondContact OG-O 2.64Å |
| 471 | I | 28.2 | Very low | 30.6 | Very low | 28 Ų | 28 | 101.7 Ų | 101.7 | 14% | 0.144 | 62% | 0.624 | C | S | . | * | | | cis | -164.3 | 142.3 | -2 | -32.4 | 175.3 | 0 | 0 | 0 | 113 | Q499 Q500 Q501 | I471-Q499 PolarHBondContact O-OE1 3.29Å; I471-Q500 HydrophobicContact CB-CB 4.3Å; I471-Q500 HydrophobicContact CB-CG 4.01Å; I471-Q500 HydrophobicContact CD1-CB 3.65Å; I471-Q500 HydrophobicContact CD1-CG 4.03Å; I471-Q500 VanDerWaalsContact CD1-OE1 3.25Å; I471-Q500 HydrophobicContact CG1-CB 4.29Å; I471-Q500 VanDerWaalsContact CG1-CD 3.41Å; I471-Q500 HydrophobicContact CG1-CG 4.16Å; I471-Q500 VanDerWaalsContact N-NE2 3.13Å; I471-Q500 PolarHBondContact O-NE2 3.24Å; I471-Q500 VanDerWaalsContact O-NE2 3.16Å; I471-Q501 HydrophobicContact CB-CB 4.34Å; I471-Q501 HydrophobicContact CD1-CB 3.52Å; I471-Q501 HydrophobicContact CD1-CG 4.3Å; I471-Q501 HydrophobicContact CG1-CB 4.27Å; I471-Q501 HydrophobicContact CG2-CB 3.36Å; I471-Q501 HydrophobicContact CG2-CG 3.41Å; I471-Q501 VanDerWaalsContact CG2-CG 3.41Å |
| 472 | D | 27.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 100.7 Ų | 100.7 | 34% | 0.342 | 62% | 0.622 | S | S | . | * | | | | 134.6 | 176.5 | 104.8 | -140.5 | 28.3 | 0 | 0 | 0 | 120.2 | Q499 Q500 Q501 | D472-Q499 HydrophobicContact CB-CB 3.47Å; D472-Q499 VanDerWaalsContact CB-CB 3.47Å; D472-Q499 HydrophobicContact CB-CG 3.68Å; D472-Q499 PolarHBondContact O-NE2 3.42Å; D472-Q500 VanDerWaalsContact OD2-CA 3.25Å; D472-Q500 WeakPolarHBondContact OD2-CA 3.19Å; D472-Q500 PolarHBondContact OD2-N 3.49Å; D472-Q501 WeakPolarHBondContact OD1-CA 3.18Å; D472-Q501 PolarHBondContact OD1-N 2.74Å; D472-Q501 PolarHBondContact OD2-N 2.72Å |
| 473 | D | 28.4 | Very low | 30 | Very low | 86 Ų | 86 | 98.1 Ų | 98.1 | 46% | 0.46 | 62% | 0.618 | S | S | . | * | | | trans | 48.2 | 96.6 | 165.3 | -70.4 | -35.5 | 0 | 0 | 0 | 120.3 | Q499 | D473-Q499 HydrophobicContact CB-CG 4.01Å; D473-Q499 VanDerWaalsContact OD2-CA 3.31Å; D473-Q499 WeakPolarHBondContact OD2-CA 3.24Å; D473-Q499 PolarHBondContact OD2-N 3Å; D473-Q499 VanDerWaalsContact OD2-N 3.12Å |
| 474 | L | 30.5 | Very low | 29.4 | Very low | 171 Ų | 171 | 99.6 Ų | 99.6 | 90% | 0.895 | 62% | 0.62 | S | S | * | * | | | | 62.1 | 114 | 127.8 | -79.9 | 143.6 | 0 | 0 | 0 | 121.6 | | |
| 475 | G | 31.9 | Very low | 28.9 | Very low | 65 Ų | 65 | 100.1 Ų | 100.1 | 67% | 0.67 | 62% | 0.623 | S | S | * | * | | | trans | 140 | 122.5 | 152.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 476 | I | 31.5 | Very low | 28.5 | Very low | 89 Ų | 89 | 99.1 Ų | 99.1 | 46% | 0.456 | 63% | 0.627 | S | S | . | * | | | trans | -106 | -140.4 | 179.9 | -44.2 | -176.6 | 0 | 0 | 0 | 110.8 | L1697 S1700 | I476-L1697 HydrophobicContact CD1-CD1 4.38Å; I476-L1697 HydrophobicContact CD1-CD2 3.82Å; I476-S1700 CarbonylContact C-O 3.38Å; I476-S1700 VanDerWaalsContact N-CB 3.29Å; I476-S1700 PolarHBondContact N-OG 2.99Å; I476-S1700 VanDerWaalsContact N-OG 3.08Å |
| 477 | A | 31.2 | Very low | 28 | Very low | 52 Ų | 52 | 99 Ų | 99 | 43% | 0.43 | 64% | 0.636 | S | S | . | * | | | trans | -131.7 | -163.2 | -163.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | S1699 S1700 | A477-S1699 CarbonylContact O-C 3.26Å; A477-S1699 VanDerWaalsContact O-C 3.28Å; A477-S1699 WeakPolarHBondContact O-CA 3.44Å; A477-S1699 VanDerWaalsContact O-CB 3.28Å; A477-S1699 WeakPolarHBondContact O-CB 3.47Å; A477-S1700 CarbonylContact C-O 2.95Å; A477-S1700 WeakPolarHBondContact CA-O 3.08Å; A477-S1700 PolarHBondContact N-O 3.3Å; A477-S1700 CarbonylContact O-C 3.47Å; A477-S1700 WeakPolarHBondContact O-CA 3.48Å; A477-S1700 PolarHBondContact O-N 2.67Å |
| 478 | S | 28.8 | Very low | 28 | Very low | 95 Ų | 95 | 103 Ų | 103 | 66% | 0.664 | 64% | 0.642 | S | S | * | * | | | trans | 83 | -173.8 | 163.2 | -39.2 | 0 | 0 | 0 | 0 | 118.3 | | |
| 479 | S | 26.7 | Very low | 28.2 | Very low | 103 Ų | 103 | 102.5 Ų | 102.5 | 72% | 0.72 | 64% | 0.636 | S | S | * | * | | | | -141.1 | 147.3 | -124.8 | 55.3 | 0 | 0 | 0 | 0 | 118.1 | | |
| 480 | S | 27.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 106.6 Ų | 106.6 | 76% | 0.762 | 64% | 0.639 | S | S | * | * | | | trans | 74.1 | 158.1 | 146.5 | -59.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 481 | F | 25.9 | Very low | 27.7 | Very low | 193 Ų | 193 | 106.6 Ų | 106.6 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | | | trans | 78.7 | 99.7 | 172.1 | -77 | -89.7 | 0 | 0 | 0 | 120.7 | | |
| 482 | S | 25.6 | Very low | 27.9 | Very low | 90 Ų | 90 | 111.4 Ų | 111.4 | 63% | 0.629 | 67% | 0.673 | S | S | * | * | | | | 91 | 116.6 | 128.4 | -63.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 483 | S | 25.8 | Very low | 27.8 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 69% | 0.692 | 68% | 0.676 | S | S | * | * | | | | 103.7 | 132.1 | 127.2 | -79.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 484 | D | 23.3 | Very low | 27.9 | Very low | 137 Ų | 137 | 110 Ų | 110 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | | | trans | 75.1 | 86 | 140.7 | -57.8 | 3.9 | 0 | 0 | 0 | 121.6 | | |
| 485 | T | 26.4 | Very low | 28 | Very low | 123 Ų | 123 | 105.5 Ų | 105.5 | 76% | 0.755 | 65% | 0.653 | S | S | * | * | | | | 58 | 114.4 | 126.9 | 55.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 486 | S | 25.4 | Very low | 28.1 | Very low | 113 Ų | 113 | 109.3 Ų | 109.3 | 79% | 0.79 | 65% | 0.653 | S | S | * | * | | | trans | 91.2 | 159 | 131.6 | 81.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 487 | S | 25.6 | Very low | 28.1 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 80% | 0.797 | 66% | 0.66 | S | S | * | * | | | trans | 78.4 | 79.5 | 176.7 | -46.2 | 0 | 0 | 0 | 0 | 117.1 | | |
| 488 | N | 28.2 | Very low | 28.3 | Very low | 153 Ų | 153 | 114.9 Ų | 114.9 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | | | trans | -52.3 | 163 | 137.1 | -141.3 | 11.8 | 0 | 0 | 0 | 109.1 | | |
| 489 | P | 31.7 | Very low | 28.4 | Very low | 91 Ų | 91 | 113.9 Ų | 113.9 | 59% | 0.591 | 65% | 0.653 | S | S | * | * | | | cis | -144.6 | 176.5 | 11.1 | 45.5 | -27.8 | 0 | 0 | 0 | 117.7 | | |
| 490 | R | 28.1 | Very low | 28.6 | Very low | 169 Ų | 169 | 114.6 Ų | 114.6 | 64% | 0.638 | 65% | 0.645 | S | S | * | * | | | trans | 66.4 | 149.5 | 156 | -74.5 | 172.6 | -176.2 | 178.8 | 2.1 | 116.4 | | |
| 491 | S | 24.9 | Very low | 28.7 | Very low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 63% | 0.63 | S | S | * | * | | | cis | -167.8 | 165.6 | -10.6 | 44.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 492 | V | 30.5 | Very low | 29.2 | Very low | 129 Ų | 129 | 112.7 Ų | 112.7 | 78% | 0.782 | 63% | 0.626 | S | S | * | * | | | trans | 68.2 | 116.8 | 165.8 | -128 | 0 | 0 | 0 | 0 | 118.1 | | |
| 493 | S | 25.8 | Very low | 29.4 | Very low | 58 Ų | 58 | 116.5 Ų | 116.5 | 41% | 0.406 | 63% | 0.634 | S | S | . | * | | | trans | -59.9 | -172.4 | 149.3 | -22.7 | 0 | 0 | 0 | 0 | 111 | S284 | S284-S493 PolarHBondContact OG-OG 3.24Š|
| 494 | P | 31.2 | Very low | 29.9 | Very low | 63 Ų | 63 | 115.4 Ų | 115.4 | 41% | 0.409 | 62% | 0.62 | S | S | . | * | | | cis | -134.9 | 177.1 | 6.8 | 25.6 | 0.6 | 0 | 0 | 0 | 116.7 | N283 S284 T285 | N283-P494 HydrophobicContact CB-CB 4.39Å; S284-P494 WeakPolarHBondContact O-CB 3.06Å; S284-P494 WeakPolarHBondContact O-CG 3.04Å; T285-P494 VanDerWaalsContact O-CG 3.31Å; T285-P494 WeakPolarHBondContact O-CG 3.48Å |
| 495 | T | 31.9 | Very low | 30.3 | Very low | 75 Ų | 75 | 112.7 Ų | 112.7 | 46% | 0.46 | 61% | 0.609 | S | S | . | * | | | trans | -20.6 | 154.9 | 144.4 | 24 | 0 | 0 | 0 | 0 | 116.6 | N283 | N283-T495 PolarHBondContact ND2-OG1 3.03Š|
| 496 | H | 33.3 | Very low | 30.8 | Very low | 146 Ų | 146 | 112.4 Ų | 112.4 | 68% | 0.676 | 60% | 0.597 | S | S | * | * | | | cis | -161.2 | 151.3 | 48.4 | -121.1 | -51.4 | 0 | 0 | 0 | 117.6 | | |
| 497 | H | 32.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 117.3 Ų | 117.3 | 60% | 0.602 | 60% | 0.598 | S | S | * | * | | | trans | 76.5 | 128 | 140.7 | -93.9 | -52.5 | 0 | 0 | 0 | 124.9 | | |
| 498 | H | 33.9 | Very low | 31.5 | Very low | 128 Ų | 128 | 123 Ų | 123 | 59% | 0.593 | 60% | 0.602 | S | S | * | * | | | trans | 69.7 | 114.6 | 150 | -64.7 | -46.4 | 0 | 0 | 0 | 118.2 | | |
| 499 | Q | 32.5 | Very low | 31.6 | Very low | 73 Ų | 73 | 120.4 Ų | 120.4 | 34% | 0.341 | 60% | 0.596 | S | S | . | * | | | | 65.9 | 123.9 | 62.6 | -64.6 | -173.4 | -39.4 | 0 | 0 | 113.2 | I471 D472 D473 | I471-Q499 PolarHBondContact O-OE1 3.29Å; D472-Q499 HydrophobicContact CB-CB 3.47Å; D472-Q499 VanDerWaalsContact CB-CB 3.47Å; D472-Q499 HydrophobicContact CB-CG 3.68Å; D472-Q499 PolarHBondContact O-NE2 3.42Å; D473-Q499 HydrophobicContact CB-CG 4.01Å; D473-Q499 VanDerWaalsContact OD2-CA 3.31Å; D473-Q499 WeakPolarHBondContact OD2-CA 3.24Å; D473-Q499 PolarHBondContact OD2-N 3Å; D473-Q499 VanDerWaalsContact OD2-N 3.12Å |
| 500 | Q | 30.2 | Very low | 31.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | | | | 164.6 | 61.9 | 129.1 | -70.8 | -115.5 | -35.3 | 0 | 0 | 116.6 | I471 D472 | I471-Q500 HydrophobicContact CB-CB 4.3Å; I471-Q500 HydrophobicContact CB-CG 4.01Å; I471-Q500 HydrophobicContact CD1-CB 3.65Å; I471-Q500 HydrophobicContact CD1-CG 4.03Å; I471-Q500 VanDerWaalsContact CD1-OE1 3.25Å; I471-Q500 HydrophobicContact CG1-CB 4.29Å; I471-Q500 VanDerWaalsContact CG1-CD 3.41Å; I471-Q500 HydrophobicContact CG1-CG 4.16Å; I471-Q500 VanDerWaalsContact N-NE2 3.13Å; I471-Q500 PolarHBondContact O-NE2 3.24Å; I471-Q500 VanDerWaalsContact O-NE2 3.16Å; D472-Q500 VanDerWaalsContact OD2-CA 3.25Å; D472-Q500 WeakPolarHBondContact OD2-CA 3.19Å; D472-Q500 PolarHBondContact OD2-N 3.49Å |
| 501 | Q | 30.1 | Very low | 31.6 | Very low | 98 Ų | 98 | 123.3 Ų | 123.3 | 46% | 0.458 | 60% | 0.604 | S | S | . | * | | | trans | 73.7 | 130.2 | 146.1 | -135.1 | -177.7 | 46.8 | 0 | 0 | 122.3 | I471 D472 | I471-Q501 HydrophobicContact CB-CB 4.34Å; I471-Q501 HydrophobicContact CD1-CB 3.52Å; I471-Q501 HydrophobicContact CD1-CG 4.3Å; I471-Q501 HydrophobicContact CG1-CB 4.27Å; I471-Q501 HydrophobicContact CG2-CB 3.36Å; I471-Q501 HydrophobicContact CG2-CG 3.41Å; I471-Q501 VanDerWaalsContact CG2-CG 3.41Å; D472-Q501 WeakPolarHBondContact OD1-CA 3.18Å; D472-Q501 PolarHBondContact OD1-N 2.74Å; D472-Q501 PolarHBondContact OD2-N 2.72Å |
| 502 | Q | 36.4 | Very low | 31.8 | Very low | 164 Ų | 164 | 123.6 Ų | 123.6 | 77% | 0.766 | 61% | 0.606 | S | S | * | * | | | | 179.9 | 162 | 104.9 | -94.5 | -174.6 | 31.3 | 0 | 0 | 112.7 | | |
| 503 | Q | 30.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 61% | 0.611 | S | S | * | * | | | trans | -62.2 | 167.3 | 168.9 | -63.6 | 178.2 | -3.6 | 0 | 0 | 110.5 | | |
| 504 | L | 35.1 | Very low | 31.7 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 39% | 0.393 | 63% | 0.63 | S | S | . | * | | | | 162.5 | 80.3 | 125.5 | -82.3 | 173 | 0 | 0 | 0 | 114.3 | A1720 L1721 | L504-A1720 WeakPolarHBondContact O-CA 3.22Å; L504-A1720 PolarHBondContact O-N 2.91Å; L504-L1721 HydrophobicContact CD1-CD2 4.3Å; L504-L1721 HydrophobicContact CD1-CG 4.49Å; L504-L1721 WeakPolarHBondContact CD2-O 2.84Å |
| 505 | T | 33.2 | Very low | 31.6 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 50% | 0.497 | 64% | 0.64 | S | S | . | * | | | trans | 62 | 113.8 | 138.5 | -41.1 | 0 | 0 | 0 | 0 | 119.4 | K1719 A1720 L1721 | T505-K1719 VanDerWaalsContact CB-O 3.25Å; T505-K1719 WeakPolarHBondContact CB-O 2.98Å; T505-K1719 WeakPolarHBondContact CG2-O 3.42Å; T505-K1719 CarbonylContact O-C 3Å; T505-A1720 PolarHBondContact O-N 3.09Å; T505-L1721 PolarHBondContact OG1-O 3.44Å |
| 506 | K | 35.3 | Very low | 31.7 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 50% | 0.504 | 65% | 0.646 | S | S | . | * | | | | -170.1 | 131.9 | 108.5 | -126.6 | -168.4 | -152.7 | 157.3 | 0 | 116.2 | W1717 S1718 | K506-W1717 WeakPolarHBondContact CB-O 3.25Å; K506-W1717 WeakPolarHBondContact CD-O 2.98Å; K506-S1718 PolarHBondContact NZ-O 2.69Å |
| 507 | R | 31.6 | Very low | 31.6 | Very low | 216 Ų | 216 | 132 Ų | 132 | 82% | 0.815 | 64% | 0.635 | S | S | * | * | | | trans | -2.5 | 143.7 | 144.9 | -63.5 | 178.2 | 163.1 | 179.4 | -5 | 121 | | |
| 508 | R | 34.1 | Very low | 31.6 | Very low | 235 Ų | 235 | 131.5 Ų | 131.5 | 89% | 0.887 | 63% | 0.627 | S | S | * | * | | | trans | 85.2 | 142.7 | 153.7 | -71.9 | -180 | 178.4 | -178.3 | -0.7 | 117.5 | | |
| 509 | S | 31.8 | Very low | 31.5 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 64% | 0.637 | S | S | * | * | | | cis | -171.8 | 134.5 | -25.7 | -109 | 0 | 0 | 0 | 0 | 110.8 | | |
| 510 | R | 31.9 | Very low | 31.4 | Very low | 208 Ų | 208 | 138.3 Ų | 138.3 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | | | trans | 59.3 | 113 | 148.9 | -58.2 | -165 | 78.2 | 157 | 6.6 | 119.4 | | |
| 511 | D | 27.3 | Very low | 31.2 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 61% | 0.61 | 67% | 0.67 | S | S | * | * | | | | 62 | 117.3 | 119.2 | -39.7 | -25.4 | 0 | 0 | 0 | 119.6 | | |
| 512 | S | 28.5 | Very low | 31.3 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | | | trans | 60.3 | 103.1 | 149.1 | 59.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 513 | I | 25.7 | Very low | 31.1 | Very low | 175 Ų | 175 | 134 Ų | 134 | 90% | 0.897 | 68% | 0.682 | S | S | * | * | | | trans | -127.2 | 141.7 | 133 | -65.4 | -174.1 | 0 | 0 | 0 | 108.1 | | |
| 514 | F | 29.3 | Very low | 31.1 | Very low | 181 Ų | 181 | 134 Ų | 134 | 79% | 0.794 | 68% | 0.682 | S | S | * | * | | | trans | -81 | 158.2 | -173.8 | -94.8 | -118.4 | 0 | 0 | 0 | 114.4 | | |
| 515 | N | 29.1 | Very low | 30.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | | | trans | -4 | 114.7 | 141.3 | -167.4 | 25.1 | 0 | 0 | 0 | 116.8 | | |
| 516 | P | 34.4 | Very low | 30.8 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | | | trans | -114.7 | 145 | 173.2 | 37.6 | -28.4 | 0 | 0 | 0 | 114 | | |
| 517 | L | 30.1 | Very low | 30.5 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 45% | 0.445 | 69% | 0.692 | S | S | . | * | | | trans | -125.7 | 157.9 | 166.3 | -69.5 | 171 | 0 | 0 | 0 | 110.5 | M2442 T2443 S2444 | L517-M2442 HydrophobicContact CD1-CE 4.27Å; L517-M2442 HydrophobicContact CD2-CE 3.73Å; L517-M2442 HydrophobicContact CD2-SD 4.4Å; L517-T2443 WeakPolarHBondContact CB-OG1 3.49Å; L517-T2443 HydrophobicContact CD1-CG2 3.87Å; L517-S2444 WeakPolarHBondContact CB-OG 3.41Å |
| 518 | R | 33.4 | Very low | 30.4 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 45% | 0.453 | 68% | 0.679 | S | S | . | * | | | trans | -25.1 | 129.2 | -167.7 | -75.3 | 162.6 | 176.6 | -168.1 | 15.6 | 116.6 | S2441 M2442 T2443 S2444 | R518-S2441 PolarHBondContact NH2-O 3.35Å; R518-M2442 WeakPolarHBondContact CD-O 3.31Å; R518-M2442 PolarHBondContact NE-O 3.15Å; R518-M2442 PolarHBondContact NH2-O 3.32Å; R518-T2443 WeakPolarHBondContact CD-O 3.07Å; R518-S2444 PolarHBondContact N-OG 2.67Å |
| 519 | K | 31.1 | Very low | 30.3 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | | | | 61.9 | 140.9 | 102.3 | -62.1 | -172.4 | 172.1 | -172.4 | 0 | 113.2 | | |
| 520 | I | 29.9 | Very low | 30.3 | Very low | 161 Ų | 161 | 132.4 Ų | 132.4 | 83% | 0.826 | 68% | 0.682 | S | S | * | * | | | cis | -151.1 | 135.9 | 49.1 | -69.7 | 168 | 0 | 0 | 0 | 112.9 | | |
| 521 | S | 27.7 | Very low | 30.1 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | | | trans | 52.5 | 162.4 | 147.9 | -143.5 | 0 | 0 | 0 | 0 | 125 | | |
| 522 | S | 32 | Very low | 30.3 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | 63.8 | 136 | -179.3 | 63.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 523 | G | 30.5 | Very low | 30.4 | Very low | 64 Ų | 64 | 131.7 Ų | 131.7 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | | | cis | 102 | 133.8 | 5.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 524 | H | 32.2 | Very low | 30.9 | Very low | 171 Ų | 171 | 126.9 Ų | 126.9 | 79% | 0.792 | 66% | 0.663 | S | S | * | * | | | cis | -143 | 150 | 10.4 | -102.5 | -111.8 | 0 | 0 | 0 | 109.7 | | |
| 525 | H | 30.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 58% | 0.579 | 66% | 0.658 | S | S | * | * | | | | 51.1 | 144.2 | 94.4 | -65.4 | -80.2 | 0 | 0 | 0 | 116.2 | | |
| 526 | N | 29.1 | Very low | 31.6 | Very low | 74 Ų | 74 | 126.1 Ų | 126.1 | 40% | 0.396 | 65% | 0.652 | S | S | . | * | | | cis | -162.9 | 162.2 | 6.4 | -112.6 | -12.1 | 0 | 0 | 0 | 110.4 | | |
| 527 | F | 30.4 | Very low | 31.4 | Very low | 145 Ų | 145 | 126 Ų | 126 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | | | trans | -176.9 | 88.6 | 147.3 | -97.7 | -65.3 | 0 | 0 | 0 | 109.2 | Q536 | F527-Q536 HydrophobicContact CE2-CG 3.79Å; F527-Q536 HydrophobicContact CZ-CG 3.88Å |
| 528 | N | 28.5 | Very low | 31.4 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 53% | 0.529 | 66% | 0.664 | S | S | . | * | | | | 74.4 | 97.4 | 93.2 | -71 | -4.5 | 0 | 0 | 0 | 116.4 | | |
| 529 | L | 32.2 | Very low | 31.2 | Very low | 156 Ų | 156 | 126.6 Ų | 126.6 | 82% | 0.817 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -142.9 | 143.9 | 132.2 | -153.1 | 74.9 | 0 | 0 | 0 | 108.9 | | |
| 530 | F | 31.8 | Very low | 31.1 | Very low | 187 Ų | 187 | 125.5 Ų | 125.5 | 82% | 0.82 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 58.7 | 82.1 | -174.2 | -75.4 | -80.6 | 0 | 0 | 0 | 116.8 | | |
| 531 | K | 27.3 | Very low | 31.1 | Very low | 205 Ų | 205 | 124 Ų | 124 | 89% | 0.891 | 67% | 0.673 | S | S | * | * | S | Bend | trans | 48.5 | 132.1 | 154.9 | -65.2 | -173.2 | 176 | -174.1 | 0 | 117.1 | | |
| 532 | A | 32.1 | Very low | 31.2 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | | | cis | 166.7 | 134.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 101.6 | | |
| 533 | N | 31.9 | Very low | 31 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 67% | 0.674 | 67% | 0.672 | S | S | * | * | | | cis | -146.7 | 149.3 | 10.4 | -114 | 30.5 | 0 | 0 | 0 | 111.4 | | |
| 534 | D | 36 | Very low | 31 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 40% | 0.396 | 68% | 0.68 | S | S | . | * | | | trans | 87.3 | 129.7 | 132.1 | -63.6 | -6.2 | 0 | 0 | 0 | 124.3 | | |
| 535 | Y | 36.2 | Very low | 31 | Very low | 173 Ų | 173 | 133 Ų | 133 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | | | trans | 47.2 | 109.3 | 158.8 | -57.8 | -64.8 | 0 | 0 | 0 | 119.7 | | |
| 536 | Q | 35.1 | Very low | 30.9 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 51% | 0.509 | 69% | 0.688 | S | S | . | * | | | | 83.6 | 151.1 | 67.9 | -86 | -160 | -24.6 | 0 | 0 | 113.3 | F527 | F527-Q536 HydrophobicContact CE2-CG 3.79Å; F527-Q536 HydrophobicContact CZ-CG 3.88Å |
| 537 | S | 32.1 | Very low | 31 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | | | cis | -163.6 | 173.1 | -25.4 | -161.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 538 | S | 28.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 139.9 Ų | 139.9 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | trans | -91.1 | 174.3 | -178.9 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 539 | T | 28.6 | Very low | 31 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 95.1 | 120.3 | 149.2 | -14.7 | 0 | 0 | 0 | 0 | 119 | | |
| 540 | I | 29.7 | Very low | 30.7 | Very low | 158 Ų | 158 | 140.4 Ų | 140.4 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | | | trans | -148.9 | 137.1 | 158 | -65.4 | -178.3 | 0 | 0 | 0 | 104 | | |
| 541 | D | 30.8 | Very low | 30.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 71% | 0.713 | S | S | * | * | | | cis | -162 | 170.1 | -26.2 | -129.2 | -39.3 | 0 | 0 | 0 | 108.2 | | |
| 542 | R | 29.9 | Very low | 30.3 | Very low | 232 Ų | 232 | 136.6 Ų | 136.6 | 88% | 0.875 | 70% | 0.704 | S | S | * | * | | | trans | -143 | 94.9 | 152.8 | -86.8 | -158.3 | 173.6 | -176.9 | -1.7 | 112.8 | | |
| 543 | L | 26.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 70% | 0.696 | 71% | 0.706 | S | S | * | * | | | trans | 38.3 | 130.4 | 147.6 | -68.3 | 83.5 | 0 | 0 | 0 | 117.3 | | |
| 544 | F | 30 | Very low | 29.9 | Very low | 186 Ų | 186 | 139 Ų | 139 | 82% | 0.816 | 71% | 0.709 | S | S | * | * | | | | -165.4 | 163.5 | 76.6 | -110.2 | -84.1 | 0 | 0 | 0 | 114 | | |
| 545 | S | 32.1 | Very low | 29.6 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 72% | 0.724 | S | S | * | * | | | trans | 69.6 | 91.4 | 156.9 | -62.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 546 | K | 29.4 | Very low | 29.4 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | | | | 30.3 | 121.1 | 116.2 | -58.2 | 177 | 178.1 | -178.6 | 0 | 118.7 | | |
| 547 | Q | 32.3 | Very low | 29.1 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 74% | 0.735 | S | S | * | * | | | | 176 | 105.1 | 109.3 | -93.5 | 178.4 | -26.6 | 0 | 0 | 108.2 | | |
| 548 | T | 31 | Very low | 28.8 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | | | | 67.9 | 110 | 80.4 | 61.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 549 | M | 27.7 | Very low | 28.8 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 87% | 0.872 | 75% | 0.745 | S | S | * | * | | | trans | 68.7 | 159.9 | 148.5 | -61.4 | 175.8 | 86.8 | 0 | 0 | 118.3 | | |
| 550 | S | 25.3 | Very low | 28.9 | Very low | 89 Ų | 89 | 139.5 Ų | 139.5 | 62% | 0.622 | 74% | 0.742 | S | S | * | * | | | cis | -176.6 | 168.3 | -33.8 | -164 | 0 | 0 | 0 | 0 | 107.7 | | |
| 551 | Q | 25.3 | Very low | 28.8 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | 69 | 158.6 | 164.5 | -61.9 | -177.7 | 1.4 | 0 | 0 | 114.9 | | |
| 552 | F | 25.3 | Very low | 28.7 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | | | cis | -158.9 | 179.4 | 5.6 | -136.1 | -164.3 | 0 | 0 | 0 | 112.7 | | |
| 553 | I | 28.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 68% | 0.682 | 73% | 0.727 | S | S | * | * | | | trans | 72 | 107.9 | 151.8 | -76.2 | 163.8 | 0 | 0 | 0 | 116.3 | | |
| 554 | V | 27.7 | Very low | 28.4 | Very low | 120 Ų | 120 | 132.2 Ų | 132.2 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | | 76.3 | 125.5 | 82.9 | 164.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 555 | T | 29.7 | Very low | 28.3 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | | | | -165.7 | 164.4 | 71.2 | -30.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 556 | T | 31.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | trans | 16 | 128.9 | 156.8 | 47.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 557 | A | 27.3 | Very low | 28 | Very low | 82 Ų | 82 | 125.6 Ų | 125.6 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | cis | 87.5 | 141.2 | 40.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 558 | T | 26.4 | Very low | 27.7 | Very low | 129 Ų | 129 | 122.2 Ų | 122.2 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | trans | 66.3 | 147.3 | 163.3 | 48 | 0 | 0 | 0 | 0 | 117.6 | | |
| 559 | T | 29 | Very low | 27.5 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 69% | 0.693 | 72% | 0.721 | S | S | * | * | | | cis | -157.2 | 170.7 | 11.5 | -9.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 560 | T | 30.2 | Very low | 27.5 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | | | trans | 67.1 | 123.3 | 146.4 | 47.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 561 | T | 29.4 | Very low | 27.8 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | | | trans | 69.8 | 146.7 | 130.9 | 62.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 562 | T | 28 | Very low | 28.1 | Very low | 109 Ų | 109 | 118 Ų | 118 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | | | cis | -170.9 | 155 | -10.5 | 25.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 563 | I | 26.6 | Very low | 28.3 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | | | trans | 67.4 | 113.4 | 138.5 | -68 | 166.1 | 0 | 0 | 0 | 120.4 | | |
| 564 | N | 24.4 | Very low | 28.4 | Very low | 139 Ų | 139 | 117.3 Ų | 117.3 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | | | trans | 66.1 | 152.9 | 139.9 | -61.1 | 3.3 | 0 | 0 | 0 | 124.7 | | |
| 565 | T | 27.1 | Very low | 28.5 | Very low | 138 Ų | 138 | 119.4 Ų | 119.4 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | | | trans | 85.5 | 152.3 | 144.3 | 9.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 566 | A | 29.1 | Very low | 28.5 | Very low | 82 Ų | 82 | 118 Ų | 118 | 68% | 0.678 | 73% | 0.728 | S | S | * | * | | | trans | 61 | 121 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 567 | T | 25.4 | Very low | 28.3 | Very low | 122 Ų | 122 | 117.8 Ų | 117.8 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | cis | 70.7 | 138.7 | 48.6 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 568 | T | 26.7 | Very low | 28.4 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 69% | 0.687 | 73% | 0.73 | S | S | * | * | | | trans | 65.1 | 96.5 | 146 | 46.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 569 | T | 26.9 | Very low | 29 | Very low | 121 Ų | 121 | 119 Ų | 119 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | | | | 66.2 | 149.2 | 116.3 | 56.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 570 | T | 27.1 | Very low | 29 | Very low | 130 Ų | 130 | 119.3 Ų | 119.3 | 80% | 0.798 | 72% | 0.723 | S | S | * | * | | | trans | 67.6 | 105.9 | 143.1 | 44.3 | 0 | 0 | 0 | 0 | 122 | | |
| 571 | S | 31.3 | Very low | 29 | Very low | 128 Ų | 128 | 119.1 Ų | 119.1 | 90% | 0.895 | 72% | 0.718 | S | S | * | * | | | | -176.8 | 134.7 | 117.3 | 58.1 | 0 | 0 | 0 | 0 | 110 | | |
| 572 | G | 31.4 | Very low | 29 | Very low | 60 Ų | 60 | 121.9 Ų | 121.9 | 62% | 0.619 | 72% | 0.722 | S | S | * | * | | | cis | 168.6 | 172.2 | -6.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 573 | T | 30.1 | Very low | 29.2 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 80% | 0.804 | 72% | 0.719 | S | S | * | * | | | trans | 60.8 | 140.5 | 157.4 | 55.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 574 | E | 31.6 | Very low | 29.3 | Very low | 147 Ų | 147 | 123 Ų | 123 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | | | cis | -166.8 | 149.1 | 3.6 | -114.6 | 169.4 | -162.4 | 0 | 0 | 112.7 | | |
| 575 | Q | 29.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | | | trans | 59.4 | 155.1 | 143 | -67 | 172.1 | 47.5 | 0 | 0 | 121 | | |
| 576 | S | 28.9 | Very low | 29.6 | Very low | 87 Ų | 87 | 124 Ų | 124 | 61% | 0.608 | 72% | 0.717 | S | S | * | * | | | cis | -168.5 | 134.8 | -4.8 | 143.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 577 | L | 28.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 60% | 0.602 | 73% | 0.725 | S | S | * | * | | | trans | 62.8 | 135.5 | 148.4 | -55.5 | 174.6 | 0 | 0 | 0 | 123.1 | N631 | L577-N631 HydrophobicContact CD2-CB 3.52Š|
| 578 | V | 28.1 | Very low | 29.7 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 85% | 0.848 | 72% | 0.719 | S | S | * | * | | | trans | -153.3 | 130.2 | -179 | -178.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 579 | P | 40 | Very low | 29.7 | Very low | 96 Ų | 96 | 134 Ų | 134 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | | | trans | -122.6 | -169.7 | 162.5 | 29.6 | -8.9 | 0 | 0 | 0 | 112.6 | | |
| 580 | V | 29.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 134 Ų | 134 | 73% | 0.733 | 72% | 0.717 | S | S | * | * | | | cis | -153.7 | 178.9 | 14.9 | -136.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 581 | L | 29.2 | Very low | 30 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 56% | 0.555 | 71% | 0.713 | S | S | * | * | | | trans | -14.5 | 128.1 | 166.8 | -77.6 | 164.6 | 0 | 0 | 0 | 124.9 | | |
| 582 | H | 29.7 | Very low | 30 | Very low | 174 Ų | 174 | 136.1 Ų | 136.1 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | | | | 52.9 | 149.9 | 125.3 | -80.4 | -159.7 | 0 | 0 | 0 | 123.1 | | |
| 583 | S | 31.5 | Very low | 30 | Very low | 88 Ų | 88 | 135.2 Ų | 135.2 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | | | cis | -169.5 | 140.4 | -9.2 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 584 | K | 29.5 | Very low | 30.3 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 78% | 0.783 | 67% | 0.667 | S | S | * | * | | | | 169.3 | 153.2 | 94.9 | -88.9 | -169.8 | 175.9 | -179.7 | 0 | 112.6 | | |
| 585 | Y | 30.5 | Very low | 30.1 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | | | trans | 9.8 | 154.4 | 145.8 | -58.5 | -73.7 | 0 | 0 | 0 | 123.4 | | |
| 586 | S | 27.7 | Very low | 30.3 | Very low | 91 Ų | 91 | 128.6 Ų | 128.6 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | cis | -174.3 | 142.7 | -21.7 | -148.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 587 | W | 26.3 | Very low | 31.2 | Very low | 225 Ų | 225 | 129.4 Ų | 129.4 | 85% | 0.852 | 67% | 0.672 | S | S | * | * | | | trans | 24.7 | 148.5 | 133 | -65.6 | 71.6 | 0 | 0 | 0 | 123.2 | | |
| 588 | N | 29.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 130 Ų | 130 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | | | cis | -164.8 | -144.3 | -17.5 | -148.4 | -23.4 | 0 | 0 | 0 | 113.8 | | |
| 589 | F | 27 | Very low | 31.2 | Very low | 185 Ų | 185 | 129.3 Ų | 129.3 | 81% | 0.811 | 68% | 0.675 | S | S | * | * | | | trans | -104.5 | -169.7 | -148.7 | -118.5 | -104.4 | 0 | 0 | 0 | 120.1 | | |
| 590 | Q | 29.2 | Very low | 30.6 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 57% | 0.565 | 69% | 0.686 | S | S | * | * | | | trans | -97.9 | 171.8 | -168.3 | -49.9 | 173.8 | -56 | 0 | 0 | 117.3 | | |
| 591 | R | 30.3 | Very low | 30.6 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | | | trans | 87 | 174.2 | 134.5 | -114.8 | -171.8 | -74.2 | -147.6 | 1.2 | 120.4 | | |
| 592 | T | 33 | Very low | 30.7 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | | | trans | -152.8 | 175.2 | -177 | 54.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 593 | S | 31.5 | Very low | 30.7 | Very low | 42 Ų | 42 | 130.2 Ų | 130.2 | 29% | 0.294 | 68% | 0.676 | S | S | . | * | | | cis | -169.3 | 175.9 | 0.1 | 23 | 0 | 0 | 0 | 0 | 106.7 | C2439 R2440 S2441 | S593-C2439 WeakPolarHBondContact CB-O 3.01Å; S593-C2439 PolarHBondContact OG-O 3.27Å; S593-R2440 CarbonylContact C-O 3.23Å; S593-R2440 VanDerWaalsContact CB-O 3.31Å; S593-R2440 WeakPolarHBondContact CB-O 3.4Å; S593-R2440 CarbonylContact O-C 3.49Å; S593-R2440 VanDerWaalsContact O-O 3.12Å; S593-R2440 VanDerWaalsContact OG-C 3.26Å; S593-R2440 PolarHBondContact OG-O 3.06Å; S593-S2441 PolarHBondContact O-N 2.79Å; S593-S2441 VanDerWaalsContact O-N 3.08Å |
| 594 | S | 34.6 | Very low | 30.8 | Very low | 55 Ų | 55 | 130.4 Ų | 130.4 | 39% | 0.385 | 67% | 0.67 | S | S | . | * | | | cis | -179.2 | -179.5 | -11.7 | 58.2 | 0 | 0 | 0 | 0 | 107.3 | S2438 C2439 R2440 | S594-S2438 WeakPolarHBondContact CB-O 3.35Å; S594-S2438 PolarHBondContact OG-O 3.04Å; S594-C2439 PolarHBondContact OG-N 2.61Å; S594-C2439 PolarHBondContact OG-O 3.02Å; S594-R2440 PolarHBondContact N-O 2.91Å; S594-R2440 PolarHBondContact OG-N 3.13Å; S594-R2440 PolarHBondContact OG-O 3.49Å |
| 595 | L | 29.2 | Very low | 30.8 | Very low | 136 Ų | 136 | 124.2 Ų | 124.2 | 71% | 0.712 | 65% | 0.649 | S | S | * | * | | | trans | 65.6 | 149.4 | 173 | -65.4 | 172.8 | 0 | 0 | 0 | 116.6 | | |
| 596 | S | 33.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | | | trans | -159.2 | 177.5 | -166.5 | -43.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 597 | P | 46.7 | Very low | 31.1 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 65% | 0.649 | S | S | * | * | | | cis | -116.1 | -154.3 | -13.1 | 33.4 | -12.4 | 0 | 0 | 0 | 110.7 | | |
| 598 | P | 28 | Very low | 31.5 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 83% | 0.825 | 64% | 0.641 | S | S | * | * | | | | -137.8 | 172.4 | 82.8 | 40.1 | -26.8 | 0 | 0 | 0 | 115.1 | | |
| 599 | D | 28.5 | Very low | 31.6 | Very low | 126 Ų | 126 | 117.9 Ų | 117.9 | 67% | 0.674 | 65% | 0.645 | S | S | * | * | | | trans | -95.3 | 151.7 | -174.7 | -56.1 | -82.4 | 0 | 0 | 0 | 115 | I601 | D599-I601 HydrophobicContact CB-CD1 4.08Å; D599-I601 HydrophobicContact CB-CG1 4.39Å |
| 600 | M | 28.5 | Very low | 31.8 | Very low | 176 Ų | 176 | 120.5 Ų | 120.5 | 87% | 0.867 | 65% | 0.651 | S | S | * | * | | | trans | -173.2 | 109.6 | 145.1 | -102.4 | 169.2 | 75 | 0 | 0 | 106.6 | | |
| 601 | I | 28.4 | Very low | 31.8 | Very low | 132 Ų | 132 | 121.2 Ų | 121.2 | 68% | 0.677 | 66% | 0.659 | S | S | * | * | | | | 77.1 | 146.2 | 51 | -50.1 | 160.7 | 0 | 0 | 0 | 111.7 | D599 | D599-I601 HydrophobicContact CB-CD1 4.08Å; D599-I601 HydrophobicContact CB-CG1 4.39Å |
| 602 | V | 31.3 | Very low | 32 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 70% | 0.703 | 66% | 0.661 | S | S | * | * | | | trans | 84.6 | 130.6 | 174.6 | -173.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 603 | N | 31.3 | Very low | 31.9 | Very low | 93 Ų | 93 | 119.1 Ų | 119.1 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | | | cis | -165.5 | 177.2 | -16.4 | -103.5 | 13.8 | 0 | 0 | 0 | 106.8 | S2415 | N603-S2415 PolarHBondContact ND2-O 3.08Å; N603-S2415 VanDerWaalsContact ND2-O 3.17Å; N603-S2415 PolarHBondContact ND2-OG 3.43Å |
| 604 | D | 32.4 | Very low | 31.8 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 49% | 0.492 | 69% | 0.687 | S | S | . | * | | | cis | -145.7 | -161.7 | -2.4 | -140.6 | -55.4 | 0 | 0 | 0 | 111.6 | | |
| 605 | S | 29.6 | Very low | 31.4 | Very low | 50 Ų | 50 | 127.2 Ų | 127.2 | 35% | 0.35 | 71% | 0.708 | S | S | . | * | | | trans | -114 | -157.1 | -160.8 | 54.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 606 | I | 33.1 | Very low | 31.7 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | | | trans | 86.1 | 125.6 | 173.9 | -56 | 172 | 0 | 0 | 0 | 114.5 | | |
| 607 | L | 31.6 | Very low | 31.8 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | | | cis | -160.6 | -171.5 | -8.2 | -148.8 | 61.7 | 0 | 0 | 0 | 111.9 | | |
| 608 | D | 34.8 | Very low | 30.7 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | | | trans | 82.7 | 68.4 | 154.5 | -63.2 | -23.6 | 0 | 0 | 0 | 122.4 | | |
| 609 | S | 30.7 | Very low | 30.5 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 69% | 0.694 | S | S | * | * | | | | 42.6 | 98.7 | 106.8 | -49.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 610 | Y | 32.4 | Very low | 30.3 | Very low | 241 Ų | 241 | 132.1 Ų | 132.1 | 95% | 0.945 | 70% | 0.696 | S | S | * | * | | | trans | -150.6 | 150 | 143.6 | -106.1 | -79.9 | 0 | 0 | 0 | 111.5 | | |
| 611 | N | 28.8 | Very low | 30.2 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | | | trans | -120 | 145.1 | 179.5 | -155 | 17.1 | 0 | 0 | 0 | 107 | | |
| 612 | P | 34.2 | Very low | 30.2 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 69% | 0.691 | S | S | * | * | | | | -150.6 | -159.8 | 68.9 | 41.9 | -20 | 0 | 0 | 0 | 115.6 | | |
| 613 | N | 30.4 | Very low | 30.1 | Very low | 139 Ų | 139 | 132.8 Ų | 132.8 | 74% | 0.743 | 69% | 0.69 | S | S | * | * | | | trans | -69.3 | 150.8 | -164.7 | -68.7 | -34.3 | 0 | 0 | 0 | 118.2 | | |
| 614 | S | 29.2 | Very low | 30.2 | Very low | 111 Ų | 111 | 135 Ų | 135 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | | | trans | 53.7 | 77 | 138.4 | 68.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 615 | L | 27.2 | Very low | 30.3 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | | | trans | -157.9 | 123.8 | 146 | -110.7 | 159.7 | 0 | 0 | 0 | 111.1 | | |
| 616 | S | 35 | Very low | 30.5 | Very low | 113 Ų | 113 | 140.9 Ų | 140.9 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | trans | -149.9 | 100.9 | 164.9 | 156.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 617 | R | 35 | Very low | 30.7 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | S | Bend | cis | -139.8 | 179 | 22.5 | -57.3 | 173.3 | -176.7 | 172 | -0.8 | 110.9 | | |
| 618 | F | 24.2 | Very low | 30.9 | Very low | 152 Ų | 152 | 141 Ų | 141 | 67% | 0.667 | 72% | 0.721 | S | S | * | * | | | trans | 72.6 | 148.2 | 162 | -54.1 | -59.2 | 0 | 0 | 0 | 113.9 | | |
| 619 | D | 24.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 56% | 0.561 | 72% | 0.722 | S | S | * | * | | | cis | -154.7 | 165.3 | -10.9 | -130.1 | -35.3 | 0 | 0 | 0 | 112.6 | | |
| 620 | H | 24.7 | Very low | 30.4 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | | | trans | 65.1 | 177.7 | 151.5 | -68.3 | 8.7 | 0 | 0 | 0 | 113.6 | | |
| 621 | L | 26.3 | Very low | 30.4 | Very low | 142 Ų | 142 | 139.5 Ų | 139.5 | 74% | 0.743 | 71% | 0.709 | S | S | * | * | | | cis | -130.3 | 147.9 | 12.6 | -79.6 | 161 | 0 | 0 | 0 | 114.3 | | |
| 622 | H | 28.5 | Very low | 30.3 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | | | trans | 88 | 143.4 | 141 | -97.6 | -125.4 | 0 | 0 | 0 | 121.7 | | |
| 623 | E | 28.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 139 Ų | 139 | 69% | 0.692 | 71% | 0.707 | S | S | * | * | | | trans | 61.6 | 99.1 | 156.8 | -76.4 | 159.4 | -124.7 | 0 | 0 | 115.8 | | |
| 624 | N | 33 | Very low | 30.8 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | | | cis | -155 | 157.6 | 32.8 | -91.8 | -64 | 0 | 0 | 0 | 115.7 | | |
| 625 | S | 34.4 | Very low | 31.1 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 69% | 0.692 | S | S | * | * | | | trans | 57.5 | 126.7 | 136 | 175.5 | 0 | 0 | 0 | 0 | 119 | | |
| 626 | F | 34.5 | Very low | 31.3 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 73% | 0.732 | 69% | 0.694 | S | S | * | * | | | cis | -177.3 | 146.3 | -6.4 | -122.7 | -61.4 | 0 | 0 | 0 | 105.8 | | |
| 627 | K | 35.7 | Very low | 31.2 | Very low | 153 Ų | 153 | 127.2 Ų | 127.2 | 67% | 0.665 | 69% | 0.692 | S | S | * | * | | | trans | 58.9 | 176.8 | 157.9 | -72.3 | 146.5 | 160.7 | -92.5 | 0 | 115.1 | | |
| 628 | E | 37 | Very low | 31 | Very low | 126 Ų | 126 | 125 Ų | 125 | 59% | 0.589 | 70% | 0.698 | S | S | * | * | | | cis | -124.8 | 126.7 | -17 | -130.4 | 117.9 | -137.9 | 0 | 0 | 105.7 | | |
| 629 | Q | 30.3 | Very low | 31.1 | Very low | 153 Ų | 153 | 122.7 Ų | 122.7 | 72% | 0.715 | 70% | 0.701 | S | S | * | * | | | | 51.5 | 103.2 | 98 | -60.9 | -168.4 | -27.6 | 0 | 0 | 113.6 | | |
| 630 | F | 23.3 | Very low | 31.2 | Very low | 177 Ų | 177 | 123.4 Ų | 123.4 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | | | | 70.4 | 99.8 | 93.4 | -89 | -74.9 | 0 | 0 | 0 | 114.3 | | |
| 631 | N | 32.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | | | trans | -166.8 | 110.2 | 141.1 | -94.1 | -40.1 | 0 | 0 | 0 | 106.4 | L577 | L577-N631 HydrophobicContact CD2-CB 3.52Š|
| 632 | L | 28.4 | Very low | 31.1 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | | | | 90.2 | 135 | 53.1 | -76.2 | 172.5 | 0 | 0 | 0 | 113.5 | | |
| 633 | S | 36 | Very low | 30.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | trans | 62 | 134.6 | -175.7 | 74.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 634 | G | 38.3 | Very low | 30.8 | Very low | 51 Ų | 51 | 117.1 Ų | 117.1 | 53% | 0.526 | 72% | 0.716 | S | S | . | * | | | cis | 175 | 153.2 | -9.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 635 | G | 34.3 | Very low | 31 | Very low | 66 Ų | 66 | 114.7 Ų | 114.7 | 68% | 0.68 | 70% | 0.703 | S | S | * | * | | | cis | 157 | 155.2 | 3.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 636 | G | 32.9 | Very low | 30.7 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | | | cis | 170.5 | 166.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 637 | G | 32.9 | Very low | 30.4 | Very low | 71 Ų | 71 | 109.3 Ų | 109.3 | 73% | 0.732 | 69% | 0.692 | S | S | * | * | | | cis | -132.5 | -138.6 | -16.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 638 | V | 30.4 | Very low | 30 | Very low | 137 Ų | 137 | 106 Ų | 106 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | | | cis | -155.5 | 125.6 | 0.2 | 171.9 | 0 | 0 | 0 | 0 | 104 | | |
| 639 | S | 25.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 102.6 Ų | 102.6 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | | | cis | 88.8 | 146.4 | 22.2 | -155.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 640 | V | 26.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 101.2 Ų | 101.2 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | | | trans | 67.6 | 116.5 | -176.8 | -169.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 641 | V | 24.8 | Very low | 30.3 | Very low | 132 Ų | 132 | 97 Ų | 97 | 80% | 0.8 | 66% | 0.656 | S | S | * | * | | | cis | 80.2 | 105.2 | 3.8 | -166.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 642 | A | 24.2 | Very low | 30.7 | Very low | 85 Ų | 85 | 99.5 Ų | 99.5 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | | | trans | 63.6 | 162.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 643 | T | 24.8 | Very low | 31.5 | Very low | 133 Ų | 133 | 101.2 Ų | 101.2 | 82% | 0.816 | 68% | 0.677 | S | S | * | * | | | cis | -157.3 | 160.8 | 40 | -55.9 | 0 | 0 | 0 | 0 | 112.4 | I645 | T643-I645 PolarHBondContact O-N 3.4Š|
| 644 | T | 26.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 99.6 Ų | 99.6 | 66% | 0.663 | 66% | 0.658 | S | S | * | * | | | trans | -77.8 | 101.5 | -178.1 | -48.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 645 | I | 37.8 | Very low | 30.4 | Very low | 90 Ų | 90 | 104.2 Ų | 104.2 | 46% | 0.462 | 67% | 0.665 | S | S | . | * | | | trans | 58.7 | 127.7 | 138 | -40 | 166.2 | 0 | 0 | 0 | 119.4 | T643 N657 N658 | T643-I645 PolarHBondContact O-N 3.4Å; I645-N657 HydrophobicContact CG2-CB 4.4Å; I645-N657 VanDerWaalsContact CG2-CG 3.4Å; I645-N657 WeakPolarHBondContact CG2-OD1 3.41Å; I645-N658 VanDerWaalsContact CG2-CA 3.5Å; I645-N658 HydrophobicContact CG2-CB 4.4Å; I645-N658 PolarHBondContact O-OD1 3.43Å |
| 646 | G | 28.9 | Very low | 30 | Very low | 65 Ų | 65 | 103.2 Ų | 103.2 | 67% | 0.67 | 66% | 0.655 | S | S | * | * | | | trans | -149.7 | 137.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | N657 | G646-N657 WeakPolarHBondContact CA-ND2 3.43Å; G646-N657 WeakPolarHBondContact CA-OD1 3.39Å; G646-N657 PolarHBondContact N-ND2 2.73Å; G646-N657 PolarHBondContact N-OD1 3.23Å; G646-N657 PolarHBondContact O-OD1 2.97Å |
| 647 | V | 28.4 | Very low | 29.7 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 52% | 0.521 | 63% | 0.63 | S | S | . | * | | | trans | -84.3 | 163 | -150.6 | -146.3 | 0 | 0 | 0 | 0 | 117.6 | N657 | V647-N657 VanDerWaalsContact CA-CG 3.41Å; V647-N657 HydrophobicContact CB-CB 3.86Å; V647-N657 HydrophobicContact CG1-CB 3.5Å; V647-N657 VanDerWaalsContact CG1-CB 3.5Å; V647-N657 HydrophobicContact CG2-CB 4.14Å; V647-N657 WeakPolarHBondContact CG2-ND2 3.42Å; V647-N657 PolarHBondContact N-ND2 3.45Å |
| 648 | T | 26.8 | Very low | 29.3 | Very low | 83 Ų | 83 | 103 Ų | 103 | 51% | 0.509 | 62% | 0.617 | S | S | . | * | | | trans | 69.1 | 105 | 145.9 | 35.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 649 | T | 29.3 | Very low | 29.1 | Very low | 56 Ų | 56 | 100.5 Ų | 100.5 | 34% | 0.344 | 61% | 0.606 | S | S | . | * | | | | 60.5 | 109.6 | 117.9 | 65.9 | 0 | 0 | 0 | 0 | 121.4 | Q654 E655 | T649-Q654 HydrophobicContact CG2-CB 4.48Å; T649-Q654 HydrophobicContact CG2-CG 3.33Å; T649-E655 HydrophobicContact CG2-CB 3.62Å; T649-E655 HydrophobicContact CG2-CG 3.45Å; T649-E655 VanDerWaalsContact CG2-CG 3.45Å; T649-E655 WeakPolarHBondContact CG2-OE1 2.91Å |
| 650 | N | 31.7 | Very low | 29.6 | Very low | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 61% | 0.606 | S | S | * | * | | | | -140.5 | 156.5 | 106.4 | -153.5 | -8.9 | 0 | 0 | 0 | 110.5 | I653 Q654 | N650-I653 CarbonylContact O-C 3.27Å; N650-I653 VanDerWaalsContact O-O 3.09Å; N650-Q654 PolarHBondContact OD1-NE2 3.27Å |
| 651 | N | 34.9 | Very low | 29.6 | Very low | 89 Ų | 89 | 102.3 Ų | 102.3 | 48% | 0.476 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.5 | 147.6 | 162.4 | -100.6 | -37.8 | 0 | 0 | 0 | 107.7 | I653 Q654 | N651-I653 VanDerWaalsContact OD1-CA 3.25Å; N651-I653 WeakPolarHBondContact OD1-CA 3.26Å; N651-I653 PolarHBondContact OD1-N 2.92Å; N651-Q654 HydrophobicContact CB-CB 4.21Å; N651-Q654 PolarHBondContact ND2-OE1 2.97Å; N651-Q654 PolarHBondContact OD1-N 2.87Å |
| 652 | N | 41.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 103.6 Ų | 103.6 | 86% | 0.861 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -94.2 | -4.9 | 43.3 | -56.5 | 101.1 | 0 | 0 | 0 | 118.2 | | |
| 653 | I | 45.2 | Very low | 29.6 | Very low | 168 Ų | 168 | 105.9 Ų | 105.9 | 86% | 0.862 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -139.3 | 127 | 149 | -52.9 | -178.4 | 0 | 0 | 0 | 108.7 | N650 N651 | N650-I653 CarbonylContact O-C 3.27Å; N650-I653 VanDerWaalsContact O-O 3.09Å; N651-I653 VanDerWaalsContact OD1-CA 3.25Å; N651-I653 WeakPolarHBondContact OD1-CA 3.26Å; N651-I653 PolarHBondContact OD1-N 2.92Å |
| 654 | Q | 24.1 | Very low | 29.6 | Very low | 78 Ų | 78 | 106 Ų | 106 | 36% | 0.364 | 60% | 0.599 | S | S | . | * | | | trans | -115 | 144.5 | -156.4 | -164.8 | 150.1 | 5 | 0 | 0 | 112 | T649 N650 N651 | T649-Q654 HydrophobicContact CG2-CB 4.48Å; T649-Q654 HydrophobicContact CG2-CG 3.33Å; N650-Q654 PolarHBondContact OD1-NE2 3.27Å; N651-Q654 HydrophobicContact CB-CB 4.21Å; N651-Q654 PolarHBondContact ND2-OE1 2.97Å; N651-Q654 PolarHBondContact OD1-N 2.87Å |
| 655 | E | 25.9 | Very low | 29.6 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | | | trans | 79 | 157.2 | 166.9 | -130 | 134.9 | -139.9 | 0 | 0 | 117.2 | T649 | T649-E655 HydrophobicContact CG2-CB 3.62Å; T649-E655 HydrophobicContact CG2-CG 3.45Å; T649-E655 VanDerWaalsContact CG2-CG 3.45Å; T649-E655 WeakPolarHBondContact CG2-OE1 2.91Å |
| 656 | G | 27 | Very low | 29.2 | Very low | 45 Ų | 45 | 107.7 Ų | 107.7 | 46% | 0.464 | 61% | 0.612 | S | S | . | * | | | cis | 162.6 | 60.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 657 | N | 25.8 | Very low | 29 | Very low | 63 Ų | 63 | 111.3 Ų | 111.3 | 34% | 0.337 | 62% | 0.616 | S | S | . | * | | | trans | 81.5 | 154.8 | 136 | -130.8 | 49.7 | 0 | 0 | 0 | 126.6 | I645 G646 V647 | I645-N657 HydrophobicContact CG2-CB 4.4Å; I645-N657 VanDerWaalsContact CG2-CG 3.4Å; I645-N657 WeakPolarHBondContact CG2-OD1 3.41Å; G646-N657 WeakPolarHBondContact CA-ND2 3.43Å; G646-N657 WeakPolarHBondContact CA-OD1 3.39Å; G646-N657 PolarHBondContact N-ND2 2.73Å; G646-N657 PolarHBondContact N-OD1 3.23Å; G646-N657 PolarHBondContact O-OD1 2.97Å; V647-N657 VanDerWaalsContact CA-CG 3.41Å; V647-N657 HydrophobicContact CB-CB 3.86Å; V647-N657 HydrophobicContact CG1-CB 3.5Å; V647-N657 VanDerWaalsContact CG1-CB 3.5Å; V647-N657 HydrophobicContact CG2-CB 4.14Å; V647-N657 WeakPolarHBondContact CG2-ND2 3.42Å; V647-N657 PolarHBondContact N-ND2 3.45Å |
| 658 | N | 25.6 | Very low | 29.5 | Very low | 87 Ų | 87 | 113.8 Ų | 113.8 | 47% | 0.465 | 63% | 0.626 | S | S | . | * | | | trans | 82.4 | 153.6 | 145.3 | -107.5 | -2.9 | 0 | 0 | 0 | 122.3 | I645 | I645-N658 VanDerWaalsContact CG2-CA 3.5Å; I645-N658 HydrophobicContact CG2-CB 4.4Å; I645-N658 PolarHBondContact O-OD1 3.43Å |
| 659 | S | 25 | Very low | 29.6 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 59% | 0.594 | 64% | 0.641 | S | S | * | * | | | trans | 76.5 | 151.2 | 165.8 | -43.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 660 | P | 37.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 121.5 Ų | 121.5 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | | | trans | -77.7 | -179 | 149.6 | 37.4 | -34.6 | 0 | 0 | 0 | 110.3 | | |
| 661 | I | 24.9 | Very low | 29.5 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 77% | 0.769 | 66% | 0.658 | S | S | * | * | | | trans | 116 | 111.7 | 171 | -65.4 | 167 | 0 | 0 | 0 | 113.3 | | |
| 662 | E | 25.3 | Very low | 29.4 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | | | trans | 49.7 | 119.2 | 143.5 | -63.3 | -173.8 | 159.6 | 0 | 0 | 123.5 | | |
| 663 | I | 25.5 | Very low | 28.9 | Very low | 133 Ų | 133 | 123.4 Ų | 123.4 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | | | | 75.3 | 126.9 | 118.7 | -63.1 | 173.4 | 0 | 0 | 0 | 119.9 | | |
| 664 | L | 24.4 | Very low | 28.2 | Very low | 137 Ų | 137 | 120.1 Ų | 120.1 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | | | trans | 70.5 | 118.8 | 158.3 | -73.8 | 166.2 | 0 | 0 | 0 | 120.7 | | |
| 665 | N | 26.2 | Very low | 28.5 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 75% | 0.754 | 68% | 0.683 | S | S | * | * | | | | 52.3 | 139.2 | 121.9 | -66.5 | 13.2 | 0 | 0 | 0 | 121.2 | | |
| 666 | S | 28.7 | Very low | 28.4 | Very low | 92 Ų | 92 | 119.1 Ų | 119.1 | 64% | 0.643 | 69% | 0.685 | S | S | * | * | | | cis | -179.7 | 173.9 | 2.5 | 46 | 0 | 0 | 0 | 0 | 112.7 | | |
| 667 | L | 25.5 | Very low | 28.3 | Very low | 141 Ų | 141 | 125 Ų | 125 | 74% | 0.738 | 70% | 0.699 | S | S | * | * | | | trans | 80 | 90.2 | 151.6 | -74.6 | 155.3 | 0 | 0 | 0 | 120.3 | | |
| 668 | D | 39.2 | Very low | 28.3 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | | | | 43 | 131.8 | 117.2 | -51.2 | -16.3 | 0 | 0 | 0 | 122.7 | | |
| 669 | K | 29.1 | Very low | 28.5 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | | 179 | 128.6 | 125.3 | -103.8 | 158.9 | -174 | 170.9 | 0 | 116.4 | | |
| 670 | T | 26.4 | Very low | 28.5 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 69% | 0.687 | 74% | 0.737 | S | S | * | * | | | trans | 54.1 | 154.5 | 140.6 | 52.2 | 0 | 0 | 0 | 0 | 120.6 | | |
| 671 | S | 32.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | | | cis | -176.6 | 166.9 | 2.6 | 38.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 672 | H | 32 | Very low | 28.4 | Very low | 155 Ų | 155 | 129.9 Ų | 129.9 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | | | cis | -173.9 | -167.8 | -24 | -83.4 | -37.6 | 0 | 0 | 0 | 107.1 | | |
| 673 | N | 31 | Very low | 28.9 | Very low | 163 Ų | 163 | 126.4 Ų | 126.4 | 87% | 0.872 | 73% | 0.729 | S | S | * | * | | | trans | 78.1 | 135.7 | 168.7 | -60.3 | -6.1 | 0 | 0 | 0 | 118 | | |
| 674 | A | 31.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 124 Ų | 124 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | | | cis | -157.2 | 157.9 | -12.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 675 | G | 30.1 | Very low | 29.4 | Very low | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 70% | 0.697 | S | S | * | * | | | cis | -144.1 | -171.8 | -5.1 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 676 | D | 24.6 | Very low | 29.5 | Very low | 137 Ų | 137 | 117 Ų | 117 | 73% | 0.733 | 68% | 0.683 | S | S | * | * | | | cis | -155.6 | 154.9 | 10.2 | -123.7 | 2.5 | 0 | 0 | 0 | 112.6 | | |
| 677 | F | 23.3 | Very low | 29.4 | Very low | 170 Ų | 170 | 117 Ų | 117 | 75% | 0.746 | 68% | 0.683 | S | S | * | * | | | trans | 45.2 | 114.7 | 160.6 | -70.1 | -76.5 | 0 | 0 | 0 | 124.2 | | |
| 678 | S | 26.7 | Very low | 29.5 | Very low | 96 Ų | 96 | 112.7 Ų | 112.7 | 67% | 0.671 | 66% | 0.66 | S | S | * | * | | | | 88.5 | 145 | 116.1 | 74.8 | 0 | 0 | 0 | 0 | 124.5 | | |
| 679 | T | 28.8 | Very low | 28.9 | Very low | 119 Ų | 119 | 108.8 Ų | 108.8 | 73% | 0.73 | 64% | 0.644 | S | S | * | * | | | trans | 64.2 | 129.4 | 148 | 44 | 0 | 0 | 0 | 0 | 120 | | |
| 680 | V | 26.6 | Very low | 28.8 | Very low | 131 Ų | 131 | 106.6 Ų | 106.6 | 79% | 0.794 | 64% | 0.641 | S | S | * | * | | | | 65.8 | 117.4 | 63.6 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 681 | S | 31.4 | Very low | 28.8 | Very low | 101 Ų | 101 | 105.8 Ų | 105.8 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | | | cis | -134.3 | 177.2 | 14.3 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 682 | N | 27.1 | Very low | 28.6 | Very low | 153 Ų | 153 | 107.9 Ų | 107.9 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | | | | 53.2 | 145.6 | 50.3 | -114.3 | 15.7 | 0 | 0 | 0 | 114.8 | | |
| 683 | P | 36.5 | Very low | 28.3 | Very low | 85 Ų | 85 | 107 Ų | 107 | 55% | 0.552 | 64% | 0.644 | S | S | * | * | | | cis | -135.7 | -171.2 | -15.7 | 42.4 | -24.8 | 0 | 0 | 0 | 114.3 | | |
| 684 | D | 30.2 | Very low | 28 | Very low | 82 Ų | 82 | 105.4 Ų | 105.4 | 44% | 0.439 | 64% | 0.636 | S | S | . | * | | | trans | 72.3 | 149.7 | 146.2 | -67.5 | -14.7 | 0 | 0 | 0 | 121.6 | W709 | D684-W709 VanDerWaalsContact C-CH2 3.47Å; D684-W709 HydrophobicContact CB-CD2 4.05Å; D684-W709 HydrophobicContact CB-CE3 3.57Å; D684-W709 HydrophobicContact CB-CH2 4.15Å; D684-W709 HydrophobicContact CB-CZ3 3.61Å; D684-W709 VanDerWaalsContact O-CH2 3.27Å; D684-W709 WeakPolarHBondContact O-CH2 3.47Å |
| 685 | Q | 29.8 | Very low | 27.6 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 29% | 0.294 | 63% | 0.633 | S | S | . | * | | | cis | -160.7 | 150.1 | -24.4 | -124.4 | 171.4 | 58.8 | 0 | 0 | 112.2 | W709 | Q685-W709 VanDerWaalsContact CB-CD1 3.49Å; Q685-W709 HydrophobicContact CB-CD2 3.8Å; Q685-W709 HydrophobicContact CB-CG 3.76Å; Q685-W709 HydrophobicContact CB-CZ2 4.21Å; Q685-W709 PolarHBondContact O-NE1 3.43Å; Q685-W709 VanDerWaalsContact O-NE1 3.15Å |
| 686 | S | 27.9 | Very low | 27.4 | Very low | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 64% | 0.639 | S | S | . | * | | | trans | -80.6 | 174.3 | 168.4 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | V729 | S686-V729 WeakPolarHBondContact OG-CG1 3.36Š|
| 687 | S | 27.1 | Very low | 27.8 | Very low | 92 Ų | 92 | 110 Ų | 110 | 64% | 0.643 | 64% | 0.637 | S | S | * | * | | | trans | 179.6 | 153.8 | 141.7 | 34 | 0 | 0 | 0 | 0 | 115.2 | | |
| 688 | M | 27.2 | Very low | 28 | Very low | 51 Ų | 51 | 109.5 Ų | 109.5 | 25% | 0.251 | 64% | 0.641 | S | S | . | * | | | trans | -116 | 148 | -148.7 | 177 | 173.4 | 77.8 | 0 | 0 | 117.8 | L728 V729 D730 | M688-L728 HydrophobicContact CB-CB 4.23Å; M688-L728 HydrophobicContact CB-CD2 4.12Å; M688-L728 HydrophobicContact CE-CB 4.36Å; M688-L728 HydrophobicContact CE-CD2 3.32Å; M688-L728 HydrophobicContact CE-CG 4.39Å; M688-L728 HydrophobicContact CG-CD2 4.06Å; M688-L728 WeakPolarHBondContact O-CD1 3.37Å; M688-L728 HydrophobicContact SD-CD2 4.48Å; M688-V729 VanDerWaalsContact SD-CA 3.55Å; M688-D730 WeakPolarHBondContact CA-OD1 3.42Å; M688-D730 HydrophobicContact CB-CB 4.45Å; M688-D730 VanDerWaalsContact CB-OD1 3.32Å; M688-D730 WeakPolarHBondContact CB-OD1 3.46Å; M688-D730 WeakPolarHBondContact SD-CA 3.42Å; M688-D730 PolarHBondContact SD-N 3.03Å |
| 689 | S | 28.1 | Very low | 27.8 | Very low | 56 Ų | 56 | 111.4 Ų | 111.4 | 39% | 0.392 | 65% | 0.648 | S | S | . | * | | | trans | 37 | 154.9 | 142.8 | 91.1 | 0 | 0 | 0 | 0 | 128 | | |
| 690 | N | 26.1 | Very low | 27.8 | Very low | 142 Ų | 142 | 110.7 Ų | 110.7 | 76% | 0.759 | 65% | 0.648 | S | S | * | * | | | trans | 80 | 136.4 | 130 | -83.9 | -38.4 | 0 | 0 | 0 | 126 | | |
| 691 | S | 27.6 | Very low | 27.8 | Very low | 95 Ų | 95 | 109.3 Ų | 109.3 | 66% | 0.664 | 65% | 0.645 | S | S | * | * | | | trans | 91.2 | 93.5 | 137.3 | -161.9 | 0 | 0 | 0 | 0 | 122 | | |
| 692 | N | 26.4 | Very low | 27.5 | Very low | 141 Ų | 141 | 112 Ų | 112 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | | | trans | 70.2 | 126.2 | 130.2 | -69.6 | -17.4 | 0 | 0 | 0 | 124.3 | | |
| 693 | N | 26.3 | Very low | 27.4 | Very low | 136 Ų | 136 | 110.3 Ų | 110.3 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | | | trans | 84.2 | 124.9 | 136.7 | -76.5 | -2.7 | 0 | 0 | 0 | 123.4 | | |
| 694 | N | 24.8 | Very low | 26.8 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | | | trans | 80.6 | 119.1 | 146.1 | -67.3 | -6.9 | 0 | 0 | 0 | 121.2 | | |
| 695 | N | 23.8 | Very low | 26.5 | Very low | 140 Ų | 140 | 113 Ų | 113 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | | | trans | 72.2 | 110 | 145.5 | -59.4 | -18 | 0 | 0 | 0 | 119.5 | | |
| 696 | N | 25.9 | Very low | 26.3 | Very low | 155 Ų | 155 | 115.2 Ų | 115.2 | 83% | 0.829 | 70% | 0.696 | S | S | * | * | | | | 39 | 148.1 | 117.4 | -81.7 | -0.3 | 0 | 0 | 0 | 121.2 | | |
| 697 | P | 32.2 | Very low | 27 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 68% | 0.682 | 71% | 0.711 | S | S | * | * | | | cis | -135.2 | -153.7 | 8.4 | 37.6 | -15.8 | 0 | 0 | 0 | 113.1 | | |
| 698 | L | 26.6 | Very low | 26.8 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | trans | 74.3 | 104.1 | 159.4 | -73.3 | 164 | 0 | 0 | 0 | 118.7 | | |
| 699 | T | 24.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | | | trans | -59 | 124.3 | 158.3 | 47.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 700 | S | 27.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | -162.2 | 119 | 130.8 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 701 | S | 26.2 | Very low | 26.9 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | | | trans | 41.6 | 92.7 | 151.4 | 54.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 702 | I | 25 | Very low | 26.9 | Very low | 156 Ų | 156 | 125.9 Ų | 125.9 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | | 58.8 | 114.5 | 106.8 | -64.8 | 162.4 | 0 | 0 | 0 | 118.3 | | |
| 703 | C | 25.3 | Very low | 27.2 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | | | trans | 48.3 | 150.1 | 138.2 | -57.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 704 | S | 23.8 | Very low | 27.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | cis | -170.9 | 153.3 | -14.1 | 46.8 | 0 | 0 | 0 | 0 | 105.7 | | |
| 705 | C | 24.9 | Very low | 27.7 | Very low | 120 Ų | 120 | 125.7 Ų | 125.7 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | | | | -160.7 | 169.1 | 60.3 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 706 | S | 25.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 126 Ų | 126 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | trans | -70.8 | -171.1 | 168.6 | -36.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 707 | P | 41.5 | Very low | 28 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | | -130.7 | 171.4 | -53.7 | 32.9 | -16 | 0 | 0 | 0 | 112.4 | | |
| 708 | L | 24.7 | Very low | 27.7 | Very low | 172 Ų | 172 | 125.1 Ų | 125.1 | 90% | 0.901 | 75% | 0.746 | S | S | * | * | | | trans | -156.9 | 156.5 | 157.6 | -143.5 | 68.6 | 0 | 0 | 0 | 113.4 | | |
| 709 | W | 23.6 | Very low | 27.5 | Very low | 132 Ų | 132 | 122.7 Ų | 122.7 | 50% | 0.5 | 74% | 0.739 | S | S | . | * | | | trans | -83.8 | 165.4 | -176.1 | -54.6 | -58.4 | 0 | 0 | 0 | 114.5 | D684 Q685 | D684-W709 VanDerWaalsContact C-CH2 3.47Å; D684-W709 HydrophobicContact CB-CD2 4.05Å; D684-W709 HydrophobicContact CB-CE3 3.57Å; D684-W709 HydrophobicContact CB-CH2 4.15Å; D684-W709 HydrophobicContact CB-CZ3 3.61Å; D684-W709 VanDerWaalsContact O-CH2 3.27Å; D684-W709 WeakPolarHBondContact O-CH2 3.47Å; Q685-W709 VanDerWaalsContact CB-CD1 3.49Å; Q685-W709 HydrophobicContact CB-CD2 3.8Å; Q685-W709 HydrophobicContact CB-CG 3.76Å; Q685-W709 HydrophobicContact CB-CZ2 4.21Å; Q685-W709 PolarHBondContact O-NE1 3.43Å; Q685-W709 VanDerWaalsContact O-NE1 3.15Å |
| 710 | N | 27.3 | Very low | 27.4 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | | | | -158.2 | 148 | 127.8 | -139.3 | -26.6 | 0 | 0 | 0 | 113.7 | | |
| 711 | T | 31.1 | Very low | 27.9 | Very low | 116 Ų | 116 | 124.9 Ų | 124.9 | 71% | 0.712 | 73% | 0.734 | S | S | * | * | | | trans | 55.1 | 124.2 | 165 | 53.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 712 | G | 28.7 | Very low | 27.8 | Very low | 60 Ų | 60 | 127 Ų | 127 | 62% | 0.619 | 74% | 0.736 | S | S | * | * | | | trans | -133.9 | 173.6 | 155.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 713 | T | 32.9 | Very low | 27.8 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 83% | 0.834 | 73% | 0.732 | S | S | * | * | | | trans | -159.7 | 121.7 | 170.8 | -16.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 714 | N | 30.5 | Very low | 27.9 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | | | trans | 21.8 | 126.8 | 148.8 | -64.1 | -7 | 0 | 0 | 0 | 123.5 | | |
| 715 | N | 30.8 | Very low | 28.2 | Very low | 134 Ų | 134 | 124.2 Ų | 124.2 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | | | | 74.2 | 127.5 | 127.4 | -62.1 | -12 | 0 | 0 | 0 | 122.6 | | |
| 716 | N | 26.2 | Very low | 28.6 | Very low | 147 Ų | 147 | 123.8 Ų | 123.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | | | trans | 4.7 | 143.7 | 130.4 | -45.6 | -17.8 | 0 | 0 | 0 | 116.5 | | |
| 717 | S | 29.4 | Very low | 28.9 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | | | | 171.3 | 172.5 | 64.1 | 53 | 0 | 0 | 0 | 0 | 111.4 | | |
| 718 | N | 25.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 126.1 Ų | 126.1 | 83% | 0.829 | 71% | 0.711 | S | S | * | * | | | trans | 59.8 | -158 | 152.4 | -61.8 | -39.1 | 0 | 0 | 0 | 116 | | |
| 719 | T | 22.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 122.7 Ų | 122.7 | 67% | 0.669 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -69 | 158.5 | -174.9 | -27.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 720 | F | 22.9 | Very low | 29.3 | Very low | 187 Ų | 187 | 120.5 Ų | 120.5 | 82% | 0.82 | 69% | 0.694 | S | S | * | * | | | trans | 80.9 | 150.7 | 167.1 | -67.6 | -64.5 | 0 | 0 | 0 | 116.9 | | |
| 721 | P | 37 | Very low | 29.4 | Very low | 99 Ų | 99 | 119.9 Ų | 119.9 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | trans | -136.8 | -159.2 | -131.9 | 34 | -9.5 | 0 | 0 | 0 | 114 | | |
| 722 | I | 24.5 | Very low | 29.4 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | | | trans | 86 | 118.8 | 161.3 | -59.1 | 157.5 | 0 | 0 | 0 | 116.3 | | |
| 723 | S | 25.2 | Very low | 29.3 | Very low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | | | trans | 68.3 | 123.2 | 152.7 | -62.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 724 | S | 27.8 | Very low | 29 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 69% | 0.693 | S | S | * | * | | | trans | 68.3 | 121.2 | 136.3 | 58.7 | 0 | 0 | 0 | 0 | 123.3 | | |
| 725 | S | 30 | Very low | 28.8 | Very low | 110 Ų | 110 | 121 Ų | 121 | 77% | 0.769 | 69% | 0.69 | S | S | * | * | | | trans | 86.4 | 111.9 | 138.9 | -58 | 0 | 0 | 0 | 0 | 122.8 | | |
| 726 | S | 32.6 | Very low | 28.7 | Very low | 111 Ų | 111 | 120.2 Ų | 120.2 | 78% | 0.776 | 69% | 0.694 | S | S | * | * | | | trans | 69.8 | 127.2 | 137.3 | 60.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 727 | R | 32.5 | Very low | 28.7 | Very low | 217 Ų | 217 | 117.9 Ų | 117.9 | 82% | 0.819 | 69% | 0.689 | S | S | * | * | | | trans | 84 | 155.5 | 153.7 | -67.9 | -162.4 | 157.8 | -139 | -10.7 | 121.5 | | |
| 728 | L | 34.2 | Very low | 28.5 | Very low | 60 Ų | 60 | 119.1 Ų | 119.1 | 31% | 0.314 | 70% | 0.698 | S | S | . | * | | | cis | -176 | 102.7 | -39.2 | -104.6 | -177.6 | 0 | 0 | 0 | 110.7 | M688 | M688-L728 HydrophobicContact CB-CB 4.23Å; M688-L728 HydrophobicContact CB-CD2 4.12Å; M688-L728 HydrophobicContact CE-CB 4.36Å; M688-L728 HydrophobicContact CE-CD2 3.32Å; M688-L728 HydrophobicContact CE-CG 4.39Å; M688-L728 HydrophobicContact CG-CD2 4.06Å; M688-L728 WeakPolarHBondContact O-CD1 3.37Å; M688-L728 HydrophobicContact SD-CD2 4.48Å |
| 729 | V | 32.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 116.5 Ų | 116.5 | 60% | 0.6 | 69% | 0.692 | S | S | * | * | | | trans | -166.4 | 150.7 | 167.1 | -88.8 | 0 | 0 | 0 | 0 | 111.5 | S686 M688 | S686-V729 WeakPolarHBondContact OG-CG1 3.36Å; M688-V729 VanDerWaalsContact SD-CA 3.55Å |
| 730 | D | 31.2 | Very low | 28.7 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 46% | 0.46 | 70% | 0.696 | S | S | . | * | | | cis | -156.8 | 167 | -34.8 | -120.8 | -43.4 | 0 | 0 | 0 | 111.3 | M688 | M688-D730 WeakPolarHBondContact CA-OD1 3.42Å; M688-D730 HydrophobicContact CB-CB 4.45Å; M688-D730 VanDerWaalsContact CB-OD1 3.32Å; M688-D730 WeakPolarHBondContact CB-OD1 3.46Å; M688-D730 WeakPolarHBondContact SD-CA 3.42Å; M688-D730 PolarHBondContact SD-N 3.03Å |
| 731 | D | 30.6 | Very low | 28.8 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | | | trans | -105.5 | 159.3 | -173.9 | -100.5 | -55 | 0 | 0 | 0 | 113.9 | | |
| 732 | V | 29.8 | Very low | 28.2 | Very low | 121 Ų | 121 | 113.1 Ų | 113.1 | 73% | 0.733 | 70% | 0.698 | S | S | * | * | | | | -164.2 | 131.3 | 66.2 | 163.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 733 | N | 27.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 68% | 0.684 | 70% | 0.702 | S | S | * | * | | | trans | 39.9 | 146.5 | 149.5 | -77 | -60.1 | 0 | 0 | 0 | 122.3 | | |
| 734 | V | 26.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 79% | 0.788 | 71% | 0.705 | S | S | * | * | | | | -149.6 | 122.7 | 60.6 | 163.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 735 | S | 26.3 | Very low | 28.5 | Very low | 91 Ų | 91 | 119 Ų | 119 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | 37.6 | 122.8 | 137.1 | -48 | 0 | 0 | 0 | 0 | 123 | | |
| 736 | S | 27.5 | Very low | 28.5 | Very low | 116 Ų | 116 | 116.7 Ų | 116.7 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | | | | 176.5 | 150.4 | 113.2 | 38.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 737 | S | 26 | Very low | 28.3 | Very low | 98 Ų | 98 | 122.7 Ų | 122.7 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | | | cis | 171.5 | 103.1 | -38.8 | 46.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 738 | S | 26.8 | Very low | 28.3 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 70% | 0.703 | S | S | * | * | | | trans | 63.9 | 152.9 | 145.5 | 76.4 | 0 | 0 | 0 | 0 | 119.6 | | |
| 739 | S | 25.8 | Very low | 28.2 | Very low | 101 Ų | 101 | 123.2 Ų | 123.2 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | cis | -157.7 | 166.7 | 23.1 | -56.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 740 | S | 25.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | | | trans | 100.1 | 135.1 | 141.5 | -58.9 | 0 | 0 | 0 | 0 | 122.9 | | |
| 741 | S | 25.2 | Very low | 28 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | trans | 69.6 | 102.6 | 149.5 | 42.9 | 0 | 0 | 0 | 0 | 123.6 | | |
| 742 | S | 24.2 | Very low | 28 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | | 78.6 | 137.1 | 123.9 | 68.2 | 0 | 0 | 0 | 0 | 124.4 | | |
| 743 | L | 26.9 | Very low | 27.9 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | 75.6 | 95.9 | 145.6 | -115.5 | 73.2 | 0 | 0 | 0 | 122.1 | | |
| 744 | M | 27.1 | Very low | 27.9 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | | | | 57 | 152 | 122.5 | -69.3 | -153.6 | 71.5 | 0 | 0 | 124.2 | | |
| 745 | I | 28.6 | Very low | 28 | Very low | 160 Ų | 160 | 135 Ų | 135 | 82% | 0.821 | 76% | 0.755 | S | S | * | * | | | trans | 78.1 | 129 | 169.4 | -56.2 | 151.6 | 0 | 0 | 0 | 114.1 | | |
| 746 | G | 29.6 | Very low | 28.1 | Very low | 61 Ų | 61 | 136.2 Ų | 136.2 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | cis | 136.1 | 154 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 747 | R | 29.8 | Very low | 28.1 | Very low | 238 Ų | 238 | 135.8 Ų | 135.8 | 90% | 0.898 | 75% | 0.747 | S | S | * | * | | | trans | 78.5 | 155.2 | -178.4 | -61.7 | -178.8 | 168.6 | 162 | -2.1 | 116.9 | | |
| 748 | D | 31.6 | Very low | 28.2 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | | | cis | 178.8 | 157.2 | -40.1 | -100.6 | -41.4 | 0 | 0 | 0 | 108.3 | | |
| 749 | I | 32.6 | Very low | 28.2 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | | | trans | 167.3 | 95 | 131.3 | -84.3 | 157.8 | 0 | 0 | 0 | 112.4 | | |
| 750 | I | 29.5 | Very low | 28.3 | Very low | 137 Ų | 137 | 143 Ų | 143 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | | | | 40.8 | 118.7 | 126.1 | -51.8 | 158 | 0 | 0 | 0 | 119.8 | | |
| 751 | R | 30.7 | Very low | 28.4 | Very low | 250 Ų | 250 | 144.2 Ų | 144.2 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | | | | -156.8 | 172 | 118.9 | -108.1 | 169.1 | -171 | 161.1 | 4.6 | 111.9 | | |
| 752 | N | 30.4 | Very low | 28.5 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | | -150.3 | 163.9 | -127.3 | -169.8 | 24.6 | 0 | 0 | 0 | 114.4 | | |
| 753 | M | 27.4 | Very low | 28.6 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | trans | 76.4 | 148.4 | 166.8 | -49.5 | -166.6 | -55.2 | 0 | 0 | 116.7 | | |
| 754 | S | 26.8 | Very low | 28.6 | Very low | 86 Ų | 86 | 144.4 Ų | 144.4 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | | | cis | -167.2 | 163.4 | -9.2 | 39.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 755 | E | 29.1 | Very low | 28.4 | Very low | 167 Ų | 167 | 145 Ų | 145 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | trans | 60.7 | 121.3 | 154.1 | -71.3 | 144.3 | -133.5 | 0 | 0 | 119.7 | | |
| 756 | T | 28.7 | Very low | 28.2 | Very low | 117 Ų | 117 | 144.5 Ų | 144.5 | 72% | 0.718 | 73% | 0.729 | S | S | * | * | | | | 74.5 | 149.1 | 60.1 | 69.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 757 | N | 28.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 57% | 0.567 | 73% | 0.734 | S | S | * | * | | | cis | -170.8 | 169.4 | 34.6 | -144.5 | -19.2 | 0 | 0 | 0 | 114.9 | | |
| 758 | Y | 26.7 | Very low | 27.8 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | | | trans | 68.3 | 155 | 158.7 | -62.8 | -51 | 0 | 0 | 0 | 122.1 | | |
| 759 | F | 27.7 | Very low | 27.5 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 70% | 0.702 | 74% | 0.74 | S | S | * | * | | | cis | -146.4 | 136.4 | -2.5 | -108.3 | -57.7 | 0 | 0 | 0 | 111.4 | | |
| 760 | L | 28 | Very low | 27.2 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | | | trans | 19.8 | 156.8 | 131.9 | -57 | -178 | 0 | 0 | 0 | 121.9 | | |
| 761 | D | 27.1 | Very low | 27 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | cis | -170.8 | 179.5 | 0.2 | -108.9 | -13.7 | 0 | 0 | 0 | 108.3 | | |
| 762 | D | 27.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | cis | -171.4 | 177.3 | -17.3 | 172.4 | 38.3 | 0 | 0 | 0 | 107.6 | | |
| 763 | N | 25.8 | Very low | 26.3 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | | | trans | 80.7 | 138.9 | 169.5 | -63.7 | -79.4 | 0 | 0 | 0 | 117.6 | | |
| 764 | I | 27 | Very low | 26.2 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | | | cis | -146.3 | 148.6 | 7 | -120 | 154.5 | 0 | 0 | 0 | 112.4 | | |
| 765 | Q | 24.1 | Very low | 26.2 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | | | trans | 9.6 | 136 | 158.8 | -49.7 | 172.4 | 35.6 | 0 | 0 | 122.1 | | |
| 766 | V | 24.8 | Very low | 26 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 91% | 0.909 | 75% | 0.745 | S | S | * | * | | | | -163.5 | 153.1 | 118.8 | 135.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 767 | A | 23.2 | Very low | 26 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | | | trans | -86.1 | 147 | -166 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 768 | K | 26.7 | Very low | 25.9 | Very low | 212 Ų | 212 | 140 Ų | 140 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | | | trans | -148.2 | 110.4 | 150.8 | -107.8 | 175.5 | -177.1 | 173.1 | 0 | 109.6 | | |
| 769 | V | 26.6 | Very low | 26.2 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | | | trans | -122.3 | 124.4 | 171.3 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 770 | A | 24.5 | Very low | 26.2 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | | | trans | -98.2 | 150 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 771 | A | 25 | Very low | 26 | Very low | 106 Ų | 106 | 137.6 Ų | 137.6 | 88% | 0.876 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 51.2 | 100.7 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 772 | G | 23.2 | Very low | 25.9 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | 112.8 | 146.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 773 | L | 24 | Very low | 25.9 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 52.9 | 104.8 | 174.9 | -71.5 | 80.3 | 0 | 0 | 0 | 116.7 | I775 | L773-I775 HydrophobicContact CD2-CD1 3.85Å; L773-I775 HydrophobicContact CD2-CG1 4.27Å |
| 774 | I | 26.1 | Very low | 25.9 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 86% | 0.862 | 77% | 0.767 | S | S | * | * | | | trans | -112.6 | 105.8 | 133.7 | -63 | -178.3 | 0 | 0 | 0 | 107.5 | | |
| 775 | I | 25.4 | Very low | 26 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | trans | -92.1 | 106.4 | 165.3 | -61 | 176.3 | 0 | 0 | 0 | 106.8 | L773 K777 | L773-I775 HydrophobicContact CD2-CD1 3.85Å; L773-I775 HydrophobicContact CD2-CG1 4.27Å; I775-K777 HydrophobicContact CG2-CG 4.09Å; I775-K777 PolarHBondContact O-N 3.04Å |
| 776 | S | 26.2 | Very low | 26.3 | Very low | 118 Ų | 118 | 138.5 Ų | 138.5 | 83% | 0.825 | 75% | 0.751 | S | S | * | * | | | trans | -71.5 | 92.4 | 168.5 | 42.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 777 | K | 29 | Very low | 26.7 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | | | trans | -80.3 | 124.3 | 168.3 | -72.1 | -175.9 | 178 | 178.6 | 0 | 110.4 | I775 | I775-K777 HydrophobicContact CG2-CG 4.09Å; I775-K777 PolarHBondContact O-N 3.04Å |
| 778 | K | 25.7 | Very low | 27.4 | Very low | 204 Ų | 204 | 140 Ų | 140 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | | | | -178.2 | 160.9 | 124.5 | -97.6 | 168.6 | -178.9 | 180 | 0 | 110.4 | | |
| 779 | P | 33.2 | Very low | 27.7 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | | | | -118.4 | -178 | -122.9 | 43.5 | -36.8 | 0 | 0 | 0 | 114.2 | | |
| 780 | P | 27.4 | Very low | 27.8 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | | | trans | -124.7 | 138.3 | 132.3 | 34.8 | -26.4 | 0 | 0 | 0 | 112.8 | | |
| 781 | Y | 23.9 | Very low | 28.2 | Very low | 192 Ų | 192 | 136 Ų | 136 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | | | trans | -64 | 147.9 | 151.6 | -68.5 | -111.5 | 0 | 0 | 0 | 106.9 | | |
| 782 | Y | 24.7 | Very low | 28.5 | Very low | 189 Ų | 189 | 134 Ų | 134 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | | | | -162.1 | 179.7 | 52.4 | -96.9 | -84.3 | 0 | 0 | 0 | 107.7 | | |
| 783 | H | 27.4 | Very low | 28.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 59% | 0.588 | 72% | 0.72 | S | S | * | * | | | cis | -156.8 | 145 | 19.9 | -128.6 | -60.8 | 0 | 0 | 0 | 109.9 | | |
| 784 | H | 26.6 | Very low | 29 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 62% | 0.62 | 71% | 0.709 | S | S | * | * | | | trans | 66 | 159 | 142.9 | -80.2 | -4.5 | 0 | 0 | 0 | 119.6 | | |
| 785 | H | 29.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 55% | 0.551 | 71% | 0.713 | S | S | * | * | | | cis | -152.5 | 158.4 | 2.6 | -129.2 | -16.9 | 0 | 0 | 0 | 112 | | |
| 786 | Q | 30.6 | Very low | 29.7 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 62% | 0.617 | 72% | 0.718 | S | S | * | * | | | trans | 70 | 143.8 | 142.3 | -70.7 | 166.7 | 0.5 | 0 | 0 | 116.2 | | |
| 787 | Q | 32.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 54% | 0.537 | 71% | 0.712 | S | S | . | * | | | cis | -170.5 | 172.3 | 0.3 | -125.9 | 171.5 | 18.6 | 0 | 0 | 107.9 | H789 | Q787-H789 PolarHBondContact NE2-NE2 2.71Š|
| 788 | Q | 36.6 | Very low | 29.9 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | | | cis | -145.6 | 164.9 | 10.9 | -65.4 | -156.8 | -16 | 0 | 0 | 108 | | |
| 789 | H | 33.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 57% | 0.574 | 71% | 0.708 | S | S | * | * | | | cis | -164.9 | 152.7 | -24.2 | -111.9 | -61.6 | 0 | 0 | 0 | 108.8 | Q787 | Q787-H789 PolarHBondContact NE2-NE2 2.71Š|
| 790 | C | 28.7 | Very low | 29.9 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | trans | 53.1 | 155.4 | 147.3 | -53.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 791 | S | 32.5 | Very low | 29.9 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | | | cis | -144.2 | 166.2 | 12.1 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 792 | G | 32.1 | Very low | 30.2 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 72% | 0.715 | S | S | * | * | | | cis | 141.5 | 97.1 | -6.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 793 | S | 28.4 | Very low | 30.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 93% | 0.93 | 71% | 0.714 | S | S | * | * | | | trans | 61.3 | 157.9 | 167.8 | 67.6 | 0 | 0 | 0 | 0 | 119 | | |
| 794 | G | 28.9 | Very low | 30.8 | Very low | 54 Ų | 54 | 127.2 Ų | 127.2 | 56% | 0.557 | 72% | 0.721 | S | S | * | * | | | cis | 138.5 | 130.7 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 795 | Y | 29.4 | Very low | 31 | Very low | 242 Ų | 242 | 127.1 Ų | 127.1 | 95% | 0.949 | 73% | 0.729 | S | S | * | * | | | trans | 56.4 | -160.2 | 171.8 | -58.6 | -87 | 0 | 0 | 0 | 113.1 | | |
| 796 | P | 37.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | -129.6 | 173.3 | -24.2 | 40.6 | -26.4 | 0 | 0 | 0 | 114.2 | | |
| 797 | T | 29.5 | Very low | 30.6 | Very low | 115 Ų | 115 | 125 Ų | 125 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -162.9 | 143 | 149.2 | 29.4 | 0 | 0 | 0 | 0 | 110 | | |
| 798 | R | 30.6 | Very low | 30.5 | Very low | 217 Ų | 217 | 126.7 Ų | 126.7 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | | | cis | -161 | 164.9 | -11.5 | -144 | 178.4 | -76.9 | -163.3 | -4.3 | 104.8 | | |
| 799 | I | 31.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | S | Bend | cis | -144.9 | 149.8 | 16.1 | -35.5 | 164.3 | 0 | 0 | 0 | 104.9 | | |
| 800 | S | 26.5 | Very low | 29.9 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | S | Bend | cis | -123.1 | 139.4 | 16.1 | -46.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 801 | G | 28.2 | Very low | 30 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | | 105.3 | 128.1 | 53.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 802 | L | 29.5 | Very low | 29.7 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | | | cis | -140.3 | 135.7 | 14.1 | -65.9 | 157.8 | 0 | 0 | 0 | 107 | | |
| 803 | T | 30.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | | 52.5 | 144.6 | 70.6 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 804 | P | 34.1 | Very low | 29.4 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | cis | -143.9 | -163.3 | -6.6 | 27 | 0.6 | 0 | 0 | 0 | 116 | | |
| 805 | V | 30.5 | Very low | 29.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | | | trans | 80.9 | 149.8 | 155.9 | -160.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 806 | S | 27.1 | Very low | 29 | Very low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 76% | 0.755 | S | S | * | * | | | | -169.2 | 161.3 | -72.4 | 63.8 | 0 | 0 | 0 | 0 | 112 | | |
| 807 | T | 25 | Very low | 28.4 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 41.4 | 129.2 | 147.7 | 54.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 808 | I | 30.2 | Very low | 28.5 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 77% | 0.774 | 76% | 0.756 | S | S | * | * | | | | 169.9 | 124.3 | 122.3 | -90.5 | 159.6 | 0 | 0 | 0 | 115.1 | | |
| 809 | F | 28.5 | Very low | 28.2 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | | | trans | 68.8 | 118.4 | 142.7 | -80.6 | -122.3 | 0 | 0 | 0 | 126.7 | | |
| 810 | T | 29.3 | Very low | 28.1 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | | 61.9 | 147 | 125.9 | 63 | 0 | 0 | 0 | 0 | 125.4 | | |
| 811 | G | 30.7 | Very low | 28.1 | Very low | 73 Ų | 73 | 116.9 Ų | 116.9 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | | | trans | 101 | 111.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 812 | A | 25.5 | Very low | 28 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | cis | 76.3 | 128.8 | 10.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 813 | S | 28.3 | Very low | 27.9 | Very low | 109 Ų | 109 | 116.6 Ų | 116.6 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | 67.8 | 135.6 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 116 | | |
| 814 | N | 25.5 | Very low | 27.9 | Very low | 153 Ų | 153 | 115.5 Ų | 115.5 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | | | cis | 63.9 | 164.1 | 40.7 | -77.8 | -11.6 | 0 | 0 | 0 | 114.9 | | |
| 815 | T | 25.7 | Very low | 27.5 | Very low | 125 Ų | 125 | 116.4 Ų | 116.4 | 77% | 0.767 | 77% | 0.765 | S | S | * | * | | | trans | 85.7 | 137.7 | 168.2 | 68.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 816 | T | 25.2 | Very low | 27.3 | Very low | 116 Ų | 116 | 118.7 Ų | 118.7 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | cis | -160.6 | 172.9 | -34.5 | -33.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 817 | S | 25.5 | Very low | 27.4 | Very low | 100 Ų | 100 | 121.1 Ų | 121.1 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | 76.1 | 153.2 | 144.8 | -64.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 818 | T | 29.9 | Very low | 27.7 | Very low | 124 Ų | 124 | 119.1 Ų | 119.1 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | | | cis | -145.9 | 170.7 | 3.5 | -11.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 819 | S | 24.7 | Very low | 27.6 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | | | trans | -31.5 | 159.6 | 159.6 | 58.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 820 | T | 29 | Very low | 27.7 | Very low | 133 Ų | 133 | 115.8 Ų | 115.8 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | | | cis | -153.7 | 168 | 42.5 | -52.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 821 | A | 26.6 | Very low | 27.9 | Very low | 84 Ų | 84 | 118.6 Ų | 118.6 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | | | trans | -88.4 | -172.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 822 | C | 26.8 | Very low | 27.7 | Very low | 140 Ų | 140 | 123.5 Ų | 123.5 | 95% | 0.946 | 78% | 0.78 | S | S | * | * | | | trans | 73.3 | 132 | 178.7 | -58.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 823 | G | 27.2 | Very low | 27.8 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -144.2 | 162.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 824 | A | 30.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -153.1 | 129.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 825 | V | 25.4 | Very low | 28.1 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | | | trans | 30.9 | 131.4 | 133.2 | 179.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 826 | K | 27.1 | Very low | 28.1 | Very low | 181 Ų | 181 | 123.2 Ų | 123.2 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | | | trans | 99.8 | 142.7 | 152.9 | -88.6 | 165 | -175.7 | 177.2 | 0 | 121.6 | | |
| 827 | T | 29.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 73.2 | 143.7 | 148.7 | 44.1 | 0 | 0 | 0 | 0 | 122 | | |
| 828 | G | 31.5 | Very low | 28.3 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | | | trans | 81 | 102 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 829 | N | 27.9 | Very low | 28.4 | Very low | 157 Ų | 157 | 123.7 Ų | 123.7 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | | | cis | 76.8 | 143.4 | 20.2 | -151.1 | 9.1 | 0 | 0 | 0 | 116.1 | | |
| 830 | C | 30.7 | Very low | 28.6 | Very low | 97 Ų | 97 | 123.7 Ų | 123.7 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | | | trans | 88.4 | 98.2 | 168.2 | -55.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 831 | K | 31.8 | Very low | 28.6 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | | | | 63.3 | 104.9 | 123.6 | -65.2 | -179.9 | 178.4 | -178 | 0 | 122.4 | | |
| 832 | Q | 28.3 | Very low | 28.5 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | | 39.9 | 123.1 | 111.3 | -74.9 | 176.4 | -43.2 | 0 | 0 | 122.1 | | |
| 833 | S | 27.1 | Very low | 28.6 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | 60 | 124.3 | 133.7 | 68 | 0 | 0 | 0 | 0 | 122.3 | | |
| 834 | L | 28.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 76% | 0.764 | S | S | * | * | | | | -155.7 | 167.1 | 116.2 | -123.3 | 72.8 | 0 | 0 | 0 | 108.9 | | |
| 835 | P | 32.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 76% | 0.758 | S | S | * | * | | | trans | -111.5 | 174 | -162.9 | 41.8 | -37 | 0 | 0 | 0 | 116.7 | | |
| 836 | S | 25.4 | Very low | 29 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 89 | 149.2 | 147.1 | 87.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 837 | T | 27.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | | | trans | 72.6 | 86.6 | 148.1 | -39.5 | 0 | 0 | 0 | 0 | 119.5 | | |
| 838 | V | 27.4 | Very low | 29.4 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | | 36.3 | 117.7 | 112.7 | -179.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 839 | P | 31.4 | Very low | 29.2 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 76% | 0.755 | S | S | * | * | | | | -151.2 | -177.3 | 68.6 | 42.2 | -24.1 | 0 | 0 | 0 | 117.1 | | |
| 840 | S | 29.2 | Very low | 29.4 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | | | trans | 70.8 | 133.9 | 163 | -57.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 841 | F | 29.5 | Very low | 29.4 | Very low | 211 Ų | 211 | 133.8 Ų | 133.8 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | | | cis | -89.3 | 145.8 | 13.6 | -76.5 | -105.3 | 0 | 0 | 0 | 114.5 | | |
| 842 | R | 24 | Very low | 29.3 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -121.6 | 173.8 | 174.3 | -93.9 | -172.3 | 173.6 | -179 | 0.1 | 109.2 | | |
| 843 | F | 29.4 | Very low | 29.3 | Very low | 178 Ų | 178 | 135 Ų | 135 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | 76.2 | 132.5 | 164.4 | -51.4 | -67.8 | 0 | 0 | 0 | 114.3 | | |
| 844 | S | 30.8 | Very low | 30 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | cis | -153.7 | 165 | -4.9 | -92 | 0 | 0 | 0 | 0 | 108.1 | | |
| 845 | S | 32.8 | Very low | 29.9 | Very low | 96 Ų | 96 | 137 Ų | 137 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | | | cis | -154.8 | 125.2 | 10.7 | 15.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 846 | T | 28.1 | Very low | 30 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | | 51.8 | 85.2 | 89.6 | 66.6 | 0 | 0 | 0 | 0 | 116.4 | | |
| 847 | S | 32.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -174.3 | 151.8 | 136.9 | 60.4 | 0 | 0 | 0 | 0 | 110 | | |
| 848 | S | 32.6 | Very low | 30.7 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | | | cis | -166.9 | 147.3 | -24.7 | 172.2 | 0 | 0 | 0 | 0 | 107.3 | R850 | S848-R850 PolarHBondContact O-N 3.26Š|
| 849 | T | 27.2 | Very low | 31 | Very low | 127 Ų | 127 | 146 Ų | 146 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | | | trans | -47.3 | 124.8 | 162 | 44.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 850 | R | 32 | Very low | 31.2 | Very low | 188 Ų | 188 | 148.7 Ų | 148.7 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | | | trans | 164.9 | 154.3 | 152.4 | -93 | 162.4 | -171.8 | -128.6 | 12.8 | 108.5 | S848 | S848-R850 PolarHBondContact O-N 3.26Š|
| 851 | H | 30.7 | Very low | 31.5 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 41% | 0.412 | 74% | 0.738 | S | S | . | * | | | cis | -135.8 | 123.8 | 2.2 | -122.9 | -61.5 | 0 | 0 | 0 | 111 | R853 | H851-R853 PolarHBondContact O-N 3.39Š|
| 852 | H | 28.9 | Very low | 31.6 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 85% | 0.852 | 73% | 0.731 | S | S | * | * | | | trans | -56.3 | 127.7 | 142.3 | -100.4 | -58.5 | 0 | 0 | 0 | 107.4 | | |
| 853 | R | 27.9 | Very low | 32.1 | Very low | 203 Ų | 203 | 147.4 Ų | 147.4 | 77% | 0.766 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 168.6 | 155 | 135.4 | -94 | 164 | 178.5 | -163.9 | -2.8 | 111 | H851 T855 | H851-R853 PolarHBondContact O-N 3.39Å; R853-T855 PolarHBondContact O-N 2.67Å |
| 854 | H | 42.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 142 Ų | 142 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | S | Bend | | -1.1 | 114 | 125.3 | -49.8 | -98.3 | 0 | 0 | 0 | 113.2 | H856 | H854-H856 PolarHBondContact O-N 3.15Š|
| 855 | T | 25.1 | Very low | 32.6 | Very low | 134 Ų | 134 | 142.9 Ų | 142.9 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -69.4 | 89 | -173.3 | 45.2 | 0 | 0 | 0 | 0 | 112.5 | R853 | R853-T855 PolarHBondContact O-N 2.67Š|
| 856 | H | 34.6 | Very low | 32.5 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | | | trans | -162.4 | 109.4 | 155.5 | -96 | -63.5 | 0 | 0 | 0 | 110.6 | H854 | H854-H856 PolarHBondContact O-N 3.15Š|
| 857 | H | 35.1 | Very low | 32.6 | Very low | 147 Ų | 147 | 144.1 Ų | 144.1 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 60.7 | 124.5 | 158.3 | -52.3 | -72.3 | 0 | 0 | 0 | 118.3 | | |
| 858 | H | 32.2 | Very low | 32.4 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 68% | 0.676 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -148.6 | 147 | 10 | -97.7 | -80.1 | 0 | 0 | 0 | 111.7 | | |
| 859 | R | 33 | Very low | 32.2 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | | | trans | 61.7 | 135.8 | 175.8 | -55.7 | -178 | 172.6 | -174.7 | -3.3 | 114.9 | | |
| 860 | F | 36.3 | Very low | 32.5 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | | | cis | -176.5 | 158.5 | -9.3 | -97.1 | -28.6 | 0 | 0 | 0 | 106.7 | | |
| 861 | I | 35 | Very low | 32.3 | Very low | 140 Ų | 140 | 144.2 Ų | 144.2 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | | | cis | -156.3 | -167.2 | -8.8 | -150.1 | 164 | 0 | 0 | 0 | 109.9 | | |
| 862 | F | 33 | Very low | 32.2 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -85 | 172.7 | 179.9 | -62.6 | -91.5 | 0 | 0 | 0 | 113.7 | | |
| 863 | D | 34 | Very low | 32.5 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | | | cis | -163.2 | 172.7 | -2.6 | -129.7 | -33.1 | 0 | 0 | 0 | 112.2 | | |
| 864 | G | 31.8 | Very low | 32.8 | Very low | 65 Ų | 65 | 138.2 Ų | 138.2 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | 106.3 | 147.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 865 | P | 39.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | | | trans | -131.7 | 155.7 | -168.5 | 41.8 | -26.5 | 0 | 0 | 0 | 118.4 | | |
| 866 | N | 29.2 | Very low | 32.3 | Very low | 155 Ų | 155 | 133 Ų | 133 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | | 177.9 | 163.9 | 122.1 | -102.9 | -39.6 | 0 | 0 | 0 | 116.8 | | |
| 867 | S | 30.5 | Very low | 32.1 | Very low | 100 Ų | 100 | 130.4 Ų | 130.4 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | 63.4 | 104.5 | 158.4 | 47.8 | 0 | 0 | 0 | 0 | 121.4 | | |
| 868 | S | 29.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | 57.9 | 123.7 | 132.5 | 62.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 869 | G | 28.4 | Very low | 31.7 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | | | trans | 113.2 | 92.4 | 133.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 870 | N | 33.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 123.7 Ų | 123.7 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | | -164.7 | 168.5 | 129.7 | -106.5 | -36.9 | 0 | 0 | 0 | 112.1 | | |
| 871 | Q | 28.1 | Very low | 31.1 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -90 | 174.4 | -173.4 | -60.6 | -177.1 | 0.3 | 0 | 0 | 113.6 | | |
| 872 | S | 29.4 | Very low | 31 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 93.2 | 151.1 | 154.4 | -56.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 873 | S | 34.3 | Very low | 31.2 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | 61.1 | 94.6 | 176.5 | 46 | 0 | 0 | 0 | 0 | 118.5 | | |
| 874 | S | 33.2 | Very low | 30.9 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | trans | -34.2 | 147 | 145.8 | 51.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 875 | G | 30.6 | Very low | 31 | Very low | 77 Ų | 77 | 119.4 Ų | 119.4 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 170.9 | 95.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 876 | C | 28.1 | Very low | 31 | Very low | 124 Ų | 124 | 119.6 Ų | 119.6 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | | | trans | -75.7 | 158 | -170.1 | -56.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 877 | S | 30 | Very low | 30.8 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | | | | 103 | 91.3 | 129.7 | -78.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 878 | T | 28.9 | Very low | 31 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | | 83.9 | 133.8 | 115.6 | 44.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 879 | T | 29.7 | Very low | 30.7 | Very low | 131 Ų | 131 | 118.1 Ų | 118.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | 95.6 | 117.6 | 136.5 | 30.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 880 | A | 26.8 | Very low | 30.9 | Very low | 94 Ų | 94 | 123 Ų | 123 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | 77.2 | 160.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 881 | V | 30.1 | Very low | 30.7 | Very low | 133 Ų | 133 | 117.7 Ų | 117.7 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | | | cis | -134.5 | 166.1 | 13.8 | -172.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 882 | L | 33.8 | Very low | 30.9 | Very low | 143 Ų | 143 | 115.1 Ų | 115.1 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | | | trans | -69.6 | 172.1 | 170.2 | -55.1 | 99.6 | 0 | 0 | 0 | 113.4 | | |
| 883 | P | 36.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | | | | -117.6 | 141.5 | 105.4 | -3.8 | 23.8 | 0 | 0 | 0 | 111.6 | | |
| 884 | S | 28.5 | Very low | 30.9 | Very low | 96 Ų | 96 | 115.9 Ų | 115.9 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | | | | 73.5 | 107 | 56.8 | -54.7 | 0 | 0 | 0 | 0 | 112 | | |
| 885 | V | 33.8 | Very low | 30.8 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | | 81.4 | 118.4 | 58.2 | 172.6 | 0 | 0 | 0 | 0 | 113.4 | I887 | V885-I887 HydrophobicContact CG1-CD1 3.88Å; V885-I887 HydrophobicContact CG1-CG1 3.8Å |
| 886 | P | 38.1 | Very low | 31.1 | Very low | 119 Ų | 119 | 120.1 Ų | 120.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | | -123.8 | 149.6 | 124.2 | 0.6 | 21.5 | 0 | 0 | 0 | 112 | | |
| 887 | I | 26 | Very low | 31.2 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | | | cis | 76.1 | 139.1 | 34.1 | -58.1 | 164.5 | 0 | 0 | 0 | 111.3 | V885 | V885-I887 HydrophobicContact CG1-CD1 3.88Å; V885-I887 HydrophobicContact CG1-CG1 3.8Å |
| 888 | P | 33.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | | | cis | -114.3 | 172.6 | 7.9 | 18.9 | 5.4 | 0 | 0 | 0 | 113.5 | | |
| 889 | S | 24.5 | Very low | 31.4 | Very low | 100 Ų | 100 | 123.6 Ų | 123.6 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | cis | 86.3 | 96.6 | 18.5 | 85.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 890 | I | 32.5 | Very low | 31.3 | Very low | 171 Ų | 171 | 126.2 Ų | 126.2 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | | | trans | -163.3 | 139.7 | 161.8 | -92.1 | 145.1 | 0 | 0 | 0 | 103.2 | | |
| 891 | G | 29.5 | Very low | 31.2 | Very low | 59 Ų | 59 | 128.9 Ų | 128.9 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | | | cis | 97.4 | 130.8 | 40.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 892 | T | 30.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | | | cis | -163.1 | 151 | 1.5 | 42 | 0 | 0 | 0 | 0 | 109.6 | | |
| 893 | N | 29.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | | | trans | 67.4 | 161 | 165.2 | -44.4 | -20.3 | 0 | 0 | 0 | 115.7 | | |
| 894 | S | 35.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 128 Ų | 128 | 66% | 0.664 | 73% | 0.732 | S | S | * | * | | | cis | -147.6 | 159.3 | 7.3 | -31.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 895 | D | 30.5 | Very low | 30.2 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | 70.5 | 143 | 139.6 | -54.4 | -26.6 | 0 | 0 | 0 | 125.5 | | |
| 896 | I | 37.4 | Very low | 29.8 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | | | trans | 87.2 | 113.3 | 158.2 | -63.7 | 148.5 | 0 | 0 | 0 | 119.4 | | |
| 897 | N | 30.7 | Very low | 29.2 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | trans | 61 | 99.2 | 165.8 | -63 | -16.8 | 0 | 0 | 0 | 117.8 | | |
| 898 | H | 30.9 | Very low | 29.2 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 70% | 0.704 | 74% | 0.737 | S | S | * | * | | | | 60.6 | 134.1 | 53.8 | -58.7 | -72 | 0 | 0 | 0 | 113.5 | | |
| 899 | N | 30.7 | Very low | 28.9 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 68% | 0.679 | 74% | 0.736 | S | S | * | * | | | cis | -159.9 | 163.5 | 6 | -105.7 | -5 | 0 | 0 | 0 | 108.5 | | |
| 900 | F | 28.6 | Very low | 28.9 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 82% | 0.816 | 74% | 0.737 | S | S | * | * | | | cis | -158.3 | 177.7 | -19.2 | -152.7 | -117.1 | 0 | 0 | 0 | 108.9 | | |
| 901 | M | 25.5 | Very low | 28.5 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 74% | 0.739 | 73% | 0.727 | S | S | * | * | | | trans | -108.2 | 159.8 | 179.4 | -94 | -164.4 | 174.2 | 0 | 0 | 113.9 | | |
| 902 | H | 26.7 | Very low | 28.3 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | trans | 35.8 | 123.6 | 148.9 | -74.7 | -119.7 | 0 | 0 | 0 | 119.6 | | |
| 903 | S | 26 | Very low | 28.4 | Very low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | | | | 165.9 | 146.2 | 108.4 | -73.3 | 0 | 0 | 0 | 0 | 114 | | |
| 904 | S | 26.2 | Very low | 28.5 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | | | trans | 66.4 | 142.9 | 148 | -59.8 | 0 | 0 | 0 | 0 | 121.9 | | |
| 905 | L | 27.7 | Very low | 28.1 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | | | trans | 67.2 | 120.4 | 157.9 | -61.9 | 159.7 | 0 | 0 | 0 | 115.8 | | |
| 906 | S | 25.4 | Very low | 28.2 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | | | | 78.8 | 139 | 66.2 | -64 | 0 | 0 | 0 | 0 | 113.8 | | |
| 907 | S | 26.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | | | trans | 47.3 | 99.4 | 161.2 | 49.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 908 | S | 25.1 | Very low | 28 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | | 71.8 | 154.5 | 81.1 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 909 | S | 26.5 | Very low | 28 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | 65.4 | 145 | 179.1 | 17.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 910 | E | 25 | Very low | 28.1 | Very low | 153 Ų | 153 | 135.7 Ų | 135.7 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | | | cis | -160.6 | 165.7 | -4.7 | -128.3 | 169.9 | -159.9 | 0 | 0 | 113.1 | | |
| 911 | Y | 24 | Very low | 28.3 | Very low | 172 Ų | 172 | 134 Ų | 134 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | | | trans | 51.4 | 125.7 | 146.5 | -78.7 | -50.2 | 0 | 0 | 0 | 125 | | |
| 912 | N | 25.3 | Very low | 28.3 | Very low | 131 Ų | 131 | 135.9 Ų | 135.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | | 85.6 | 150.9 | 123.8 | -75.7 | -27.7 | 0 | 0 | 0 | 122.4 | | |
| 913 | R | 33 | Very low | 28.5 | Very low | 225 Ų | 225 | 132.3 Ų | 132.3 | 85% | 0.849 | 73% | 0.731 | S | S | * | * | | | trans | 69.5 | 127 | 156.9 | -79.8 | 179.8 | -178.1 | -156 | 0.1 | 117.4 | | |
| 914 | T | 31.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | cis | -154.5 | 161 | -9.5 | -18.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 915 | Q | 27.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | | | trans | -11 | 142.9 | 153.3 | -68.2 | 148.7 | -14.8 | 0 | 0 | 116.1 | | |
| 916 | L | 32 | Very low | 28.9 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 74% | 0.74 | S | S | * | * | | | cis | -122.3 | 138.7 | 45.9 | -66.7 | 160.1 | 0 | 0 | 0 | 115.4 | | |
| 917 | H | 30.1 | Very low | 29.2 | Very low | 118 Ų | 118 | 147 Ų | 147 | 55% | 0.546 | 75% | 0.749 | S | S | . | * | | | | 9.3 | 144.9 | 127.9 | -69.5 | -78.9 | 0 | 0 | 0 | 118.1 | E919 | H917-E919 IonicContact CE1-OE1 2.92Å; H917-E919 IonicContact CE1-OE2 3.85Å; H917-E919 PolarHBondContact CE1-OE2 2.65Å; H917-E919 IonicContact CG-OE1 2.7Å; H917-E919 IonicContact ND1-OE1 2.72Å; H917-E919 PolarHBondContact ND1-OE1 2.98Å; H917-E919 IonicContact ND1-OE2 3.75Å; H917-E919 PolarHBondContact ND1-OE2 2.76Å |
| 918 | P | 34.2 | Very low | 29.2 | Very low | 126 Ų | 126 | 153.5 Ų | 153.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | cis | -106.9 | -140.2 | 22.3 | -3.2 | 27.7 | 0 | 0 | 0 | 116.5 | | |
| 919 | E | 31.1 | Very low | 29.3 | Very low | 140 Ų | 140 | 153.3 Ų | 153.3 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | | | trans | -152 | 164.3 | -149.2 | -93.1 | 115.3 | -40.2 | 0 | 0 | 111.1 | H917 | H917-E919 IonicContact CE1-OE1 2.92Å; H917-E919 IonicContact CE1-OE2 3.85Å; H917-E919 PolarHBondContact CE1-OE2 2.65Å; H917-E919 IonicContact CG-OE1 2.7Å; H917-E919 IonicContact ND1-OE1 2.72Å; H917-E919 PolarHBondContact ND1-OE1 2.98Å; H917-E919 IonicContact ND1-OE2 3.75Å; H917-E919 PolarHBondContact ND1-OE2 2.76Å |
| 920 | S | 32.2 | Very low | 29.2 | Very low | 95 Ų | 95 | 156.5 Ų | 156.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | cis | -162.3 | 171.3 | 2.1 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 921 | L | 33.7 | Very low | 29.2 | Very low | 151 Ų | 151 | 157 Ų | 157 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | 51.7 | 94.7 | 148.8 | -70.7 | 164.3 | 0 | 0 | 0 | 119.7 | | |
| 922 | L | 25 | Very low | 29.2 | Very low | 188 Ų | 188 | 156 Ų | 156 | 98% | 0.984 | 76% | 0.76 | S | S | * | * | | | trans | -111.1 | 111.1 | 143.3 | -153.3 | 91.6 | 0 | 0 | 0 | 108.9 | | |
| 923 | S | 30.4 | Very low | 29.2 | Very low | 91 Ų | 91 | 157.3 Ų | 157.3 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -152.9 | 166.7 | 176.7 | 73 | 0 | 0 | 0 | 0 | 112.4 | | |
| 924 | K | 32.2 | Very low | 28.8 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | | | trans | 59.9 | 86.5 | -179.1 | -67.6 | -172.8 | 176.4 | 179.8 | 0 | 115.9 | | |
| 925 | Q | 28 | Very low | 28.6 | Very low | 170 Ų | 170 | 152 Ų | 152 | 79% | 0.794 | 75% | 0.753 | S | S | * | * | | | trans | -68 | 123 | 164.8 | 175.5 | 175.4 | -27.7 | 0 | 0 | 111.5 | | |
| 926 | R | 28.9 | Very low | 28.6 | Very low | 217 Ų | 217 | 153.2 Ų | 153.2 | 82% | 0.819 | 76% | 0.763 | S | S | * | * | | | trans | 57.4 | 86.3 | 160.7 | -61.7 | 178.1 | -176.4 | -174.4 | -0.4 | 117.5 | | |
| 927 | Q | 30.3 | Very low | 28.4 | Very low | 185 Ų | 185 | 152.3 Ų | 152.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | -82.1 | 154.8 | 145.6 | -78.7 | -174.5 | -83.1 | 0 | 0 | 111 | | |
| 928 | Y | 27.6 | Very low | 28.3 | Very low | 239 Ų | 239 | 152.7 Ų | 152.7 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | | | trans | -88.3 | 114.7 | 171.2 | -96.8 | -115 | 0 | 0 | 0 | 110.8 | | |
| 929 | S | 26.4 | Very low | 27.9 | Very low | 96 Ų | 96 | 154.7 Ų | 154.7 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -173.9 | 136.6 | 163.2 | 65.8 | 0 | 0 | 0 | 0 | 105.2 | | |
| 930 | Q | 26.2 | Very low | 27.9 | Very low | 170 Ų | 170 | 155.7 Ų | 155.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | | -163.6 | 157.2 | 52.8 | -103.2 | 152.8 | 3 | 0 | 0 | 106.1 | | |
| 931 | Q | 24.1 | Very low | 27.9 | Very low | 165 Ų | 165 | 156.5 Ų | 156.5 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | | | cis | 56 | 85.9 | 38.8 | -85.7 | -165.4 | -9.7 | 0 | 0 | 115.6 | | |
| 932 | Y | 23 | Very low | 27.6 | Very low | 149 Ų | 149 | 154.3 Ų | 154.3 | 58% | 0.584 | 77% | 0.772 | S | S | * | * | | | trans | 74.4 | 170.2 | 164.1 | -60.7 | -71.6 | 0 | 0 | 0 | 119.1 | L949 | Y932-L949 HydrophobicContact CD1-CD2 4.47Å; Y932-L949 HydrophobicContact CD1-CG 4.43Å; Y932-L949 HydrophobicContact CE1-CD1 4.11Å; Y932-L949 HydrophobicContact CE1-CD2 3.47Å; Y932-L949 VanDerWaalsContact CE1-CD2 3.47Å; Y932-L949 HydrophobicContact CE1-CG 3.74Å; Y932-L949 HydrophobicContact CE2-CD1 4.39Å |
| 933 | H | 25.9 | Very low | 27.8 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | | | trans | 65.2 | 99.5 | 168.6 | -79.9 | -84.2 | 0 | 0 | 0 | 119.9 | | |
| 934 | N | 25.2 | Very low | 27.8 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | | | | 12.8 | 135.9 | 110.6 | -79.3 | -22.2 | 0 | 0 | 0 | 118.4 | | |
| 935 | S | 27.3 | Very low | 27.6 | Very low | 84 Ų | 84 | 149.4 Ų | 149.4 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 52.4 | 106.2 | 145.2 | 62.4 | 0 | 0 | 0 | 0 | 119 | L937 | S935-L937 PolarHBondContact O-N 3.37Š|
| 936 | L | 26.9 | Very low | 27.7 | Very low | 174 Ų | 174 | 151 Ų | 151 | 91% | 0.911 | 75% | 0.754 | S | S | * | * | | | | 35.1 | 77.6 | 111.4 | -157.1 | 175.7 | 0 | 0 | 0 | 114.3 | | |
| 937 | L | 28.6 | Very low | 27.8 | Very low | 142 Ų | 142 | 147.1 Ų | 147.1 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | | | trans | -141.2 | 122 | 174.7 | -83.8 | 174.6 | 0 | 0 | 0 | 111.6 | S935 | S935-L937 PolarHBondContact O-N 3.37Š|
| 938 | N | 26.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 67% | 0.674 | 74% | 0.736 | S | S | * | * | | | trans | 158 | 135.7 | 138.3 | -85 | -14.4 | 0 | 0 | 0 | 108.6 | | |
| 939 | F | 27.1 | Very low | 28 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 74% | 0.737 | 72% | 0.721 | S | S | * | * | | | cis | -134.6 | -173.9 | -2.4 | -98.4 | -63.1 | 0 | 0 | 0 | 107 | | |
| 940 | I | 31.1 | Very low | 28.1 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 83% | 0.826 | 72% | 0.723 | S | S | * | * | | | cis | -144.5 | 128.8 | 20.8 | -52 | 157.6 | 0 | 0 | 0 | 110.1 | | |
| 941 | S | 31.6 | Very low | 28.2 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | | | trans | -162.1 | 147 | 135 | -113.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 942 | S | 28.2 | Very low | 28.3 | Very low | 105 Ų | 105 | 133 Ų | 133 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | trans | -80.9 | 157.5 | 179.6 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 943 | C | 29.3 | Very low | 28.4 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 68% | 0.682 | 73% | 0.726 | S | S | * | * | | | trans | 80.8 | 107.7 | 167.3 | -53.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 944 | Q | 29.5 | Very low | 28.4 | Very low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | | | | 58.9 | 130.3 | 119.5 | -69.5 | 166.8 | -8.4 | 0 | 0 | 120 | | |
| 945 | T | 28.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 61% | 0.607 | 73% | 0.725 | S | S | * | * | | | cis | -168.7 | 142.5 | -9.8 | -6.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 946 | Y | 28.6 | Very low | 28.4 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | 65.7 | 171.1 | 163.8 | -54.6 | -47.9 | 0 | 0 | 0 | 117.2 | | |
| 947 | N | 31.4 | Very low | 28.4 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | cis | -168.3 | 171.6 | -26.4 | -99.5 | 0.2 | 0 | 0 | 0 | 108.7 | | |
| 948 | S | 30.9 | Very low | 28.3 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | | | cis | -175.8 | 152.9 | -30.3 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 949 | L | 30.9 | Very low | 28.2 | Very low | 116 Ų | 116 | 123.7 Ų | 123.7 | 61% | 0.607 | 70% | 0.7 | S | S | * | * | | | trans | 77.1 | 177.8 | 148.5 | -109 | 162 | 0 | 0 | 0 | 122.7 | Y932 | Y932-L949 HydrophobicContact CD1-CD2 4.47Å; Y932-L949 HydrophobicContact CD1-CG 4.43Å; Y932-L949 HydrophobicContact CE1-CD1 4.11Å; Y932-L949 HydrophobicContact CE1-CD2 3.47Å; Y932-L949 VanDerWaalsContact CE1-CD2 3.47Å; Y932-L949 HydrophobicContact CE1-CG 3.74Å; Y932-L949 HydrophobicContact CE2-CD1 4.39Å |
| 950 | N | 29.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 121.1 Ų | 121.1 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -119.5 | 173.8 | -151.2 | -96.9 | -13 | 0 | 0 | 0 | 115.7 | | |
| 951 | T | 27.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 117 Ų | 117 | 76% | 0.761 | 68% | 0.681 | S | S | * | * | | | trans | 79.5 | 121.9 | 152.3 | 24 | 0 | 0 | 0 | 0 | 121.3 | | |
| 952 | S | 25.7 | Very low | 28.7 | Very low | 98 Ų | 98 | 116.6 Ų | 116.6 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | | | trans | 41.3 | 109.3 | 145.4 | 55.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 953 | T | 24.9 | Very low | 28.9 | Very low | 124 Ų | 124 | 117 Ų | 117 | 76% | 0.761 | 67% | 0.672 | S | S | * | * | | | trans | 52.7 | 122.9 | 136.5 | 52.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 954 | S | 25.9 | Very low | 28.9 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 72% | 0.72 | 66% | 0.664 | S | S | * | * | | | trans | 63.5 | 134.9 | 164.1 | 32.5 | 0 | 0 | 0 | 0 | 116.4 | | |
| 955 | D | 27.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 111.7 Ų | 111.7 | 74% | 0.738 | 66% | 0.656 | S | S | * | * | | | cis | -153.3 | 155.8 | 4.3 | -113 | -28 | 0 | 0 | 0 | 115.2 | | |
| 956 | L | 27.1 | Very low | 29.4 | Very low | 133 Ų | 133 | 111.9 Ų | 111.9 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | | | trans | 32.7 | 140.2 | 144.1 | -68.3 | 165.3 | 0 | 0 | 0 | 123.8 | | |
| 957 | N | 26.1 | Very low | 29.7 | Very low | 138 Ų | 138 | 107.5 Ų | 107.5 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | | | trans | 76.7 | 149.9 | 145.3 | -64.4 | -18.3 | 0 | 0 | 0 | 118.5 | | |
| 958 | C | 26 | Very low | 29.7 | Very low | 96 Ų | 96 | 109.2 Ų | 109.2 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | | | cis | -156.6 | 163 | -0.4 | -135.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 959 | S | 25.2 | Very low | 29.9 | Very low | 45 Ų | 45 | 109.6 Ų | 109.6 | 32% | 0.315 | 66% | 0.661 | S | S | . | * | | | trans | 50.1 | 123 | 138.9 | -72 | 0 | 0 | 0 | 0 | 123.4 | R2514 I2515 | S959-R2514 WeakPolarHBondContact CB-O 3.45Å; S959-R2514 VanDerWaalsContact OG-C 3.32Å; S959-R2514 PolarHBondContact OG-O 3.3Å; S959-I2515 WeakPolarHBondContact CB-O 3.37Å; S959-I2515 PolarHBondContact OG-N 3.16Å; S959-I2515 PolarHBondContact OG-O 3Å |
| 960 | T | 33 | Very low | 29.9 | Very low | 115 Ų | 115 | 109.2 Ų | 109.2 | 71% | 0.706 | 66% | 0.664 | S | S | * | * | | | | -167.2 | 114.2 | 115.8 | 13.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 961 | T | 32 | Very low | 30 | Very low | 73 Ų | 73 | 109.6 Ų | 109.6 | 45% | 0.448 | 67% | 0.665 | S | S | . | * | | | | 70.5 | 144 | 102.1 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | I2515 | T961-I2515 HydrophobicContact CG2-CG2 4.18Š|
| 962 | T | 35 | Very low | 30.2 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | | | cis | -162.2 | 152.9 | 16.6 | -8.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 963 | T | 32.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 111.6 Ų | 111.6 | 69% | 0.687 | 66% | 0.659 | S | S | * | * | | | trans | 32.9 | 126.9 | 144.6 | 51.9 | 0 | 0 | 0 | 0 | 121 | | |
| 964 | S | 29.3 | Very low | 30.5 | Very low | 74 Ų | 74 | 111 Ų | 111 | 52% | 0.517 | 66% | 0.655 | S | S | . | * | | | | 61.6 | 146.5 | 67.6 | 83.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 965 | S | 33.6 | Very low | 30.5 | Very low | 92 Ų | 92 | 112.5 Ų | 112.5 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | | | cis | -163.4 | -171.8 | 32.5 | 53.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 966 | S | 34.8 | Very low | 30.4 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | | | trans | 71 | 147.9 | 145.6 | 45.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 967 | V | 35.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 112.5 Ų | 112.5 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | | | cis | -158.9 | 132.1 | 4.5 | 105.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 968 | E | 32.2 | Very low | 30.7 | Very low | 172 Ų | 172 | 113.8 Ų | 113.8 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | | | | 71.4 | 155.6 | 113.2 | -79.6 | 177.7 | 168.6 | 0 | 0 | 117.1 | | |
| 969 | S | 34.2 | Very low | 30.8 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 64% | 0.643 | 66% | 0.655 | S | S | * | * | | | cis | -164.5 | -168.9 | -9.3 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 970 | T | 31.4 | Very low | 31.1 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 66% | 0.663 | 68% | 0.676 | S | S | * | * | | | cis | -163.2 | 140 | 15.9 | -9.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 971 | L | 31.1 | Very low | 31.1 | Very low | 144 Ų | 144 | 119 Ų | 119 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | | | | 48.8 | 158.3 | 129.4 | -90.3 | 56.7 | 0 | 0 | 0 | 122.1 | | |
| 972 | D | 31.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 57% | 0.572 | 68% | 0.684 | S | S | * | * | | | cis | -161.1 | 167.4 | 1.1 | -139.2 | -13.5 | 0 | 0 | 0 | 114 | | |
| 973 | Q | 31.3 | Very low | 30.8 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 74% | 0.738 | 68% | 0.684 | S | S | * | * | | | trans | 56.9 | 163.7 | 146.6 | -78.6 | 173.6 | 67.3 | 0 | 0 | 121.1 | | |
| 974 | V | 25.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | | | cis | -160.6 | 154.6 | -33.2 | 121.1 | 0 | 0 | 0 | 0 | 109.3 | | |
| 975 | D | 26.1 | Very low | 31 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 71% | 0.711 | 68% | 0.679 | S | S | * | * | | | trans | 59.7 | 141.8 | 161.1 | -84.8 | 5.6 | 0 | 0 | 0 | 124.8 | | |
| 976 | N | 25.5 | Very low | 31 | Very low | 135 Ų | 135 | 126 Ų | 126 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | | | trans | 72.7 | 144.8 | 148.4 | -79.4 | -56.2 | 0 | 0 | 0 | 122.2 | | |
| 977 | N | 29 | Very low | 30.9 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | | | trans | 70.8 | 120.9 | 163.5 | -72.4 | -57.6 | 0 | 0 | 0 | 120.8 | | |
| 978 | K | 30.4 | Very low | 30.9 | Very low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | | | trans | 68.3 | 112.3 | 134.1 | -70.2 | -176.5 | 177.4 | 177.3 | 0 | 120.9 | | |
| 979 | N | 28.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | | | | 80.9 | 134 | 116.9 | -66.3 | 10.6 | 0 | 0 | 0 | 121.1 | | |
| 980 | I | 29.6 | Very low | 31 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | | | trans | 68.1 | 121.2 | 130.9 | -68.8 | 171.1 | 0 | 0 | 0 | 116 | | |
| 981 | C | 33.6 | Very low | 31.2 | Very low | 96 Ų | 96 | 128 Ų | 128 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | | | cis | -152 | 145.7 | 1.8 | -107.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 982 | D | 31.5 | Very low | 31.5 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 69% | 0.689 | S | S | * | * | | | | 65.1 | 135.7 | 69.7 | -58.4 | -41.9 | 0 | 0 | 0 | 113 | | |
| 983 | T | 30.3 | Very low | 31.9 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.644 | 70% | 0.703 | S | S | * | * | | | cis | -170.3 | 172.9 | 4.3 | 12.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 984 | D | 31.8 | Very low | 32.2 | Very low | 94 Ų | 94 | 127 Ų | 127 | 50% | 0.503 | 70% | 0.704 | S | S | . | * | | | trans | 80.1 | 151.6 | 138.3 | -77.3 | 7.5 | 0 | 0 | 0 | 122.5 | K1029 | D984-K1029 CarbonylContact C-O 3.53Š|
| 985 | K | 33.4 | Very low | 32.7 | Very low | 140 Ų | 140 | 127.4 Ų | 127.4 | 61% | 0.609 | 71% | 0.707 | S | S | * | * | | | cis | -154.2 | 165.3 | -23.9 | -124.8 | 173.3 | -167.6 | 82.6 | 0 | 112 | K1029 | K985-K1029 PolarHBondContact N-O 3.46Š|
| 986 | N | 32.8 | Very low | 33 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | | | trans | -80 | 173.5 | 172.6 | -75.6 | -48.5 | 0 | 0 | 0 | 112.1 | | |
| 987 | I | 34 | Very low | 33.1 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 65% | 0.646 | 71% | 0.705 | S | S | * | * | | | | -174.3 | 134.9 | 88.6 | -89.2 | 161.9 | 0 | 0 | 0 | 111 | | |
| 988 | T | 35 | Very low | 33.1 | Very low | 111 Ų | 111 | 121.3 Ų | 121.3 | 68% | 0.681 | 69% | 0.686 | S | S | * | * | | | trans | 21.4 | 140.4 | 160.8 | 62.4 | 0 | 0 | 0 | 0 | 121.4 | | |
| 989 | N | 32.9 | Very low | 32.7 | Very low | 142 Ų | 142 | 115.5 Ų | 115.5 | 76% | 0.759 | 67% | 0.665 | S | S | * | * | | | cis | -162.2 | -168.9 | -2.6 | -94.5 | -17.5 | 0 | 0 | 0 | 106.3 | | |
| 990 | T | 34.9 | Very low | 32.7 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 78% | 0.779 | 66% | 0.658 | S | S | * | * | | | cis | -152.4 | 168.2 | 11.2 | -30.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 991 | T | 36.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 110.4 Ų | 110.4 | 75% | 0.748 | 65% | 0.648 | S | S | * | * | | | trans | -145 | 157 | -174.6 | 51.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 992 | T | 37 | Very low | 32.5 | Very low | 123 Ų | 123 | 110.4 Ų | 110.4 | 76% | 0.755 | 64% | 0.64 | S | S | * | * | | | cis | -161.5 | 169.9 | -11.1 | 17.5 | 0 | 0 | 0 | 0 | 110 | | |
| 993 | T | 39 | Very low | 32.7 | Very low | 141 Ų | 141 | 115.2 Ų | 115.2 | 87% | 0.865 | 65% | 0.649 | S | S | * | * | | | trans | -56.9 | 159.1 | 161 | 27.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 994 | T | 39 | Very low | 32.8 | Very low | 124 Ų | 124 | 116.4 Ų | 116.4 | 76% | 0.761 | 65% | 0.651 | S | S | * | * | | | trans | -116.1 | 155.2 | 174.1 | 53.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 995 | T | 35 | Very low | 32.7 | Very low | 121 Ų | 121 | 116.5 Ų | 116.5 | 74% | 0.742 | 66% | 0.66 | S | S | * | * | | | cis | -161.5 | 167.6 | -20.1 | 24.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 996 | T | 32.6 | Very low | 32.5 | Very low | 105 Ų | 105 | 114.3 Ų | 114.3 | 64% | 0.644 | 66% | 0.662 | S | S | * | * | | | cis | -134.4 | 118.9 | 18.3 | 50.6 | 0 | 0 | 0 | 0 | 112 | | |
| 997 | T | 28.5 | Very low | 32.4 | Very low | 120 Ų | 120 | 114 Ų | 114 | 74% | 0.736 | 66% | 0.66 | S | S | * | * | S | Bend | | -75.2 | 166.8 | 118.3 | -42.5 | 0 | 0 | 0 | 0 | 107.3 | V999 | T997-V999 PolarHBondContact O-N 3.48Š|
| 998 | C | 27.9 | Very low | 32.3 | Very low | 51 Ų | 51 | 114.7 Ų | 114.7 | 35% | 0.345 | 66% | 0.66 | S | S | . | * | | | trans | -54.5 | 128.1 | 164.3 | -63.5 | 0 | 0 | 0 | 0 | 109.7 | K2526 | C998-K2526 HydrophobicContact CB-CB 3.5Å; C998-K2526 HydrophobicContact CB-CD 4.04Å; C998-K2526 HydrophobicContact CB-CG 3.5Å; C998-K2526 VanDerWaalsContact CB-CG 3.5Å; C998-K2526 WeakPolarHBondContact SG-CD 3.4Å; C998-K2526 VanDerWaalsContact SG-CE 3.52Å; C998-K2526 VanDerWaalsContact SG-CG 3.54Å |
| 999 | V | 23.2 | Very low | 32 | Very low | 44 Ų | 44 | 116.4 Ų | 116.4 | 27% | 0.267 | 66% | 0.66 | S | S | . | * | | | | 84.9 | 113.9 | 54.7 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | T997 I2527 D2528 R2529 | T997-V999 PolarHBondContact O-N 3.48Å; V999-I2527 CarbonylContact C-O 3.45Å; V999-I2527 CarbonylContact O-C 3.03Å; V999-I2527 PolarHBondContact O-N 2.84Å; V999-D2528 WeakPolarHBondContact CG1-O 3.42Å; V999-R2529 WeakPolarHBondContact CG1-O 3.49Å; V999-R2529 VanDerWaalsContact CG2-O 3.29Å; V999-R2529 WeakPolarHBondContact CG2-O 3.26Å |
| 1000 | T | 27.5 | Very low | 31.8 | Very low | 87 Ų | 87 | 115.7 Ų | 115.7 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | | | trans | 8.3 | -164.9 | -167.4 | 89.6 | 0 | 0 | 0 | 0 | 121 | I2527 D2528 | T1000-I2527 CarbonylContact C-O 3.5Å; T1000-I2527 VanDerWaalsContact CA-O 3.23Å; T1000-I2527 WeakPolarHBondContact CA-O 3.17Å; T1000-I2527 WeakPolarHBondContact CB-O 3.32Å; T1000-I2527 PolarHBondContact N-O 3.29Å; T1000-I2527 VanDerWaalsContact N-O 3.1Å; T1000-I2527 PolarHBondContact OG1-O 2.81Å; T1000-D2528 WeakPolarHBondContact CB-O 3.31Å; T1000-D2528 WeakPolarHBondContact CG2-O 3.29Å; T1000-D2528 PolarHBondContact N-O 3.31Å; T1000-D2528 PolarHBondContact OG1-O 2.96Å |
| 1001 | S | 31.5 | Very low | 31.3 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | | | cis | -127.2 | 128.4 | 17.3 | -107.7 | 0 | 0 | 0 | 0 | 114 | I2527 | S1001-I2527 WeakPolarHBondContact OG-CG2 3.25Š|
| 1002 | I | 29.1 | Very low | 30.8 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 49% | 0.492 | 66% | 0.656 | S | S | . | * | | | | 65.4 | 103.5 | 90 | -61.6 | 173 | 0 | 0 | 0 | 113.3 | | |
| 1003 | R | 35 | Very low | 30.4 | Very low | 229 Ų | 229 | 116.1 Ų | 116.1 | 86% | 0.864 | 65% | 0.651 | S | S | * | * | | | | -151.3 | 132.6 | 104.8 | -93.3 | 177.4 | -176.4 | 175.4 | 1.2 | 107.2 | | |
| 1004 | N | 32.5 | Very low | 29.7 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | | | | 66.4 | 132.2 | 68.6 | -62.6 | 16.6 | 0 | 0 | 0 | 112 | | |
| 1005 | S | 30 | Very low | 29 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 65% | 0.649 | S | S | * | * | | | cis | -171.4 | 175.2 | -5.9 | 47.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1006 | S | 29.5 | Very low | 28.6 | Very low | 93 Ų | 93 | 119.2 Ų | 119.2 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | | | trans | 56.2 | 128.7 | 144 | 55.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 1007 | N | 30.6 | Very low | 28.2 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | | | cis | -154.5 | -147.9 | 4.3 | -90.1 | -9.4 | 0 | 0 | 0 | 106.1 | | |
| 1008 | H | 30.3 | Very low | 28.3 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 65% | 0.653 | 65% | 0.651 | S | S | * | * | | | cis | -152.8 | 139.6 | 4.2 | -107.9 | -72.8 | 0 | 0 | 0 | 109.7 | | |
| 1009 | E | 28.8 | Very low | 28.2 | Very low | 147 Ų | 147 | 129.2 Ų | 129.2 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | | | trans | 58.3 | 142.5 | 138.1 | -88.6 | 160.1 | -121.1 | 0 | 0 | 126.2 | | |
| 1010 | I | 28.7 | Very low | 28.2 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | | | trans | 88.5 | 99.5 | 140 | -69.5 | 163.6 | 0 | 0 | 0 | 121 | | |
| 1011 | F | 25 | Very low | 28.3 | Very low | 179 Ų | 179 | 140.9 Ų | 140.9 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | | | trans | 54.8 | 139.2 | 132.9 | -75.4 | -93.2 | 0 | 0 | 0 | 125.3 | | |
| 1012 | T | 27.3 | Very low | 28 | Very low | 122 Ų | 122 | 143 Ų | 143 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | | | trans | 65.8 | 110.5 | 146.3 | 41.6 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1013 | A | 26.7 | Very low | 28 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 65% | 0.653 | 72% | 0.717 | S | S | * | * | | | | 63.2 | 120.2 | 113.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 1014 | D | 24.7 | Very low | 27.6 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | | | | 71.3 | 106.6 | 128.3 | -58.5 | 8 | 0 | 0 | 0 | 120.4 | | |
| 1015 | E | 25.6 | Very low | 27.2 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | | | trans | 80.2 | 130.7 | 148.4 | -46.7 | -63 | -162.2 | 0 | 0 | 122.8 | | |
| 1016 | D | 26.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | | | trans | 70.8 | 108.2 | 145.6 | -77.5 | -29.1 | 0 | 0 | 0 | 123.4 | | |
| 1017 | Y | 24.5 | Very low | 26.9 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 69% | 0.694 | 70% | 0.697 | S | S | * | * | | | | 97 | 154.8 | 124.1 | -113.3 | -89.7 | 0 | 0 | 0 | 121.8 | | |
| 1018 | W | 28.9 | Very low | 26.6 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 76% | 0.758 | 69% | 0.689 | S | S | * | * | | | trans | 81.4 | 90.2 | 168.7 | -55.5 | 104.5 | 0 | 0 | 0 | 120.2 | | |
| 1019 | D | 25.5 | Very low | 26.5 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | | | | 81.5 | 123 | 115.8 | -78.7 | 23.1 | 0 | 0 | 0 | 125.7 | | |
| 1020 | L | 25 | Very low | 26.3 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | | | | 59.6 | 90.1 | 126.8 | -58.8 | 174.6 | 0 | 0 | 0 | 120 | | |
| 1021 | R | 28.2 | Very low | 26.2 | Very low | 242 Ų | 242 | 136.8 Ų | 136.8 | 91% | 0.913 | 68% | 0.683 | S | S | * | * | | | | -153.2 | 112.1 | 119.8 | -114.3 | 164.9 | -78.4 | -173.8 | -4.6 | 108.2 | | |
| 1022 | D | 26.4 | Very low | 26.2 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | | | cis | 64.6 | 124 | 42.3 | -162.5 | 43.7 | 0 | 0 | 0 | 114 | | |
| 1023 | N | 27.5 | Very low | 26.2 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | | | trans | 59 | 151.4 | 175.1 | -79.3 | -73.8 | 0 | 0 | 0 | 119.7 | | |
| 1024 | S | 26.7 | Very low | 26.1 | Very low | 81 Ų | 81 | 138.2 Ų | 138.2 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | | | cis | -170.2 | 166.3 | -37.6 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1025 | N | 24.4 | Very low | 26.4 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | | | trans | 67.2 | 141.8 | 140.4 | -93.1 | -31.5 | 0 | 0 | 0 | 122.4 | | |
| 1026 | C | 28.3 | Very low | 26.6 | Very low | 76 Ų | 76 | 136.5 Ų | 136.5 | 51% | 0.514 | 68% | 0.68 | S | S | . | * | | | trans | 77.9 | 144.2 | 139.2 | -73.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 1027 | Q | 25.3 | Very low | 26.7 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 63% | 0.631 | 68% | 0.681 | S | S | * | * | | | cis | -175.3 | 135.2 | -28.3 | -124.1 | -174 | 24.1 | 0 | 0 | 108.4 | | |
| 1028 | H | 25.3 | Very low | 26.9 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 53% | 0.528 | 68% | 0.681 | S | S | . | * | | | trans | 54.8 | -171.2 | 153.7 | -67 | -54.6 | 0 | 0 | 0 | 115.7 | | |
| 1029 | K | 27.1 | Very low | 27 | Very low | 120 Ų | 120 | 130.2 Ų | 130.2 | 52% | 0.522 | 68% | 0.677 | S | S | . | * | | | cis | -135.6 | 138.1 | -8.2 | -131 | 132.2 | -178.7 | -178.8 | 0 | 104.9 | D984 K985 | D984-K1029 CarbonylContact C-O 3.53Å; K985-K1029 PolarHBondContact N-O 3.46Å |
| 1030 | L | 25.7 | Very low | 27.2 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 69% | 0.686 | 69% | 0.685 | S | S | * | * | | | | 63.9 | 130.6 | 84 | -147 | 84.2 | 0 | 0 | 0 | 110.7 | | |
| 1031 | I | 26.1 | Very low | 27.5 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 67% | 0.672 | 69% | 0.687 | S | S | * | * | | | | -177.3 | 132.2 | 93.5 | -95.6 | 159.2 | 0 | 0 | 0 | 112.9 | | |
| 1032 | I | 25.1 | Very low | 27.6 | Very low | 136 Ų | 136 | 126.4 Ų | 126.4 | 70% | 0.697 | 68% | 0.683 | S | S | * | * | | | trans | 38.4 | 123 | 133.3 | -43.5 | 174.3 | 0 | 0 | 0 | 117.3 | | |
| 1033 | Q | 27.3 | Very low | 27.9 | Very low | 183 Ų | 183 | 123.7 Ų | 123.7 | 86% | 0.855 | 68% | 0.683 | S | S | * | * | | | | -179 | 169.5 | 82.8 | -159.2 | 173.7 | 145.7 | 0 | 0 | 111.6 | | |
| 1034 | S | 23.7 | Very low | 28 | Very low | 91 Ų | 91 | 124.7 Ų | 124.7 | 64% | 0.636 | 69% | 0.694 | S | S | * | * | | | | -159.5 | -151.5 | -63.3 | 78.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1035 | S | 31.5 | Very low | 28.2 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | | | trans | 74.4 | 138.9 | 179 | 83.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1036 | K | 29.5 | Very low | 28.6 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | | | cis | -156.6 | 131.1 | 0.1 | -134.8 | 175.7 | -176.9 | -179.3 | 0 | 112.4 | | |
| 1037 | M | 29.3 | Very low | 28.7 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 74% | 0.739 | 71% | 0.708 | S | S | * | * | | | trans | 65 | 140.8 | 154.7 | -71.4 | 162 | 157.6 | 0 | 0 | 118.7 | | |
| 1038 | D | 28.2 | Very low | 28.8 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | cis | -151.1 | 167.2 | 2.5 | -116.1 | -28.3 | 0 | 0 | 0 | 114.4 | | |
| 1039 | S | 30.4 | Very low | 29 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | | | trans | 5.8 | 147.2 | 160.6 | 49.4 | 0 | 0 | 0 | 0 | 122.8 | | |
| 1040 | T | 31 | Very low | 29.1 | Very low | 121 Ų | 121 | 125.8 Ų | 125.8 | 74% | 0.742 | 72% | 0.718 | S | S | * | * | | | cis | -167.6 | 152.7 | 3.9 | 12.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1041 | I | 31.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 124.4 Ų | 124.4 | 75% | 0.749 | 72% | 0.719 | S | S | * | * | | | trans | 78.9 | 109.4 | 147.3 | -64.9 | 161.4 | 0 | 0 | 0 | 122.1 | | |
| 1042 | V | 30.6 | Very low | 29.4 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | | | trans | 32.4 | 136.1 | 134 | -166.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 1043 | G | 32.6 | Very low | 29.5 | Very low | 62 Ų | 62 | 125 Ų | 125 | 64% | 0.639 | 73% | 0.725 | S | S | * | * | | | cis | 151 | 155.6 | -8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1044 | V | 29.2 | Very low | 29.6 | Very low | 153 Ų | 153 | 124.6 Ų | 124.6 | 93% | 0.927 | 73% | 0.728 | S | S | * | * | | | trans | 73.5 | 146 | 171.4 | 179.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 1045 | A | 31 | Very low | 29.6 | Very low | 82 Ų | 82 | 125.4 Ų | 125.4 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | | | cis | -167.2 | -160.4 | -26.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 1046 | D | 31.4 | Very low | 29.4 | Very low | 139 Ų | 139 | 126.2 Ų | 126.2 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | | | cis | -154.9 | -122.3 | 5.1 | -160.8 | -99.9 | 0 | 0 | 0 | 113.5 | | |
| 1047 | T | 30.3 | Very low | 29 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -139.4 | 166.8 | -162.9 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1048 | S | 29.2 | Very low | 28.7 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 71% | 0.711 | S | S | * | * | | | cis | -162.2 | 174.9 | -22.7 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1049 | K | 29.7 | Very low | 28.5 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 58% | 0.578 | 70% | 0.701 | S | S | * | * | | | trans | -81.4 | 171.7 | -174.2 | -77.2 | 162.1 | 148.8 | -74.9 | 0 | 114.4 | I1119 S1120 | K1049-I1119 PolarHBondContact NZ-O 3.11Å; K1049-S1120 PolarHBondContact NZ-OG 2.84Å |
| 1050 | E | 28.3 | Very low | 28.2 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 49% | 0.491 | 70% | 0.695 | S | S | . | * | | | cis | -165.3 | 158.2 | -3.7 | -119.9 | 160.9 | 148.2 | 0 | 0 | 110.7 | S1120 | E1050-S1120 WeakPolarHBondContact OE1-CB 3.41Å; E1050-S1120 PolarHBondContact OE1-OG 3.11Å; E1050-S1120 PolarHBondContact OE2-OG 3.12Å |
| 1051 | S | 30.7 | Very low | 27.9 | Very low | 101 Ų | 101 | 116 Ų | 116 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | trans | 31.1 | 146.1 | 148.5 | 67.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1052 | D | 27.9 | Very low | 27.9 | Very low | 138 Ų | 138 | 114 Ų | 114 | 74% | 0.738 | 69% | 0.692 | S | S | * | * | | | cis | -169.8 | 171.6 | 26.4 | -141.1 | -7.4 | 0 | 0 | 0 | 115 | | |
| 1053 | N | 25.7 | Very low | 27.5 | Very low | 142 Ų | 142 | 111.8 Ų | 111.8 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | | | trans | 65.2 | 115.2 | 161.4 | -66.8 | -62.4 | 0 | 0 | 0 | 122.9 | | |
| 1054 | L | 30.5 | Very low | 27.5 | Very low | 175 Ų | 175 | 115.3 Ų | 115.3 | 92% | 0.916 | 69% | 0.687 | S | S | * | * | | | trans | -158.2 | 152.5 | 139.4 | -155 | 73 | 0 | 0 | 0 | 112 | | |
| 1055 | C | 24.3 | Very low | 27.3 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 73% | 0.73 | 67% | 0.674 | S | S | * | * | | | trans | -85.4 | 152.9 | 161.3 | -69 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1056 | V | 26.5 | Very low | 27.4 | Very low | 123 Ų | 123 | 114.3 Ų | 114.3 | 75% | 0.745 | 68% | 0.677 | S | S | * | * | | | | -177.8 | 147.9 | 126.3 | 143.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1057 | M | 21.9 | Very low | 27.5 | Very low | 123 Ų | 123 | 115.2 Ų | 115.2 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | | | trans | -56.6 | 142.9 | 173.8 | 174.7 | -173.2 | 68.5 | 0 | 0 | 114.6 | L1359 | M1057-L1359 WeakPolarHBondContact O-CD2 3.31Š|
| 1058 | T | 22 | Very low | 27.4 | Very low | 75 Ų | 75 | 115.1 Ų | 115.1 | 46% | 0.46 | 67% | 0.671 | S | S | . | * | | | trans | 61.6 | 161.6 | 170.1 | 38.2 | 0 | 0 | 0 | 0 | 115.7 | R1301 L1359 | T1058-R1301 VanDerWaalsContact N-NH2 3.17Å; T1058-L1359 WeakPolarHBondContact OG1-CD1 3.24Å; T1058-L1359 VanDerWaalsContact OG1-CD2 3.29Å; T1058-L1359 WeakPolarHBondContact OG1-CD2 3.12Å |
| 1059 | G | 23.8 | Very low | 27.4 | Very low | 48 Ų | 48 | 112.3 Ų | 112.3 | 50% | 0.495 | 65% | 0.645 | S | S | . | * | | | cis | 162.8 | 164.8 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1060 | A | 23.7 | Very low | 27.3 | Very low | 66 Ų | 66 | 108.7 Ų | 108.7 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | | | trans | 69.3 | 127 | -158.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1061 | I | 24.9 | Very low | 27.1 | Very low | 149 Ų | 149 | 107.5 Ų | 107.5 | 76% | 0.764 | 64% | 0.637 | S | S | * | * | | | | 73.6 | 134.2 | 52.5 | -61.2 | 163 | 0 | 0 | 0 | 109.8 | | |
| 1062 | P | 31.2 | Very low | 27 | Very low | 103 Ų | 103 | 108.5 Ų | 108.5 | 67% | 0.669 | 63% | 0.628 | S | S | * | * | | | cis | -102.4 | 177.4 | 11.1 | 26.2 | -5.2 | 0 | 0 | 0 | 112.3 | | |
| 1063 | S | 23.8 | Very low | 26.9 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | | | | 55.5 | 142.4 | 52.4 | -21 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1064 | D | 31.5 | Very low | 26.9 | Very low | 136 Ų | 136 | 107.4 Ų | 107.4 | 73% | 0.727 | 63% | 0.627 | S | S | * | * | | | cis | -128.1 | 141 | 16.5 | -86.1 | -68.8 | 0 | 0 | 0 | 110.1 | | |
| 1065 | S | 25.3 | Very low | 26.8 | Very low | 94 Ų | 94 | 103.9 Ų | 103.9 | 66% | 0.657 | 62% | 0.617 | S | S | * | * | | | | 77.4 | 172.9 | 61 | 98.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1066 | V | 32.7 | Very low | 27.1 | Very low | 120 Ų | 120 | 104.6 Ų | 104.6 | 73% | 0.727 | 62% | 0.62 | S | S | * | * | | | trans | 73.4 | 117.8 | -155.4 | -175.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1067 | E | 33.4 | Very low | 27.1 | Very low | 159 Ų | 159 | 109 Ų | 109 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | | | cis | -146.4 | 134.7 | 3.7 | -107.8 | 167.7 | 154.7 | 0 | 0 | 110.3 | | |
| 1068 | L | 28.1 | Very low | 27.5 | Very low | 113 Ų | 113 | 108.3 Ų | 108.3 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | | | | 72.6 | 150.7 | 84.8 | -79.7 | 59.4 | 0 | 0 | 0 | 113.9 | | |
| 1069 | H | 30.5 | Very low | 27.7 | Very low | 56 Ų | 56 | 109.3 Ų | 109.3 | 26% | 0.259 | 64% | 0.639 | S | S | . | * | | | cis | -166.5 | 152.2 | -2.9 | -104.4 | -28.8 | 0 | 0 | 0 | 107.5 | W1275 N1276 C1277 T1278 | H1069-W1275 VanDerWaalsContact O-CD2 3.25Å; H1069-W1275 WeakPolarHBondContact O-CZ3 3.3Å; H1069-N1276 PolarHBondContact O-OD1 2.78Å; H1069-C1277 PolarHBondContact CD2-SG 3.37Å; H1069-T1278 WeakPolarHBondContact NE2-CG2 3.16Å |
| 1070 | T | 27.6 | Very low | 27.9 | Very low | 57 Ų | 57 | 114.8 Ų | 114.8 | 35% | 0.35 | 65% | 0.652 | S | S | . | * | | | cis | -153.4 | -86.8 | -25.1 | -50.2 | 0 | 0 | 0 | 0 | 112 | W1275 | T1070-W1275 PolarHBondContact O-NE1 3.45Š|
| 1071 | C | 23.3 | Very low | 28.1 | Very low | 79 Ų | 79 | 118.6 Ų | 118.6 | 53% | 0.534 | 66% | 0.662 | S | S | . | * | | | trans | -158.4 | -169.3 | -163.6 | -84.7 | 0 | 0 | 0 | 0 | 111.4 | N1276 | C1071-N1276 CarbonylContact O-C 3.48Å; C1071-N1276 PolarHBondContact O-N 3.32Å; C1071-N1276 VanDerWaalsContact O-O 3.05Å |
| 1072 | K | 28.3 | Very low | 28.1 | Very low | 123 Ų | 123 | 117 Ų | 117 | 54% | 0.535 | 66% | 0.655 | S | S | . | * | | | trans | 69.2 | 156.4 | 164.2 | -79.4 | -175 | 159.7 | -153 | 0 | 117.3 | | |
| 1073 | E | 25.7 | Very low | 28 | Very low | 139 Ų | 139 | 119.8 Ų | 119.8 | 65% | 0.65 | 66% | 0.659 | S | S | * | * | | | cis | -151 | 160.2 | 4.3 | -143.7 | 163.5 | -143.3 | 0 | 0 | 116.8 | | |
| 1074 | S | 26.7 | Very low | 28.1 | Very low | 117 Ų | 117 | 124.1 Ų | 124.1 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | | | trans | 85 | 156 | 146.7 | 78.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1075 | S | 28.6 | Very low | 27.8 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 67% | 0.665 | S | S | * | * | | | trans | -136 | 177 | -179.7 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1076 | P | 29.9 | Very low | 27.7 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 80% | 0.799 | 67% | 0.668 | S | S | * | * | | | | -149.8 | 163.8 | 101.8 | 39 | -22.3 | 0 | 0 | 0 | 117.6 | | |
| 1077 | Y | 25.4 | Very low | 27.4 | Very low | 215 Ų | 215 | 123.6 Ų | 123.6 | 84% | 0.843 | 66% | 0.66 | S | S | * | * | | | trans | -71.1 | 176.5 | 161.8 | -95.7 | -92.1 | 0 | 0 | 0 | 111.3 | | |
| 1078 | P | 31.7 | Very low | 27.3 | Very low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 65% | 0.651 | S | S | * | * | | | cis | -153.3 | -170.8 | 40.9 | 44.6 | -21.7 | 0 | 0 | 0 | 119.8 | | |
| 1079 | C | 26.4 | Very low | 27.2 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | | | trans | 75.3 | 139.6 | 161.3 | -61.9 | 0 | 0 | 0 | 0 | 118.3 | | |
| 1080 | E | 27.8 | Very low | 26.9 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.762 | 66% | 0.66 | S | S | * | * | | | cis | -158.7 | 153.5 | -4.4 | -125.3 | 163.1 | -132.2 | 0 | 0 | 114 | | |
| 1081 | L | 27 | Very low | 26.7 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | | | trans | 20 | 148.2 | 143.5 | -92.6 | 66.4 | 0 | 0 | 0 | 122.4 | | |
| 1082 | N | 25.3 | Very low | 27 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | | | cis | -169.6 | 179.4 | -2.4 | -148.7 | -16 | 0 | 0 | 0 | 113.6 | | |
| 1083 | Q | 29.6 | Very low | 26.9 | Very low | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 69% | 0.692 | S | S | * | * | | | trans | 83.6 | 82.9 | 151.3 | -71.9 | 173.6 | 7.4 | 0 | 0 | 124 | | |
| 1084 | F | 24.9 | Very low | 26.9 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 80% | 0.803 | 69% | 0.693 | S | S | * | * | | | | 58 | 135.5 | 112.1 | -78.7 | -69.6 | 0 | 0 | 0 | 127.5 | | |
| 1085 | T | 25.2 | Very low | 26.9 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 69% | 0.687 | S | S | * | * | | | trans | 91 | 104.2 | 139.6 | 44.4 | 0 | 0 | 0 | 0 | 126 | | |
| 1086 | N | 24.6 | Very low | 26.7 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | | | | 83.2 | 94.5 | 121 | -63.8 | -6.1 | 0 | 0 | 0 | 126.3 | | |
| 1087 | T | 25.2 | Very low | 26.4 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 56% | 0.564 | 68% | 0.684 | S | S | * | * | | | | 47.9 | -174.8 | 107 | 65.6 | 0 | 0 | 0 | 0 | 122.7 | | |
| 1088 | P | 31.9 | Very low | 26.4 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 55% | 0.552 | 68% | 0.676 | S | S | * | * | | | cis | -126.6 | 166.2 | -24.5 | 38.5 | -24.6 | 0 | 0 | 0 | 113.7 | P1165 R1166 | P1088-P1165 VanDerWaalsContact CA-CD 3.42Å; P1088-R1166 WeakPolarHBondContact O-CB 3.38Å; P1088-R1166 WeakPolarHBondContact O-CD 3.25Å |
| 1089 | F | 24.9 | Very low | 26.1 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 63% | 0.632 | 68% | 0.679 | S | S | * | * | | | cis | -154.8 | 165.8 | -5 | -166.6 | -101 | 0 | 0 | 0 | 108.9 | P1165 R1166 | F1089-P1165 VanDerWaalsContact N-CG 3.31Å; F1089-R1166 VanDerWaalsContact O-CD 3.22Å; F1089-R1166 WeakPolarHBondContact O-CD 3.38Å; F1089-R1166 VanDerWaalsContact O-CG 3.24Å; F1089-R1166 WeakPolarHBondContact O-CG 3.02Å; F1089-R1166 PolarHBondContact O-NE 2.9Å; F1089-R1166 PolarHBondContact O-NH1 2.85Å |
| 1090 | I | 25.4 | Very low | 26.1 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 42% | 0.421 | 69% | 0.688 | S | S | . | * | | | trans | 74.9 | 158.9 | 173.2 | -125.5 | 172.9 | 0 | 0 | 0 | 116.4 | | |
| 1091 | Y | 22.3 | Very low | 26.5 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | | | cis | -140.9 | -147.8 | 13.2 | -130.8 | -36.5 | 0 | 0 | 0 | 111.2 | | |
| 1092 | P | 31.1 | Very low | 26.4 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | | | cis | -131.6 | -119.8 | 4.1 | 41.8 | -18.4 | 0 | 0 | 0 | 116.4 | | |
| 1093 | H | 25.4 | Very low | 26.5 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 61% | 0.611 | 68% | 0.684 | S | S | * | * | | | trans | -140.6 | 139.4 | -165 | -99.4 | -76.8 | 0 | 0 | 0 | 117.8 | | |
| 1094 | F | 25.7 | Very low | 26.3 | Very low | 154 Ų | 154 | 130 Ų | 130 | 68% | 0.675 | 68% | 0.683 | S | S | * | * | | | trans | 60.8 | 155.4 | 147.6 | -68.2 | -41.7 | 0 | 0 | 0 | 122.1 | | |
| 1095 | Y | 27.1 | Very low | 26.5 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | | | cis | -153.4 | 134.5 | -4.1 | -127.5 | -58.2 | 0 | 0 | 0 | 111.7 | | |
| 1096 | L | 24.3 | Very low | 26.4 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | | | trans | 39 | 135.4 | 152 | -98.9 | 55.8 | 0 | 0 | 0 | 126.5 | | |
| 1097 | S | 23.5 | Very low | 26.4 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 68% | 0.678 | 68% | 0.683 | S | S | * | * | | | | 104 | 112.8 | 125.2 | -71.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 1098 | S | 24.5 | Very low | 26.3 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | | | | 84.3 | 115.2 | 124.4 | 66.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 1099 | I | 25.4 | Very low | 25.9 | Very low | 150 Ų | 150 | 140 Ų | 140 | 77% | 0.769 | 69% | 0.689 | S | S | * | * | | | trans | 82.9 | 104.3 | 134.9 | -62.2 | 166.7 | 0 | 0 | 0 | 119.8 | | |
| 1100 | E | 27.4 | Very low | 25.9 | Very low | 177 Ų | 177 | 139.9 Ų | 139.9 | 83% | 0.827 | 69% | 0.694 | S | S | * | * | | | | 46.1 | 173 | 109.7 | -106.4 | -173.1 | -145 | 0 | 0 | 122 | | |
| 1101 | P | 36 | Very low | 25.8 | Very low | 93 Ų | 93 | 144.1 Ų | 144.1 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | | | cis | -139.6 | -172.7 | -11.6 | 38.4 | -19 | 0 | 0 | 0 | 116.9 | | |
| 1102 | S | 25.5 | Very low | 25.9 | Very low | 93 Ų | 93 | 143.9 Ų | 143.9 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | | | trans | 86.1 | 160.5 | 147.7 | 86.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1103 | Q | 26.1 | Very low | 25.6 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | | | cis | -153.3 | 173 | 25.9 | -153 | 157 | 112.6 | 0 | 0 | 116.5 | | |
| 1104 | C | 26.8 | Very low | 25.5 | Very low | 111 Ų | 111 | 153 Ų | 153 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | | | trans | 85.5 | 142.5 | -176.2 | -63.4 | 0 | 0 | 0 | 0 | 114 | | |
| 1105 | I | 27.4 | Very low | 25.4 | Very low | 146 Ų | 146 | 150.6 Ų | 150.6 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | cis | -162.4 | 153.9 | -7.1 | -119.3 | -179.5 | 0 | 0 | 0 | 107.9 | | |
| 1106 | Y | 23.5 | Very low | 25.3 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 66% | 0.659 | 74% | 0.738 | S | S | * | * | | | cis | -158.2 | 133.6 | -8.9 | -163.1 | -138.3 | 0 | 0 | 0 | 112.2 | | |
| 1107 | R | 25.4 | Very low | 25.3 | Very low | 207 Ų | 207 | 147.9 Ų | 147.9 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | | | trans | 60.7 | -174.1 | 159.2 | -70.9 | -171.2 | 179.1 | -164.5 | 0.4 | 118.9 | | |
| 1108 | H | 23.5 | Very low | 25.5 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | trans | -160.7 | 149.2 | -130.4 | -176.2 | -120.4 | 0 | 0 | 0 | 113.8 | | |
| 1109 | R | 23.4 | Very low | 25.6 | Very low | 144 Ų | 144 | 150.6 Ų | 150.6 | 54% | 0.543 | 74% | 0.744 | S | S | . | * | | | trans | 76.4 | 128.4 | 170.4 | -85.1 | 174.8 | -176.5 | 149.3 | 7.1 | 120.4 | N1140 D1141 | R1109-N1140 PolarHBondContact NH2-OD1 3.21Å; R1109-D1141 IonicContact CZ-OD2 2.64Å; R1109-D1141 IonicContact NH1-OD2 2.72Å; R1109-D1141 PolarHBondContact NH1-OD2 2.79Å; R1109-D1141 IonicContact NH2-OD2 2.77Å; R1109-D1141 PolarHBondContact NH2-OD2 3.47Å |
| 1110 | L | 24.4 | Very low | 25.8 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | 72.8 | 107.8 | 150.7 | -67.2 | 168.5 | 0 | 0 | 0 | 121.2 | | |
| 1111 | Q | 24 | Very low | 26 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | | | trans | 61.8 | 144 | 143 | -58.2 | -175.8 | -9.7 | 0 | 0 | 117.7 | | |
| 1112 | Q | 24.6 | Very low | 25.5 | Very low | 178 Ų | 178 | 147.8 Ų | 147.8 | 83% | 0.832 | 74% | 0.735 | S | S | * | * | | | cis | -132.6 | 176.9 | 19.8 | -70.4 | 178.3 | -12.7 | 0 | 0 | 113.4 | | |
| 1113 | Y | 23.3 | Very low | 25.6 | Very low | 211 Ų | 211 | 154.5 Ų | 154.5 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | trans | -60.6 | 155.1 | 173.8 | -61 | -101.5 | 0 | 0 | 0 | 113.3 | | |
| 1114 | R | 23.5 | Very low | 25.6 | Very low | 230 Ų | 230 | 156.6 Ų | 156.6 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | | | trans | -106.8 | 134.9 | 130.6 | -96.2 | -168.1 | 171 | -160.6 | -4.2 | 109.3 | | |
| 1115 | V | 24.4 | Very low | 25.5 | Very low | 102 Ų | 102 | 156.5 Ų | 156.5 | 62% | 0.618 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 138.4 | -172.5 | 169.4 | 0 | 0 | 0 | 0 | 109 | N1117 | V1115-N1117 WeakPolarHBondContact CG1-OD1 3.29Š|
| 1116 | C | 24.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 86% | 0.858 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 128.8 | 148.7 | -170.1 | 0 | 0 | 0 | 0 | 107.3 | C1118 | C1116-C1118 PolarHBondContact O-N 3.49Š|
| 1117 | N | 24.8 | Very low | 25.5 | Very low | 135 Ų | 135 | 157.1 Ų | 157.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 119.9 | -170.9 | -85.2 | -32.4 | 0 | 0 | 0 | 111.9 | V1115 | V1115-N1117 WeakPolarHBondContact CG1-OD1 3.29Š|
| 1118 | C | 26.4 | Very low | 25.5 | Very low | 131 Ų | 131 | 151.6 Ų | 151.6 | 89% | 0.885 | 76% | 0.762 | S | S | * | * | | | trans | -148.7 | 113.1 | 140.8 | -97.5 | 0 | 0 | 0 | 0 | 110.6 | C1116 | C1116-C1118 PolarHBondContact O-N 3.49Š|
| 1119 | I | 28.2 | Very low | 25.7 | Very low | 122 Ų | 122 | 151.1 Ų | 151.1 | 63% | 0.626 | 77% | 0.765 | S | S | * | * | | | trans | -84.3 | 120.1 | 163.5 | -66.3 | 162.2 | 0 | 0 | 0 | 104.9 | K1049 | K1049-I1119 PolarHBondContact NZ-O 3.11Š|
| 1120 | S | 29.8 | Very low | 26 | Very low | 72 Ų | 72 | 150.1 Ų | 150.1 | 50% | 0.503 | 78% | 0.78 | S | S | . | * | | | | -145.6 | 115.1 | 87.5 | -58.4 | 0 | 0 | 0 | 0 | 117.6 | K1049 E1050 | K1049-S1120 PolarHBondContact NZ-OG 2.84Å; E1050-S1120 WeakPolarHBondContact OE1-CB 3.41Å; E1050-S1120 PolarHBondContact OE1-OG 3.11Å; E1050-S1120 PolarHBondContact OE2-OG 3.12Å |
| 1121 | L | 30.8 | Very low | 26.2 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | 20.7 | 90.2 | 137.8 | -76.5 | 156.9 | 0 | 0 | 0 | 122.3 | | |
| 1122 | L | 25.3 | Very low | 26.4 | Very low | 133 Ų | 133 | 149.6 Ų | 149.6 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | | 19.7 | 99.9 | 102.2 | -147.7 | 177.5 | 0 | 0 | 0 | 119.4 | R1124 | L1122-R1124 HydrophobicContact CD2-CG 3.94Š|
| 1123 | R | 28.1 | Very low | 26.6 | Very low | 235 Ų | 235 | 147.6 Ų | 147.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -147.8 | 114.2 | 136.5 | -83.3 | -167.2 | -179.6 | -174.4 | 1.2 | 108.2 | | |
| 1124 | R | 25.1 | Very low | 26.7 | Very low | 216 Ų | 216 | 146.4 Ų | 146.4 | 82% | 0.815 | 77% | 0.772 | S | S | * | * | | | | 65.7 | 130.5 | 79.8 | -73.7 | -171.4 | -178.4 | -162.4 | 1.3 | 113.2 | L1122 | L1122-R1124 HydrophobicContact CD2-CG 3.94Š|
| 1125 | S | 26 | Very low | 26.9 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | cis | -164.8 | 154.2 | 7.1 | 34.9 | 0 | 0 | 0 | 0 | 114 | | |
| 1126 | F | 23 | Very low | 26.9 | Very low | 207 Ų | 207 | 143.5 Ų | 143.5 | 91% | 0.908 | 77% | 0.768 | S | S | * | * | | | trans | -56.4 | 152 | 159.9 | -80.7 | -103.7 | 0 | 0 | 0 | 112 | | |
| 1127 | S | 26.6 | Very low | 27 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -139.8 | 91.6 | 148.9 | 63.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1128 | A | 26.3 | Very low | 27.2 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | | | trans | -74.2 | 151.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1129 | N | 27.2 | Very low | 27.1 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | -145.8 | 80.5 | 173.8 | -141.3 | -2.1 | 0 | 0 | 0 | 112.5 | | |
| 1130 | S | 30.6 | Very low | 27.1 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | | | trans | -155.5 | 97.1 | 163 | -81.8 | 0 | 0 | 0 | 0 | 108 | | |
| 1131 | N | 27.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 123.6 | -175.8 | -84 | -81 | 0 | 0 | 0 | 111.4 | | |
| 1132 | I | 28.6 | Very low | 26.7 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 125.8 | 148.3 | -65.8 | 178.9 | 0 | 0 | 0 | 106.6 | | |
| 1133 | Q | 27.8 | Very low | 26.7 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 64% | 0.64 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 126.5 | -179.8 | -70.5 | -175.8 | -8.3 | 0 | 0 | 110.7 | | |
| 1134 | F | 25.9 | Very low | 26.6 | Very low | 186 Ų | 186 | 140.4 Ų | 140.4 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 151.7 | 161.6 | -82.5 | -99.4 | 0 | 0 | 0 | 110.8 | | |
| 1135 | I | 27 | Very low | 26.7 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | | | trans | -107.7 | 123.9 | 144.3 | -76.2 | 178.5 | 0 | 0 | 0 | 105.9 | | |
| 1136 | D | 25.1 | Very low | 26.6 | Very low | 129 Ų | 129 | 140.1 Ų | 140.1 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | | | trans | -63.8 | 138.6 | 166.2 | -71.6 | -72.7 | 0 | 0 | 0 | 110.6 | | |
| 1137 | L | 27.5 | Very low | 27 | Very low | 175 Ų | 175 | 140 Ų | 140 | 92% | 0.916 | 75% | 0.746 | S | S | * | * | | | trans | -121.3 | 105.3 | 130.8 | -96.5 | 171.8 | 0 | 0 | 0 | 107.7 | | |
| 1138 | S | 28.7 | Very low | 26.9 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | | | trans | -69.9 | 135.9 | -177.3 | 53 | 0 | 0 | 0 | 0 | 112 | | |
| 1139 | N | 24.2 | Very low | 27.2 | Very low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | trans | -66.8 | 138.7 | 158.8 | -79.9 | -24.6 | 0 | 0 | 0 | 110.4 | | |
| 1140 | N | 27.7 | Very low | 27.2 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | | | | -178.5 | 124.4 | 129.8 | -91.9 | -26.1 | 0 | 0 | 0 | 110.6 | R1109 | R1109-N1140 PolarHBondContact NH2-OD1 3.21Š|
| 1141 | D | 25.7 | Very low | 27 | Very low | 95 Ų | 95 | 143.9 Ų | 143.9 | 51% | 0.508 | 73% | 0.732 | S | S | . | * | | | | 51.1 | 130.8 | 117 | -57.6 | -0.2 | 0 | 0 | 0 | 119.5 | R1109 | R1109-D1141 IonicContact CZ-OD2 2.64Å; R1109-D1141 IonicContact NH1-OD2 2.72Å; R1109-D1141 PolarHBondContact NH1-OD2 2.79Å; R1109-D1141 IonicContact NH2-OD2 2.77Å; R1109-D1141 PolarHBondContact NH2-OD2 3.47Å |
| 1142 | L | 27.7 | Very low | 27 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | | | cis | -151.6 | 153.1 | 11.3 | -93 | 130.8 | 0 | 0 | 0 | 113.2 | | |
| 1143 | Q | 24.2 | Very low | 26.7 | Very low | 158 Ų | 158 | 143.4 Ų | 143.4 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | | | trans | -7.6 | 157.7 | 130.3 | -65.2 | -176.8 | 0.6 | 0 | 0 | 118.7 | | |
| 1144 | I | 25.4 | Very low | 26.7 | Very low | 108 Ų | 108 | 148.2 Ų | 148.2 | 55% | 0.554 | 75% | 0.748 | S | S | * | * | | | cis | -166.4 | 148.8 | -0.4 | -109.6 | 164.5 | 0 | 0 | 0 | 107.7 | | |
| 1145 | F | 27.9 | Very low | 26.8 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | | | | -172.1 | 155.3 | 125.3 | -112.4 | -76.3 | 0 | 0 | 0 | 112.6 | | |
| 1146 | N | 25.1 | Very low | 26.6 | Very low | 120 Ų | 120 | 145.5 Ų | 145.5 | 64% | 0.642 | 74% | 0.744 | S | S | * | * | | | trans | -109.8 | 156.9 | -163.9 | -61.5 | -79.5 | 0 | 0 | 0 | 113.3 | | |
| 1147 | F | 29.7 | Very low | 26.8 | Very low | 205 Ų | 205 | 150 Ų | 150 | 90% | 0.899 | 75% | 0.751 | S | S | * | * | | | trans | -153.4 | 101.6 | 133 | -105.4 | -73.8 | 0 | 0 | 0 | 112.8 | | |
| 1148 | R | 25.2 | Very low | 26.5 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | 22.5 | 166.9 | 130.7 | -94.6 | -176.2 | 176.2 | -167.8 | 0.4 | 122.3 | | |
| 1149 | P | 32.7 | Very low | 26.3 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | | | cis | -141.5 | 154.3 | -6 | 34.5 | -14.3 | 0 | 0 | 0 | 118.5 | L1151 | P1149-L1151 HydrophobicContact CB-CD1 4.37Š|
| 1150 | S | 26.4 | Very low | 26.3 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | trans | 175.1 | 111.2 | 131.3 | 34.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1151 | L | 26.8 | Very low | 26.2 | Very low | 134 Ų | 134 | 147.7 Ų | 147.7 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | | 56.3 | 129.9 | 66.6 | -73.4 | 117.1 | 0 | 0 | 0 | 113.2 | P1149 | P1149-L1151 HydrophobicContact CB-CD1 4.37Š|
| 1152 | T | 27.1 | Very low | 26 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 81% | 0.81 | 76% | 0.763 | S | S | * | * | | | cis | -137.7 | 154.9 | 34.3 | -59.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1153 | L | 22.4 | Very low | 25.9 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -118.3 | 145.3 | 175.2 | -87.7 | 164.8 | 0 | 0 | 0 | 111.7 | | |
| 1154 | R | 28 | Very low | 26 | Very low | 237 Ų | 237 | 147.1 Ų | 147.1 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | | | trans | 163.4 | 147.6 | 155.5 | -98.3 | 165 | -177.6 | -163.7 | 0.3 | 109.8 | | |
| 1155 | T | 29 | Very low | 26.5 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | | | cis | -163.7 | 124.7 | -13.1 | 8.8 | 0 | 0 | 0 | 0 | 106.2 | | |
| 1156 | M | 23 | Very low | 26.5 | Very low | 159 Ų | 159 | 141.8 Ų | 141.8 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | | 76 | 138.9 | 89.4 | -73.2 | -104.9 | -71.8 | 0 | 0 | 117.7 | | |
| 1157 | R | 27.8 | Very low | 26.7 | Very low | 223 Ų | 223 | 140.7 Ų | 140.7 | 84% | 0.842 | 74% | 0.737 | S | S | * | * | | | trans | 83 | 94.8 | 163.7 | -66.2 | 179.5 | 176.3 | 165.5 | -2.7 | 120.8 | | |
| 1158 | S | 22.2 | Very low | 26.6 | Very low | 103 Ų | 103 | 137.6 Ų | 137.6 | 72% | 0.72 | 72% | 0.723 | S | S | * | * | | | | 16.9 | 123.2 | 107.8 | -166.9 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1159 | L | 24.4 | Very low | 26.8 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 74% | 0.738 | 72% | 0.718 | S | S | * | * | | | | -178.7 | 159.2 | 101.2 | -91.5 | 176.5 | 0 | 0 | 0 | 111.9 | | |
| 1160 | D | 23.5 | Very low | 26.5 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 73% | 0.725 | S | S | * | * | | | trans | 23.7 | 128.7 | 153.8 | -44.5 | -31.2 | 0 | 0 | 0 | 119.8 | | |
| 1161 | S | 25.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | | | | -178 | 174.5 | 72.9 | 40.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1162 | C | 22.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | | | trans | -83.2 | 152 | -171.7 | -55.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1163 | I | 25.3 | Very low | 26.6 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 86% | 0.862 | 72% | 0.716 | S | S | * | * | | | | 163.4 | 160.1 | 126.7 | -83.9 | 160.4 | 0 | 0 | 0 | 111.3 | | |
| 1164 | V | 26.5 | Very low | 27 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 57% | 0.57 | 71% | 0.714 | S | S | * | * | | | trans | -146.5 | 140 | -163.7 | 153.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1165 | P | 36 | Very low | 27.1 | Very low | 48 Ų | 48 | 127.3 Ų | 127.3 | 31% | 0.312 | 71% | 0.707 | S | S | . | * | | | cis | -155 | -148 | -21.1 | 44.5 | -21.6 | 0 | 0 | 0 | 114.1 | P1088 F1089 | P1088-P1165 VanDerWaalsContact CA-CD 3.42Å; F1089-P1165 VanDerWaalsContact N-CG 3.31Å |
| 1166 | R | 27.7 | Very low | 27.2 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 56% | 0.562 | 71% | 0.714 | S | S | * | * | | | trans | 57.4 | 99.3 | 157.7 | -120.1 | -161.9 | -162.6 | 142.5 | 2.5 | 123.4 | P1088 F1089 | P1088-R1166 WeakPolarHBondContact O-CB 3.38Å; P1088-R1166 WeakPolarHBondContact O-CD 3.25Å; F1089-R1166 VanDerWaalsContact O-CD 3.22Å; F1089-R1166 WeakPolarHBondContact O-CD 3.38Å; F1089-R1166 VanDerWaalsContact O-CG 3.24Å; F1089-R1166 WeakPolarHBondContact O-CG 3.02Å; F1089-R1166 PolarHBondContact O-NE 2.9Å; F1089-R1166 PolarHBondContact O-NH1 2.85Å |
| 1167 | S | 28.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 129 Ų | 129 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | | | | 72.8 | 145.1 | 118.5 | 72.7 | 0 | 0 | 0 | 0 | 125.8 | | |
| 1168 | K | 28.8 | Very low | 27.9 | Very low | 140 Ų | 140 | 125 Ų | 125 | 61% | 0.609 | 70% | 0.697 | S | S | * | * | | | trans | 76.7 | 81.7 | 158.2 | -80.1 | -163.8 | 174.8 | -172.2 | 0 | 119.1 | | |
| 1169 | S | 28 | Very low | 28.4 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | | | | 55.5 | 126.6 | 117.2 | 62.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1170 | I | 26.4 | Very low | 28.8 | Very low | 153 Ų | 153 | 125 Ų | 125 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | | | | -167.1 | 174.4 | 103.2 | -97.3 | 162.3 | 0 | 0 | 0 | 109.9 | | |
| 1171 | N | 27.4 | Very low | 29.3 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | | | trans | -53.6 | 168.1 | 177.9 | -47.6 | -26.1 | 0 | 0 | 0 | 113.1 | | |
| 1172 | D | 30 | Very low | 29.7 | Very low | 127 Ų | 127 | 120 Ų | 120 | 68% | 0.679 | 68% | 0.683 | S | S | * | * | | | | -163.9 | 144.3 | 63.9 | -100.4 | -32.7 | 0 | 0 | 0 | 117.5 | | |
| 1173 | N | 25.1 | Very low | 30.2 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 71% | 0.711 | 68% | 0.682 | S | S | * | * | | | trans | 43.1 | 118.1 | 139.8 | -55.5 | -41.5 | 0 | 0 | 0 | 122.9 | | |
| 1174 | S | 31 | Very low | 30.5 | Very low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | | | | -168.4 | 115.8 | 115 | 23.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1175 | S | 30.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 121.9 Ų | 121.9 | 76% | 0.755 | 68% | 0.684 | S | S | * | * | | | trans | 39.7 | 146 | 134.8 | 70.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1176 | I | 31.6 | Very low | 30.6 | Very low | 161 Ų | 161 | 126 Ų | 126 | 83% | 0.826 | 70% | 0.703 | S | S | * | * | | | cis | -147.3 | 165.1 | 35.1 | -70.7 | 175.5 | 0 | 0 | 0 | 110.8 | | |
| 1177 | E | 31.3 | Very low | 30.8 | Very low | 146 Ų | 146 | 124 Ų | 124 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -72.8 | -173.8 | -178.6 | -57.2 | -164 | 85.1 | 0 | 0 | 115.5 | | |
| 1178 | K | 34.2 | Very low | 31 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 60% | 0.6 | 72% | 0.72 | S | S | * | * | | | cis | -153.6 | -114.1 | 21.1 | -152.6 | 156.5 | -174.7 | 77.7 | 0 | 118.2 | | |
| 1179 | T | 31.4 | Very low | 31.2 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 63% | 0.632 | 73% | 0.73 | S | S | * | * | | | trans | -155.5 | 139.3 | -152.3 | -47.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1180 | I | 32.9 | Very low | 31.2 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 72% | 0.718 | 73% | 0.733 | S | S | * | * | | | trans | 166.9 | 128.1 | 132.5 | -89.3 | 160.6 | 0 | 0 | 0 | 109.1 | Y1196 | I1180-Y1196 PolarHBondContact N-OH 3.04Å; I1180-Y1196 PolarHBondContact O-OH 2.62Å |
| 1181 | G | 34.5 | Very low | 31.4 | Very low | 63 Ų | 63 | 136.4 Ų | 136.4 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | | | cis | 134.3 | 148.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1182 | A | 33.5 | Very low | 31.4 | Very low | 86 Ų | 86 | 136 Ų | 136 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | | | cis | -160.9 | -162.5 | -4.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 1183 | T | 33.5 | Very low | 31.3 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | | | trans | 70.2 | 162 | 173.4 | 76.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 1184 | D | 32.8 | Very low | 31.4 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | | | cis | -166.4 | -174.1 | -39.6 | -91.3 | -40.9 | 0 | 0 | 0 | 106.8 | | |
| 1185 | H | 31.2 | Very low | 31.4 | Very low | 154 Ų | 154 | 137.4 Ų | 137.4 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | | | cis | -152.7 | -176.8 | 10.5 | -144.9 | -86.3 | 0 | 0 | 0 | 109.3 | S1187 | H1185-S1187 PolarHBondContact O-N 3.43Š|
| 1186 | D | 31.7 | Very low | 31.2 | Very low | 133 Ų | 133 | 138.6 Ų | 138.6 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | | | trans | 36.4 | 75.7 | 160.5 | -74.9 | 11.3 | 0 | 0 | 0 | 119.4 | | |
| 1187 | S | 31.9 | Very low | 31 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | | 153.6 | 136.9 | 85 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | H1185 | H1185-S1187 PolarHBondContact O-N 3.43Š|
| 1188 | K | 33.2 | Very low | 30.8 | Very low | 197 Ų | 197 | 133.9 Ų | 133.9 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 62.5 | 106 | 169 | -63.8 | -176.4 | 178.4 | -179.9 | 0 | 118.3 | | |
| 1189 | L | 32.7 | Very low | 30.4 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | | | trans | 79.7 | 67.1 | 144.9 | -60.4 | 169.8 | 0 | 0 | 0 | 119.3 | | |
| 1190 | Y | 29.1 | Very low | 30.5 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | | | | 62.1 | 107.6 | 128 | -84.9 | -113.2 | 0 | 0 | 0 | 121.3 | | |
| 1191 | R | 30.4 | Very low | 30.3 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 78% | 0.777 | 73% | 0.73 | S | S | * | * | | | trans | 65.6 | 118.5 | 137.7 | -60 | -174.2 | -171.3 | -167.6 | 0.9 | 118.4 | | |
| 1192 | T | 27.7 | Very low | 30 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | | | cis | 67.4 | 131.4 | 7.1 | -32.6 | 0 | 0 | 0 | 0 | 115 | | |
| 1193 | L | 27.3 | Very low | 29.8 | Very low | 152 Ų | 152 | 140.1 Ų | 140.1 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | | | cis | -178.3 | -174.6 | -31.7 | -113.6 | 167.8 | 0 | 0 | 0 | 107.6 | | |
| 1194 | Q | 26.8 | Very low | 29.5 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | | | trans | 72.1 | 145 | 164.9 | -62.6 | 173.1 | -13.2 | 0 | 0 | 118.1 | | |
| 1195 | S | 30.3 | Very low | 29.2 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | | | cis | 98.4 | 120 | 5.3 | 86.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1196 | Y | 27.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 52% | 0.522 | 74% | 0.738 | S | S | . | * | | | trans | -157.2 | 164.9 | 163.9 | -77.7 | -84.3 | 0 | 0 | 0 | 108.1 | I1180 | I1180-Y1196 PolarHBondContact N-OH 3.04Å; I1180-Y1196 PolarHBondContact O-OH 2.62Å |
| 1197 | S | 26.3 | Very low | 29.1 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | | | cis | -177.9 | 152.1 | -36.6 | 56.5 | 0 | 0 | 0 | 0 | 105.4 | | |
| 1198 | T | 28.9 | Very low | 28.8 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | | | | -163.7 | 138.3 | 51.7 | 39.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1199 | N | 24.6 | Very low | 28.5 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | | | | 53.6 | 149.9 | 93.4 | -73.5 | -25.3 | 0 | 0 | 0 | 116.7 | | |
| 1200 | P | 33.9 | Very low | 28.3 | Very low | 103 Ų | 103 | 135.7 Ų | 135.7 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | cis | -118.6 | -171.6 | 9.5 | 23 | 2.6 | 0 | 0 | 0 | 112.5 | | |
| 1201 | H | 27.7 | Very low | 28.1 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 75% | 0.75 | 72% | 0.72 | S | S | * | * | | | cis | -159.2 | 157.8 | 32.5 | -116.2 | -67.1 | 0 | 0 | 0 | 113.5 | | |
| 1202 | I | 29.9 | Very low | 27.7 | Very low | 139 Ų | 139 | 130.9 Ų | 130.9 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | trans | 74.1 | 95.6 | 150.8 | -62.2 | 162.1 | 0 | 0 | 0 | 118.9 | | |
| 1203 | S | 27.5 | Very low | 27.7 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | | 70.3 | 152.7 | 127.6 | 97.7 | 0 | 0 | 0 | 0 | 121 | | |
| 1204 | V | 28 | Very low | 27.8 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 70% | 0.703 | 73% | 0.73 | S | S | * | * | | | cis | -157.1 | 148.7 | -19.9 | 118.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1205 | Q | 26 | Very low | 27.8 | Very low | 166 Ų | 166 | 123.6 Ų | 123.6 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | | | trans | 38.4 | 126.8 | 161.2 | -66.2 | 169.6 | -21.3 | 0 | 0 | 121.2 | | |
| 1206 | S | 29.6 | Very low | 27.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | | | trans | -106 | 143.1 | 133.1 | 58.5 | 0 | 0 | 0 | 0 | 109 | | |
| 1207 | P | 31.2 | Very low | 27.5 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 61% | 0.61 | 75% | 0.746 | S | S | * | * | | | trans | -149.1 | 149.8 | 150.4 | 35.1 | -16.8 | 0 | 0 | 0 | 116.7 | | |
| 1208 | L | 27.2 | Very low | 27.5 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | | | trans | 62.8 | 125.9 | 137 | -65.8 | 168 | 0 | 0 | 0 | 123.2 | | |
| 1209 | C | 26.6 | Very low | 27.4 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | | | | 87 | 121.4 | 126.7 | -79.5 | 0 | 0 | 0 | 0 | 124 | | |
| 1210 | K | 27.2 | Very low | 27.4 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 79% | 0.787 | 74% | 0.738 | S | S | * | * | | | | 63.3 | 92.3 | 122.6 | -62.3 | 175.5 | -177.7 | 175.6 | 0 | 120.5 | | |
| 1211 | S | 24.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 136.2 Ų | 136.2 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | | 45.5 | 141.8 | 110.3 | 68.6 | 0 | 0 | 0 | 0 | 123 | | |
| 1212 | F | 23.1 | Very low | 26.7 | Very low | 197 Ų | 197 | 139 Ų | 139 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | 101.4 | 146.9 | 158.2 | -86.5 | -84.7 | 0 | 0 | 0 | 120.2 | | |
| 1213 | C | 27.1 | Very low | 26.4 | Very low | 133 Ų | 133 | 138.4 Ų | 138.4 | 90% | 0.899 | 74% | 0.741 | S | S | * | * | | | trans | 66.8 | 135.6 | -178.6 | -66.7 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1214 | G | 28.7 | Very low | 26.2 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | cis | -177.1 | 173.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1215 | G | 28.2 | Very low | 26 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | | | trans | 84.7 | 137.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1216 | R | 25 | Very low | 26.1 | Very low | 224 Ų | 224 | 146.1 Ų | 146.1 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | | | cis | 58.1 | 139.4 | 22.1 | -43.2 | -175.3 | 177.9 | 179.1 | -0.4 | 113.4 | | |
| 1217 | F | 27.1 | Very low | 25.9 | Very low | 154 Ų | 154 | 149.1 Ų | 149.1 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | | | cis | -124.4 | 144.7 | 8.2 | -94.5 | -107.5 | 0 | 0 | 0 | 110 | | |
| 1218 | Q | 25.2 | Very low | 25.7 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | | | | 64.5 | 121.2 | 79.5 | -108.4 | -169.3 | 65.7 | 0 | 0 | 116.7 | | |
| 1219 | K | 26.2 | Very low | 25.6 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | trans | 77.6 | 130.9 | 135.3 | -78.5 | 177.8 | -175 | 158.7 | 0 | 123.6 | | |
| 1220 | I | 24.6 | Very low | 25.5 | Very low | 136 Ų | 136 | 154.7 Ų | 154.7 | 70% | 0.697 | 76% | 0.758 | S | S | * | * | | | | 72.8 | 112.3 | 130 | -66 | 173.6 | 0 | 0 | 0 | 116.9 | | |
| 1221 | H | 22.1 | Very low | 25.4 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 70% | 0.704 | 76% | 0.762 | S | S | * | * | | | | 79.7 | 91 | 52.4 | -175.9 | -54.1 | 0 | 0 | 0 | 114.2 | | |
| 1222 | R | 25.4 | Very low | 25.5 | Very low | 221 Ų | 221 | 155.3 Ų | 155.3 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -167 | 129.7 | 149.6 | -101.7 | 143.9 | -172.2 | -147.7 | -2.1 | 108.3 | | |
| 1223 | L | 23.2 | Very low | 25.7 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | | 63.9 | 136.4 | 83.7 | -87.9 | 76 | 0 | 0 | 0 | 113.4 | | |
| 1224 | F | 23.9 | Very low | 25.6 | Very low | 164 Ų | 164 | 152.8 Ų | 152.8 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | | | cis | -168.9 | 151.3 | -13.8 | -141.8 | -136.1 | 0 | 0 | 0 | 108.7 | | |
| 1225 | H | 24.2 | Very low | 25.7 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | | | trans | 34.4 | 106.6 | 151.2 | -75 | -123.3 | 0 | 0 | 0 | 120.8 | | |
| 1226 | R | 28.1 | Very low | 25.9 | Very low | 242 Ų | 242 | 159.1 Ų | 159.1 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | | | | -164.1 | 125.3 | 117.2 | -101.7 | 158.9 | 176.5 | -173.7 | -3 | 107.7 | | |
| 1227 | K | 25.2 | Very low | 25.9 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | | | | 74.4 | 139.5 | 59.4 | -94.5 | -161.5 | 171.8 | -169.2 | 0 | 113.7 | | |
| 1228 | Q | 27.5 | Very low | 25.9 | Very low | 173 Ų | 173 | 153.1 Ų | 153.1 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | | | trans | 75.4 | 129.6 | -175.1 | -48.8 | -179.1 | -83.8 | 0 | 0 | 110.7 | | |
| 1229 | H | 24.3 | Very low | 26.1 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 87% | 0.87 | 74% | 0.739 | S | S | * | * | | | | 57.5 | 125.9 | 50.5 | -61.5 | -86.1 | 0 | 0 | 0 | 110.9 | | |
| 1230 | S | 24.6 | Very low | 26.1 | Very low | 94 Ų | 94 | 153 Ų | 153 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | cis | -150.9 | 169.3 | 8 | 46.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1231 | Q | 26.1 | Very low | 26.3 | Very low | 186 Ų | 186 | 153.2 Ų | 153.2 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | trans | 21.9 | 124.4 | 149.5 | -65.9 | 163.5 | -67.2 | 0 | 0 | 119 | | |
| 1232 | S | 25.4 | Very low | 26.5 | Very low | 107 Ų | 107 | 150.8 Ų | 150.8 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -132.7 | 114 | 148.7 | 61.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1233 | H | 28.9 | Very low | 26.6 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | | | trans | 41.4 | 116.1 | 149.6 | -60.5 | -62.7 | 0 | 0 | 0 | 121.3 | | |
| 1234 | D | 23.8 | Very low | 26.5 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 64% | 0.642 | 76% | 0.755 | S | S | * | * | | | | 41.6 | 95.4 | 102.3 | -38.5 | -37.7 | 0 | 0 | 0 | 116.8 | | |
| 1235 | N | 31.2 | Very low | 26.8 | Very low | 149 Ų | 149 | 149.9 Ų | 149.9 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | | | | -121 | 120.5 | 110.6 | -81.7 | -86.2 | 0 | 0 | 0 | 106.2 | | |
| 1236 | L | 32.9 | Very low | 26.8 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | | | | 57.8 | 131.6 | 82.3 | -84 | 106.2 | 0 | 0 | 0 | 113.5 | | |
| 1237 | E | 24.1 | Very low | 26.8 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | | | cis | -167.3 | 175.1 | -23.6 | -140.3 | -164.1 | 143.7 | 0 | 0 | 108.7 | | |
| 1238 | C | 27.8 | Very low | 27 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | | | trans | 63.2 | 148.3 | 156.4 | -75.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1239 | S | 28.3 | Very low | 26.8 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | cis | -165.2 | 133.1 | -18.9 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1240 | K | 26 | Very low | 26.8 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | | | trans | 36.8 | 110 | 131.5 | -54.7 | 167.5 | -177.3 | 166.6 | 0 | 118.5 | | |
| 1241 | T | 28.8 | Very low | 26.9 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | | | | -148.4 | 150.5 | 111.5 | 46.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 1242 | S | 26.3 | Very low | 26.7 | Very low | 101 Ų | 101 | 139.7 Ų | 139.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | | | cis | -164.3 | 167.9 | -31.7 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1243 | V | 27.6 | Very low | 26.6 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 75% | 0.745 | 75% | 0.745 | S | S | * | * | | | trans | 64.9 | 83.5 | 160.3 | -172.9 | 0 | 0 | 0 | 0 | 118.5 | | |
| 1244 | D | 22.5 | Very low | 26.3 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | | | | 5.4 | 122.6 | 117.4 | -171.4 | 7.5 | 0 | 0 | 0 | 119.3 | | |
| 1245 | R | 28.4 | Very low | 26.3 | Very low | 227 Ų | 227 | 141.3 Ų | 141.3 | 86% | 0.857 | 74% | 0.743 | S | S | * | * | | | trans | -170.6 | 109.8 | 141.5 | -111 | 169.6 | -175.2 | -176.5 | 1.5 | 116.7 | | |
| 1246 | S | 24.8 | Very low | 25.9 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | | | | 52 | 149.3 | 127.4 | 73.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 1247 | K | 28.9 | Very low | 25.4 | Very low | 183 Ų | 183 | 139.2 Ų | 139.2 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | 81.1 | 124.6 | 162 | -70 | -176.2 | 178 | -175.5 | 0 | 116.1 | | |
| 1248 | L | 27.9 | Very low | 25.3 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 76% | 0.759 | 73% | 0.731 | S | S | * | * | | | | 64.1 | 116.4 | 81.6 | -88.1 | 85.1 | 0 | 0 | 0 | 111.7 | | |
| 1249 | L | 23.2 | Very low | 25.3 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | | 70 | 121.2 | 71.2 | -89.3 | 162.9 | 0 | 0 | 0 | 112.5 | | |
| 1250 | N | 24.3 | Very low | 25 | Very low | 132 Ų | 132 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | 68.2 | 150 | 171.6 | -61.9 | 20.8 | 0 | 0 | 0 | 113.9 | | |
| 1251 | D | 26.9 | Very low | 24.8 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | | | cis | -131.8 | 178.6 | 6.2 | -93.3 | -53.9 | 0 | 0 | 0 | 112.4 | | |
| 1252 | I | 23.5 | Very low | 24.6 | Very low | 153 Ų | 153 | 140.1 Ų | 140.1 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -90.7 | 127.6 | 163.9 | -65.9 | 165.5 | 0 | 0 | 0 | 107.7 | | |
| 1253 | D | 22.8 | Very low | 24.6 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | | | | -171.6 | -175.5 | 112.6 | -125.3 | -30.5 | 0 | 0 | 0 | 114.4 | | |
| 1254 | F | 22.7 | Very low | 24.4 | Very low | 157 Ų | 157 | 142 Ų | 142 | 69% | 0.689 | 71% | 0.71 | S | S | * | * | | | trans | -48.3 | 167.1 | 162.4 | -76.7 | -119.7 | 0 | 0 | 0 | 112.5 | | |
| 1255 | D | 22.5 | Very low | 24.7 | Very low | 122 Ų | 122 | 143.8 Ų | 143.8 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | | | cis | -160 | -168 | 32.5 | -164.3 | 19.6 | 0 | 0 | 0 | 113 | | |
| 1256 | T | 22.8 | Very low | 24.6 | Very low | 93 Ų | 93 | 140.5 Ų | 140.5 | 57% | 0.571 | 71% | 0.705 | S | S | * | * | | | trans | 23.8 | 142 | 148.4 | 36.5 | 0 | 0 | 0 | 0 | 120.5 | | |
| 1257 | Q | 23.5 | Very low | 24.8 | Very low | 144 Ų | 144 | 143 Ų | 143 | 67% | 0.673 | 71% | 0.71 | S | S | * | * | | | cis | -148.3 | 149.1 | 32.4 | -111.7 | 131.2 | 46 | 0 | 0 | 108.4 | | |
| 1258 | L | 22.4 | Very low | 24.9 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | | | | 57.4 | 76.7 | 54.8 | -173.3 | 121.8 | 0 | 0 | 0 | 112.9 | | |
| 1259 | W | 26.5 | Very low | 24.8 | Very low | 223 Ų | 223 | 139.1 Ų | 139.1 | 85% | 0.845 | 71% | 0.705 | S | S | * | * | | | trans | -145.7 | 149.3 | 139.3 | -82.8 | 84 | 0 | 0 | 0 | 108.2 | | |
| 1260 | D | 22.4 | Very low | 25.1 | Very low | 107 Ų | 107 | 137.7 Ų | 137.7 | 57% | 0.572 | 70% | 0.702 | S | S | * | * | | | cis | -166.7 | -173.8 | -41.2 | -144.7 | -44.8 | 0 | 0 | 0 | 106.6 | | |
| 1261 | E | 23 | Very low | 25.3 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | | | trans | 55.7 | 109.2 | 140.3 | -79.4 | -134.3 | 112.6 | 0 | 0 | 119.7 | | |
| 1262 | V | 24.2 | Very low | 25.2 | Very low | 89 Ų | 89 | 137.1 Ų | 137.1 | 54% | 0.539 | 70% | 0.698 | S | S | . | * | | | | 106.8 | 129.7 | 107.1 | 146.4 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1263 | K | 26.4 | Very low | 25.5 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | | | trans | 51.3 | 101.7 | 152.9 | -65.3 | 165 | -155.1 | 100 | 0 | 117.5 | | |
| 1264 | S | 23.1 | Very low | 25.5 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 69% | 0.692 | 70% | 0.696 | S | S | * | * | | | | 25.4 | 128.7 | 116.3 | 57.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1265 | K | 29.3 | Very low | 25.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | | | | -166.2 | 123.9 | 108.4 | -106.1 | 158.3 | -176.4 | 179.9 | 0 | 114.4 | | |
| 1266 | H | 25.7 | Very low | 25.6 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | | | trans | 63.1 | 147.3 | 131.2 | -88.3 | -117.7 | 0 | 0 | 0 | 121.6 | | |
| 1267 | I | 28.5 | Very low | 25.7 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | | | trans | 70.9 | 120.7 | 148 | -68.8 | 162.1 | 0 | 0 | 0 | 114.4 | | |
| 1268 | L | 30.7 | Very low | 25.9 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | | | cis | -141.7 | 153.2 | 16.2 | -163.5 | 65.3 | 0 | 0 | 0 | 112.3 | | |
| 1269 | C | 27.3 | Very low | 26.4 | Very low | 100 Ų | 100 | 128.9 Ų | 128.9 | 68% | 0.676 | 67% | 0.674 | S | S | * | * | | | trans | -7.7 | 141.2 | 163.1 | -56 | 0 | 0 | 0 | 0 | 118.9 | | |
| 1270 | T | 29 | Very low | 26.5 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 70% | 0.699 | 67% | 0.668 | S | S | * | * | | | cis | -179 | 160.5 | -2.3 | 29.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1271 | N | 27.7 | Very low | 26.9 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | | | cis | -161.8 | 158.7 | -2.5 | -115.7 | 18.4 | 0 | 0 | 0 | 107.5 | | |
| 1272 | I | 24.4 | Very low | 27.3 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | | | cis | 76.3 | 124.5 | 11.4 | -48.2 | 169.2 | 0 | 0 | 0 | 114.6 | | |
| 1273 | P | 30.8 | Very low | 27.6 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | | | cis | -120.8 | -173.7 | -13.1 | 41.4 | -24.7 | 0 | 0 | 0 | 111.2 | | |
| 1274 | F | 22.7 | Very low | 27.8 | Very low | 176 Ų | 176 | 119.1 Ų | 119.1 | 77% | 0.772 | 66% | 0.66 | S | S | * | * | | | cis | 84.9 | 110.3 | 20.9 | -99.6 | -85.3 | 0 | 0 | 0 | 118.4 | | |
| 1275 | W | 23.4 | Very low | 28.1 | Very low | 152 Ų | 152 | 120.6 Ų | 120.6 | 58% | 0.576 | 66% | 0.66 | S | S | * | * | | | trans | 50.3 | 117.7 | 155.6 | -73.3 | 5.5 | 0 | 0 | 0 | 121.1 | H1069 T1070 | H1069-W1275 VanDerWaalsContact O-CD2 3.25Å; H1069-W1275 WeakPolarHBondContact O-CZ3 3.3Å; T1070-W1275 PolarHBondContact O-NE1 3.45Å |
| 1276 | N | 24.9 | Very low | 28.1 | Very low | 98 Ų | 98 | 119.8 Ų | 119.8 | 52% | 0.524 | 66% | 0.659 | S | S | . | * | | | | -168.7 | 157.1 | 106 | -109.5 | -20.2 | 0 | 0 | 0 | 116.4 | H1069 C1071 | H1069-N1276 PolarHBondContact O-OD1 2.78Å; C1071-N1276 CarbonylContact O-C 3.48Å; C1071-N1276 PolarHBondContact O-N 3.32Å; C1071-N1276 VanDerWaalsContact O-O 3.05Å |
| 1277 | C | 24.9 | Very low | 28.2 | Very low | 59 Ų | 59 | 117.6 Ų | 117.6 | 40% | 0.399 | 66% | 0.657 | S | S | . | * | | | trans | 32 | 144.1 | 150.3 | -53 | 0 | 0 | 0 | 0 | 121.8 | H1069 | H1069-C1277 PolarHBondContact CD2-SG 3.37Š|
| 1278 | T | 27.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | | | cis | -165.6 | 166.5 | 4.8 | 1.7 | 0 | 0 | 0 | 0 | 109.2 | H1069 | H1069-T1278 WeakPolarHBondContact NE2-CG2 3.16Š|
| 1279 | G | 30.8 | Very low | 27.9 | Very low | 64 Ų | 64 | 117.9 Ų | 117.9 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | | | trans | 106.5 | 69.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 1280 | N | 30 | Very low | 27.9 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | | | trans | 38.1 | 128.2 | 130 | -75.8 | 60.2 | 0 | 0 | 0 | 123.8 | | |
| 1281 | D | 31.2 | Very low | 27.8 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 68% | 0.684 | 65% | 0.649 | S | S | * | * | | | | 86.2 | 89.8 | 127.6 | -53.5 | -12.3 | 0 | 0 | 0 | 122 | | |
| 1282 | A | 31.2 | Very low | 27.7 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 53% | 0.529 | 66% | 0.655 | S | S | . | * | | | | 77.5 | 121.6 | 113.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | T1445 | A1282-T1445 VanDerWaalsContact O-CG2 3.24Å; A1282-T1445 WeakPolarHBondContact O-CG2 3.45Å |
| 1283 | D | 30.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | | | trans | 62.2 | 138.8 | 139 | -56.2 | -8.3 | 0 | 0 | 0 | 118.6 | T1445 | D1283-T1445 VanDerWaalsContact O-CB 3.25Å; D1283-T1445 WeakPolarHBondContact O-CB 3.17Å; D1283-T1445 VanDerWaalsContact O-CG2 3.31Å; D1283-T1445 WeakPolarHBondContact O-CG2 3.2Å |
| 1284 | T | 29.5 | Very low | 27.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 47% | 0.472 | 65% | 0.654 | S | S | . | * | | | cis | -151.1 | 177.3 | 2.5 | 10.4 | 0 | 0 | 0 | 0 | 106.3 | T1446 | T1284-T1446 WeakPolarHBondContact O-CG2 3.23Å; T1284-T1446 PolarHBondContact O-N 2.96Å |
| 1285 | D | 28.9 | Very low | 27.6 | Very low | 130 Ų | 130 | 127.7 Ų | 127.7 | 70% | 0.695 | 65% | 0.654 | S | S | * | * | | | cis | -157.3 | 166.7 | 11.3 | -134 | -37.7 | 0 | 0 | 0 | 110.6 | | |
| 1286 | E | 30 | Very low | 27.7 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | | | trans | 54.8 | 155.9 | 161.2 | -62.5 | -163.3 | 166 | 0 | 0 | 120.4 | | |
| 1287 | T | 28.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 68% | 0.681 | 67% | 0.669 | S | S | * | * | | | cis | -156.6 | -173.8 | -33.8 | 46.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 1288 | H | 26.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 68% | 0.676 | 69% | 0.688 | S | S | * | * | | | cis | -154.2 | 132.3 | 5.4 | -144.6 | -88.8 | 0 | 0 | 0 | 108.7 | | |
| 1289 | E | 25.8 | Very low | 27.4 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | | | trans | 68.4 | 159.6 | 167.9 | -31.3 | -155.3 | 167.4 | 0 | 0 | 118.9 | | |
| 1290 | N | 27.7 | Very low | 27.1 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 57% | 0.567 | 69% | 0.691 | S | S | * | * | | | cis | -151.7 | 144.8 | 8.3 | -137.1 | -36.9 | 0 | 0 | 0 | 112.7 | | |
| 1291 | R | 25.8 | Very low | 26.8 | Very low | 204 Ų | 204 | 140.7 Ų | 140.7 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | | | trans | 30.8 | 131.2 | 157.8 | -67.9 | 162.3 | -172.3 | -171.6 | 2.1 | 121.1 | | |
| 1292 | F | 26.1 | Very low | 26.4 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 83% | 0.829 | 69% | 0.692 | S | S | * | * | | | | -167.2 | 179.5 | 94.4 | -114.1 | -79.3 | 0 | 0 | 0 | 114.4 | | |
| 1293 | D | 26 | Very low | 25.9 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 60% | 0.604 | 71% | 0.707 | S | S | * | * | | | trans | -49.3 | 148.4 | -159.4 | -87.5 | -60.1 | 0 | 0 | 0 | 121.9 | | |
| 1294 | R | 24.9 | Very low | 25.6 | Very low | 215 Ų | 215 | 149 Ų | 149 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | | | trans | 8.9 | 132.8 | 133.4 | -44.5 | 165.8 | -175 | -121.1 | -1.1 | 118.7 | | |
| 1295 | I | 24.6 | Very low | 25.4 | Very low | 149 Ų | 149 | 150.8 Ų | 150.8 | 76% | 0.764 | 73% | 0.727 | S | S | * | * | | | | 171.8 | 140.8 | 107.4 | -93.7 | 168.1 | 0 | 0 | 0 | 110.4 | | |
| 1296 | L | 24.7 | Very low | 25.5 | Very low | 146 Ų | 146 | 150.4 Ų | 150.4 | 76% | 0.764 | 73% | 0.732 | S | S | * | * | | | trans | 25.4 | 143.9 | 154.2 | -58.3 | 172.6 | 0 | 0 | 0 | 120.5 | | |
| 1297 | D | 23.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 151 Ų | 151 | 66% | 0.658 | 73% | 0.727 | S | S | * | * | | | cis | -160.1 | 174.7 | 9.8 | -142.7 | -28 | 0 | 0 | 0 | 111.7 | | |
| 1298 | L | 25.4 | Very low | 25.4 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | | | trans | 64.2 | 135.6 | 164.3 | -93.7 | 62.7 | 0 | 0 | 0 | 117 | | |
| 1299 | S | 23.6 | Very low | 25.3 | Very low | 86 Ų | 86 | 142.9 Ų | 142.9 | 60% | 0.601 | 69% | 0.694 | S | S | * | * | | | cis | -156.7 | 159 | 9.2 | 60 | 0 | 0 | 0 | 0 | 114.6 | | |
| 1300 | Y | 23.7 | Very low | 25.4 | Very low | 202 Ų | 202 | 138.7 Ų | 138.7 | 79% | 0.792 | 68% | 0.678 | S | S | * | * | | | trans | 57 | 99.2 | 164.5 | -55.5 | -66.4 | 0 | 0 | 0 | 119.8 | | |
| 1301 | R | 23.8 | Very low | 25.3 | Very low | 182 Ų | 182 | 141.4 Ų | 141.4 | 69% | 0.687 | 69% | 0.687 | S | S | * | * | | | | -142.8 | 140.8 | 106 | -113.9 | 176.5 | -159 | -175.2 | 11.6 | 114.2 | T1058 | T1058-R1301 VanDerWaalsContact N-NH2 3.17Š|
| 1302 | I | 22.2 | Very low | 25.4 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 75% | 0.749 | 68% | 0.683 | S | S | * | * | | | trans | -63.8 | 130.3 | -170.3 | -73.1 | 160.6 | 0 | 0 | 0 | 112 | | |
| 1303 | F | 21.4 | Very low | 25.4 | Very low | 189 Ų | 189 | 135.2 Ų | 135.2 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | | | trans | -58.9 | 142.6 | 158.4 | -89.7 | -113.5 | 0 | 0 | 0 | 110.3 | | |
| 1304 | I | 24.8 | Very low | 25.4 | Very low | 149 Ų | 149 | 137 Ų | 137 | 76% | 0.764 | 69% | 0.689 | S | S | * | * | | | trans | -166 | 127.3 | 132.1 | -100.7 | 147.5 | 0 | 0 | 0 | 109.9 | | |
| 1305 | C | 25.4 | Very low | 25.4 | Very low | 115 Ų | 115 | 137 Ų | 137 | 78% | 0.777 | 69% | 0.69 | S | S | * | * | | | trans | -88.1 | 140.1 | 167.5 | -67 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1306 | P | 30 | Very low | 25.3 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | | | trans | -103.3 | 89.1 | 163.7 | 33.1 | -25.3 | 0 | 0 | 0 | 111.5 | H1308 | P1306-H1308 PolarHBondContact O-N 3.24Š|
| 1307 | R | 25.6 | Very low | 25.2 | Very low | 177 Ų | 177 | 136.9 Ų | 136.9 | 67% | 0.668 | 68% | 0.682 | S | S | * | * | | | trans | -78 | 110.5 | 151.4 | -93.4 | -168.9 | 178.8 | -169 | 2.6 | 107.4 | | |
| 1308 | H | 30.9 | Very low | 25.2 | Very low | 45 Ų | 45 | 134.5 Ų | 134.5 | 21% | 0.208 | 67% | 0.674 | C | S | . | * | | | trans | 67.9 | 148 | 168.4 | -49.9 | 120.6 | 0 | 0 | 0 | 117.4 | R237 C248 P1306 | R237-H1308 VanDerWaalsContact CD-NE2 3.3Å; R237-H1308 WeakPolarHBondContact CD-NE2 3.34Å; R237-H1308 VanDerWaalsContact CZ-NE2 3.27Å; R237-H1308 PolarHBondContact NE-NE2 2.89Å; C248-H1308 PolarHBondContact SG-CD2 2.98Å; C248-H1308 PolarHBondContact SG-NE2 2.86Å; C248-H1308 VanDerWaalsContact SG-NE2 3.42Å; P1306-H1308 PolarHBondContact O-N 3.24Å |
| 1309 | G | 26.3 | Very low | 25.4 | Very low | 43 Ų | 43 | 132.5 Ų | 132.5 | 44% | 0.443 | 67% | 0.673 | S | S | . | * | | | trans | -139.4 | 172 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109 | W236 | W236-G1309 PolarHBondContact NE1-O 2.91Š|
| 1310 | V | 27.2 | Very low | 25.5 | Very low | 62 Ų | 62 | 134.1 Ų | 134.1 | 38% | 0.376 | 68% | 0.675 | S | S | . | * | | | trans | -140.8 | 136 | 158.7 | 179.2 | 0 | 0 | 0 | 0 | 106.6 | H235 | H235-V1310 HydrophobicContact CB-CG2 4.44Š|
| 1311 | Q | 26 | Very low | 25.8 | Very low | 163 Ų | 163 | 131.5 Ų | 131.5 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | | | trans | -68 | 122.2 | 176.4 | -82.2 | 161.8 | -33.4 | 0 | 0 | 109.6 | | |
| 1312 | S | 26.8 | Very low | 26.2 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | | | | 75.2 | 127 | 74.6 | 82.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1313 | L | 26 | Very low | 26.4 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 86% | 0.864 | 66% | 0.66 | S | S | * | * | | | trans | -138.8 | 148.5 | 146.5 | -115.6 | 172.5 | 0 | 0 | 0 | 108 | | |
| 1314 | H | 25.8 | Very low | 26.6 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 69% | 0.69 | 65% | 0.654 | S | S | * | * | | | trans | -146.3 | 124.7 | -154 | 170.9 | -88.6 | 0 | 0 | 0 | 110.5 | | |
| 1315 | W | 24.7 | Very low | 26.7 | Very low | 217 Ų | 217 | 124.1 Ų | 124.1 | 82% | 0.822 | 65% | 0.652 | S | S | * | * | | | trans | -145.5 | 135 | 175.4 | -70.5 | 86.1 | 0 | 0 | 0 | 108.3 | | |
| 1316 | N | 23.6 | Very low | 27 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 46% | 0.455 | 65% | 0.649 | S | S | . | * | | | cis | -155.6 | 151.8 | -13.4 | -153 | 12.6 | 0 | 0 | 0 | 112 | S1318 | N1316-S1318 PolarHBondContact OD1-N 3.02Š|
| 1317 | F | 23.4 | Very low | 27 | Very low | 207 Ų | 207 | 124 Ų | 124 | 91% | 0.908 | 64% | 0.644 | S | S | * | * | | | trans | -149.4 | 80.2 | 144.2 | -99.9 | -68.8 | 0 | 0 | 0 | 107.3 | | |
| 1318 | S | 23.2 | Very low | 27.1 | Very low | 72 Ų | 72 | 125.2 Ų | 125.2 | 50% | 0.503 | 65% | 0.648 | S | S | . | * | | | trans | -88 | 121.9 | 168.4 | -140 | 0 | 0 | 0 | 0 | 108.6 | N1316 D1320 | N1316-S1318 PolarHBondContact OD1-N 3.02Å; S1318-D1320 WeakPolarHBondContact CB-OD2 3.05Å; S1318-D1320 PolarHBondContact OG-OD2 2.67Å |
| 1319 | S | 28.5 | Very low | 26.9 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | | | trans | 178.3 | 93.7 | 171.6 | -73 | 0 | 0 | 0 | 0 | 102.8 | | |
| 1320 | D | 27.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 64% | 0.642 | 66% | 0.663 | S | S | * | * | | | cis | 49.6 | 114.6 | 41.5 | -45.3 | -60.5 | 0 | 0 | 0 | 109 | S1318 | S1318-D1320 WeakPolarHBondContact CB-OD2 3.05Å; S1318-D1320 PolarHBondContact OG-OD2 2.67Å |
| 1321 | D | 29.5 | Very low | 27.1 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 79% | 0.786 | 67% | 0.67 | S | S | * | * | | | cis | -103.6 | 177.1 | 18 | -83.1 | -53.8 | 0 | 0 | 0 | 114.6 | | |
| 1322 | G | 32.2 | Very low | 27.1 | Very low | 31 Ų | 31 | 126.1 Ų | 126.1 | 32% | 0.32 | 66% | 0.655 | S | S | . | * | | | cis | 162.5 | -174 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1323 | Q | 26.9 | Very low | 27.1 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | | | trans | -84.1 | 167.3 | -157.7 | -59 | 178.6 | 12 | 0 | 0 | 115.6 | | |
| 1324 | Q | 24.5 | Very low | 27.2 | Very low | 149 Ų | 149 | 125.8 Ų | 125.8 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | | | trans | 10.9 | 128.7 | 147.9 | -55.3 | 179.2 | 52.3 | 0 | 0 | 118.9 | | |
| 1325 | H | 27.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | | | | -175.5 | 145.5 | 106.7 | -92.5 | -57.3 | 0 | 0 | 0 | 114 | | |
| 1326 | I | 30.2 | Very low | 27.6 | Very low | 137 Ų | 137 | 114.2 Ų | 114.2 | 70% | 0.703 | 59% | 0.593 | S | S | * | * | | | trans | 40.5 | 140.5 | 133.1 | -50.8 | 165.1 | 0 | 0 | 0 | 120.8 | | |
| 1327 | S | 30.3 | Very low | 27.7 | Very low | 98 Ų | 98 | 113.2 Ų | 113.2 | 69% | 0.685 | 59% | 0.59 | S | S | * | * | | | trans | 51.8 | 115 | 161 | 61.4 | 0 | 0 | 0 | 0 | 119 | | |
| 1328 | R | 28.2 | Very low | 28.2 | Very low | 202 Ų | 202 | 110.2 Ų | 110.2 | 76% | 0.762 | 58% | 0.577 | S | S | * | * | | | | 61.5 | 128.1 | 67.1 | -80.4 | -166.2 | 167.4 | 178 | -0.8 | 115.5 | | |
| 1329 | L | 27.3 | Very low | 28.5 | Very low | 92 Ų | 92 | 112.7 Ų | 112.7 | 48% | 0.482 | 58% | 0.58 | S | S | . | * | | | trans | 69.3 | 100 | 167.2 | -56.9 | 174.3 | 0 | 0 | 0 | 113.8 | | |
| 1330 | N | 26.5 | Very low | 28.6 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | | | | 68.3 | 81.9 | 70.2 | -169.2 | 16.8 | 0 | 0 | 0 | 109 | S1867 | N1330-S1867 PolarHBondContact ND2-N 3.1Å; N1330-S1867 CarbonylContact O-C 3.16Å; N1330-S1867 WeakPolarHBondContact O-CA 3.42Å; N1330-S1867 PolarHBondContact O-N 2.94Å |
| 1331 | T | 29.8 | Very low | 29 | Very low | 86 Ų | 86 | 113.3 Ų | 113.3 | 53% | 0.528 | 58% | 0.575 | S | S | . | * | | | trans | 173 | 32 | -175.5 | 33.6 | 0 | 0 | 0 | 0 | 108 | S1867 | T1331-S1867 VanDerWaalsContact CG2-C 3.41Å; T1331-S1867 WeakPolarHBondContact CG2-O 3.28Å |
| 1332 | S | 26.5 | Very low | 29.5 | Very low | 62 Ų | 62 | 112.6 Ų | 112.6 | 43% | 0.434 | 56% | 0.564 | S | S | . | * | | | | 56.3 | 161.8 | 101.4 | 74 | 0 | 0 | 0 | 0 | 116.6 | D1869 K1870 | S1332-D1869 WeakPolarHBondContact CB-OD1 3.19Å; S1332-D1869 WeakPolarHBondContact O-CA 3.04Å; S1332-D1869 PolarHBondContact OG-N 2.71Å; S1332-D1869 PolarHBondContact OG-OD1 2.88Å; S1332-K1870 PolarHBondContact O-N 2.71Å |
| 1333 | R | 26.9 | Very low | 29.6 | Very low | 126 Ų | 126 | 118.2 Ų | 118.2 | 48% | 0.475 | 59% | 0.586 | S | S | . | * | | | trans | 12 | 129.4 | -171.9 | -67.2 | -163.6 | -173 | 115.2 | -12.6 | 121 | D1869 K1870 | R1333-D1869 HydrophobicContact CB-CB 4.37Å; R1333-D1869 VanDerWaalsContact CB-CG 3.49Å; R1333-D1869 VanDerWaalsContact CB-OD1 3.31Å; R1333-D1869 WeakPolarHBondContact CB-OD1 3.12Å; R1333-D1869 WeakPolarHBondContact CD-OD2 3.28Å; R1333-D1869 WeakPolarHBondContact CG-OD1 3.08Å; R1333-D1869 WeakPolarHBondContact CG-OD2 3.37Å; R1333-D1869 IonicContact CZ-OD2 3.3Å; R1333-D1869 PolarHBondContact N-OD1 3.13Å; R1333-D1869 IonicContact NE-OD2 3.29Å; R1333-D1869 IonicContact NH1-OD2 3.99Å; R1333-D1869 PolarHBondContact NH1-OD2 3.25Å; R1333-K1870 HydrophobicContact CB-CG 3.99Å; R1333-K1870 WeakPolarHBondContact O-CA 3.15Å; R1333-K1870 WeakPolarHBondContact O-CG 3.18Å; R1333-K1870 PolarHBondContact O-N 3.43Å; R1333-K1870 VanDerWaalsContact O-N 3.08Å |
| 1334 | R | 27.3 | Very low | 30.1 | Very low | 131 Ų | 131 | 116.3 Ų | 116.3 | 49% | 0.494 | 58% | 0.581 | S | S | . | * | | | trans | 51.8 | -168.8 | 131.2 | -44.6 | 173.6 | -168.9 | 165.3 | -0.5 | 116.3 | A1871 | R1334-A1871 WeakPolarHBondContact O-CA 3.21Å; R1334-A1871 PolarHBondContact O-N 3.23Å |
| 1335 | D | 26.7 | Very low | 30.6 | Very low | 37 Ų | 37 | 118.1 Ų | 118.1 | 20% | 0.198 | 59% | 0.587 | C | S | . | * | | | cis | -112.9 | 160.6 | -35.2 | -62.8 | -89.7 | 0 | 0 | 0 | 104.1 | V1337 K1870 A1871 N1872 | D1335-V1337 HydrophobicContact CB-CB 4.17Å; D1335-V1337 HydrophobicContact CB-CG2 4.15Å; D1335-V1337 VanDerWaalsContact OD1-CG2 3.3Å; D1335-V1337 WeakPolarHBondContact OD1-CG2 3.27Å; D1335-K1870 IonicContact OD2-NZ 3.88Å; D1335-K1870 PolarHBondContact OD2-NZ 2.73Å; D1335-A1871 HydrophobicContact CB-CB 4.03Å; D1335-A1871 WeakPolarHBondContact O-CA 3.47Å; D1335-N1872 HydrophobicContact CB-CB 4.49Å; D1335-N1872 VanDerWaalsContact CB-ND2 3.32Å; D1335-N1872 WeakPolarHBondContact CB-ND2 3.23Å; D1335-N1872 PolarHBondContact O-N 2.74Å; D1335-N1872 PolarHBondContact O-OD1 2.83Å; D1335-N1872 VanDerWaalsContact O-OD1 3.11Å |
| 1336 | S | 32.9 | Very low | 30.8 | Very low | 86 Ų | 86 | 114.6 Ų | 114.6 | 60% | 0.601 | 58% | 0.58 | S | S | * | * | | | cis | -100.4 | 162.6 | 30.6 | 20.2 | 0 | 0 | 0 | 0 | 114.5 | N1872 | S1336-N1872 WeakPolarHBondContact CA-ND2 3.34Å; S1336-N1872 WeakPolarHBondContact CB-ND2 3.09Å; S1336-N1872 WeakPolarHBondContact CB-OD1 3.49Å; S1336-N1872 PolarHBondContact N-ND2 2.76Å; S1336-N1872 PolarHBondContact N-OD1 3.17Å; S1336-N1872 PolarHBondContact OG-OD1 3.38Å |
| 1337 | V | 25.5 | Very low | 31.1 | Very low | 65 Ų | 65 | 112.9 Ų | 112.9 | 39% | 0.394 | 58% | 0.576 | S | S | . | * | | | cis | 69.7 | 90.1 | -13.6 | -165 | 0 | 0 | 0 | 0 | 118.2 | D1335 Q1339 | D1335-V1337 HydrophobicContact CB-CB 4.17Å; D1335-V1337 HydrophobicContact CB-CG2 4.15Å; D1335-V1337 VanDerWaalsContact OD1-CG2 3.3Å; D1335-V1337 WeakPolarHBondContact OD1-CG2 3.27Å; V1337-Q1339 HydrophobicContact CG1-CG 3.67Å |
| 1338 | F | 34.5 | Very low | 31.5 | Very low | 143 Ų | 143 | 113.9 Ų | 113.9 | 63% | 0.627 | 58% | 0.58 | S | S | * | * | | | | -138.7 | 114.4 | 117.3 | -113 | -93 | 0 | 0 | 0 | 106.1 | V1874 | F1338-V1874 HydrophobicContact CD2-CG1 4.01Å; F1338-V1874 HydrophobicContact CD2-CG2 4.25Å; F1338-V1874 HydrophobicContact CE2-CG1 3.57Å |
| 1339 | Q | 28.6 | Very low | 31.8 | Very low | 124 Ų | 124 | 110.3 Ų | 110.3 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | | | | 57 | 138.8 | 69.2 | -53.7 | -178.9 | 26.5 | 0 | 0 | 111.6 | V1337 | V1337-Q1339 HydrophobicContact CG1-CG 3.67Š|
| 1340 | S | 32.5 | Very low | 32 | Very low | 86 Ų | 86 | 112 Ų | 112 | 60% | 0.601 | 59% | 0.59 | S | S | * | * | | | cis | -161 | 164.4 | 40.7 | -59.7 | 0 | 0 | 0 | 0 | 110 | | |
| 1341 | K | 35 | Very low | 32.3 | Very low | 156 Ų | 156 | 114 Ų | 114 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | | | cis | -162.7 | 161.6 | -2.7 | -120.4 | 164.2 | -169.7 | 174.1 | 0 | 108.9 | | |
| 1342 | K | 39.5 | Very low | 32.7 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 57% | 0.57 | 61% | 0.613 | S | S | * | * | | | trans | 23.9 | 138.8 | 144.7 | -71.3 | -174.9 | 171.5 | -166.8 | 0 | 119.4 | Q1882 S1883 | K1342-Q1882 PolarHBondContact NZ-O 2.89Å; K1342-S1883 PolarHBondContact NZ-O 2.8Å |
| 1343 | L | 35.4 | Very low | 33.2 | Very low | 149 Ų | 149 | 124.4 Ų | 124.4 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | | | | -150.5 | 167.6 | 60.1 | -154.2 | 63.2 | 0 | 0 | 0 | 114.8 | | |
| 1344 | L | 36.8 | Very low | 33.7 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 70% | 0.702 | 64% | 0.636 | S | S | * | * | | | trans | -33.9 | 153.1 | 178.9 | -77.7 | 60.3 | 0 | 0 | 0 | 116 | | |
| 1345 | K | 35.3 | Very low | 33.8 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | | | cis | -160.3 | -170.8 | 11.4 | -122.7 | -169.9 | 177.6 | -176.5 | 0 | 106.5 | | |
| 1346 | S | 31.8 | Very low | 34.3 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 58% | 0.58 | 68% | 0.682 | S | S | * | * | | | cis | -164.1 | 156.7 | -27.4 | 37.1 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1347 | T | 35.5 | Very low | 34.3 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | | | cis | 81.1 | 126.6 | 15.4 | 69.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1348 | P | 39.7 | Very low | 35 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 70% | 0.699 | S | S | * | * | | | cis | -77.9 | -135.9 | 4.4 | -16.7 | 36.1 | 0 | 0 | 0 | 115.9 | | |
| 1349 | V | 33.8 | Very low | 34.9 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | cis | -147 | 169.6 | 6.8 | -144.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 1350 | N | 31.2 | Very low | 35.2 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 69% | 0.694 | S | S | * | * | | | trans | -138.7 | -176.1 | -173.4 | -50.3 | -33.1 | 0 | 0 | 0 | 111.4 | | |
| 1351 | Q | 33.7 | Very low | 35 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | | | cis | -158.3 | 159 | 3.2 | -143.8 | 143.5 | -30.2 | 0 | 0 | 111.4 | | |
| 1352 | K | 38.1 | Very low | 34.6 | Very low | 203 Ų | 203 | 130.1 Ų | 130.1 | 88% | 0.883 | 70% | 0.702 | S | S | * | * | | | trans | -150.4 | 143.2 | 162.1 | -117.1 | -172.8 | -178.1 | -175.2 | 0 | 110.9 | | |
| 1353 | H | 36.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | | | trans | -153.1 | 148.4 | 166.6 | -87.3 | -86.8 | 0 | 0 | 0 | 106.9 | | |
| 1354 | S | 37.9 | Very low | 33.7 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | | | cis | -172.4 | 126.3 | -27.8 | 41.5 | 0 | 0 | 0 | 0 | 108 | | |
| 1355 | N | 29 | Very low | 33.2 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 90% | 0.904 | 71% | 0.709 | S | S | * | * | | | trans | -99.5 | 124.9 | 169.7 | -80.9 | 8.1 | 0 | 0 | 0 | 109.9 | | |
| 1356 | V | 36.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 76% | 0.758 | 70% | 0.7 | S | S | * | * | | | trans | -144.4 | 129.4 | 163.6 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | T1358 | V1356-T1358 HydrophobicContact CG1-CG2 4.41Š|
| 1357 | S | 33 | Very low | 32.6 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 60% | 0.601 | 71% | 0.711 | S | S | * | * | | | trans | -120.1 | 123.6 | 159.2 | 53.6 | 0 | 0 | 0 | 0 | 108 | | |
| 1358 | T | 41.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 76% | 0.755 | 72% | 0.716 | S | S | * | * | | | trans | -145.2 | 154.6 | 175.1 | 28.3 | 0 | 0 | 0 | 0 | 109.3 | V1356 | V1356-T1358 HydrophobicContact CG1-CG2 4.41Š|
| 1359 | L | 30.9 | Very low | 31.6 | Very low | 79 Ų | 79 | 126.8 Ų | 126.8 | 41% | 0.414 | 70% | 0.699 | S | S | . | * | | | trans | -74.4 | 165.4 | 174 | -103.5 | 96.4 | 0 | 0 | 0 | 113.4 | M1057 T1058 | M1057-L1359 WeakPolarHBondContact O-CD2 3.31Å; T1058-L1359 WeakPolarHBondContact OG1-CD1 3.24Å; T1058-L1359 VanDerWaalsContact OG1-CD2 3.29Å; T1058-L1359 WeakPolarHBondContact OG1-CD2 3.12Å |
| 1360 | L | 35.2 | Very low | 31.4 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | | | trans | -49.4 | 152.2 | 174.5 | -114 | 70.1 | 0 | 0 | 0 | 113.3 | | |
| 1361 | P | 29 | Very low | 31.8 | Very low | 104 Ų | 104 | 126.9 Ų | 126.9 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | | | | -137.4 | 147.7 | 95 | 39.6 | -29.6 | 0 | 0 | 0 | 114.7 | | |
| 1362 | H | 26.4 | Very low | 31.7 | Very low | 165 Ų | 165 | 124.6 Ų | 124.6 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | | | trans | 63.8 | 136 | 175.7 | -51.6 | -78.2 | 0 | 0 | 0 | 116.1 | | |
| 1363 | L | 28 | Very low | 31.1 | Very low | 138 Ų | 138 | 120.5 Ų | 120.5 | 72% | 0.723 | 67% | 0.672 | S | S | * | * | | | cis | -104.4 | -140.1 | -2.9 | -65.2 | 83.7 | 0 | 0 | 0 | 108.5 | | |
| 1364 | L | 27.9 | Very low | 30.5 | Very low | 145 Ų | 145 | 117.2 Ų | 117.2 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | | | cis | -154.5 | -176.2 | -2.2 | -134.7 | 177.6 | 0 | 0 | 0 | 109.1 | | |
| 1365 | N | 26.2 | Very low | 30 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 66% | 0.663 | S | S | * | * | | | trans | -63.5 | 159.3 | -179 | -81.1 | -36.7 | 0 | 0 | 0 | 115.9 | | |
| 1366 | S | 26.6 | Very low | 29.9 | Very low | 87 Ų | 87 | 112.7 Ų | 112.7 | 61% | 0.608 | 64% | 0.637 | S | S | * | * | | | cis | -170.8 | 164.4 | -21.6 | -114.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1367 | I | 28.6 | Very low | 29.8 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 83% | 0.831 | 63% | 0.629 | S | S | * | * | | | trans | 12.7 | 139.8 | 139.6 | -49.8 | 177.2 | 0 | 0 | 0 | 118.5 | | |
| 1368 | A | 26.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 115.9 Ų | 115.9 | 72% | 0.719 | 63% | 0.631 | S | S | * | * | | | trans | -53.7 | 160.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1369 | L | 26.9 | Very low | 28.5 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 42% | 0.419 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -68.6 | 137.3 | 157.2 | -79.3 | 159.4 | 0 | 0 | 0 | 108.9 | P358 R1371 | P358-L1369 HydrophobicContact CB-CD1 3.91Å; P358-L1369 HydrophobicContact CG-CD1 3.54Å; P358-L1369 VanDerWaalsContact O-CD1 3.3Å; P358-L1369 WeakPolarHBondContact O-CD1 3.36Å; L1369-R1371 HydrophobicContact CD2-CB 4.42Å; L1369-R1371 HydrophobicContact CD2-CG 4.03Å |
| 1370 | P | 29.9 | Very low | 28.4 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 56% | 0.558 | 64% | 0.638 | S | S | * | * | | | | -129.4 | 131 | 54.4 | 35.2 | -20.7 | 0 | 0 | 0 | 116.8 | T360 T361 P1372 | T360-P1370 VanDerWaalsContact CB-CB 3.46Å; T360-P1370 HydrophobicContact CG2-CB 4.14Å; T360-P1370 VanDerWaalsContact OG1-CA 3.23Å; T360-P1370 WeakPolarHBondContact OG1-CA 3.4Å; T360-P1370 WeakPolarHBondContact OG1-CB 3.35Å; T361-P1370 HydrophobicContact CG2-CB 4.46Å; P1370-P1372 VanDerWaalsContact O-CD 3.27Å; P1370-P1372 WeakPolarHBondContact O-CD 3.47Å |
| 1371 | R | 38.8 | Very low | 27.9 | Very low | 170 Ų | 170 | 116 Ų | 116 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | | | trans | -71.1 | 127.8 | 174.9 | -80.7 | 173.9 | 161.1 | -179.3 | -4.4 | 112.8 | T360 T361 L1369 | T360-R1371 CarbonylContact C-O 3.55Å; T361-R1371 WeakPolarHBondContact CB-O 3.47Å; T361-R1371 WeakPolarHBondContact CG2-O 3.18Å; T361-R1371 PolarHBondContact N-O 3.27Å; T361-R1371 PolarHBondContact OG1-O 2.87Å; L1369-R1371 HydrophobicContact CD2-CB 4.42Å; L1369-R1371 HydrophobicContact CD2-CG 4.03Å |
| 1372 | P | 32 | Very low | 27.7 | Very low | 87 Ų | 87 | 117.1 Ų | 117.1 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | | | | -126.2 | 147.9 | 128.3 | 35.8 | -27.8 | 0 | 0 | 0 | 109.6 | T361 P1370 | T361-P1372 HydrophobicContact CG2-CB 3.83Å; T361-P1372 HydrophobicContact CG2-CG 3.71Å; P1370-P1372 VanDerWaalsContact O-CD 3.27Å; P1370-P1372 WeakPolarHBondContact O-CD 3.47Å |
| 1373 | L | 26.7 | Very low | 27.7 | Very low | 117 Ų | 117 | 112.6 Ų | 112.6 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | | | cis | -113.5 | 151.3 | -12.9 | -66.9 | 168.5 | 0 | 0 | 0 | 105.5 | F363 | F363-L1373 HydrophobicContact CZ-CD2 4.26Š|
| 1374 | S | 23.8 | Very low | 27.7 | Very low | 94 Ų | 94 | 110.3 Ų | 110.3 | 66% | 0.657 | 60% | 0.598 | S | S | * | * | | | | 57.3 | 41.3 | 53.2 | 86.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1375 | L | 26.6 | Very low | 27.7 | Very low | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | | | trans | -156.1 | 90.5 | 150.3 | -139 | 72.5 | 0 | 0 | 0 | 115.1 | F438 | F438-L1375 HydrophobicContact CD2-CD2 4.43Å; F438-L1375 HydrophobicContact CE2-CB 3.95Å; F438-L1375 HydrophobicContact CE2-CD2 3.55Å; F438-L1375 HydrophobicContact CE2-CG 3.61Å; F438-L1375 WeakPolarHBondContact CE2-O 3.48Å; F438-L1375 HydrophobicContact CZ-CD2 4.06Å; F438-L1375 HydrophobicContact CZ-CG 4.16Å |
| 1376 | V | 27.2 | Very low | 27.8 | Very low | 59 Ų | 59 | 108.9 Ų | 108.9 | 36% | 0.358 | 58% | 0.578 | S | S | . | * | | | trans | 62.7 | 169.2 | 147.4 | 174.5 | 0 | 0 | 0 | 0 | 115.3 | T436 F438 L1378 | T436-V1376 WeakPolarHBondContact CG2-O 3.28Å; F438-V1376 HydrophobicContact CD2-CB 4.44Å; F438-V1376 HydrophobicContact CE1-CB 4.47Å; F438-V1376 HydrophobicContact CE1-CG1 3.96Å; F438-V1376 HydrophobicContact CE2-CB 3.53Å; F438-V1376 HydrophobicContact CE2-CG1 3.89Å; F438-V1376 HydrophobicContact CE2-CG2 4.32Å; F438-V1376 HydrophobicContact CZ-CB 3.54Å; F438-V1376 HydrophobicContact CZ-CG1 3.49Å; F438-V1376 VanDerWaalsContact CZ-CG1 3.49Å; F438-V1376 HydrophobicContact CZ-CG2 4.08Å; V1376-L1378 HydrophobicContact CG1-CD1 4.29Å; V1376-L1378 HydrophobicContact CG2-CD1 4.29Å |
| 1377 | R | 34.5 | Very low | 27.7 | Very low | 158 Ų | 158 | 109.7 Ų | 109.7 | 60% | 0.596 | 58% | 0.582 | S | S | * | * | | | cis | -85.1 | 127.2 | -22.4 | -124.1 | 140.6 | -161 | -176.3 | 4.4 | 107 | G439 | G439-R1377 PolarHBondContact O-NH1 3.22Š|
| 1378 | L | 24.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 63% | 0.628 | 58% | 0.582 | S | S | * | * | | | | 48 | 107.9 | 75.9 | -69.3 | 168.5 | 0 | 0 | 0 | 109.2 | V1376 | V1376-L1378 HydrophobicContact CG1-CD1 4.29Å; V1376-L1378 HydrophobicContact CG2-CD1 4.29Å |
| 1379 | T | 23.1 | Very low | 27.7 | Very low | 94 Ų | 94 | 116.5 Ų | 116.5 | 58% | 0.577 | 58% | 0.584 | S | S | * | * | | | | 44.4 | 120.9 | 96.8 | 67.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1380 | T | 27 | Very low | 27.6 | Very low | 121 Ų | 121 | 117.1 Ų | 117.1 | 74% | 0.742 | 60% | 0.595 | S | S | * | * | | | | -140.5 | 136.7 | 71.1 | 29.1 | 0 | 0 | 0 | 0 | 112 | | |
| 1381 | E | 25.4 | Very low | 27.4 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | | | | 64.4 | 147.5 | 71.3 | -63.9 | -173.6 | 159.9 | 0 | 0 | 113.1 | | |
| 1382 | K | 25.6 | Very low | 27.1 | Very low | 127 Ų | 127 | 121.2 Ų | 121.2 | 55% | 0.552 | 61% | 0.611 | S | S | * | * | | | cis | -155.6 | 128 | 1.4 | -120.6 | 159.4 | -167.9 | 151.5 | 0 | 106.7 | | |
| 1383 | S | 26.5 | Very low | 26.9 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 49% | 0.49 | 62% | 0.618 | S | S | . | * | | | | 70.7 | 170.1 | 100 | 80.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1384 | K | 27.1 | Very low | 26.9 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 40% | 0.396 | 62% | 0.624 | S | S | . | * | | | trans | 74 | 137 | 171.2 | -55.5 | 137.6 | -172.4 | -164.6 | 0 | 112.7 | N1642 N1643 | K1384-N1642 WeakPolarHBondContact CE-O 3.31Å; K1384-N1642 PolarHBondContact NZ-O 2.69Å; K1384-N1643 VanDerWaalsContact CD-OD1 3.27Å; K1384-N1643 WeakPolarHBondContact CD-OD1 3.2Å |
| 1385 | Y | 27.3 | Very low | 27.3 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 51% | 0.506 | 62% | 0.624 | S | S | . | * | | | cis | -161.7 | 167.4 | 24.3 | -107.9 | -14.1 | 0 | 0 | 0 | 109 | N1642 N1643 | Y1385-N1642 WeakPolarHBondContact OH-CA 3.32Å; Y1385-N1643 HydrophobicContact CE2-CB 3.91Å; Y1385-N1643 PolarHBondContact OH-N 2.67Å; Y1385-N1643 PolarHBondContact OH-O 2.82Å |
| 1386 | H | 29.1 | Very low | 27.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 56% | 0.56 | 63% | 0.631 | S | S | * | * | | | cis | -176 | 149.1 | -18.9 | -152.8 | -0.5 | 0 | 0 | 0 | 109.9 | | |
| 1387 | C | 25 | Very low | 27.9 | Very low | 104 Ų | 104 | 134 Ų | 134 | 70% | 0.703 | 64% | 0.64 | S | S | * | * | | | trans | 66.5 | 169.9 | 164.5 | -65 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1388 | R | 29.4 | Very low | 27.9 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 82% | 0.823 | 65% | 0.645 | S | S | * | * | | | cis | -159.9 | 151 | -2.7 | -136.2 | -176 | -172.3 | -173.7 | 4.1 | 111.2 | | |
| 1389 | K | 25.5 | Very low | 28.2 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 76% | 0.757 | 66% | 0.656 | S | S | * | * | | | trans | 33.9 | 114.4 | 138.7 | -84.4 | -165.2 | 172.5 | -160.9 | 0 | 122.7 | | |
| 1390 | S | 24.6 | Very low | 28.6 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 65% | 0.65 | 67% | 0.667 | S | S | * | * | | | | 69.7 | 152.5 | 113.5 | 73.5 | 0 | 0 | 0 | 0 | 125.1 | | |
| 1391 | F | 26.2 | Very low | 29 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 78% | 0.781 | 66% | 0.661 | S | S | * | * | | | trans | 99.9 | 129.9 | 150.6 | -94.6 | -83 | 0 | 0 | 0 | 120.7 | | |
| 1392 | E | 31.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | | | trans | 52 | 163.3 | 158.5 | -80.9 | 153.1 | -148.5 | 0 | 0 | 120.9 | | |
| 1393 | H | 28.4 | Very low | 29.5 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 70% | 0.704 | 65% | 0.647 | S | S | * | * | | | cis | 171.9 | 126.8 | -35.3 | -156.2 | -77.1 | 0 | 0 | 0 | 105.2 | | |
| 1394 | Y | 27.2 | Very low | 29.4 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 74% | 0.737 | 66% | 0.655 | S | S | * | * | | | trans | 61.6 | 135.7 | 154.2 | -92.4 | -141.8 | 0 | 0 | 0 | 124.1 | | |
| 1395 | I | 30.8 | Very low | 29.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 66% | 0.656 | 67% | 0.67 | S | S | * | * | | | trans | 84.2 | 135 | 139.8 | -73.5 | 175.9 | 0 | 0 | 0 | 120.1 | | |
| 1396 | K | 35.2 | Very low | 29.6 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 70% | 0.7 | 67% | 0.67 | S | S | * | * | | | trans | 69.7 | 137.5 | 170.5 | -76.2 | 158.9 | -172.2 | 171.9 | 0 | 116.6 | | |
| 1397 | N | 31.5 | Very low | 29.8 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 54% | 0.54 | 66% | 0.664 | S | S | . | * | | | cis | -163.6 | -173.2 | -21.6 | -141 | -18.4 | 0 | 0 | 0 | 107.7 | T1403 | N1397-T1403 WeakPolarHBondContact CA-OG1 3.1Å; N1397-T1403 HydrophobicContact CB-CG2 3.9Å; N1397-T1403 WeakPolarHBondContact CB-OG1 3.1Å; N1397-T1403 PolarHBondContact N-OG1 2.65Å; N1397-T1403 PolarHBondContact O-N 3.01Å; N1397-T1403 VanDerWaalsContact O-N 3.09Å |
| 1398 | K | 35.5 | Very low | 30.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 70% | 0.704 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -2.9 | 141.4 | 170 | -62.5 | -174.5 | 175.3 | -173.1 | 0 | 119.8 | T1403 | K1398-T1403 HydrophobicContact CB-CG2 3.74Å; K1398-T1403 WeakPolarHBondContact O-CG2 3.27Å |
| 1399 | E | 30 | Very low | 30.6 | Very low | 182 Ų | 182 | 127.3 Ų | 127.3 | 85% | 0.85 | 62% | 0.624 | S | S | * | * | S | Bend | trans | 63.5 | 161.4 | 176.4 | -60.5 | -170.6 | 145.1 | 0 | 0 | 114.4 | K1401 | E1399-K1401 PolarHBondContact O-N 3.15Š|
| 1400 | S | 31.8 | Very low | 30.9 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -45.7 | 100.1 | -166.6 | 53.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 1401 | K | 36 | Very low | 31.3 | Very low | 143 Ų | 143 | 121.3 Ų | 121.3 | 62% | 0.622 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 51.2 | 97.7 | -178.5 | -63.4 | 179.3 | -177.8 | 177.1 | 0 | 112.6 | E1399 K1409 | E1399-K1401 PolarHBondContact O-N 3.15Å; K1401-K1409 PolarHBondContact NZ-O 2.74Å |
| 1402 | V | 26.1 | Very low | 31.6 | Very low | 87 Ų | 87 | 118.5 Ų | 118.5 | 53% | 0.527 | 59% | 0.59 | S | S | . | * | S | Bend | trans | 74.4 | 108.4 | 168.7 | -168.5 | 0 | 0 | 0 | 0 | 114.4 | N1404 L1405 | V1402-N1404 CarbonylContact O-C 3.38Å; V1402-N1404 VanDerWaalsContact O-C 3.26Å; V1402-N1404 WeakPolarHBondContact O-CA 3.25Å; V1402-N1404 PolarHBondContact O-N 3.12Å; V1402-L1405 PolarHBondContact O-N 3.4Å |
| 1403 | T | 33.8 | Very low | 31.7 | Very low | 47 Ų | 47 | 117.8 Ų | 117.8 | 29% | 0.288 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -64.1 | 110.5 | 140.7 | 57.2 | 0 | 0 | 0 | 0 | 108.5 | N1397 K1398 | N1397-T1403 WeakPolarHBondContact CA-OG1 3.1Å; N1397-T1403 HydrophobicContact CB-CG2 3.9Å; N1397-T1403 WeakPolarHBondContact CB-OG1 3.1Å; N1397-T1403 PolarHBondContact N-OG1 2.65Å; N1397-T1403 PolarHBondContact O-N 3.01Å; N1397-T1403 VanDerWaalsContact O-N 3.09Å; K1398-T1403 HydrophobicContact CB-CG2 3.74Å; K1398-T1403 WeakPolarHBondContact O-CG2 3.27Å |
| 1404 | N | 24.7 | Very low | 32 | Very low | 125 Ų | 125 | 113.6 Ų | 113.6 | 67% | 0.668 | 59% | 0.589 | S | S | * | * | S | Bend | cis | -125.2 | 155.6 | -9.9 | -66.3 | -78.5 | 0 | 0 | 0 | 109.6 | V1402 | V1402-N1404 CarbonylContact O-C 3.38Å; V1402-N1404 VanDerWaalsContact O-C 3.26Å; V1402-N1404 WeakPolarHBondContact O-CA 3.25Å; V1402-N1404 PolarHBondContact O-N 3.12Å |
| 1405 | L | 28.5 | Very low | 32 | Very low | 136 Ų | 136 | 111.8 Ų | 111.8 | 71% | 0.712 | 59% | 0.593 | S | S | * | * | | | trans | 102 | 122.5 | 153.4 | -57 | 149.7 | 0 | 0 | 0 | 117.4 | V1402 | V1402-L1405 PolarHBondContact O-N 3.4Š|
| 1406 | N | 29.7 | Very low | 31.8 | Very low | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | | | trans | 82 | 107.7 | 148.5 | -56.5 | -30.2 | 0 | 0 | 0 | 118.9 | | |
| 1407 | F | 35.2 | Very low | 32 | Very low | 98 Ų | 98 | 107.5 Ų | 107.5 | 43% | 0.43 | 58% | 0.579 | S | S | . | * | | | | 42 | 119.9 | 119.6 | -66.1 | -76.9 | 0 | 0 | 0 | 116.8 | R1890 I1891 | F1407-R1890 WeakPolarHBondContact CB-O 3.4Å; F1407-R1890 VanDerWaalsContact CD2-O 3.23Å; F1407-R1890 WeakPolarHBondContact CD2-O 3.08Å; F1407-R1890 WeakPolarHBondContact CG-O 3.49Å; F1407-I1891 HydrophobicContact CB-CB 3.95Å; F1407-I1891 WeakPolarHBondContact O-CG2 3.03Å |
| 1408 | D | 34.6 | Very low | 32 | Very low | 65 Ų | 65 | 106.9 Ų | 106.9 | 35% | 0.348 | 57% | 0.574 | S | S | . | * | | | cis | -173.5 | 176.4 | 6 | -151.5 | -31.8 | 0 | 0 | 0 | 105.3 | I1891 M1892 | D1408-I1891 WeakPolarHBondContact CB-O 3.19Å; D1408-M1892 HydrophobicContact CB-CB 3.53Å; D1408-M1892 VanDerWaalsContact O-CB 3.23Å; D1408-M1892 WeakPolarHBondContact O-CB 3.1Å; D1408-M1892 VanDerWaalsContact O-CG 3.23Å; D1408-M1892 WeakPolarHBondContact O-CG 3.23Å |
| 1409 | K | 35.9 | Very low | 31.9 | Very low | 78 Ų | 78 | 102.3 Ų | 102.3 | 34% | 0.339 | 56% | 0.56 | S | S | . | * | | | trans | 23 | -133.4 | 160.6 | -66.7 | 136.9 | 65.2 | -163.4 | 0 | 121.1 | K1401 T1893 T1894 | K1401-K1409 PolarHBondContact NZ-O 2.74Å; K1409-T1893 PolarHBondContact NZ-O 3.08Å; K1409-T1894 WeakPolarHBondContact CB-OG1 3.49Å; K1409-T1894 WeakPolarHBondContact CE-O 3.35Å; K1409-T1894 WeakPolarHBondContact CE-OG1 3.31Å; K1409-T1894 PolarHBondContact NZ-O 2.84Å |
| 1410 | D | 32.3 | Very low | 32 | Very low | 92 Ų | 92 | 97.4 Ų | 97.4 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | | | trans | -171.8 | -133 | -142.2 | 42.6 | -107.3 | 0 | 0 | 0 | 115.7 | T1893 T1894 | D1410-T1893 PolarHBondContact N-OG1 3.1Å; D1410-T1893 VanDerWaalsContact N-OG1 3.13Å; D1410-T1893 WeakPolarHBondContact O-CB 3.36Å; D1410-T1893 PolarHBondContact O-OG1 2.83Å; D1410-T1894 WeakPolarHBondContact OD2-CB 3.23Å; D1410-T1894 WeakPolarHBondContact OD2-CG2 3.15Å; D1410-T1894 PolarHBondContact OD2-OG1 2.96Å |
| 1411 | S | 32.9 | Very low | 32 | Very low | 50 Ų | 50 | 95.1 Ų | 95.1 | 35% | 0.35 | 53% | 0.53 | S | S | . | . | | | trans | 77.2 | 137.1 | -173.2 | 39.2 | 0 | 0 | 0 | 0 | 123.7 | T1894 | S1411-T1894 VanDerWaalsContact OG-CG2 3.28Å; S1411-T1894 WeakPolarHBondContact OG-CG2 3.29Å |
| 1412 | N | 32.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | | | trans | 70.9 | 99.6 | 160 | -79.7 | 72.9 | 0 | 0 | 0 | 120 | | |
| 1413 | D | 32.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 94 Ų | 94 | 80% | 0.797 | 53% | 0.525 | S | S | * | . | | | trans | 59.7 | 92.8 | 136.5 | -49.3 | -29.9 | 0 | 0 | 0 | 119.3 | | |
| 1414 | G | 34.4 | Very low | 31.3 | Very low | 64 Ų | 64 | 96.3 Ų | 96.3 | 66% | 0.66 | 54% | 0.536 | S | S | * | . | | | | 115.9 | 100.1 | 100.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 1415 | N | 28.4 | Very low | 31.3 | Very low | 151 Ų | 151 | 94.9 Ų | 94.9 | 81% | 0.807 | 53% | 0.532 | S | S | * | . | | | trans | 70.2 | 129.7 | 145.9 | -71.8 | 52.6 | 0 | 0 | 0 | 117.6 | | |
| 1416 | N | 26.4 | Very low | 31.2 | Very low | 86 Ų | 86 | 94.3 Ų | 94.3 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | | | cis | -132.7 | 126.8 | 6.1 | -73.2 | -40.7 | 0 | 0 | 0 | 110.1 | S1585 | N1416-S1585 WeakPolarHBondContact CB-OG 3.36Å; N1416-S1585 PolarHBondContact ND2-OG 3.13Å; N1416-S1585 VanDerWaalsContact ND2-OG 3.15Å; N1416-S1585 PolarHBondContact OD1-OG 3.36Å |
| 1417 | D | 38.9 | Very low | 30.9 | Very low | 113 Ų | 113 | 95.3 Ų | 95.3 | 60% | 0.604 | 55% | 0.548 | S | S | * | . | | | trans | -133.4 | 128.7 | 171.3 | -78.6 | -63.4 | 0 | 0 | 0 | 109.3 | N1941 | D1417-N1941 PolarHBondContact O-ND2 2.76Š|
| 1418 | I | 31.6 | Very low | 30.4 | Very low | 87 Ų | 87 | 94.6 Ų | 94.6 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | | | | 73.9 | 119.5 | 53.7 | -58.4 | 168.6 | 0 | 0 | 0 | 111 | P1583 S1584 | I1418-P1583 HydrophobicContact CB-CB 4.43Å; I1418-P1583 HydrophobicContact CG1-CB 3.86Å; I1418-P1583 HydrophobicContact CG1-CG 4.18Å; I1418-P1583 HydrophobicContact CG2-CB 4.26Å; I1418-S1584 WeakPolarHBondContact CG1-OG 3.4Å |
| 1419 | T | 32.6 | Very low | 30.1 | Very low | 67 Ų | 67 | 99.2 Ų | 99.2 | 41% | 0.411 | 58% | 0.575 | S | S | . | * | | | cis | 178 | 159.9 | -40.6 | 27.7 | 0 | 0 | 0 | 0 | 112.2 | S1582 P1583 | T1419-S1582 WeakPolarHBondContact OG1-CB 3.43Å; T1419-S1582 PolarHBondContact OG1-OG 3.04Å; T1419-P1583 HydrophobicContact CG2-CB 3.77Å; T1419-P1583 WeakPolarHBondContact OG1-CB 3.07Å |
| 1420 | S | 32.4 | Very low | 29.9 | Very low | 79 Ų | 79 | 100.2 Ų | 100.2 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | | | trans | 1.1 | 148.6 | 154.6 | 41.2 | 0 | 0 | 0 | 0 | 123.2 | S1582 | S1420-S1582 WeakPolarHBondContact CB-OG 3.42Å; S1420-S1582 PolarHBondContact O-OG 2.86Å; S1420-S1582 PolarHBondContact OG-OG 2.92Å |
| 1421 | S | 31.9 | Very low | 29.5 | Very low | 69 Ų | 69 | 103.3 Ų | 103.3 | 48% | 0.483 | 60% | 0.603 | S | S | . | * | | | trans | 88.1 | 166.8 | 133.4 | 66.8 | 0 | 0 | 0 | 0 | 122.1 | L1580 S1582 | S1421-L1580 WeakPolarHBondContact OG-CD2 3.14Å; S1421-L1580 VanDerWaalsContact OG-CG 3.32Å; S1421-L1580 WeakPolarHBondContact OG-CG 2.95Å; S1421-S1582 PolarHBondContact OG-OG 2.86Å |
| 1422 | I | 28 | Very low | 29.6 | Very low | 123 Ų | 123 | 105.5 Ų | 105.5 | 63% | 0.631 | 62% | 0.616 | S | S | * | * | | | trans | 78.6 | 96.2 | -156.1 | -49.9 | -166.2 | 0 | 0 | 0 | 110.8 | L1580 | I1422-L1580 HydrophobicContact CB-CD1 4.42Å; I1422-L1580 HydrophobicContact CB-CD2 4.31Å; I1422-L1580 HydrophobicContact CD1-CD2 4.09Å; I1422-L1580 HydrophobicContact CG1-CD1 3.92Å; I1422-L1580 HydrophobicContact CG1-CD2 3.2Å; I1422-L1580 HydrophobicContact CG1-CG 4.09Å |
| 1423 | I | 27.9 | Very low | 29.5 | Very low | 82 Ų | 82 | 108.4 Ų | 108.4 | 42% | 0.421 | 62% | 0.623 | S | S | . | * | | | cis | 80.5 | 148.8 | 32.5 | -111.7 | 157.3 | 0 | 0 | 0 | 114.6 | V1578 L1579 L1580 | I1423-V1578 HydrophobicContact CG1-CG2 4.1Å; I1423-V1578 HydrophobicContact CG2-CB 4.38Å; I1423-V1578 HydrophobicContact CG2-CG1 3.93Å; I1423-V1578 HydrophobicContact CG2-CG2 4.35Å; I1423-L1579 HydrophobicContact CG2-CD2 3.7Å; I1423-L1579 HydrophobicContact CG2-CG 3.91Å; I1423-L1580 HydrophobicContact CB-CD1 3.86Å; I1423-L1580 HydrophobicContact CD1-CD1 3.81Å; I1423-L1580 HydrophobicContact CG1-CD1 4.46Å; I1423-L1580 HydrophobicContact CG2-CD1 3.8Å |
| 1424 | D | 25.6 | Very low | 29.2 | Very low | 97 Ų | 97 | 108.3 Ų | 108.3 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | | | trans | 64.3 | 116 | -168.2 | -71.1 | -30.4 | 0 | 0 | 0 | 116.8 | V1578 | D1424-V1578 WeakPolarHBondContact OD1-CG1 3.36Å; D1424-V1578 WeakPolarHBondContact OD1-CG2 3.45Å; D1424-V1578 VanDerWaalsContact OD2-CG1 3.23Å; D1424-V1578 WeakPolarHBondContact OD2-CG1 3.31Å |
| 1425 | V | 25.9 | Very low | 29 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | | | cis | 92.7 | 97.4 | 44.8 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1426 | T | 24.4 | Very low | 28.9 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 77% | 0.767 | 63% | 0.63 | S | S | * | * | | | trans | 46.1 | 133 | 150.5 | 65 | 0 | 0 | 0 | 0 | 121.1 | | |
| 1427 | S | 25.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 114.7 Ų | 114.7 | 80% | 0.797 | 64% | 0.638 | S | S | * | * | | | | -169 | 153.6 | 111.6 | 41.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1428 | S | 23.6 | Very low | 28.3 | Very low | 83 Ų | 83 | 117.9 Ų | 117.9 | 58% | 0.58 | 65% | 0.649 | S | S | * | * | | | trans | -24.2 | 156.7 | 167 | 45.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1429 | H | 29.2 | Very low | 28.1 | Very low | 163 Ų | 163 | 118.6 Ų | 118.6 | 76% | 0.755 | 66% | 0.662 | S | S | * | * | | | | -167.9 | 162.9 | 60.7 | -75 | -86.6 | 0 | 0 | 0 | 110.6 | | |
| 1430 | T | 30.3 | Very low | 27.9 | Very low | 99 Ų | 99 | 123.6 Ų | 123.6 | 61% | 0.607 | 69% | 0.685 | S | S | * | * | | | cis | -171.2 | 132.2 | -14.3 | 29.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1431 | L | 24.7 | Very low | 28.3 | Very low | 156 Ų | 156 | 124.8 Ų | 124.8 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | | | trans | 58.5 | 163 | 147.4 | -80.9 | 87.1 | 0 | 0 | 0 | 120.5 | | |
| 1432 | P | 35.9 | Very low | 28.4 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 63% | 0.63 | 70% | 0.702 | S | S | * | * | | | cis | -144.5 | -177.2 | -38.1 | 40.9 | -23.4 | 0 | 0 | 0 | 115.8 | | |
| 1433 | K | 29 | Very low | 28.3 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 78% | 0.778 | 71% | 0.705 | S | S | * | * | | | trans | 94.5 | 116.2 | 152.8 | -67.9 | 169.9 | -179.7 | 176 | 0 | 122.3 | | |
| 1434 | N | 26.1 | Very low | 28.3 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | | | trans | 56.9 | 115.5 | 134.4 | -56.4 | -0.6 | 0 | 0 | 0 | 119.9 | | |
| 1435 | K | 30.6 | Very low | 28.4 | Very low | 189 Ų | 189 | 127.8 Ų | 127.8 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | | | | -167.8 | 145.3 | 67.8 | -84.8 | 176.7 | 177.9 | 175.7 | 0 | 113.7 | | |
| 1436 | I | 27.5 | Very low | 28.5 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | | | | 22.6 | 128.3 | 119.3 | -45.1 | 171.8 | 0 | 0 | 0 | 115.6 | | |
| 1437 | S | 26 | Very low | 28.6 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 64% | 0.643 | 71% | 0.71 | S | S | * | * | | | cis | -169 | 154 | 26.6 | 27.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1438 | H | 26 | Very low | 28.6 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | | | trans | 64.5 | 136.1 | 141.2 | -65.6 | -58 | 0 | 0 | 0 | 125.7 | | |
| 1439 | S | 27.1 | Very low | 28.6 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | 85.6 | 99.2 | 134.6 | 59.6 | 0 | 0 | 0 | 0 | 125.1 | | |
| 1440 | L | 28.4 | Very low | 28.4 | Very low | 172 Ų | 172 | 125.3 Ų | 125.3 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | | | | 75.4 | 159.8 | 128.1 | -87.2 | 76.3 | 0 | 0 | 0 | 121.5 | | |
| 1441 | P | 41.6 | Very low | 28.4 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 68% | 0.682 | 72% | 0.723 | S | S | * | * | | | trans | -116.5 | -174.4 | -145.9 | 46.5 | -38 | 0 | 0 | 0 | 115.4 | | |
| 1442 | P | 33.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 126.8 Ų | 126.8 | 70% | 0.701 | 72% | 0.724 | S | S | * | * | | | | -144.2 | -161.1 | 90.9 | 41.1 | -24 | 0 | 0 | 0 | 114.5 | | |
| 1443 | S | 26.3 | Very low | 28.1 | Very low | 101 Ų | 101 | 128.3 Ų | 128.3 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -95.8 | 143.4 | -162.5 | 53.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1444 | N | 27.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 125.3 Ų | 125.3 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | | | | -163.6 | 173.3 | 119.1 | -86.1 | -8.4 | 0 | 0 | 0 | 105.9 | | |
| 1445 | T | 27.5 | Very low | 27.8 | Very low | 82 Ų | 82 | 125.7 Ų | 125.7 | 50% | 0.503 | 72% | 0.722 | S | S | . | * | | | cis | -151.5 | -158.2 | 32.9 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | A1282 D1283 | A1282-T1445 VanDerWaalsContact O-CG2 3.24Å; A1282-T1445 WeakPolarHBondContact O-CG2 3.45Å; D1283-T1445 VanDerWaalsContact O-CB 3.25Å; D1283-T1445 WeakPolarHBondContact O-CB 3.17Å; D1283-T1445 VanDerWaalsContact O-CG2 3.31Å; D1283-T1445 WeakPolarHBondContact O-CG2 3.2Å |
| 1446 | T | 28.4 | Very low | 27.5 | Very low | 60 Ų | 60 | 120.6 Ų | 120.6 | 37% | 0.368 | 71% | 0.71 | S | S | . | * | | | trans | -23.2 | 148.7 | 165.1 | 49.9 | 0 | 0 | 0 | 0 | 118.7 | T1284 | T1284-T1446 WeakPolarHBondContact O-CG2 3.23Å; T1284-T1446 PolarHBondContact O-N 2.96Å |
| 1447 | I | 25.5 | Very low | 27.4 | Very low | 147 Ų | 147 | 119.6 Ų | 119.6 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | | | trans | 45.8 | 91.4 | 137.3 | -51.3 | 167.7 | 0 | 0 | 0 | 115.1 | | |
| 1448 | S | 25.1 | Very low | 27.4 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 83% | 0.825 | 69% | 0.689 | S | S | * | * | | | | -133.5 | 135.9 | 109.5 | -80.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 1449 | S | 23.9 | Very low | 27.5 | Very low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 68% | 0.681 | S | S | * | * | | | trans | -19.4 | 142.3 | 158.9 | -44 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1450 | S | 25.4 | Very low | 27.6 | Very low | 106 Ų | 106 | 116.1 Ų | 116.1 | 74% | 0.741 | 68% | 0.675 | S | S | * | * | | | trans | 49.4 | 122 | 148.4 | 57 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1451 | T | 30.3 | Very low | 27.5 | Very low | 126 Ų | 126 | 114.2 Ų | 114.2 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | | | cis | -161.2 | 152.8 | 44.9 | -34.7 | 0 | 0 | 0 | 0 | 112.2 | T1453 | T1451-T1453 PolarHBondContact O-N 2.56Å; T1451-T1453 VanDerWaalsContact O-N 3.08Å |
| 1452 | L | 25.6 | Very low | 26.7 | Very low | 160 Ų | 160 | 114.3 Ų | 114.3 | 84% | 0.838 | 67% | 0.667 | S | S | * | * | | | trans | -53.4 | 103.8 | 161 | -77.9 | 148.3 | 0 | 0 | 0 | 112.4 | | |
| 1453 | T | 28.6 | Very low | 26.4 | Very low | 129 Ų | 129 | 115.7 Ų | 115.7 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | | | trans | -125.5 | 107.7 | 142.6 | 40.9 | 0 | 0 | 0 | 0 | 108.1 | T1451 | T1451-T1453 PolarHBondContact O-N 2.56Å; T1451-T1453 VanDerWaalsContact O-N 3.08Å |
| 1454 | N | 24.4 | Very low | 26.9 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | | | | 50.3 | 114.3 | 77.8 | -88.9 | -46.6 | 0 | 0 | 0 | 114.4 | | |
| 1455 | Q | 24.7 | Very low | 26.6 | Very low | 154 Ų | 154 | 114.5 Ų | 114.5 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | | | trans | 76.3 | 108.6 | 134.2 | -61.4 | 167.5 | 28.4 | 0 | 0 | 119.1 | | |
| 1456 | S | 23.9 | Very low | 26.4 | Very low | 82 Ų | 82 | 118.5 Ų | 118.5 | 57% | 0.573 | 66% | 0.656 | S | S | * | * | | | | 73.4 | 151.8 | 127.8 | 62.1 | 0 | 0 | 0 | 0 | 118.4 | Y1465 | S1456-Y1465 WeakPolarHBondContact CB-OH 3.3Š|
| 1457 | Y | 26.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 124.4 Ų | 124.4 | 52% | 0.522 | 67% | 0.673 | S | S | . | * | | | cis | -143.4 | 129.4 | 45.8 | -101.2 | -123.4 | 0 | 0 | 0 | 114.5 | Y1465 Y1466 | Y1457-Y1465 VanDerWaalsContact CA-OH 3.22Å; Y1457-Y1465 WeakPolarHBondContact CA-OH 3.34Å; Y1457-Y1465 HydrophobicContact CD1-CD1 4.19Å; Y1457-Y1465 AromaticContact CD1-CE1 3.21Å; Y1457-Y1465 HydrophobicContact CD1-CE1 3.21Å; Y1457-Y1465 AromaticContact CD1-CZ 3.81Å; Y1457-Y1465 WeakPolarHBondContact CD2-OH 3.32Å; Y1457-Y1465 HydrophobicContact CE1-CD1 4.48Å; Y1457-Y1465 AromaticContact CE1-CE1 3.65Å; Y1457-Y1465 HydrophobicContact CE1-CE1 3.65Å; Y1457-Y1465 AromaticContact CG-CE1 3.61Å; Y1457-Y1465 HydrophobicContact CG-CE1 3.61Å; Y1457-Y1465 AromaticContact CG-CZ 3.86Å; Y1457-Y1466 HydrophobicContact CE1-CD2 4.37Å; Y1457-Y1466 WeakPolarHBondContact OH-CD2 3.44Å; Y1457-Y1466 WeakPolarHBondContact OH-CE2 3.15Å |
| 1458 | S | 26.4 | Very low | 26.1 | Very low | 69 Ų | 69 | 127.4 Ų | 127.4 | 48% | 0.483 | 68% | 0.676 | S | S | . | * | | | trans | 52.6 | 126.7 | 164.7 | 34.5 | 0 | 0 | 0 | 0 | 118.9 | Y1465 | S1458-Y1465 VanDerWaalsContact CB-CE1 3.41Å; S1458-Y1465 VanDerWaalsContact N-CE1 3.28Å; S1458-Y1465 PolarHBondContact N-OH 3.36Å; S1458-Y1465 WeakPolarHBondContact OG-CD1 3.4Å; S1458-Y1465 WeakPolarHBondContact OG-CE1 3.11Å |
| 1459 | F | 27.6 | Very low | 26.5 | Very low | 148 Ų | 148 | 126.4 Ų | 126.4 | 65% | 0.649 | 68% | 0.675 | S | S | * | * | | | cis | -146.9 | 177.9 | -4.1 | -75.7 | -79 | 0 | 0 | 0 | 106.2 | Y1465 | F1459-Y1465 HydrophobicContact CD1-CD2 4.07Å; F1459-Y1465 HydrophobicContact CD1-CG 4.3Å; F1459-Y1465 AromaticContact CE1-CD2 3.65Å; F1459-Y1465 HydrophobicContact CE1-CD2 3.65Å; F1459-Y1465 AromaticContact CE1-CG 3.56Å; F1459-Y1465 HydrophobicContact CE1-CG 3.56Å; F1459-Y1465 HydrophobicContact CE2-CG 4.41Å; F1459-Y1465 HydrophobicContact CZ-CD1 4.28Å; F1459-Y1465 HydrophobicContact CZ-CD2 4.2Å; F1459-Y1465 AromaticContact CZ-CG 3.62Å; F1459-Y1465 HydrophobicContact CZ-CG 3.62Å |
| 1460 | S | 29.1 | Very low | 26.8 | Very low | 84 Ų | 84 | 127 Ų | 127 | 59% | 0.587 | 68% | 0.676 | S | S | * | * | S | Bend | cis | -149.6 | -176.6 | 3.5 | -146.7 | 0 | 0 | 0 | 0 | 106.4 | N1462 | S1460-N1462 PolarHBondContact OG-N 3.22Å; S1460-N1462 VanDerWaalsContact OG-N 3.13Å; S1460-N1462 PolarHBondContact OG-OD1 3.2Å |
| 1461 | P | 26.1 | Very low | 26.9 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -72.1 | 153.4 | 7 | 29.8 | -36.4 | 0 | 0 | 0 | 113.5 | N1463 | P1461-N1463 PolarHBondContact O-N 2.65Š|
| 1462 | N | 25.7 | Very low | 26.7 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | | | trans | -66.9 | 121.8 | -171.7 | -72.4 | -6.9 | 0 | 0 | 0 | 113.4 | S1460 | S1460-N1462 PolarHBondContact OG-N 3.22Å; S1460-N1462 VanDerWaalsContact OG-N 3.13Å; S1460-N1462 PolarHBondContact OG-OD1 3.2Å |
| 1463 | N | 26.4 | Very low | 26.9 | Very low | 137 Ų | 137 | 128 Ų | 128 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | | | | -178.7 | 102.3 | 100.7 | -89.8 | -29.9 | 0 | 0 | 0 | 113.1 | P1461 | P1461-N1463 PolarHBondContact O-N 2.65Š|
| 1464 | N | 36.5 | Very low | 26.9 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | | | | 174.5 | 107.5 | 104.4 | -91.3 | -20.8 | 0 | 0 | 0 | 110.1 | | |
| 1465 | Y | 21.8 | Very low | 26.9 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 32% | 0.322 | 69% | 0.692 | S | S | . | * | | | trans | -117.1 | 140.6 | 179.7 | -95.7 | -94.7 | 0 | 0 | 0 | 111.9 | S1456 Y1457 S1458 F1459 | S1456-Y1465 WeakPolarHBondContact CB-OH 3.3Å; Y1457-Y1465 VanDerWaalsContact CA-OH 3.22Å; Y1457-Y1465 WeakPolarHBondContact CA-OH 3.34Å; Y1457-Y1465 HydrophobicContact CD1-CD1 4.19Å; Y1457-Y1465 AromaticContact CD1-CE1 3.21Å; Y1457-Y1465 HydrophobicContact CD1-CE1 3.21Å; Y1457-Y1465 AromaticContact CD1-CZ 3.81Å; Y1457-Y1465 WeakPolarHBondContact CD2-OH 3.32Å; Y1457-Y1465 HydrophobicContact CE1-CD1 4.48Å; Y1457-Y1465 AromaticContact CE1-CE1 3.65Å; Y1457-Y1465 HydrophobicContact CE1-CE1 3.65Å; Y1457-Y1465 AromaticContact CG-CE1 3.61Å; Y1457-Y1465 HydrophobicContact CG-CE1 3.61Å; Y1457-Y1465 AromaticContact CG-CZ 3.86Å; S1458-Y1465 VanDerWaalsContact CB-CE1 3.41Å; S1458-Y1465 VanDerWaalsContact N-CE1 3.28Å; S1458-Y1465 PolarHBondContact N-OH 3.36Å; S1458-Y1465 WeakPolarHBondContact OG-CD1 3.4Å; S1458-Y1465 WeakPolarHBondContact OG-CE1 3.11Å; F1459-Y1465 HydrophobicContact CD1-CD2 4.07Å; F1459-Y1465 HydrophobicContact CD1-CG 4.3Å; F1459-Y1465 AromaticContact CE1-CD2 3.65Å; F1459-Y1465 HydrophobicContact CE1-CD2 3.65Å; F1459-Y1465 AromaticContact CE1-CG 3.56Å; F1459-Y1465 HydrophobicContact CE1-CG 3.56Å; F1459-Y1465 HydrophobicContact CE2-CG 4.41Å; F1459-Y1465 HydrophobicContact CZ-CD1 4.28Å; F1459-Y1465 HydrophobicContact CZ-CD2 4.2Å; F1459-Y1465 AromaticContact CZ-CG 3.62Å; F1459-Y1465 HydrophobicContact CZ-CG 3.62Å |
| 1466 | Y | 23.7 | Very low | 27.2 | Very low | 166 Ų | 166 | 131.3 Ų | 131.3 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | | | trans | -61.4 | 133 | -159.3 | -99.2 | -136.3 | 0 | 0 | 0 | 114.6 | Y1457 | Y1457-Y1466 HydrophobicContact CE1-CD2 4.37Å; Y1457-Y1466 WeakPolarHBondContact OH-CD2 3.44Å; Y1457-Y1466 WeakPolarHBondContact OH-CE2 3.15Å |
| 1467 | Y | 23.8 | Very low | 27.2 | Very low | 183 Ų | 183 | 132 Ų | 132 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 69.6 | 141.4 | 144.7 | -84.9 | -107.4 | 0 | 0 | 0 | 120.9 | | |
| 1468 | Y | 23.6 | Very low | 27.2 | Very low | 211 Ų | 211 | 133 Ų | 133 | 83% | 0.827 | 71% | 0.708 | S | S | * | * | | | trans | 62 | 94.6 | 166.3 | -77.6 | -72 | 0 | 0 | 0 | 119.6 | | |
| 1469 | A | 32.8 | Very low | 27.3 | Very low | 97 Ų | 97 | 136.7 Ų | 136.7 | 80% | 0.802 | 72% | 0.721 | S | S | * | * | | | trans | 70 | 166.4 | 159 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1470 | P | 30.8 | Very low | 27.3 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | | | cis | -125.4 | 165 | -1.4 | 37.5 | -21.1 | 0 | 0 | 0 | 115.9 | | |
| 1471 | I | 26.1 | Very low | 27.1 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | | | trans | 33 | 93.3 | 144.1 | -49 | 162.2 | 0 | 0 | 0 | 117.4 | | |
| 1472 | S | 26.7 | Very low | 27.3 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 71% | 0.714 | S | S | * | * | | | | 172.2 | 135.9 | 102.1 | -165.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1473 | N | 29.4 | Very low | 27.6 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | trans | 43.9 | 75.3 | 156.5 | -64 | -1.4 | 0 | 0 | 0 | 119.6 | | |
| 1474 | R | 28.9 | Very low | 27.9 | Very low | 239 Ų | 239 | 128.6 Ų | 128.6 | 90% | 0.902 | 69% | 0.686 | S | S | * | * | | | trans | -32.6 | 145.1 | 135 | -80.3 | -179.6 | 171.1 | 173.5 | -3.7 | 113.5 | | |
| 1475 | C | 24.6 | Very low | 27.5 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 85% | 0.845 | 67% | 0.674 | S | S | * | * | | | trans | -63.2 | 141.5 | 145.7 | -69.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 1476 | P | 30.3 | Very low | 27.9 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 69% | 0.688 | 70% | 0.695 | S | S | * | * | | | | -149.2 | 173.7 | 85.1 | 40.9 | -25 | 0 | 0 | 0 | 116.5 | | |
| 1477 | S | 25.1 | Very low | 28 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 70% | 0.697 | S | S | * | * | | | trans | 80.3 | 129 | 145.2 | 72.3 | 0 | 0 | 0 | 0 | 121 | | |
| 1478 | L | 25 | Very low | 28.3 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 81% | 0.806 | 70% | 0.703 | S | S | * | * | | | trans | 77.9 | 144.6 | 142.5 | -68.2 | 162.3 | 0 | 0 | 0 | 121 | | |
| 1479 | I | 29.5 | Very low | 28.6 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 75% | 0.754 | 70% | 0.701 | S | S | * | * | | | trans | 64.1 | 88.5 | 157.5 | -61.7 | 155 | 0 | 0 | 0 | 114.1 | | |
| 1480 | S | 27.1 | Very low | 28.3 | Very low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 70% | 0.704 | S | S | * | * | | | | 83.6 | 136.3 | 69.4 | 78.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 1481 | L | 24.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 124.2 Ų | 124.2 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | | | trans | 55.6 | 92.9 | 155.2 | -71.5 | 157.1 | 0 | 0 | 0 | 117.9 | M2146 | L1481-M2146 HydrophobicContact CD2-CE 4.14Å; L1481-M2146 HydrophobicContact CD2-SD 3.45Å; L1481-M2146 WeakPolarHBondContact CD2-SD 3.39Å; L1481-M2146 HydrophobicContact CG-SD 4.18Å |
| 1482 | N | 30.1 | Very low | 27.9 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 68% | 0.679 | 70% | 0.703 | S | S | * | * | | | | 175.3 | 73.1 | 120.9 | -96 | -59.3 | 0 | 0 | 0 | 115 | K2144 | N1482-K2144 PolarHBondContact O-NZ 3.04Š|
| 1483 | S | 33 | Very low | 27.8 | Very low | 43 Ų | 43 | 124.8 Ų | 124.8 | 30% | 0.301 | 71% | 0.71 | S | S | . | * | | | | 48.8 | 159.5 | 119.6 | 62.4 | 0 | 0 | 0 | 0 | 120.8 | K2144 I2145 | S1483-K2144 WeakPolarHBondContact O-CE 3.42Å; S1483-K2144 PolarHBondContact O-NZ 2.72Å; S1483-K2144 WeakPolarHBondContact OG-CB 3.42Å; S1483-K2144 WeakPolarHBondContact OG-CD 3.48Å; S1483-K2144 WeakPolarHBondContact OG-CG 3.25Å; S1483-K2144 PolarHBondContact OG-NZ 2.65Å; S1483-K2144 VanDerWaalsContact OG-NZ 3.13Å; S1483-I2145 VanDerWaalsContact CB-O 3.22Å; S1483-I2145 WeakPolarHBondContact CB-O 3.39Å |
| 1484 | S | 31.6 | Very low | 27.7 | Very low | 59 Ų | 59 | 124.5 Ų | 124.5 | 41% | 0.413 | 71% | 0.707 | S | S | . | * | | | cis | -165.7 | -161.4 | 12.6 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | K2144 | S1484-K2144 VanDerWaalsContact CB-CG 3.47Å; S1484-K2144 WeakPolarHBondContact OG-CG 3.21Å |
| 1485 | S | 30 | Very low | 27.5 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 49% | 0.49 | 70% | 0.7 | S | S | . | * | | | cis | -175.4 | 142.4 | -25.7 | 36.3 | 0 | 0 | 0 | 0 | 103.3 | | |
| 1486 | C | 28.2 | Very low | 27.7 | Very low | 112 Ų | 112 | 119.7 Ų | 119.7 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | | | cis | -159.3 | 175.5 | 7.1 | -102.8 | 0 | 0 | 0 | 0 | 105 | | |
| 1487 | S | 27.8 | Very low | 27.3 | Very low | 100 Ų | 100 | 121.7 Ų | 121.7 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | | | cis | -174.1 | 152.4 | -26.1 | 48.8 | 0 | 0 | 0 | 0 | 103 | | |
| 1488 | E | 28.6 | Very low | 27.3 | Very low | 178 Ų | 178 | 123.6 Ų | 123.6 | 83% | 0.832 | 69% | 0.692 | S | S | * | * | | | cis | -135.4 | 162.8 | 24.9 | -53.5 | 169.4 | 139 | 0 | 0 | 109.8 | | |
| 1489 | P | 29.5 | Very low | 27.3 | Very low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 69% | 0.693 | S | S | * | * | | | | -146.5 | 144.8 | 107.9 | 36.8 | -23.1 | 0 | 0 | 0 | 114.2 | | |
| 1490 | C | 26.6 | Very low | 27.1 | Very low | 126 Ų | 126 | 122 Ų | 122 | 85% | 0.851 | 69% | 0.694 | S | S | * | * | | | trans | -152.1 | 96.6 | 162.7 | -108.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1491 | L | 23.9 | Very low | 27 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 95% | 0.948 | 70% | 0.703 | S | S | * | * | | | trans | -79.1 | 109.7 | 149.9 | -105.2 | 170 | 0 | 0 | 0 | 108.3 | | |
| 1492 | S | 25.1 | Very low | 27 | Very low | 82 Ų | 82 | 123.3 Ų | 123.3 | 57% | 0.573 | 71% | 0.713 | S | S | * | * | | | trans | -160.4 | 112.4 | 148.2 | 80.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1493 | K | 25.8 | Very low | 26.8 | Very low | 191 Ų | 191 | 121.5 Ų | 121.5 | 83% | 0.83 | 71% | 0.71 | S | S | * | * | | | | 179.4 | 135.9 | 92.8 | -100.2 | 155.3 | -174.8 | 148.2 | 0 | 113 | | |
| 1494 | I | 25.7 | Very low | 26.5 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | | | trans | -84.4 | 130.3 | 157.6 | -73.8 | 168.8 | 0 | 0 | 0 | 106.9 | | |
| 1495 | N | 26 | Very low | 26.2 | Very low | 140 Ų | 140 | 128.8 Ų | 128.8 | 75% | 0.749 | 74% | 0.741 | S | S | * | * | | | trans | 44.7 | 150.5 | 152.3 | -58.5 | -8.2 | 0 | 0 | 0 | 120.6 | | |
| 1496 | L | 27.4 | Very low | 26.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | | | cis | -132.5 | 170.1 | 1.6 | -149.2 | 77.7 | 0 | 0 | 0 | 107.7 | | |
| 1497 | I | 23.7 | Very low | 26 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | | -161.4 | 146 | 84.5 | -89.3 | 169.8 | 0 | 0 | 0 | 108.9 | | |
| 1498 | H | 24.1 | Very low | 25.9 | Very low | 136 Ų | 136 | 136.5 Ų | 136.5 | 63% | 0.63 | 75% | 0.753 | S | S | * | * | | | trans | 6.6 | 139.4 | 154.3 | -60.7 | -104.4 | 0 | 0 | 0 | 118.7 | | |
| 1499 | S | 25.3 | Very low | 25.9 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 75% | 0.747 | S | S | * | * | | | cis | -142.9 | 154.4 | 48.8 | -71.9 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1500 | L | 25 | Very low | 25.8 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | | | trans | -76.3 | 158 | 168.8 | -65.8 | 156.7 | 0 | 0 | 0 | 110.8 | | |
| 1501 | S | 24.5 | Very low | 25.9 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | | | | -178.4 | 128 | 111.8 | -79.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 1502 | S | 26 | Very low | 26.2 | Very low | 114 Ų | 114 | 133.7 Ų | 133.7 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | | | trans | -106 | 122.6 | 155.8 | 54.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1503 | S | 25.1 | Very low | 26.4 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | | | trans | -61.4 | 146.4 | 158.3 | -40.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1504 | F | 25.9 | Very low | 26.7 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | | | cis | -138.1 | 169.9 | 12.1 | -74.8 | -98.6 | 0 | 0 | 0 | 108.8 | | |
| 1505 | S | 25.6 | Very low | 27 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | | | cis | 148.1 | 167 | -21.6 | -78.9 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1506 | V | 29.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 71% | 0.71 | S | S | * | * | | | trans | 79.4 | 126.3 | -177.3 | -167.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1507 | D | 25.3 | Very low | 27.4 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | | | cis | -166.7 | -163.2 | -41.2 | -86.5 | -19.5 | 0 | 0 | 0 | 105.1 | | |
| 1508 | Y | 25.2 | Very low | 27.4 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 73% | 0.725 | 72% | 0.721 | S | S | * | * | | | cis | -158.7 | 170.8 | 6.1 | -148.7 | -82.2 | 0 | 0 | 0 | 108.2 | | |
| 1509 | N | 28.5 | Very low | 27.5 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | | | trans | 75.7 | 123.8 | 176.1 | -59.1 | -42.3 | 0 | 0 | 0 | 115.3 | | |
| 1510 | H | 27.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 135.6 Ų | 135.6 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | | 66.6 | 127.1 | 67.5 | -79.2 | -107.1 | 0 | 0 | 0 | 112.9 | | |
| 1511 | E | 30 | Very low | 27.6 | Very low | 144 Ų | 144 | 135.4 Ų | 135.4 | 67% | 0.673 | 72% | 0.723 | S | S | * | * | | | cis | -163 | 164.5 | -1.5 | -137.8 | 175.4 | 154.5 | 0 | 0 | 113.6 | | |
| 1512 | L | 30.1 | Very low | 27.9 | Very low | 132 Ų | 132 | 136 Ų | 136 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | 26.4 | 122.1 | 151.2 | -78 | 167.4 | 0 | 0 | 0 | 123.1 | | |
| 1513 | L | 29.1 | Very low | 28 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | trans | 63.7 | 155.8 | 130.6 | -115.5 | 76.4 | 0 | 0 | 0 | 121.9 | | |
| 1514 | E | 31.3 | Very low | 28.1 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 46% | 0.463 | 71% | 0.707 | S | S | . | * | | | trans | -108.3 | 163.7 | -175.4 | -39.1 | 166.7 | 21.5 | 0 | 0 | 112.8 | S1992 Q1993 | E1514-S1992 WeakPolarHBondContact OE1-CA 3.48Å; E1514-S1992 WeakPolarHBondContact OE1-CB 3.13Å; E1514-S1992 PolarHBondContact OE1-OG 3.5Å; E1514-S1992 WeakPolarHBondContact OE2-CA 3.42Å; E1514-Q1993 VanDerWaalsContact OE1-CA 3.29Å; E1514-Q1993 WeakPolarHBondContact OE1-CA 3.17Å; E1514-Q1993 WeakPolarHBondContact OE1-CB 3.34Å; E1514-Q1993 WeakPolarHBondContact OE1-CG 3.39Å; E1514-Q1993 PolarHBondContact OE1-N 3.04Å; E1514-Q1993 PolarHBondContact OE1-NE2 2.8Å; E1514-Q1993 PolarHBondContact OE2-N 2.72Å |
| 1515 | G | 32.2 | Very low | 28.3 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | | | trans | 147.4 | 96.5 | 146.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 1516 | R | 29.6 | Very low | 28.4 | Very low | 200 Ų | 200 | 134.4 Ų | 134.4 | 76% | 0.755 | 69% | 0.693 | S | S | * | * | | | trans | 38.2 | 109.1 | 146.6 | -58.7 | -179.8 | 178 | -158.8 | -3.8 | 120.6 | | |
| 1517 | K | 31.7 | Very low | 28.4 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 84% | 0.835 | 67% | 0.667 | S | S | * | * | | | | 178.3 | 131.3 | 119.1 | -95.4 | 160.8 | -179.9 | 179 | 0 | 108.5 | | |
| 1518 | L | 24.5 | Very low | 28.5 | Very low | 155 Ų | 155 | 125.6 Ų | 125.6 | 81% | 0.812 | 64% | 0.641 | S | S | * | * | | | | 62.7 | 130.2 | 73 | -88.6 | 171.6 | 0 | 0 | 0 | 115.2 | | |
| 1519 | L | 26.1 | Very low | 28.6 | Very low | 154 Ų | 154 | 121 Ų | 121 | 81% | 0.806 | 64% | 0.636 | S | S | * | * | | | trans | 71.4 | 89.6 | 164.8 | -68.2 | 158.3 | 0 | 0 | 0 | 118.5 | | |
| 1520 | S | 24.7 | Very low | 28.5 | Very low | 101 Ų | 101 | 122.3 Ų | 122.3 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | | | | 135.5 | 156.4 | 95 | 68.8 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1521 | L | 27.1 | Very low | 28.5 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 75% | 0.754 | 65% | 0.65 | S | S | * | * | | | trans | 74.3 | 103.6 | 164.2 | -71.1 | 159 | 0 | 0 | 0 | 119.7 | | |
| 1522 | N | 30.8 | Very low | 28.5 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 71% | 0.711 | 63% | 0.629 | S | S | * | * | | | trans | 82.7 | 128.3 | 148.9 | -57.1 | -26.9 | 0 | 0 | 0 | 119.6 | | |
| 1523 | K | 29 | Very low | 28.4 | Very low | 152 Ų | 152 | 117.8 Ų | 117.8 | 66% | 0.661 | 63% | 0.627 | S | S | * | * | | | cis | -165.5 | 153.2 | -21.1 | -130.8 | -177.6 | 162.5 | -72.6 | 0 | 110.7 | | |
| 1524 | D | 26.5 | Very low | 28.1 | Very low | 108 Ų | 108 | 115.4 Ų | 115.4 | 58% | 0.578 | 61% | 0.612 | S | S | * | * | | | trans | 54.9 | 138.5 | 152.8 | -51.9 | -26.6 | 0 | 0 | 0 | 122.8 | | |
| 1525 | T | 29.4 | Very low | 27.9 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 76% | 0.755 | 62% | 0.618 | S | S | * | * | | | trans | 64.7 | 105.3 | 142 | 48.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1526 | S | 29.4 | Very low | 27.6 | Very low | 42 Ų | 42 | 122.2 Ų | 122.2 | 29% | 0.294 | 62% | 0.622 | S | S | . | * | | | | 96.4 | 114 | 105.1 | 78.4 | 0 | 0 | 0 | 0 | 122.2 | N1553 N1554 | S1526-N1553 PolarHBondContact O-ND2 3.2Å; S1526-N1554 PolarHBondContact O-ND2 3.3Å; S1526-N1554 PolarHBondContact O-OD1 3.25Å; S1526-N1554 PolarHBondContact OG-ND2 2.83Å |
| 1527 | E | 27.7 | Very low | 27.3 | Very low | 52 Ų | 52 | 116.6 Ų | 116.6 | 24% | 0.243 | 61% | 0.613 | C | S | . | * | | | | 82.9 | 125 | 112.8 | -61.1 | 179.2 | 130 | 0 | 0 | 124.7 | N1553 N1554 N1555 D1557 S1558 | E1527-N1553 PolarHBondContact O-ND2 3.45Å; E1527-N1554 PolarHBondContact O-OD1 3.23Å; E1527-N1555 WeakPolarHBondContact CB-OD1 3.47Å; E1527-N1555 PolarHBondContact O-OD1 3.42Å; E1527-N1555 PolarHBondContact OE2-ND2 3.32Å; E1527-D1557 WeakPolarHBondContact OE1-CA 3.14Å; E1527-S1558 WeakPolarHBondContact OE1-CA 3.42Å; E1527-S1558 PolarHBondContact OE1-N 2.72Å; E1527-S1558 PolarHBondContact OE1-OG 3.49Å |
| 1528 | S | 27.2 | Very low | 26.9 | Very low | 22 Ų | 22 | 114.1 Ų | 114.1 | 15% | 0.154 | 61% | 0.608 | C | S | . | * | | | trans | 59.4 | 124.7 | 131.6 | 70.6 | 0 | 0 | 0 | 0 | 125.4 | N1556 D1557 S1558 | S1528-N1556 VanDerWaalsContact CB-O 3.31Å; S1528-N1556 WeakPolarHBondContact CB-O 3.26Å; S1528-N1556 PolarHBondContact OG-N 2.64Å; S1528-N1556 PolarHBondContact OG-O 2.8Å; S1528-N1556 VanDerWaalsContact OG-O 3.13Å; S1528-D1557 WeakPolarHBondContact OG-CA 3.45Å; S1528-D1557 PolarHBondContact OG-N 3.28Å; S1528-S1558 WeakPolarHBondContact CB-O 3.21Å |
| 1529 | S | 28.1 | Very low | 27 | Very low | 88 Ų | 88 | 113.6 Ų | 113.6 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | | | trans | 87.8 | 161.6 | 131 | 81.7 | 0 | 0 | 0 | 0 | 120.6 | N1556 | S1529-N1556 PolarHBondContact OG-N 3.45Š|
| 1530 | N | 27.5 | Very low | 27 | Very low | 158 Ų | 158 | 110 Ų | 110 | 85% | 0.845 | 59% | 0.592 | S | S | * | * | | | trans | -64.4 | 134.5 | -169.2 | -58.4 | -36.7 | 0 | 0 | 0 | 112.9 | | |
| 1531 | N | 26.5 | Very low | 27.1 | Very low | 155 Ų | 155 | 107.5 Ų | 107.5 | 83% | 0.829 | 58% | 0.575 | S | S | * | * | | | | -151.8 | 171.4 | 125.3 | -135.3 | -43.7 | 0 | 0 | 0 | 113.9 | | |
| 1532 | S | 29.6 | Very low | 27.3 | Very low | 31 Ų | 31 | 105.9 Ų | 105.9 | 22% | 0.217 | 58% | 0.576 | C | S | . | * | | | trans | -80.3 | 137.4 | -177.3 | 60.4 | 0 | 0 | 0 | 0 | 113.6 | R1951 | S1532-R1951 WeakPolarHBondContact CB-O 3.48Š|
| 1533 | Q | 29.1 | Very low | 27.2 | Very low | 140 Ų | 140 | 102.7 Ų | 102.7 | 65% | 0.654 | 56% | 0.564 | S | S | * | * | | | trans | -149.8 | 135.4 | 137.4 | -103.5 | 149.2 | 52.5 | 0 | 0 | 106.7 | Y1535 P1952 | Q1533-Y1535 HydrophobicContact CG-CD2 4.36Å; Q1533-P1952 WeakPolarHBondContact O-CG 3.46Å |
| 1534 | Q | 21.3 | Very low | 27.4 | Very low | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 56% | 0.558 | S | S | . | * | | | cis | 68.9 | 154.9 | 39 | -161.1 | -169.4 | 4.3 | 0 | 0 | 111.2 | | |
| 1535 | Y | 27.3 | Very low | 27.7 | Very low | 149 Ų | 149 | 97 Ų | 97 | 58% | 0.584 | 54% | 0.543 | S | S | * | . | | | trans | 68.6 | 114.2 | -170.6 | -62.7 | -80 | 0 | 0 | 0 | 111.7 | Q1533 | Q1533-Y1535 HydrophobicContact CG-CD2 4.36Š|
| 1536 | E | 26.1 | Very low | 27.9 | Very low | 153 Ų | 153 | 100.8 Ų | 100.8 | 72% | 0.715 | 54% | 0.544 | S | S | * | . | | | | 64.4 | 111 | 73.2 | -67.9 | 177.3 | -159.1 | 0 | 0 | 109.3 | | |
| 1537 | S | 23.3 | Very low | 27.9 | Very low | 83 Ų | 83 | 105.6 Ų | 105.6 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | | | | 68.2 | 140.3 | 73.6 | 97.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1538 | L | 24.4 | Very low | 28.4 | Very low | 140 Ų | 140 | 109.8 Ų | 109.8 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | | | trans | 69.2 | 109.2 | 164 | -55.8 | 173.6 | 0 | 0 | 0 | 112.5 | | |
| 1539 | I | 26.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 74% | 0.738 | 61% | 0.609 | S | S | * | * | | | | 64 | 108.1 | 96.9 | -72.9 | 177.2 | 0 | 0 | 0 | 109 | | |
| 1540 | S | 26.3 | Very low | 28.8 | Very low | 77 Ų | 77 | 116 Ų | 116 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | | | cis | 166.8 | -152.6 | 29.8 | 47.7 | 0 | 0 | 0 | 0 | 107 | | |
| 1541 | S | 26.4 | Very low | 28.7 | Very low | 49 Ų | 49 | 114.2 Ų | 114.2 | 34% | 0.343 | 58% | 0.584 | S | S | . | * | | | cis | -167.4 | -167.2 | 10.2 | 8.6 | 0 | 0 | 0 | 0 | 112.3 | S1543 L1544 S1545 | S1541-S1543 VanDerWaalsContact CB-O 3.3Å; S1541-S1543 WeakPolarHBondContact CB-O 3.38Å; S1541-S1543 VanDerWaalsContact OG-C 3.24Å; S1541-S1543 PolarHBondContact OG-O 2.63Å; S1541-S1543 VanDerWaalsContact OG-O 3.11Å; S1541-L1544 PolarHBondContact N-O 3.4Å; S1541-L1544 VanDerWaalsContact N-O 3.11Å; S1541-L1544 CarbonylContact O-C 3.1Å; S1541-L1544 VanDerWaalsContact O-C 3.27Å; S1541-L1544 PolarHBondContact OG-N 2.78Å; S1541-L1544 PolarHBondContact OG-O 2.81Å; S1541-L1544 VanDerWaalsContact OG-O 3.12Å; S1541-S1545 CarbonylContact O-C 3.26Å; S1541-S1545 WeakPolarHBondContact O-CA 3.37Å; S1541-S1545 PolarHBondContact O-N 3.35Å |
| 1542 | S | 30.1 | Very low | 28.8 | Very low | 111 Ų | 111 | 113.5 Ų | 113.5 | 78% | 0.776 | 58% | 0.58 | S | S | * | * | S | Bend | | -146.2 | 128.9 | 115.4 | -157.9 | 0 | 0 | 0 | 0 | 110.5 | S1545 | S1542-S1545 PolarHBondContact OG-N 3.29Š|
| 1543 | S | 29.6 | Very low | 28.7 | Very low | 66 Ų | 66 | 116.3 Ų | 116.3 | 46% | 0.462 | 59% | 0.592 | S | S | . | * | S | Bend | cis | -71.2 | 117.5 | -0.1 | 57.1 | 0 | 0 | 0 | 0 | 112.5 | S1541 | S1541-S1543 VanDerWaalsContact CB-O 3.3Å; S1541-S1543 WeakPolarHBondContact CB-O 3.38Å; S1541-S1543 VanDerWaalsContact OG-C 3.24Å; S1541-S1543 PolarHBondContact OG-O 2.63Å; S1541-S1543 VanDerWaalsContact OG-O 3.11Å |
| 1544 | L | 32.3 | Very low | 28.7 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | S | Bend | cis | -129.1 | 131.3 | 4.9 | -153.8 | 81.5 | 0 | 0 | 0 | 112.5 | T314 S1541 | T314-L1544 HydrophobicContact CG2-CB 4.44Å; S1541-L1544 PolarHBondContact N-O 3.4Å; S1541-L1544 VanDerWaalsContact N-O 3.11Å; S1541-L1544 CarbonylContact O-C 3.1Å; S1541-L1544 VanDerWaalsContact O-C 3.27Å; S1541-L1544 PolarHBondContact OG-N 2.78Å; S1541-L1544 PolarHBondContact OG-O 2.81Å; S1541-L1544 VanDerWaalsContact OG-O 3.12Å |
| 1545 | S | 33.6 | Very low | 29.2 | Very low | 40 Ų | 40 | 111.3 Ų | 111.3 | 28% | 0.28 | 57% | 0.574 | S | S | . | * | | | trans | 30.6 | 160.1 | 150.5 | 74.1 | 0 | 0 | 0 | 0 | 124.2 | S1541 S1542 | S1541-S1545 CarbonylContact O-C 3.26Å; S1541-S1545 WeakPolarHBondContact O-CA 3.37Å; S1541-S1545 PolarHBondContact O-N 3.35Å; S1542-S1545 PolarHBondContact OG-N 3.29Å |
| 1546 | R | 33.4 | Very low | 29.8 | Very low | 203 Ų | 203 | 110.7 Ų | 110.7 | 77% | 0.766 | 58% | 0.581 | S | S | * | * | | | trans | 81.1 | 140.2 | 146.5 | -77 | 160.1 | -175.4 | 177.5 | -0.3 | 115.6 | | |
| 1547 | N | 30.6 | Very low | 30.4 | Very low | 142 Ų | 142 | 108.5 Ų | 108.5 | 76% | 0.759 | 57% | 0.574 | S | S | * | * | | | | 65.5 | 127.1 | 59.1 | -53.9 | 10.3 | 0 | 0 | 0 | 110.1 | | |
| 1548 | M | 36.3 | Very low | 31 | Very low | 141 Ų | 141 | 107.8 Ų | 107.8 | 70% | 0.695 | 57% | 0.569 | S | S | * | * | | | cis | -131.9 | 173.8 | 8.3 | -70.6 | -155.6 | -63 | 0 | 0 | 109.1 | | |
| 1549 | K | 30.2 | Very low | 31.3 | Very low | 140 Ų | 140 | 108.2 Ų | 108.2 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | | | cis | 53.2 | 155 | 45.3 | -171.7 | -178.1 | -172.2 | -111.6 | 0 | 111.6 | | |
| 1550 | E | 33.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | | | trans | 67.5 | 119.5 | 170.2 | -106.2 | 116.3 | -107.2 | 0 | 0 | 114 | | |
| 1551 | R | 25.8 | Very low | 31.9 | Very low | 120 Ų | 120 | 109.3 Ų | 109.3 | 45% | 0.453 | 58% | 0.578 | S | S | . | * | | | | 32 | 114 | 75.7 | -76.2 | -171.7 | 179.1 | 156.9 | 0.8 | 111.9 | S1983 L1984 | R1551-S1983 VanDerWaalsContact NH2-C 3.31Å; R1551-S1983 PolarHBondContact NH2-O 2.84Å; R1551-S1983 PolarHBondContact NH2-OG 3.08Å; R1551-L1984 PolarHBondContact NH1-O 3.45Å; R1551-L1984 PolarHBondContact NH2-O 3.44Å |
| 1552 | N | 28.8 | Very low | 32 | Very low | 139 Ų | 139 | 115 Ų | 115 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | | | | -152.6 | 123.6 | 99.8 | -90.1 | -21.9 | 0 | 0 | 0 | 108.4 | | |
| 1553 | N | 27 | Very low | 31.8 | Very low | 90 Ų | 90 | 113.8 Ų | 113.8 | 48% | 0.481 | 60% | 0.601 | S | S | . | * | | | | 81.4 | 139.7 | 68.8 | -111.1 | 65.9 | 0 | 0 | 0 | 111.4 | S1526 E1527 | S1526-N1553 PolarHBondContact O-ND2 3.2Å; E1527-N1553 PolarHBondContact O-ND2 3.45Å |
| 1554 | N | 30.6 | Very low | 31.5 | Very low | 89 Ų | 89 | 118 Ų | 118 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | | | trans | 79.1 | 125.8 | 163.9 | -52.5 | 22.3 | 0 | 0 | 0 | 116.6 | S1526 E1527 | S1526-N1554 PolarHBondContact O-ND2 3.3Å; S1526-N1554 PolarHBondContact O-OD1 3.25Å; S1526-N1554 PolarHBondContact OG-ND2 2.83Å; E1527-N1554 PolarHBondContact O-OD1 3.23Å |
| 1555 | N | 31.1 | Very low | 31.2 | Very low | 61 Ų | 61 | 121.1 Ų | 121.1 | 33% | 0.326 | 62% | 0.623 | S | S | . | * | | | cis | -150.9 | 155.6 | -6.1 | -113.4 | 23.2 | 0 | 0 | 0 | 109.7 | E1527 D1557 | E1527-N1555 WeakPolarHBondContact CB-OD1 3.47Å; E1527-N1555 PolarHBondContact O-OD1 3.42Å; E1527-N1555 PolarHBondContact OE2-ND2 3.32Å; N1555-D1557 PolarHBondContact ND2-OD1 3.17Å |
| 1556 | N | 40.7 | Very low | 30.7 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -146.4 | 73.1 | 131.7 | -107.4 | -3.6 | 0 | 0 | 0 | 106.8 | S1528 S1529 | S1528-N1556 VanDerWaalsContact CB-O 3.31Å; S1528-N1556 WeakPolarHBondContact CB-O 3.26Å; S1528-N1556 PolarHBondContact OG-N 2.64Å; S1528-N1556 PolarHBondContact OG-O 2.8Å; S1528-N1556 VanDerWaalsContact OG-O 3.13Å; S1529-N1556 PolarHBondContact OG-N 3.45Å |
| 1557 | D | 37.1 | Very low | 30.1 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | | | trans | 21.6 | 118.4 | 172.7 | -49.3 | 1.3 | 0 | 0 | 0 | 118.3 | E1527 S1528 N1555 | E1527-D1557 WeakPolarHBondContact OE1-CA 3.14Å; S1528-D1557 WeakPolarHBondContact OG-CA 3.45Å; S1528-D1557 PolarHBondContact OG-N 3.28Å; N1555-D1557 PolarHBondContact ND2-OD1 3.17Å |
| 1558 | S | 36.9 | Very low | 29.8 | Very low | 68 Ų | 68 | 123.4 Ų | 123.4 | 48% | 0.476 | 65% | 0.647 | S | S | . | * | | | trans | 69.5 | 137.2 | 175.5 | -70 | 0 | 0 | 0 | 0 | 117.4 | E1527 S1528 | E1527-S1558 WeakPolarHBondContact OE1-CA 3.42Å; E1527-S1558 PolarHBondContact OE1-N 2.72Å; E1527-S1558 PolarHBondContact OE1-OG 3.49Å; S1528-S1558 WeakPolarHBondContact CB-O 3.21Å |
| 1559 | M | 30.4 | Very low | 29.3 | Very low | 149 Ų | 149 | 121.4 Ų | 121.4 | 73% | 0.734 | 65% | 0.647 | S | S | * | * | | | | 57.7 | 133.1 | 57.1 | -78.2 | -162 | 154.9 | 0 | 0 | 112.8 | | |
| 1560 | L | 30.6 | Very low | 29.2 | Very low | 137 Ų | 137 | 122.6 Ų | 122.6 | 72% | 0.717 | 65% | 0.654 | S | S | * | * | | | cis | -158.9 | 160 | -0.3 | -165.3 | 86.4 | 0 | 0 | 0 | 108.1 | | |
| 1561 | S | 34 | Very low | 28.7 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | | 152.6 | 151.6 | 125.2 | -66.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1562 | D | 29.8 | Very low | 28.7 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 90% | 0.898 | 68% | 0.683 | S | S | * | * | | | trans | -92.7 | 171.1 | -177.3 | -77.8 | -71 | 0 | 0 | 0 | 115.4 | | |
| 1563 | A | 25.6 | Very low | 28.9 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 71% | 0.711 | 68% | 0.684 | S | S | * | * | | | trans | -63.4 | 157.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1564 | Q | 23 | Very low | 29.1 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | | | trans | -166.5 | 154.8 | 131.7 | -112.9 | 172 | 97.2 | 0 | 0 | 115.7 | | |
| 1565 | K | 25 | Very low | 28.9 | Very low | 164 Ų | 164 | 126.7 Ų | 126.7 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | | | trans | 29.9 | 125.4 | 142.9 | -71.5 | 169.9 | -168.8 | 154.8 | 0 | 121.4 | | |
| 1566 | L | 23.3 | Very low | 28.7 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 83% | 0.832 | 72% | 0.721 | S | S | * | * | | | | 47.6 | 144.8 | 108.2 | -97.9 | 164.5 | 0 | 0 | 0 | 121.3 | | |
| 1567 | C | 22.6 | Very low | 28.3 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 64% | 0.635 | 72% | 0.721 | S | S | * | * | | | trans | 82.1 | 114.8 | 162 | -67.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1568 | H | 22.9 | Very low | 27.8 | Very low | 181 Ų | 181 | 124.2 Ų | 124.2 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | trans | 54.5 | 145 | 148.9 | -57.4 | -72.3 | 0 | 0 | 0 | 119.5 | | |
| 1569 | S | 25.4 | Very low | 27.7 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | | | cis | -146.3 | 174.8 | 18.8 | -154.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1570 | E | 28.4 | Very low | 27.5 | Very low | 164 Ų | 164 | 122.1 Ų | 122.1 | 77% | 0.766 | 69% | 0.694 | S | S | * | * | | | trans | 65.3 | 117 | 168.5 | -64 | 177.3 | 169 | 0 | 0 | 115.5 | | |
| 1571 | M | 24.1 | Very low | 27.6 | Very low | 153 Ų | 153 | 120.4 Ų | 120.4 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | | | | 81.1 | 132.3 | 57.2 | -80 | 179.1 | 44 | 0 | 0 | 114.3 | | |
| 1572 | M | 25.7 | Very low | 27.3 | Very low | 158 Ų | 158 | 117.2 Ų | 117.2 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | | | trans | 74.1 | 154.3 | 158.3 | -62.9 | -76.3 | -173.6 | 0 | 0 | 118.7 | | |
| 1573 | T | 32.3 | Very low | 27.5 | Very low | 125 Ų | 125 | 113 Ų | 113 | 77% | 0.767 | 65% | 0.654 | S | S | * | * | | | trans | 67.8 | 107.2 | 156.6 | 22 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1574 | V | 32 | Very low | 27.8 | Very low | 132 Ų | 132 | 110.3 Ų | 110.3 | 80% | 0.8 | 63% | 0.629 | S | S | * | * | | | | 50 | 114.7 | 114.1 | 176.8 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1575 | G | 27.1 | Very low | 28.2 | Very low | 57 Ų | 57 | 104 Ų | 104 | 59% | 0.588 | 60% | 0.603 | S | S | * | * | | | cis | 90.3 | 135.3 | 35.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1576 | S | 26.5 | Very low | 28.3 | Very low | 96 Ų | 96 | 97.1 Ų | 97.1 | 67% | 0.671 | 58% | 0.575 | S | S | * | * | | | trans | 63.4 | 132.5 | -164.1 | -48.4 | 0 | 0 | 0 | 0 | 111.8 | | |
| 1577 | S | 31.4 | Very low | 28.8 | Very low | 104 Ų | 104 | 93.7 Ų | 93.7 | 73% | 0.727 | 56% | 0.562 | S | S | * | * | | | cis | -156.1 | 141.4 | 48.6 | -83.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1578 | V | 27.9 | Very low | 29.3 | Very low | 51 Ų | 51 | 92 Ų | 92 | 31% | 0.309 | 55% | 0.551 | S | S | . | * | | | | 86.7 | 125.6 | 55.6 | 157.4 | 0 | 0 | 0 | 0 | 112.2 | I1423 D1424 | I1423-V1578 HydrophobicContact CG1-CG2 4.1Å; I1423-V1578 HydrophobicContact CG2-CB 4.38Å; I1423-V1578 HydrophobicContact CG2-CG1 3.93Å; I1423-V1578 HydrophobicContact CG2-CG2 4.35Å; D1424-V1578 WeakPolarHBondContact OD1-CG1 3.36Å; D1424-V1578 WeakPolarHBondContact OD1-CG2 3.45Å; D1424-V1578 VanDerWaalsContact OD2-CG1 3.23Å; D1424-V1578 WeakPolarHBondContact OD2-CG1 3.31Å |
| 1579 | L | 33.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 86.8 Ų | 86.8 | 57% | 0.571 | 53% | 0.528 | S | S | * | . | | | trans | 82.3 | 79.1 | 170.5 | -62.9 | 164.3 | 0 | 0 | 0 | 121.8 | I1423 | I1423-L1579 HydrophobicContact CG2-CD2 3.7Å; I1423-L1579 HydrophobicContact CG2-CG 3.91Å |
| 1580 | L | 27.3 | Very low | 30.1 | Very low | 64 Ų | 64 | 85.6 Ų | 85.6 | 34% | 0.335 | 52% | 0.518 | S | S | . | . | | | | 59.7 | 154.7 | 107.9 | -90.8 | 94 | 0 | 0 | 0 | 124.2 | S1421 I1422 I1423 | S1421-L1580 WeakPolarHBondContact OG-CD2 3.14Å; S1421-L1580 VanDerWaalsContact OG-CG 3.32Å; S1421-L1580 WeakPolarHBondContact OG-CG 2.95Å; I1422-L1580 HydrophobicContact CB-CD1 4.42Å; I1422-L1580 HydrophobicContact CB-CD2 4.31Å; I1422-L1580 HydrophobicContact CD1-CD2 4.09Å; I1422-L1580 HydrophobicContact CG1-CD1 3.92Å; I1422-L1580 HydrophobicContact CG1-CD2 3.2Å; I1422-L1580 HydrophobicContact CG1-CG 4.09Å; I1423-L1580 HydrophobicContact CB-CD1 3.86Å; I1423-L1580 HydrophobicContact CD1-CD1 3.81Å; I1423-L1580 HydrophobicContact CG1-CD1 4.46Å; I1423-L1580 HydrophobicContact CG2-CD1 3.8Å |
| 1581 | S | 32.9 | Very low | 30.1 | Very low | 101 Ų | 101 | 82.1 Ų | 82.1 | 71% | 0.706 | 51% | 0.511 | S | S | * | . | | | cis | -143.1 | 164.9 | 25.4 | -51.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1582 | S | 27.5 | Very low | 30.2 | Very low | 41 Ų | 41 | 82.7 Ų | 82.7 | 29% | 0.287 | 52% | 0.516 | S | S | . | . | | | trans | -27.1 | 157.1 | 147 | -63.1 | 0 | 0 | 0 | 0 | 118 | T1419 S1420 S1421 | T1419-S1582 WeakPolarHBondContact OG1-CB 3.43Å; T1419-S1582 PolarHBondContact OG1-OG 3.04Å; S1420-S1582 WeakPolarHBondContact CB-OG 3.42Å; S1420-S1582 PolarHBondContact O-OG 2.86Å; S1420-S1582 PolarHBondContact OG-OG 2.92Å; S1421-S1582 PolarHBondContact OG-OG 2.86Å |
| 1583 | P | 33.4 | Very low | 30.4 | Very low | 80 Ų | 80 | 81.5 Ų | 81.5 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | | | cis | -150.1 | 158.9 | 12.5 | 45 | -26 | 0 | 0 | 0 | 122.7 | I1418 T1419 | I1418-P1583 HydrophobicContact CB-CB 4.43Å; I1418-P1583 HydrophobicContact CG1-CB 3.86Å; I1418-P1583 HydrophobicContact CG1-CG 4.18Å; I1418-P1583 HydrophobicContact CG2-CB 4.26Å; T1419-P1583 HydrophobicContact CG2-CB 3.77Å; T1419-P1583 WeakPolarHBondContact OG1-CB 3.07Å |
| 1584 | S | 32.6 | Very low | 30.2 | Very low | 29 Ų | 29 | 81.4 Ų | 81.4 | 20% | 0.203 | 51% | 0.507 | C | S | . | . | | | trans | 57.2 | 136 | 132.6 | 70.4 | 0 | 0 | 0 | 0 | 128.1 | I1418 I1944 E1945 | I1418-S1584 WeakPolarHBondContact CG1-OG 3.4Å; S1584-I1944 CarbonylContact C-O 3.16Å; S1584-I1944 VanDerWaalsContact C-O 3.26Å; S1584-I1944 VanDerWaalsContact CA-O 3.22Å; S1584-I1944 WeakPolarHBondContact CA-O 3.5Å; S1584-E1945 WeakPolarHBondContact O-CG 3.1Å |
| 1585 | S | 30.9 | Very low | 30 | Very low | 23 Ų | 23 | 83.3 Ų | 83.3 | 16% | 0.161 | 50% | 0.504 | C | S | . | . | | | trans | 118.2 | 16.1 | 141.5 | 143 | 0 | 0 | 0 | 0 | 126.5 | N1416 L1943 I1944 E1945 | N1416-S1585 WeakPolarHBondContact CB-OG 3.36Å; N1416-S1585 PolarHBondContact ND2-OG 3.13Å; N1416-S1585 VanDerWaalsContact ND2-OG 3.15Å; N1416-S1585 PolarHBondContact OD1-OG 3.36Å; S1585-L1943 WeakPolarHBondContact CB-O 3.49Å; S1585-L1943 PolarHBondContact N-O 3.38Å; S1585-I1944 PolarHBondContact N-O 2.75Å; S1585-E1945 VanDerWaalsContact C-CG 3.44Å; S1585-E1945 VanDerWaalsContact N-CG 3.28Å |
| 1586 | S | 27 | Very low | 30 | Very low | 20 Ų | 20 | 91.7 Ų | 91.7 | 14% | 0.14 | 52% | 0.52 | C | S | . | . | | | trans | -52.3 | 176.5 | -169.8 | -118.3 | 0 | 0 | 0 | 0 | 121.1 | E1945 R1947 | S1586-E1945 VanDerWaalsContact CA-OE1 3.25Å; S1586-E1945 WeakPolarHBondContact CA-OE1 3.02Å; S1586-E1945 WeakPolarHBondContact CB-O 3.39Å; S1586-E1945 VanDerWaalsContact N-CG 3.3Å; S1586-E1945 PolarHBondContact N-OE1 2.75Å; S1586-E1945 VanDerWaalsContact N-OE1 3.09Å; S1586-E1945 WeakPolarHBondContact OG-CB 3.49Å; S1586-E1945 PolarHBondContact OG-O 3.31Å; S1586-R1947 WeakPolarHBondContact OG-CG 3.4Å; S1586-R1947 PolarHBondContact OG-N 2.86Å |
| 1587 | P | 34.1 | Very low | 30.1 | Very low | 86 Ų | 86 | 95 Ų | 95 | 56% | 0.558 | 53% | 0.525 | S | S | * | . | | | cis | -131.6 | -173.7 | -2.9 | 23 | 2.6 | 0 | 0 | 0 | 116.5 | R1947 | P1587-R1947 VanDerWaalsContact C-CZ 3.46Å; P1587-R1947 PolarHBondContact O-NH1 3.33Å |
| 1588 | P | 33.6 | Very low | 30 | Very low | 60 Ų | 60 | 94.7 Ų | 94.7 | 39% | 0.39 | 52% | 0.52 | S | S | . | . | | | | -89.9 | -177.3 | -53.3 | -6.8 | 27.8 | 0 | 0 | 0 | 117 | R1947 N1949 | P1588-R1947 VanDerWaalsContact C-CD 3.45Å; P1588-R1947 WeakPolarHBondContact O-CD 3.42Å; P1588-R1947 PolarHBondContact O-NH1 3.34Å; P1588-N1949 HydrophobicContact CB-CB 4.12Å |
| 1589 | I | 31.3 | Very low | 30 | Very low | 71 Ų | 71 | 98.2 Ų | 98.2 | 36% | 0.364 | 54% | 0.536 | S | S | . | . | | | trans | -100.9 | -167 | 167.6 | -6.6 | 172.7 | 0 | 0 | 0 | 109.8 | L1946 R1947 E1948 N1949 | I1589-L1946 HydrophobicContact CD1-CD2 3.98Å; I1589-L1946 HydrophobicContact CG1-CD2 4.42Å; I1589-R1947 HydrophobicContact CD1-CB 4.11Å; I1589-R1947 HydrophobicContact CG1-CB 3.33Å; I1589-R1947 HydrophobicContact CG1-CG 4.16Å; I1589-R1947 VanDerWaalsContact CG1-O 3.3Å; I1589-R1947 WeakPolarHBondContact CG1-O 3.41Å; I1589-E1948 HydrophobicContact CB-CG 4.19Å; I1589-E1948 HydrophobicContact CD1-CG 4.34Å; I1589-E1948 WeakPolarHBondContact CD1-OE1 3.35Å; I1589-E1948 HydrophobicContact CG1-CG 4.02Å; I1589-N1949 PolarHBondContact O-ND2 3.09Å; I1589-N1949 VanDerWaalsContact O-ND2 3.13Å |
| 1590 | P | 33 | Very low | 29.8 | Very low | 73 Ų | 73 | 100.5 Ų | 100.5 | 47% | 0.474 | 54% | 0.542 | S | S | . | . | | | cis | -122.1 | 170.6 | 16.4 | 14.9 | 12.2 | 0 | 0 | 0 | 118.1 | E1948 | P1590-E1948 WeakPolarHBondContact CB-OE1 3.42Å; P1590-E1948 HydrophobicContact CG-CG 4.49Å |
| 1591 | S | 29.1 | Very low | 29.8 | Very low | 91 Ų | 91 | 105.5 Ų | 105.5 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | | | trans | 47.4 | 101.9 | 158.1 | 54.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 1592 | I | 25.8 | Very low | 29.5 | Very low | 165 Ų | 165 | 104.1 Ų | 104.1 | 85% | 0.846 | 55% | 0.546 | S | S | * | . | | | | 64.3 | 111.3 | 86.5 | -61.1 | 158.8 | 0 | 0 | 0 | 110.4 | | |
| 1593 | D | 30.3 | Very low | 29.6 | Very low | 134 Ų | 134 | 106.7 Ų | 106.7 | 72% | 0.717 | 56% | 0.556 | S | S | * | * | | | cis | -140 | 157 | 33.1 | -161.6 | 17.9 | 0 | 0 | 0 | 115.8 | | |
| 1594 | L | 27.9 | Very low | 29.4 | Very low | 123 Ų | 123 | 107 Ų | 107 | 64% | 0.644 | 55% | 0.554 | S | S | * | * | S | Bend | trans | 44.9 | 91.2 | 162.6 | -76.5 | 163.1 | 0 | 0 | 0 | 120.9 | | |
| 1595 | K | 26.7 | Very low | 29.3 | Very low | 172 Ų | 172 | 110.3 Ų | 110.3 | 75% | 0.748 | 57% | 0.573 | S | S | * | * | S | Bend | trans | 102.5 | 119.3 | 138.5 | -59.1 | 166.1 | 178 | 162.5 | 0 | 120 | | |
| 1596 | Y | 27.8 | Very low | 29.2 | Very low | 232 Ų | 232 | 115.2 Ų | 115.2 | 91% | 0.91 | 60% | 0.601 | S | S | * | * | | | trans | 76.4 | 142.7 | 165.8 | -63 | -72.6 | 0 | 0 | 0 | 117.9 | | |
| 1597 | H | 27.3 | Very low | 29.3 | Very low | 167 Ų | 167 | 120.9 Ų | 120.9 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | | | trans | -100.2 | 159.9 | -161.6 | -96.2 | -96.8 | 0 | 0 | 0 | 115.7 | | |
| 1598 | P | 30.7 | Very low | 29.1 | Very low | 97 Ų | 97 | 124.6 Ų | 124.6 | 63% | 0.63 | 63% | 0.633 | S | S | * | * | | | trans | -77 | 162.5 | 175.4 | -5.9 | 25.8 | 0 | 0 | 0 | 113.1 | | |
| 1599 | L | 28.1 | Very low | 28.7 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 65% | 0.649 | 65% | 0.646 | S | S | * | * | | | | 68.9 | 151.4 | 58.4 | -48.4 | 170.8 | 0 | 0 | 0 | 113.1 | | |
| 1600 | F | 28 | Very low | 28.5 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 69% | 0.689 | 67% | 0.669 | S | S | * | * | | | cis | -152.2 | -165.5 | 29.8 | -119.5 | -58.2 | 0 | 0 | 0 | 116.1 | | |
| 1601 | R | 28.3 | Very low | 28.1 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 64% | 0.642 | 68% | 0.684 | S | S | * | * | | | trans | -110 | 168.1 | -177.8 | -132.3 | 179.5 | -175.6 | -178.1 | 0.2 | 109.4 | L354 | L354-R1601 HydrophobicContact CD1-CB 4.28Å; L354-R1601 HydrophobicContact CD1-CG 3.47Å; L354-R1601 VanDerWaalsContact CD1-CG 3.47Å; L354-R1601 HydrophobicContact CG-CG 4.15Å |
| 1602 | C | 26.6 | Very low | 27.9 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 48% | 0.48 | 69% | 0.689 | S | S | . | * | | | | -169.9 | -173.4 | 82.9 | -95.6 | 0 | 0 | 0 | 0 | 113.1 | T353 L354 | T353-C1602 CarbonylContact C-O 3.28Å; T353-C1602 VanDerWaalsContact C-O 3.27Å; L354-C1602 WeakPolarHBondContact CB-O 3.37Å; L354-C1602 WeakPolarHBondContact CG-O 3.07Å; L354-C1602 PolarHBondContact N-O 3Å; L354-C1602 VanDerWaalsContact N-O 3.09Å |
| 1603 | N | 28.7 | Very low | 27.8 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 51% | 0.508 | 68% | 0.677 | S | S | . | * | | | trans | -149.6 | 166.2 | -164.4 | -163.4 | 20.5 | 0 | 0 | 0 | 115 | | |
| 1604 | N | 29.6 | Very low | 27.5 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 47% | 0.465 | 68% | 0.676 | S | S | . | * | | | trans | 80.6 | 118.3 | 154.8 | -82.7 | 2.8 | 0 | 0 | 0 | 124.2 | | |
| 1605 | T | 29.9 | Very low | 27.3 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | | | | 80 | 117.2 | 120.8 | 59.5 | 0 | 0 | 0 | 0 | 126.8 | | |
| 1606 | V | 30.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 119.3 Ų | 119.3 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | | | | 115 | 111.6 | 113 | 158.4 | 0 | 0 | 0 | 0 | 123.1 | | |
| 1607 | E | 28.4 | Very low | 27.3 | Very low | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 61% | 0.609 | S | S | * | * | | | trans | 69.7 | 134.8 | 141.5 | -75 | -162.9 | 136.5 | 0 | 0 | 128.2 | | |
| 1608 | K | 28.9 | Very low | 27.2 | Very low | 164 Ų | 164 | 108.5 Ų | 108.5 | 71% | 0.713 | 60% | 0.603 | S | S | * | * | | | trans | 76 | 150.6 | 142.7 | -73.3 | 160.4 | -177.7 | 150.8 | 0 | 121.1 | | |
| 1609 | S | 27.1 | Very low | 26.9 | Very low | 94 Ų | 94 | 108.9 Ų | 108.9 | 66% | 0.657 | 60% | 0.6 | S | S | * | * | | | cis | -178.3 | 158 | -26.1 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 1610 | L | 26.3 | Very low | 26.8 | Very low | 165 Ų | 165 | 109.1 Ų | 109.1 | 86% | 0.864 | 61% | 0.606 | S | S | * | * | | | trans | 71.7 | 144.9 | 165.4 | -101.4 | 67.9 | 0 | 0 | 0 | 115.9 | | |
| 1611 | V | 24.9 | Very low | 26.8 | Very low | 130 Ų | 130 | 107.8 Ų | 107.8 | 79% | 0.788 | 60% | 0.602 | S | S | * | * | | | cis | -139.7 | 159.6 | 6.4 | -178.6 | 0 | 0 | 0 | 0 | 107 | | |
| 1612 | G | 25.4 | Very low | 26.6 | Very low | 71 Ų | 71 | 107.3 Ų | 107.3 | 73% | 0.732 | 60% | 0.604 | S | S | * | * | | | cis | 176.9 | -153.1 | 4.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1613 | S | 23.6 | Very low | 26.5 | Very low | 84 Ų | 84 | 109.3 Ų | 109.3 | 59% | 0.587 | 61% | 0.61 | S | S | * | * | | | cis | -157.6 | 143.4 | -4.8 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1614 | L | 23.4 | Very low | 26.3 | Very low | 134 Ų | 134 | 110.9 Ų | 110.9 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | | | trans | 65.5 | 143.8 | 166.8 | -61.4 | 153.3 | 0 | 0 | 0 | 116.7 | | |
| 1615 | S | 23.3 | Very low | 26.2 | Very low | 35 Ų | 35 | 112.6 Ų | 112.6 | 25% | 0.245 | 62% | 0.623 | C | S | . | * | | | cis | 179.3 | 139.4 | -6.3 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | L1966 K1967 | S1615-L1966 VanDerWaalsContact C-CD2 3.45Å; S1615-K1967 WeakPolarHBondContact O-CD 3.38Å; S1615-K1967 PolarHBondContact O-NZ 3.09Å; S1615-K1967 PolarHBondContact OG-NZ 2.84Å |
| 1616 | N | 27 | Very low | 26.1 | Very low | 66 Ų | 66 | 115.1 Ų | 115.1 | 35% | 0.353 | 63% | 0.632 | S | S | . | * | | | trans | 72.9 | 117.4 | 167.6 | -69.6 | -16.2 | 0 | 0 | 0 | 118.9 | K4 R53 L1966 | K4-N1616 PolarHBondContact NZ-OD1 3.39Å; K4-N1616 VanDerWaalsContact NZ-OD1 3.13Å; R53-N1616 PolarHBondContact O-ND2 3.24Å; N1616-L1966 VanDerWaalsContact C-CD2 3.42Å; N1616-L1966 WeakPolarHBondContact O-CD2 3.4Å |
| 1617 | Y | 26.8 | Very low | 25.8 | Very low | 77 Ų | 77 | 119 Ų | 119 | 30% | 0.302 | 63% | 0.633 | S | S | . | * | | | | 69.4 | 133.2 | 90.6 | -92.5 | -50.3 | 0 | 0 | 0 | 112.9 | K4 I5 R53 | K4-Y1617 HydrophobicContact CD-CE2 4.23Å; I5-Y1617 PolarHBondContact O-OH 3.35Å; R53-Y1617 HydrophobicContact CG-CE2 4.3Å |
| 1618 | C | 25.4 | Very low | 25.6 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 64% | 0.635 | 64% | 0.636 | S | S | * | * | | | cis | -135.7 | 177.5 | 15.3 | -68.7 | 0 | 0 | 0 | 0 | 115 | | |
| 1619 | D | 25.8 | Very low | 25.7 | Very low | 106 Ų | 106 | 118.3 Ų | 118.3 | 57% | 0.567 | 64% | 0.636 | S | S | * | * | | | trans | -54.4 | 162 | -177.1 | -52.8 | -81 | 0 | 0 | 0 | 120.5 | | |
| 1620 | V | 25.7 | Very low | 25.6 | Very low | 128 Ų | 128 | 120.4 Ų | 120.4 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | | | trans | 67.4 | 130.3 | 139.6 | 164.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1621 | E | 27.5 | Very low | 25.7 | Very low | 129 Ų | 129 | 116.7 Ų | 116.7 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | | | cis | -161.8 | 165.2 | -8.9 | -119.8 | -174.3 | 158.4 | 0 | 0 | 109.5 | | |
| 1622 | F | 24.1 | Very low | 25.9 | Very low | 160 Ų | 160 | 117 Ų | 117 | 70% | 0.702 | 61% | 0.607 | S | S | * | * | | | trans | 62.6 | 139 | 153.5 | -91.1 | -130.7 | 0 | 0 | 0 | 118.8 | | |
| 1623 | L | 25 | Very low | 25.9 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 59% | 0.592 | 60% | 0.596 | S | S | * | * | | | cis | -162.6 | 163.1 | -6.6 | -166 | 63.8 | 0 | 0 | 0 | 109.3 | | |
| 1624 | N | 24.7 | Very low | 26.1 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 69% | 0.69 | 58% | 0.584 | S | S | * | * | | | trans | 18.5 | 129.3 | 159.6 | -58.1 | -8.1 | 0 | 0 | 0 | 118.6 | | |
| 1625 | E | 26.5 | Very low | 26.4 | Very low | 122 Ų | 122 | 114.9 Ų | 114.9 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | | | cis | -133.3 | 155.5 | 45 | -86 | -78.8 | 179.1 | 0 | 0 | 110 | R1627 | E1625-R1627 PolarHBondContact OE2-N 2.89Š|
| 1626 | L | 27.3 | Very low | 27 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 79% | 0.791 | 59% | 0.593 | S | S | * | * | | | | -145.2 | 124 | 61.4 | -96.6 | 160.7 | 0 | 0 | 0 | 115 | L1628 | L1626-L1628 PolarHBondContact O-N 3.1Š|
| 1627 | R | 24.5 | Very low | 27.6 | Very low | 208 Ų | 208 | 123.5 Ų | 123.5 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | | | trans | -57.9 | 107.7 | 140.4 | -70 | 155.4 | 135 | 174 | -6.3 | 109.2 | E1625 | E1625-R1627 PolarHBondContact OE2-N 2.89Š|
| 1628 | L | 25.1 | Very low | 27.7 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 70% | 0.702 | 63% | 0.634 | S | S | * | * | | | trans | -175.2 | 78.9 | 147.3 | -102.8 | 157.3 | 0 | 0 | 0 | 112.2 | L1626 | L1626-L1628 PolarHBondContact O-N 3.1Š|
| 1629 | H | 29.9 | Very low | 28.3 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | | | | -169 | 142.4 | 97.6 | -116.6 | 73.5 | 0 | 0 | 0 | 113.9 | | |
| 1630 | L | 26.3 | Very low | 28.6 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 72% | 0.723 | 65% | 0.649 | S | S | * | * | | | trans | -68 | 164.2 | 152.4 | -79.4 | 68.8 | 0 | 0 | 0 | 107.7 | | |
| 1631 | L | 26.8 | Very low | 28.6 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 46% | 0.461 | 63% | 0.633 | S | S | . | * | | | | 175.7 | 137.9 | 89.8 | -88.9 | 170.5 | 0 | 0 | 0 | 109.8 | | |
| 1632 | R | 28.9 | Very low | 28.4 | Very low | 135 Ų | 135 | 125.2 Ų | 125.2 | 51% | 0.509 | 63% | 0.626 | S | S | . | * | | | | 45.4 | 177.9 | 106.1 | -70.6 | -166 | 168.9 | 154.7 | -3.5 | 117.2 | I355 T356 | I355-R1632 VanDerWaalsContact C-CA 3.48Å; I355-R1632 VanDerWaalsContact N-C 3.3Å; I355-R1632 PolarHBondContact N-O 3.36Å; I355-R1632 WeakPolarHBondContact O-CA 3.49Å; I355-R1632 PolarHBondContact O-N 2.68Å; T356-R1632 WeakPolarHBondContact OG1-CA 3.48Å; T356-R1632 WeakPolarHBondContact OG1-CG 3.22Å |
| 1633 | M | 25.4 | Very low | 28.4 | Very low | 102 Ų | 102 | 121 Ų | 121 | 50% | 0.502 | 61% | 0.611 | S | S | . | * | | | cis | -95.6 | -166 | -0 | -65.4 | -66.3 | -170.9 | 0 | 0 | 114.1 | L354 T356 | L354-M1633 VanDerWaalsContact CD2-C 3.44Å; L354-M1633 HydrophobicContact CD2-CB 3.75Å; L354-M1633 WeakPolarHBondContact CD2-O 3.21Å; T356-M1633 WeakPolarHBondContact CB-O 3.48Å; T356-M1633 PolarHBondContact N-O 3.43Å; T356-M1633 PolarHBondContact OG1-O 2.93Å |
| 1634 | N | 28.9 | Very low | 28.5 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 34% | 0.337 | 62% | 0.616 | S | S | . | * | | | trans | -127.3 | -164.3 | -133 | -42 | -75 | 0 | 0 | 0 | 114 | T356 | T356-N1634 PolarHBondContact OG1-OD1 2.88Š|
| 1635 | S | 29 | Very low | 28.5 | Very low | 80 Ų | 80 | 122.7 Ų | 122.7 | 56% | 0.559 | 62% | 0.621 | S | S | * | * | | | trans | 83.3 | 144 | 155.9 | 81.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1636 | H | 36.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 125 Ų | 125 | 58% | 0.579 | 63% | 0.633 | S | S | * | * | | | cis | -119.9 | 172 | 38.5 | -70.8 | -106 | 0 | 0 | 0 | 113.7 | | |
| 1637 | H | 38.7 | Very low | 28.9 | Very low | 158 Ų | 158 | 123.8 Ų | 123.8 | 73% | 0.731 | 64% | 0.635 | S | S | * | * | | | cis | -145.8 | 151.7 | 0.1 | -136.9 | -65.6 | 0 | 0 | 0 | 110.9 | | |
| 1638 | N | 30.7 | Very low | 29.1 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | | | trans | -67.7 | 153.6 | 157.3 | -82.3 | -38.3 | 0 | 0 | 0 | 110.6 | | |
| 1639 | V | 36.3 | Very low | 29.2 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | | | | -171.5 | 123.6 | 127.8 | 138.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1640 | I | 32.9 | Very low | 29.2 | Very low | 148 Ų | 148 | 114.6 Ų | 114.6 | 76% | 0.759 | 61% | 0.613 | S | S | * | * | | | trans | 42.7 | 101.4 | 141.7 | -49.6 | 176.5 | 0 | 0 | 0 | 119.5 | | |
| 1641 | S | 24.6 | Very low | 29.2 | Very low | 63 Ų | 63 | 111.9 Ų | 111.9 | 44% | 0.441 | 60% | 0.597 | S | S | . | * | | | trans | 69 | -173.8 | 133.2 | -150.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 1642 | N | 24.6 | Very low | 29.4 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 46% | 0.455 | 61% | 0.613 | S | S | . | * | | | trans | 66.7 | 109.7 | 148.7 | -76.8 | 20.8 | 0 | 0 | 0 | 118.2 | K1384 Y1385 N1644 | K1384-N1642 WeakPolarHBondContact CE-O 3.31Å; K1384-N1642 PolarHBondContact NZ-O 2.69Å; Y1385-N1642 WeakPolarHBondContact OH-CA 3.32Å; N1642-N1644 VanDerWaalsContact C-N 3.3Å; N1642-N1644 PolarHBondContact O-N 3.28Å |
| 1643 | N | 23.8 | Very low | 29.4 | Very low | 70 Ų | 70 | 110.9 Ų | 110.9 | 37% | 0.374 | 62% | 0.618 | S | S | . | * | | | | -55.2 | 112.9 | 116 | -77.8 | -19.8 | 0 | 0 | 0 | 103.7 | K1384 Y1385 | K1384-N1643 VanDerWaalsContact CD-OD1 3.27Å; K1384-N1643 WeakPolarHBondContact CD-OD1 3.2Å; Y1385-N1643 HydrophobicContact CE2-CB 3.91Å; Y1385-N1643 PolarHBondContact OH-N 2.67Å; Y1385-N1643 PolarHBondContact OH-O 2.82Å |
| 1644 | N | 26.6 | Very low | 29.9 | Very low | 129 Ų | 129 | 115.4 Ų | 115.4 | 69% | 0.69 | 64% | 0.638 | S | S | * | * | | | | -132.3 | -175.4 | 75.1 | -63.2 | -42 | 0 | 0 | 0 | 113.2 | N1642 | N1642-N1644 VanDerWaalsContact C-N 3.3Å; N1642-N1644 PolarHBondContact O-N 3.28Å |
| 1645 | N | 25.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 117.4 Ų | 117.4 | 80% | 0.802 | 65% | 0.645 | S | S | * | * | | | trans | -62.8 | 151.9 | 164.8 | -76.8 | -17 | 0 | 0 | 0 | 111.3 | | |
| 1646 | M | 35.1 | Very low | 29.9 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 83% | 0.833 | 65% | 0.647 | S | S | * | * | | | trans | 64.8 | 179.2 | 155.5 | -61.6 | -63.6 | -173.7 | 0 | 0 | 113.6 | | |
| 1647 | P | 28 | Very low | 29.7 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | | | cis | -99.6 | 131.7 | 39.7 | 35.2 | -33.5 | 0 | 0 | 0 | 115.3 | | |
| 1648 | G | 27.5 | Very low | 29.5 | Very low | 51 Ų | 51 | 121.6 Ų | 121.6 | 53% | 0.526 | 65% | 0.651 | S | S | . | * | | | | 58.4 | 170.8 | 128.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1649 | Q | 28.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 120.4 Ų | 120.4 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | | | cis | -170.6 | 170.9 | -6.4 | -114.8 | 176.5 | -53.4 | 0 | 0 | 105.3 | | |
| 1650 | I | 28.1 | Very low | 29.2 | Very low | 86 Ų | 86 | 120.3 Ų | 120.3 | 44% | 0.441 | 64% | 0.644 | S | S | . | * | | | cis | -162.7 | 162.4 | 24.9 | -138.1 | 169 | 0 | 0 | 0 | 113.2 | | |
| 1651 | E | 26.3 | Very low | 28.9 | Very low | 80 Ų | 80 | 118.3 Ų | 118.3 | 37% | 0.374 | 64% | 0.635 | S | S | . | * | | | trans | 32.5 | 130.1 | 160.5 | -70.3 | 124.2 | -142.8 | 0 | 0 | 125.1 | E1665 N1666 | E1651-E1665 WeakPolarHBondContact OE1-CA 3.49Å; E1651-E1665 PolarHBondContact OE1-N 3.44Å; E1651-E1665 WeakPolarHBondContact OE2-CA 3.41Å; E1651-N1666 PolarHBondContact OE1-N 3.13Å; E1651-N1666 PolarHBondContact OE2-N 3.48Å |
| 1652 | S | 31.2 | Very low | 29.1 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 81% | 0.811 | 64% | 0.639 | S | S | * | * | | | | -161.6 | 138 | 101.4 | 66.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 1653 | S | 28.6 | Very low | 29.1 | Very low | 86 Ų | 86 | 118.9 Ų | 118.9 | 60% | 0.601 | 63% | 0.634 | S | S | * | * | | | cis | 140.1 | 101.1 | -15.7 | 59 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1654 | Q | 36.8 | Very low | 29.4 | Very low | 197 Ų | 197 | 118.1 Ų | 118.1 | 92% | 0.921 | 64% | 0.643 | S | S | * | * | | | trans | 171.4 | 111.9 | 134.4 | -92.9 | 165.8 | 24.7 | 0 | 0 | 112.2 | | |
| 1655 | Q | 27.3 | Very low | 29.3 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 50% | 0.495 | 64% | 0.638 | S | S | . | * | | | trans | -90.8 | 167.2 | 168.4 | -67 | 177 | -16.5 | 0 | 0 | 111.2 | V1663 | Q1655-V1663 HydrophobicContact CB-CG2 4.26Å; Q1655-V1663 HydrophobicContact CG-CG2 4.42Å |
| 1656 | R | 30.5 | Very low | 29.2 | Very low | 158 Ų | 158 | 114 Ų | 114 | 60% | 0.596 | 62% | 0.617 | S | S | * | * | | | | 147.5 | 150.6 | 127.8 | -83.9 | 160.1 | 177.8 | -176.8 | -1.3 | 111.8 | I1662 | R1656-I1662 VanDerWaalsContact NH2-CG1 3.3Š|
| 1657 | K | 33.2 | Very low | 28.8 | Very low | 161 Ų | 161 | 110.2 Ų | 110.2 | 70% | 0.7 | 60% | 0.603 | S | S | * | * | | | cis | -141.6 | 167.8 | 10.1 | -113.3 | 149.7 | -178.9 | -179.3 | 0 | 107.8 | | |
| 1658 | N | 33.7 | Very low | 28.6 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | S | Bend | cis | -159.3 | 145.8 | 35.9 | -143.1 | 18.3 | 0 | 0 | 0 | 110.5 | | |
| 1659 | V | 31.6 | Very low | 28.5 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 74% | 0.739 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 57.6 | 95.3 | 167.5 | -170.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1660 | N | 28 | Very low | 28.5 | Very low | 125 Ų | 125 | 111.4 Ų | 111.4 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | S | Bend | cis | -129.2 | 146.6 | 7.3 | -98.2 | 16.7 | 0 | 0 | 0 | 112.1 | | |
| 1661 | D | 27.6 | Very low | 28.5 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | | | trans | 66.6 | 104.5 | 143 | -54.1 | -19.8 | 0 | 0 | 0 | 118.3 | | |
| 1662 | I | 28.6 | Very low | 28.6 | Very low | 100 Ų | 100 | 116.8 Ų | 116.8 | 51% | 0.513 | 63% | 0.633 | S | S | . | * | | | | 80.1 | 116 | 89.7 | -73.5 | 160.5 | 0 | 0 | 0 | 109.9 | R1656 | R1656-I1662 VanDerWaalsContact NH2-CG1 3.3Š|
| 1663 | V | 24.7 | Very low | 28.4 | Very low | 60 Ų | 60 | 119 Ų | 119 | 36% | 0.364 | 63% | 0.632 | S | S | . | * | | | | 67.8 | 152.7 | 57 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | Q1655 | Q1655-V1663 HydrophobicContact CB-CG2 4.26Å; Q1655-V1663 HydrophobicContact CG-CG2 4.42Å |
| 1664 | G | 29.1 | Very low | 28.4 | Very low | 54 Ų | 54 | 123 Ų | 123 | 56% | 0.557 | 64% | 0.641 | S | S | * | * | | | trans | 120.4 | 104 | -165 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1665 | E | 25.2 | Very low | 28.1 | Very low | 124 Ų | 124 | 122.5 Ų | 122.5 | 58% | 0.579 | 64% | 0.639 | S | S | * | * | | | cis | 66.7 | 116.2 | 30.8 | -59.1 | -169.6 | 113.3 | 0 | 0 | 114.4 | E1651 | E1651-E1665 WeakPolarHBondContact OE1-CA 3.49Å; E1651-E1665 PolarHBondContact OE1-N 3.44Å; E1651-E1665 WeakPolarHBondContact OE2-CA 3.41Å |
| 1666 | N | 24.3 | Very low | 28.4 | Very low | 67 Ų | 67 | 121.4 Ų | 121.4 | 36% | 0.358 | 66% | 0.655 | S | S | . | * | | | trans | 72.7 | 153.8 | 143.1 | -74.5 | -51 | 0 | 0 | 0 | 116.1 | E1651 | E1651-N1666 PolarHBondContact OE1-N 3.13Å; E1651-N1666 PolarHBondContact OE2-N 3.48Å |
| 1667 | V | 25.1 | Very low | 28.7 | Very low | 91 Ų | 91 | 120.1 Ų | 120.1 | 55% | 0.552 | 67% | 0.671 | S | S | * | * | S | Bend | | 56.2 | 86.7 | 59.7 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1668 | T | 25.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | | | trans | 70.9 | 151.9 | 157.1 | 57 | 0 | 0 | 0 | 0 | 120.1 | | |
| 1669 | C | 25.3 | Very low | 29.2 | Very low | 103 Ų | 103 | 116.7 Ų | 116.7 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | | | trans | 59 | 118.5 | 153.6 | 56.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 1670 | I | 27.2 | Very low | 29.2 | Very low | 150 Ų | 150 | 118 Ų | 118 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | | | | 97 | 110.8 | 128.2 | -73.5 | 169.1 | 0 | 0 | 0 | 119.7 | | |
| 1671 | H | 28.5 | Very low | 29.3 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 72% | 0.718 | 67% | 0.671 | S | S | * | * | | | trans | 68.1 | 114.3 | 149 | -80.8 | -101.2 | 0 | 0 | 0 | 123.5 | | |
| 1672 | D | 29.2 | Very low | 29.3 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 67% | 0.668 | 69% | 0.685 | S | S | * | * | | | | 77.5 | 117.9 | 125.4 | -63.3 | -6.9 | 0 | 0 | 0 | 125.3 | | |
| 1673 | M | 26.9 | Very low | 29.5 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 80% | 0.798 | 70% | 0.7 | S | S | * | * | | | trans | 91.3 | 114.4 | 142.1 | -71.8 | -166.5 | -68 | 0 | 0 | 123.5 | | |
| 1674 | Q | 28.1 | Very low | 29.8 | Very low | 169 Ų | 169 | 127.6 Ų | 127.6 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | 89 | 105.5 | 139.9 | -65.6 | 179.5 | 1.8 | 0 | 0 | 123.3 | | |
| 1675 | H | 29.6 | Very low | 29.8 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 87% | 0.87 | 73% | 0.732 | S | S | * | * | | | trans | 41.3 | 98.2 | 139.3 | -66.2 | -74.9 | 0 | 0 | 0 | 124.1 | | |
| 1676 | G | 35.2 | Very low | 29.7 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | | 82.3 | 113.4 | 109.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 1677 | S | 37 | Very low | 29.7 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 92% | 0.923 | 75% | 0.752 | S | S | * | * | | | trans | -157 | -160.9 | 166.5 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1678 | N | 37.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 61% | 0.61 | 76% | 0.764 | S | S | * | * | | | | -152.7 | 172.5 | -118.3 | -160.8 | -0.5 | 0 | 0 | 0 | 113.6 | D1680 I1862 | N1678-D1680 PolarHBondContact O-N 3.06Å; N1678-I1862 WeakPolarHBondContact OD1-CD1 3.19Å |
| 1679 | D | 39.2 | Very low | 29.8 | Very low | 107 Ų | 107 | 140.8 Ų | 140.8 | 57% | 0.572 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -74.9 | 115.1 | 173 | -73.9 | -39.2 | 0 | 0 | 0 | 113.1 | K1861 I1862 | D1679-K1861 PolarHBondContact O-NZ 3.28Å; D1679-I1862 HydrophobicContact CB-CD1 4.25Å; D1679-I1862 WeakPolarHBondContact OD2-CD1 2.98Å |
| 1680 | D | 31.7 | Very low | 29.8 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | 51.9 | 147.2 | 142.8 | -76 | -12.5 | 0 | 0 | 0 | 124.1 | N1678 | N1678-D1680 PolarHBondContact O-N 3.06Š|
| 1681 | S | 29.4 | Very low | 29.9 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | 71.7 | 88.7 | 161.5 | -56.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1682 | D | 28.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 139 Ų | 139 | 87% | 0.872 | 76% | 0.758 | S | S | * | * | | | | -145.1 | 158.3 | 117.3 | -145.2 | -15.4 | 0 | 0 | 0 | 111.2 | | |
| 1683 | M | 31.7 | Very low | 29.8 | Very low | 169 Ų | 169 | 140 Ų | 140 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | -102.8 | 179.6 | 177.3 | -118.1 | -168.9 | 76.5 | 0 | 0 | 111.9 | | |
| 1684 | L | 31.1 | Very low | 29.8 | Very low | 141 Ų | 141 | 137.4 Ų | 137.4 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | | | trans | -66.7 | 154.9 | -177.6 | -72.3 | 165.2 | 0 | 0 | 0 | 113.6 | | |
| 1685 | Q | 28.8 | Very low | 29.7 | Very low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 75% | 0.753 | S | S | * | * | | | trans | 97 | 131.8 | 140.3 | -147 | 163.7 | 6.4 | 0 | 0 | 118.5 | | |
| 1686 | S | 23.7 | Very low | 29.5 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | trans | -72.7 | 148.5 | 166 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1687 | S | 25.1 | Very low | 29.1 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 40.6 | 99.6 | 145.8 | 63.8 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1688 | L | 23.7 | Very low | 28.6 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 80% | 0.796 | 72% | 0.722 | S | S | * | * | | | trans | 164.4 | 129.1 | 134.9 | -92.1 | 160.4 | 0 | 0 | 0 | 110.3 | | |
| 1689 | Y | 27.8 | Very low | 28.5 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 78% | 0.784 | 71% | 0.714 | S | S | * | * | | | trans | 63.5 | 124.6 | 169.1 | -73.7 | -110 | 0 | 0 | 0 | 115.2 | | |
| 1690 | S | 26.8 | Very low | 28 | Very low | 93 Ų | 93 | 128.1 Ų | 128.1 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | | 66.9 | 128.8 | 51.4 | -54.7 | 0 | 0 | 0 | 0 | 113 | | |
| 1691 | D | 27.9 | Very low | 28 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | | | trans | 67.1 | 144.4 | 158.7 | -76.2 | 4.4 | 0 | 0 | 0 | 116.7 | | |
| 1692 | K | 29.2 | Very low | 28.2 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 64% | 0.643 | 69% | 0.69 | S | S | * | * | | | cis | -165.1 | 165.5 | 18.4 | -129.1 | 167.6 | -168.9 | 93.8 | 0 | 111.4 | | |
| 1693 | Q | 27.1 | Very low | 28.5 | Very low | 147 Ų | 147 | 122 Ų | 122 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | | | trans | 63.8 | 126.5 | 142.2 | -82.5 | 164 | -26.3 | 0 | 0 | 122.4 | | |
| 1694 | T | 27.1 | Very low | 28.8 | Very low | 107 Ų | 107 | 119.1 Ų | 119.1 | 66% | 0.656 | 68% | 0.683 | S | S | * | * | | | | 6.9 | 131.5 | 122.3 | 61.7 | 0 | 0 | 0 | 0 | 118.2 | | |
| 1695 | Q | 24.8 | Very low | 29.4 | Very low | 174 Ų | 174 | 115.6 Ų | 115.6 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | | | | -178.1 | 176.6 | 112.7 | -101 | 169.1 | 60.9 | 0 | 0 | 113 | | |
| 1696 | S | 26.6 | Very low | 29.8 | Very low | 90 Ų | 90 | 110.5 Ų | 110.5 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | | | trans | -40.3 | 155.5 | 170.3 | 55 | 0 | 0 | 0 | 0 | 117.1 | | |
| 1697 | L | 26.6 | Very low | 30.6 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | | | | -164.5 | 161.8 | 100.6 | -99.3 | 174 | 0 | 0 | 0 | 113 | I476 | I476-L1697 HydrophobicContact CD1-CD1 4.38Å; I476-L1697 HydrophobicContact CD1-CD2 3.82Å |
| 1698 | S | 26.7 | Very low | 30.9 | Very low | 82 Ų | 82 | 112.7 Ų | 112.7 | 57% | 0.573 | 68% | 0.677 | S | S | * | * | | | trans | -153.3 | 144.1 | -170.6 | 56.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1699 | S | 35.5 | Very low | 31.1 | Very low | 64 Ų | 64 | 109.2 Ų | 109.2 | 45% | 0.448 | 66% | 0.662 | S | S | . | * | | | trans | 28.1 | 132.1 | 151.2 | 64.3 | 0 | 0 | 0 | 0 | 124.1 | A477 | A477-S1699 CarbonylContact O-C 3.26Å; A477-S1699 VanDerWaalsContact O-C 3.28Å; A477-S1699 WeakPolarHBondContact O-CA 3.44Å; A477-S1699 VanDerWaalsContact O-CB 3.28Å; A477-S1699 WeakPolarHBondContact O-CB 3.47Å |
| 1700 | S | 29.1 | Very low | 31 | Very low | 38 Ų | 38 | 105 Ų | 105 | 27% | 0.266 | 66% | 0.657 | S | S | . | * | | | trans | -150.7 | 124.3 | 153.1 | -43.3 | 0 | 0 | 0 | 0 | 107.5 | I476 A477 | I476-S1700 CarbonylContact C-O 3.38Å; I476-S1700 VanDerWaalsContact N-CB 3.29Å; I476-S1700 PolarHBondContact N-OG 2.99Å; I476-S1700 VanDerWaalsContact N-OG 3.08Å; A477-S1700 CarbonylContact C-O 2.95Å; A477-S1700 WeakPolarHBondContact CA-O 3.08Å; A477-S1700 PolarHBondContact N-O 3.3Å; A477-S1700 CarbonylContact O-C 3.47Å; A477-S1700 WeakPolarHBondContact O-CA 3.48Å; A477-S1700 PolarHBondContact O-N 2.67Å |
| 1701 | A | 31.9 | Very low | 31.2 | Very low | 81 Ų | 81 | 108.6 Ų | 108.6 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | | | | 62.1 | 159 | 83.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 1702 | S | 33.3 | Very low | 30.9 | Very low | 107 Ų | 107 | 107.2 Ų | 107.2 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | | | cis | -160.8 | 165.5 | 23 | -37.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1703 | S | 35.2 | Very low | 30.8 | Very low | 114 Ų | 114 | 103.2 Ų | 103.2 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | | | cis | -175.8 | -175.2 | -23.1 | 62 | 0 | 0 | 0 | 0 | 105.8 | | |
| 1704 | S | 36.7 | Very low | 30.8 | Very low | 109 Ų | 109 | 102.9 Ų | 102.9 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | | | cis | -154.9 | -179.8 | 1.1 | 76 | 0 | 0 | 0 | 0 | 106.6 | | |
| 1705 | G | 44.6 | Very low | 31.2 | Very low | 67 Ų | 67 | 103.7 Ų | 103.7 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | | | cis | 153.4 | 159 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 1706 | G | 35.8 | Very low | 31.7 | Very low | 77 Ų | 77 | 101.4 Ų | 101.4 | 79% | 0.794 | 65% | 0.653 | S | S | * | * | | | trans | -119.6 | 128.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1707 | L | 41.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 106.7 Ų | 106.7 | 72% | 0.723 | 66% | 0.659 | S | S | * | * | | | trans | -122.1 | 85.2 | -155.7 | -125.5 | 75.6 | 0 | 0 | 0 | 115.8 | T1709 | L1707-T1709 HydrophobicContact CB-CG2 3.83Å; L1707-T1709 HydrophobicContact CD2-CG2 3.57Å; L1707-T1709 HydrophobicContact CG-CG2 3.52Å; L1707-T1709 WeakPolarHBondContact O-CG2 3.3Å; L1707-T1709 PolarHBondContact O-OG1 2.82Å; L1707-T1709 VanDerWaalsContact O-OG1 3.1Å |
| 1708 | T | 32.3 | Very low | 31.7 | Very low | 100 Ų | 100 | 102.5 Ų | 102.5 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | | | trans | -99.3 | 104.9 | 137.2 | 45.8 | 0 | 0 | 0 | 0 | 106.4 | | |
| 1709 | T | 27.5 | Very low | 31.9 | Very low | 79 Ų | 79 | 105.6 Ų | 105.6 | 49% | 0.485 | 65% | 0.645 | S | S | . | * | | | cis | 49 | 133 | 40.6 | 83.5 | 0 | 0 | 0 | 0 | 112.1 | L1707 | L1707-T1709 HydrophobicContact CB-CG2 3.83Å; L1707-T1709 HydrophobicContact CD2-CG2 3.57Å; L1707-T1709 HydrophobicContact CG-CG2 3.52Å; L1707-T1709 WeakPolarHBondContact O-CG2 3.3Å; L1707-T1709 PolarHBondContact O-OG1 2.82Å; L1707-T1709 VanDerWaalsContact O-OG1 3.1Å |
| 1710 | T | 25.6 | Very low | 31.5 | Very low | 112 Ų | 112 | 104 Ų | 104 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | | | cis | -135.6 | 156.7 | 13.3 | 56.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1711 | K | 29.5 | Very low | 31.4 | Very low | 169 Ų | 169 | 106.5 Ų | 106.5 | 74% | 0.735 | 65% | 0.646 | S | S | * | * | | | cis | -127.8 | 149.2 | 19 | -68.6 | 177.6 | -178.9 | -179.3 | 0 | 108.4 | | |
| 1712 | S | 22.6 | Very low | 31.3 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 69% | 0.692 | 65% | 0.653 | S | S | * | * | | | cis | 57.8 | 170.8 | 45 | 89.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1713 | S | 27.4 | Very low | 30.8 | Very low | 65 Ų | 65 | 110.4 Ų | 110.4 | 46% | 0.455 | 65% | 0.646 | S | S | . | * | | | trans | 49.8 | 78.6 | 170.7 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1714 | D | 26.9 | Very low | 30.3 | Very low | 140 Ų | 140 | 110.3 Ų | 110.3 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | | | | 93.6 | -166.8 | 98.1 | -66.4 | -40.5 | 0 | 0 | 0 | 108.4 | | |
| 1715 | I | 35 | Very low | 30 | Very low | 124 Ų | 124 | 107.6 Ų | 107.6 | 64% | 0.636 | 62% | 0.618 | S | S | * | * | | | trans | 60.8 | 77.5 | 168.1 | -50.9 | 171.8 | 0 | 0 | 0 | 109.5 | W1717 | I1715-W1717 VanDerWaalsContact CA-N 3.28Å; I1715-W1717 HydrophobicContact CG2-CB 3.49Å; I1715-W1717 VanDerWaalsContact CG2-CB 3.49Å; I1715-W1717 HydrophobicContact CG2-CG 3.82Å; I1715-W1717 VanDerWaalsContact CG2-N 3.25Å; I1715-W1717 PolarHBondContact O-N 2.77Å |
| 1716 | T | 34.5 | Very low | 29.4 | Very low | 126 Ų | 126 | 109.8 Ų | 109.8 | 77% | 0.773 | 62% | 0.618 | S | S | * | * | | | cis | 38.6 | 17.4 | 38.7 | 35.1 | 0 | 0 | 0 | 0 | 115.1 | S1718 | T1716-S1718 PolarHBondContact O-OG 2.87Š|
| 1717 | W | 29.7 | Very low | 29.7 | Very low | 201 Ų | 201 | 111.4 Ų | 111.4 | 76% | 0.761 | 61% | 0.607 | S | S | * | * | | | trans | -93.3 | 93.2 | 141.7 | -86.7 | 18.1 | 0 | 0 | 0 | 107.9 | K506 I1715 | K506-W1717 WeakPolarHBondContact CB-O 3.25Å; K506-W1717 WeakPolarHBondContact CD-O 2.98Å; I1715-W1717 VanDerWaalsContact CA-N 3.28Å; I1715-W1717 HydrophobicContact CG2-CB 3.49Å; I1715-W1717 VanDerWaalsContact CG2-CB 3.49Å; I1715-W1717 HydrophobicContact CG2-CG 3.82Å; I1715-W1717 VanDerWaalsContact CG2-N 3.25Å; I1715-W1717 PolarHBondContact O-N 2.77Å |
| 1718 | S | 24 | Very low | 29.2 | Very low | 61 Ų | 61 | 111.6 Ų | 111.6 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | | | | 52.5 | 90.9 | 73 | -52 | 0 | 0 | 0 | 0 | 110.4 | K506 T1716 | K506-S1718 PolarHBondContact NZ-O 2.69Å; T1716-S1718 PolarHBondContact O-OG 2.87Å |
| 1719 | K | 31.8 | Very low | 28.8 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | | | | -132.7 | 105.2 | 72.9 | -71.8 | -168.6 | 176.9 | -174.4 | 0 | 104 | T505 | T505-K1719 VanDerWaalsContact CB-O 3.25Å; T505-K1719 WeakPolarHBondContact CB-O 2.98Å; T505-K1719 WeakPolarHBondContact CG2-O 3.42Å; T505-K1719 CarbonylContact O-C 3Å |
| 1720 | A | 26.9 | Very low | 28.7 | Very low | 31 Ų | 31 | 108.8 Ų | 108.8 | 26% | 0.256 | 59% | 0.593 | S | S | . | * | | | | 51.1 | 131.9 | 74.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L504 T505 | L504-A1720 WeakPolarHBondContact O-CA 3.22Å; L504-A1720 PolarHBondContact O-N 2.91Å; T505-A1720 PolarHBondContact O-N 3.09Å |
| 1721 | L | 27.3 | Very low | 28.8 | Very low | 90 Ų | 90 | 111.7 Ų | 111.7 | 47% | 0.471 | 60% | 0.603 | S | S | . | * | S | Bend | trans | 71.2 | 159.1 | 172.2 | -46.2 | 149.7 | 0 | 0 | 0 | 110.1 | L504 T505 G1723 | L504-L1721 HydrophobicContact CD1-CD2 4.3Å; L504-L1721 HydrophobicContact CD1-CG 4.49Å; L504-L1721 WeakPolarHBondContact CD2-O 2.84Å; T505-L1721 PolarHBondContact OG1-O 3.44Å; L1721-G1723 PolarHBondContact O-N 2.77Å |
| 1722 | Y | 28.3 | Very low | 28.6 | Very low | 212 Ų | 212 | 108.7 Ų | 108.7 | 83% | 0.831 | 59% | 0.594 | S | S | * | * | S | Bend | cis | 41.1 | 34.1 | 45.4 | -124.2 | -71.1 | 0 | 0 | 0 | 110.9 | N1724 | Y1722-N1724 VanDerWaalsContact O-CA 3.25Å; Y1722-N1724 WeakPolarHBondContact O-CA 3.49Å; Y1722-N1724 PolarHBondContact O-OD1 2.98Å; Y1722-N1724 VanDerWaalsContact O-OD1 3.08Å |
| 1723 | G | 23.1 | Very low | 29.2 | Very low | 58 Ų | 58 | 107.8 Ų | 107.8 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | | | trans | -125.5 | 82.3 | -138.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1721 | L1721-G1723 PolarHBondContact O-N 2.77Š|
| 1724 | N | 25.6 | Very low | 29.9 | Very low | 113 Ų | 113 | 107.4 Ų | 107.4 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | S | Bend | cis | -111.5 | -179.3 | -8.8 | -154.3 | -2.9 | 0 | 0 | 0 | 111.4 | Y1722 | Y1722-N1724 VanDerWaalsContact O-CA 3.25Å; Y1722-N1724 WeakPolarHBondContact O-CA 3.49Å; Y1722-N1724 PolarHBondContact O-OD1 2.98Å; Y1722-N1724 VanDerWaalsContact O-OD1 3.08Å |
| 1725 | S | 29.6 | Very low | 30 | Very low | 51 Ų | 51 | 105.8 Ų | 105.8 | 36% | 0.357 | 57% | 0.568 | S | S | . | * | S | Bend | trans | 11.4 | 126.3 | 136.6 | 60.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1726 | T | 33.5 | Very low | 29.8 | Very low | 114 Ų | 114 | 107.8 Ų | 107.8 | 70% | 0.699 | 57% | 0.569 | S | S | * | * | S | Bend | trans | 49.9 | 82.2 | 138.2 | 61.4 | 0 | 0 | 0 | 0 | 117.4 | D1728 | T1726-D1728 PolarHBondContact O-N 3.44Š|
| 1727 | I | 41.8 | Very low | 29.8 | Very low | 111 Ų | 111 | 106.7 Ų | 106.7 | 57% | 0.569 | 57% | 0.566 | S | S | * | * | | | trans | 54 | 59.5 | 141.9 | -44.4 | 168.4 | 0 | 0 | 0 | 113 | S1729 Y1736 | I1727-S1729 CarbonylContact O-C 3.55Å; I1727-S1729 PolarHBondContact O-N 3.15Å; I1727-S1729 VanDerWaalsContact O-O 3.08Å; I1727-Y1736 HydrophobicContact CD1-CE2 4.08Å; I1727-Y1736 HydrophobicContact CG2-CE2 3.73Å |
| 1728 | D | 29.5 | Very low | 29.7 | Very low | 142 Ų | 142 | 104.5 Ų | 104.5 | 76% | 0.759 | 57% | 0.568 | S | S | * | * | | | trans | -76.6 | 63.9 | -174 | -91.5 | -33.8 | 0 | 0 | 0 | 114.5 | T1726 | T1726-D1728 PolarHBondContact O-N 3.44Š|
| 1729 | S | 24.9 | Very low | 30 | Very low | 71 Ų | 71 | 107.6 Ų | 107.6 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | | | | -137.9 | 143.2 | 118.3 | 76.9 | 0 | 0 | 0 | 0 | 108.2 | I1727 | I1727-S1729 CarbonylContact O-C 3.55Å; I1727-S1729 PolarHBondContact O-N 3.15Å; I1727-S1729 VanDerWaalsContact O-O 3.08Å |
| 1730 | N | 24.8 | Very low | 29.8 | Very low | 49 Ų | 49 | 108.3 Ų | 108.3 | 26% | 0.262 | 59% | 0.585 | S | S | . | * | | | cis | -136 | 148.4 | 25.6 | -58.5 | 49.8 | 0 | 0 | 0 | 112.3 | N1732 N1735 | N1730-N1732 VanDerWaalsContact C-N 3.25Å; N1730-N1732 PolarHBondContact O-N 2.8Å; N1730-N1732 VanDerWaalsContact O-N 3.16Å; N1730-N1735 PolarHBondContact OD1-N 3.02Å |
| 1731 | I | 28 | Very low | 30.2 | Very low | 173 Ų | 173 | 112.4 Ų | 112.4 | 89% | 0.887 | 60% | 0.602 | S | S | * | * | S | Bend | | -66.2 | 104.6 | 129.4 | -70.1 | -178.6 | 0 | 0 | 0 | 104.7 | | |
| 1732 | N | 26 | Very low | 30.2 | Very low | 105 Ų | 105 | 112.6 Ų | 112.6 | 56% | 0.561 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 20.1 | 126.5 | 165.6 | -72.9 | 34.1 | 0 | 0 | 0 | 118.4 | N1730 | N1730-N1732 VanDerWaalsContact C-N 3.25Å; N1730-N1732 PolarHBondContact O-N 2.8Å; N1730-N1732 VanDerWaalsContact O-N 3.16Å |
| 1733 | E | 35.3 | Very low | 30 | Very low | 80 Ų | 80 | 108.1 Ų | 108.1 | 37% | 0.374 | 61% | 0.609 | S | S | . | * | S | Bend | cis | -160.5 | 96.4 | 30.6 | -123.4 | 150.5 | -124.7 | 0 | 0 | 112.2 | K1759 L1760 | E1733-K1759 IonicContact OE2-NZ 3.41Å; E1733-K1759 PolarHBondContact OE2-NZ 2.69Å; E1733-L1760 HydrophobicContact CB-CB 4.42Å; E1733-L1760 HydrophobicContact CB-CD1 4.25Å; E1733-L1760 WeakPolarHBondContact O-CA 3.32Å; E1733-L1760 VanDerWaalsContact O-CB 3.31Å; E1733-L1760 WeakPolarHBondContact O-CB 3.06Å; E1733-L1760 PolarHBondContact O-N 3.27Å |
| 1734 | S | 41.5 | Very low | 30.4 | Very low | 57 Ų | 57 | 111 Ų | 111 | 40% | 0.399 | 61% | 0.611 | S | S | . | * | | | cis | -176.6 | 133.7 | -19.5 | 35 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1735 | N | 29.6 | Very low | 30.8 | Very low | 106 Ų | 106 | 111 Ų | 111 | 57% | 0.567 | 62% | 0.619 | S | S | * | * | | | trans | 76.6 | 135.9 | 168.1 | -41.1 | -49.9 | 0 | 0 | 0 | 119.2 | N1730 | N1730-N1735 PolarHBondContact OD1-N 3.02Š|
| 1736 | Y | 30.7 | Very low | 31.1 | Very low | 167 Ų | 167 | 113.8 Ų | 113.8 | 66% | 0.655 | 64% | 0.639 | S | S | * | * | | | trans | 56.1 | 133.5 | 137.7 | -91.9 | -63.6 | 0 | 0 | 0 | 126.1 | I1727 | I1727-Y1736 HydrophobicContact CD1-CE2 4.08Å; I1727-Y1736 HydrophobicContact CG2-CE2 3.73Å |
| 1737 | S | 33.3 | Very low | 31.3 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 64% | 0.643 | S | S | * | * | | | | 81.3 | -153.2 | 129.6 | 80.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1738 | I | 28.7 | Very low | 31 | Very low | 155 Ų | 155 | 113.5 Ų | 113.5 | 80% | 0.795 | 65% | 0.647 | S | S | * | * | | | trans | 70.3 | 135 | -163 | -65.2 | 174.3 | 0 | 0 | 0 | 112.3 | | |
| 1739 | N | 30.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 113.8 Ų | 113.8 | 67% | 0.674 | 65% | 0.648 | S | S | * | * | | | cis | -147 | 179.5 | 12.1 | -151.3 | -18.7 | 0 | 0 | 0 | 112.8 | | |
| 1740 | Q | 27.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 115.7 Ų | 115.7 | 75% | 0.752 | 66% | 0.661 | S | S | * | * | | | trans | 66 | 124.2 | 167.1 | -69.6 | -95.4 | 1.5 | 0 | 0 | 118.5 | | |
| 1741 | L | 34.1 | Very low | 31.9 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 61% | 0.613 | 69% | 0.687 | S | S | * | * | S | Bend | cis | -169.5 | 150 | -31.4 | -133.7 | 77.7 | 0 | 0 | 0 | 105.2 | | |
| 1742 | S | 27.8 | Very low | 32.4 | Very low | 94 Ų | 94 | 120 Ų | 120 | 66% | 0.657 | 69% | 0.686 | S | S | * | * | S | Bend | cis | -129.7 | 176.5 | 4.3 | 67 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1743 | C | 24 | Very low | 32.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | S | Bend | cis | -67.6 | 144.8 | 2.5 | -59.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1744 | N | 30.7 | Very low | 31.8 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 64% | 0.636 | 72% | 0.72 | S | S | * | * | | | | 66.1 | 73.5 | 53.4 | -67.6 | 0.3 | 0 | 0 | 0 | 114.2 | | |
| 1745 | S | 35.1 | Very low | 31.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 78% | 0.783 | 74% | 0.735 | S | S | * | * | | | trans | -174.3 | 111.7 | 136.1 | -79.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1746 | S | 35.9 | Very low | 31.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | | | trans | 57 | 143.2 | 152.7 | 36.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1747 | T | 36.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | cis | -164.7 | 144.4 | -27.1 | 1.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1748 | S | 36.7 | Very low | 31.2 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | | | trans | 5.9 | 147.7 | 147.7 | 63.2 | 0 | 0 | 0 | 0 | 125.7 | | |
| 1749 | N | 32.5 | Very low | 31.5 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | | | | 116.9 | 121.5 | 118.1 | -95.5 | 1.8 | 0 | 0 | 0 | 124.2 | | |
| 1750 | S | 32.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | | 90.3 | -175.9 | 128 | 80.5 | 0 | 0 | 0 | 0 | 122 | | |
| 1751 | N | 32.6 | Very low | 31.9 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | | | trans | -129.5 | 177.6 | -141.7 | -97.5 | -37.4 | 0 | 0 | 0 | 114.1 | | |
| 1752 | N | 38.5 | Very low | 31.7 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -21.8 | 135.5 | 164.2 | -165 | 4.6 | 0 | 0 | 0 | 116.6 | | |
| 1753 | R | 22.4 | Very low | 31.8 | Very low | 217 Ų | 217 | 133.9 Ų | 133.9 | 82% | 0.819 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 73 | 118.8 | -166.1 | -87.4 | -167.2 | 172.9 | -163.6 | -0.5 | 117.1 | | |
| 1754 | Q | 25.7 | Very low | 32 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 69.4 | 160.9 | 161.4 | -63.7 | -177.8 | -63.4 | 0 | 0 | 117.5 | | |
| 1755 | S | 31.3 | Very low | 31.9 | Very low | 104 Ų | 104 | 136.2 Ų | 136.2 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | 44 | 92.1 | 171 | 42.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 1756 | Y | 26.3 | Very low | 31.5 | Very low | 214 Ų | 214 | 135.2 Ų | 135.2 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | | | | 73.8 | 121.7 | 84.8 | -95.5 | -73.8 | 0 | 0 | 0 | 114.1 | | |
| 1757 | L | 33.3 | Very low | 31.4 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 80% | 0.801 | 71% | 0.707 | S | S | * | * | | | trans | 68.3 | 137.1 | 166.2 | -49 | 173.1 | 0 | 0 | 0 | 114.6 | | |
| 1758 | S | 32.1 | Very low | 31 | Very low | 87 Ų | 87 | 136 Ų | 136 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | | | cis | -158.9 | 127 | -7.8 | -113.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1759 | K | 34.4 | Very low | 30.7 | Very low | 142 Ų | 142 | 135 Ų | 135 | 62% | 0.617 | 71% | 0.706 | S | S | * | * | | | | 80.9 | 141.4 | 87.7 | -82 | -159.3 | 156 | -161.1 | 0 | 113.4 | E1733 | E1733-K1759 IonicContact OE2-NZ 3.41Å; E1733-K1759 PolarHBondContact OE2-NZ 2.69Å |
| 1760 | L | 32.2 | Very low | 30.6 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 34% | 0.34 | 71% | 0.71 | S | S | . | * | | | cis | -157.1 | 172.1 | -21.9 | -73 | -178.8 | 0 | 0 | 0 | 105.2 | E1733 | E1733-L1760 HydrophobicContact CB-CB 4.42Å; E1733-L1760 HydrophobicContact CB-CD1 4.25Å; E1733-L1760 WeakPolarHBondContact O-CA 3.32Å; E1733-L1760 VanDerWaalsContact O-CB 3.31Å; E1733-L1760 WeakPolarHBondContact O-CB 3.06Å; E1733-L1760 PolarHBondContact O-N 3.27Å |
| 1761 | F | 34.8 | Very low | 30.3 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 61% | 0.61 | 70% | 0.704 | S | S | * | * | | | cis | -165.2 | 158.2 | -15.2 | -111.3 | -17.8 | 0 | 0 | 0 | 105.4 | | |
| 1762 | D | 31.2 | Very low | 29.9 | Very low | 93 Ų | 93 | 137 Ų | 137 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | | | cis | -158.2 | 177.7 | -21.7 | -153.8 | 5.6 | 0 | 0 | 0 | 109 | | |
| 1763 | R | 28.9 | Very low | 29.4 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 65% | 0.653 | 69% | 0.694 | S | S | * | * | | | trans | -4.7 | 126.6 | 144 | -67.1 | 167.8 | -168.7 | 132.7 | -9.4 | 116.1 | | |
| 1764 | S | 27.7 | Very low | 29.7 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | | | | 51.5 | 129.8 | 68.7 | 85.6 | 0 | 0 | 0 | 0 | 114.5 | | |
| 1765 | F | 28.7 | Very low | 29.9 | Very low | 185 Ų | 185 | 120.7 Ų | 120.7 | 81% | 0.811 | 66% | 0.655 | S | S | * | * | | | trans | -158.3 | 151.8 | 142.2 | -111.1 | -67.3 | 0 | 0 | 0 | 112.4 | | |
| 1766 | S | 28.2 | Very low | 30 | Very low | 92 Ų | 92 | 122.2 Ų | 122.2 | 64% | 0.643 | 65% | 0.653 | S | S | * | * | | | trans | 52.3 | 100.8 | 153.7 | 62.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1767 | S | 33.7 | Very low | 30.2 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | | | | 81.1 | 152.7 | 111.5 | 84.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1768 | N | 27 | Very low | 29.9 | Very low | 153 Ų | 153 | 117 Ų | 117 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | | | cis | -162.2 | 165.5 | -24.6 | -114.6 | -20.7 | 0 | 0 | 0 | 111.4 | | |
| 1769 | A | 30.5 | Very low | 30.1 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 58% | 0.579 | 66% | 0.655 | S | S | * | * | | | trans | 48.5 | 99.4 | 146.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 1770 | K | 31 | Very low | 29.8 | Very low | 201 Ų | 201 | 116.6 Ų | 116.6 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | | | | 163.8 | 110.9 | 124.4 | -86.9 | 154.4 | -171.9 | 178.6 | 0 | 108 | | |
| 1771 | S | 25.3 | Very low | 29.6 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | | | cis | 67.6 | 101.8 | 12.6 | 87.5 | 0 | 0 | 0 | 0 | 117.4 | | |
| 1772 | L | 25.1 | Very low | 29.3 | Very low | 157 Ų | 157 | 126.4 Ų | 126.4 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | | | trans | 84.2 | 129.4 | 146.6 | -64.4 | 166.4 | 0 | 0 | 0 | 120.9 | | |
| 1773 | S | 27.6 | Very low | 29.1 | Very low | 92 Ų | 92 | 125.6 Ų | 125.6 | 64% | 0.643 | 70% | 0.701 | S | S | * | * | | | trans | 64.4 | -166.1 | 152.9 | -49.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1774 | P | 29.4 | Very low | 28.9 | Very low | 81 Ų | 81 | 124.4 Ų | 124.4 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | | | cis | -66.1 | -178.9 | 4.9 | -21.5 | 32.7 | 0 | 0 | 0 | 118.2 | T1785 | P1774-T1785 WeakPolarHBondContact CB-OG1 3.23Å; P1774-T1785 WeakPolarHBondContact CD-OG1 3.43Å; P1774-T1785 WeakPolarHBondContact O-CB 3.15Å; P1774-T1785 WeakPolarHBondContact O-CG2 3.22Å |
| 1775 | S | 29.6 | Very low | 28.9 | Very low | 40 Ų | 40 | 123.4 Ų | 123.4 | 28% | 0.28 | 70% | 0.697 | S | S | . | * | | | trans | -127.3 | 176.1 | 141.5 | -61.9 | 0 | 0 | 0 | 0 | 106.6 | L1786 P1787 | S1775-L1786 VanDerWaalsContact OG-C 3.22Å; S1775-L1786 PolarHBondContact OG-O 2.65Å; S1775-P1787 WeakPolarHBondContact CB-O 3.39Å; S1775-P1787 VanDerWaalsContact OG-N 3.15Å; S1775-P1787 PolarHBondContact OG-O 3.27Å |
| 1776 | I | 32.3 | Very low | 28.9 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 70% | 0.697 | 69% | 0.692 | S | S | * | * | | | trans | 86.1 | 92.8 | 169.1 | -48.9 | 167.2 | 0 | 0 | 0 | 116.1 | | |
| 1777 | I | 31.8 | Very low | 29.2 | Very low | 146 Ų | 146 | 120.1 Ų | 120.1 | 75% | 0.749 | 68% | 0.684 | S | S | * | * | | | | 41.8 | 105.7 | 123.3 | -57.4 | 177.6 | 0 | 0 | 0 | 119 | | |
| 1778 | S | 27.1 | Very low | 28.9 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | | | trans | 68 | 152.5 | 138.9 | -59.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 1779 | P | 36 | Very low | 28.9 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 68% | 0.681 | S | S | * | * | S | Bend | cis | -115.7 | 168.7 | 1.4 | 40.6 | -29.9 | 0 | 0 | 0 | 115.8 | | |
| 1780 | T | 28.5 | Very low | 28.8 | Very low | 103 Ų | 103 | 126.1 Ų | 126.1 | 63% | 0.632 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 65 | 87.3 | 158.9 | -42.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1781 | I | 28.1 | Very low | 28.8 | Very low | 164 Ų | 164 | 122.6 Ų | 122.6 | 84% | 0.841 | 68% | 0.681 | S | S | * | * | S | Bend | trans | 61.5 | 62.3 | 144.1 | -39 | 175.4 | 0 | 0 | 0 | 117.7 | | |
| 1782 | R | 27.8 | Very low | 29 | Very low | 246 Ų | 246 | 125.6 Ų | 125.6 | 93% | 0.928 | 69% | 0.689 | S | S | * | * | | | trans | -151.1 | 157.5 | 143.5 | -167.4 | 165.2 | -80 | -157.7 | -2.1 | 111.8 | | |
| 1783 | A | 27 | Very low | 29.4 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | | | trans | -29.3 | 148.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 1784 | N | 24.8 | Very low | 29.6 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 79% | 0.791 | 69% | 0.691 | S | S | * | * | | | trans | 43.7 | 104.9 | 147.1 | -60 | -3 | 0 | 0 | 0 | 119.1 | | |
| 1785 | T | 27.3 | Very low | 29.6 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 48% | 0.479 | 70% | 0.701 | S | S | . | * | | | | 175 | 161.5 | 122.5 | 27.2 | 0 | 0 | 0 | 0 | 114.8 | P1774 | P1774-T1785 WeakPolarHBondContact CB-OG1 3.23Å; P1774-T1785 WeakPolarHBondContact CD-OG1 3.43Å; P1774-T1785 WeakPolarHBondContact O-CB 3.15Å; P1774-T1785 WeakPolarHBondContact O-CG2 3.22Å |
| 1786 | L | 28.2 | Very low | 29.6 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | | | trans | -172 | 170.6 | -179.7 | 77.2 | 175.7 | 0 | 0 | 0 | 110.1 | S1775 | S1775-L1786 VanDerWaalsContact OG-C 3.22Å; S1775-L1786 PolarHBondContact OG-O 2.65Å |
| 1787 | P | 34.9 | Very low | 29.5 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 49% | 0.494 | 72% | 0.719 | S | S | . | * | | | cis | -132.8 | -155.4 | -11.2 | 36.6 | -15.8 | 0 | 0 | 0 | 113 | S1775 | S1775-P1787 WeakPolarHBondContact CB-O 3.39Å; S1775-P1787 VanDerWaalsContact OG-N 3.15Å; S1775-P1787 PolarHBondContact OG-O 3.27Å |
| 1788 | T | 26.9 | Very low | 29.5 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 67% | 0.669 | 72% | 0.716 | S | S | * | * | | | trans | 111.3 | 148.1 | 151.8 | 72.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1789 | T | 27.5 | Very low | 29.8 | Very low | 127 Ų | 127 | 137.7 Ų | 137.7 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | | | trans | 76.5 | 144.3 | 167.4 | 78 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1790 | R | 29.4 | Very low | 29.4 | Very low | 215 Ų | 215 | 139.1 Ų | 139.1 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | | | cis | -137.4 | 136.4 | 22.4 | -84.6 | -174.6 | 155.3 | -163.7 | -5.2 | 116.6 | | |
| 1791 | I | 29.8 | Very low | 29.4 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 65% | 0.646 | 71% | 0.706 | S | S | * | * | | | | 50.2 | 119.9 | 127.4 | -39.8 | 164.2 | 0 | 0 | 0 | 120.3 | | |
| 1792 | L | 30.9 | Very low | 29.3 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | | | | 172.5 | 86.8 | 114.6 | -93.3 | 178.1 | 0 | 0 | 0 | 114.9 | | |
| 1793 | R | 31.8 | Very low | 29.1 | Very low | 224 Ų | 224 | 138.2 Ų | 138.2 | 85% | 0.845 | 70% | 0.7 | S | S | * | * | | | | 172.9 | 120.4 | 127.7 | -94 | 179.7 | 169.2 | 158.7 | 0.9 | 108.1 | | |
| 1794 | Q | 31.8 | Very low | 29.1 | Very low | 141 Ų | 141 | 141 Ų | 141 | 66% | 0.659 | 71% | 0.705 | S | S | * | * | | | | 86.2 | 124.7 | 56.1 | -178.2 | 169.8 | 32.7 | 0 | 0 | 110.9 | | |
| 1795 | Q | 30.8 | Very low | 29.1 | Very low | 158 Ų | 158 | 140.7 Ų | 140.7 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | | | cis | -165 | 158.8 | -10.2 | -109.2 | 169.3 | -32.2 | 0 | 0 | 104.4 | | |
| 1796 | S | 29.7 | Very low | 29.1 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | | | cis | 159.3 | 138 | -17.7 | 55.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 1797 | I | 30.6 | Very low | 29 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | | | trans | 69.2 | 128.5 | 149.7 | -63 | 163.6 | 0 | 0 | 0 | 116.1 | | |
| 1798 | D | 31.9 | Very low | 28.7 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 69% | 0.69 | 72% | 0.715 | S | S | * | * | | | cis | -131.2 | -126.9 | 5.6 | -151.1 | 38.6 | 0 | 0 | 0 | 110.3 | | |
| 1799 | H | 31.7 | Very low | 28.8 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 61% | 0.611 | 72% | 0.721 | S | S | * | * | | | cis | -152 | 142 | -1.5 | -154.5 | 42.6 | 0 | 0 | 0 | 113.2 | | |
| 1800 | K | 28.7 | Very low | 28.9 | Very low | 145 Ų | 145 | 147.7 Ų | 147.7 | 63% | 0.63 | 72% | 0.717 | S | S | * | * | | | trans | 40.2 | 126.5 | 155.5 | -78.2 | -179.8 | -172.9 | 139.8 | 0 | 122.3 | | |
| 1801 | N | 26.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | trans | 72 | 130.5 | 130.9 | -64.3 | 8 | 0 | 0 | 0 | 121.4 | | |
| 1802 | T | 26 | Very low | 28.9 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 72% | 0.715 | S | S | * | * | | | trans | 41.2 | 129.6 | 131.1 | -36 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1803 | W | 24.1 | Very low | 28.9 | Very low | 238 Ų | 238 | 141.2 Ų | 141.2 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | | | trans | 77.6 | 169.4 | 161.5 | -108.5 | -11.5 | 0 | 0 | 0 | 118.1 | | |
| 1804 | N | 26.5 | Very low | 28.7 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | | | trans | -45.1 | 126.6 | -171.8 | -66.3 | -23.2 | 0 | 0 | 0 | 117.6 | | |
| 1805 | N | 26.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 71% | 0.705 | S | S | * | * | | | | 71.2 | 150 | 110.5 | -146.7 | 14.6 | 0 | 0 | 0 | 120.9 | | |
| 1806 | I | 26.3 | Very low | 28.4 | Very low | 112 Ų | 112 | 132.8 Ų | 132.8 | 57% | 0.574 | 71% | 0.708 | S | S | * | * | | | trans | 74.2 | 118.6 | 157.2 | -74.5 | 158.7 | 0 | 0 | 0 | 119.7 | | |
| 1807 | N | 27 | Very low | 28.4 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 72% | 0.72 | S | S | * | * | | | trans | 23.4 | 153.3 | 132.7 | -34.9 | -17.2 | 0 | 0 | 0 | 120.6 | | |
| 1808 | N | 26.8 | Very low | 28.2 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 65% | 0.652 | 71% | 0.712 | S | S | * | * | | | | 175.8 | 169 | 99.3 | -94.2 | -54.4 | 0 | 0 | 0 | 115.8 | | |
| 1809 | H | 30.3 | Very low | 27.8 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | | | trans | 118 | 135.6 | 152.9 | -62.8 | -50.2 | 0 | 0 | 0 | 114.5 | | |
| 1810 | L | 29.8 | Very low | 27.5 | Very low | 135 Ų | 135 | 135 Ų | 135 | 71% | 0.707 | 72% | 0.719 | S | S | * | * | S | Bend | cis | -147.2 | 151.7 | 2.9 | -150.8 | 67 | 0 | 0 | 0 | 105.6 | | |
| 1811 | I | 29.7 | Very low | 27.3 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | | | cis | -153.6 | 135.4 | 41.5 | -72.2 | 163.6 | 0 | 0 | 0 | 109.3 | | |
| 1812 | C | 28.5 | Very low | 27.2 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | | | trans | 19.4 | 154 | 134.3 | -43.6 | 0 | 0 | 0 | 0 | 120.7 | | |
| 1813 | V | 30.8 | Very low | 27.2 | Very low | 118 Ų | 118 | 134.9 Ų | 134.9 | 72% | 0.715 | 72% | 0.72 | S | S | * | * | | | cis | -155.1 | 131.5 | 49.1 | 166 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1814 | N | 28.3 | Very low | 27.2 | Very low | 146 Ų | 146 | 129 Ų | 129 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | | | trans | 53 | 162.8 | 153 | -68.8 | -15.3 | 0 | 0 | 0 | 123.8 | | |
| 1815 | S | 28.2 | Very low | 27.3 | Very low | 88 Ų | 88 | 128.8 Ų | 128.8 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | | | cis | 169.2 | 124.4 | -45.2 | -94.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1816 | S | 28 | Very low | 27.6 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | | | trans | 66.5 | 169.8 | 150.9 | 81.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1817 | K | 29.4 | Very low | 28.3 | Very low | 185 Ų | 185 | 127.5 Ų | 127.5 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | | | cis | -162.9 | 155.5 | 3.7 | -146.1 | 178.8 | -179.7 | -176.6 | 0 | 111.5 | | |
| 1818 | V | 25.8 | Very low | 28.5 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | | | trans | 67.3 | 124.3 | 139.7 | 139.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 1819 | D | 24 | Very low | 28.7 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 71% | 0.711 | 72% | 0.716 | S | S | * | * | | | trans | 54.8 | 166.4 | 140.3 | -49.2 | -19.4 | 0 | 0 | 0 | 125 | | |
| 1820 | T | 26.3 | Very low | 28.6 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | | | trans | 75.4 | 107.5 | 162.8 | 45.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 1821 | T | 24.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 71% | 0.714 | S | S | * | * | | | trans | 67.7 | 137.3 | 131.4 | 58.3 | 0 | 0 | 0 | 0 | 121 | | |
| 1822 | N | 25.2 | Very low | 28.6 | Very low | 130 Ų | 130 | 123.3 Ų | 123.3 | 70% | 0.695 | 71% | 0.713 | S | S | * | * | | | trans | 74.2 | 137.8 | 145.4 | -67.6 | -1.1 | 0 | 0 | 0 | 118.4 | | |
| 1823 | Q | 25 | Very low | 28.9 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 73% | 0.729 | 71% | 0.714 | S | S | * | * | | | | 44 | 126.7 | 123.9 | -56.4 | -167.7 | -89.7 | 0 | 0 | 118.1 | | |
| 1824 | D | 25.2 | Very low | 28.9 | Very low | 115 Ų | 115 | 125 Ų | 125 | 62% | 0.615 | 71% | 0.707 | S | S | * | * | | | cis | -172 | -173.6 | 9.9 | -134 | -43.4 | 0 | 0 | 0 | 113.1 | | |
| 1825 | I | 28.5 | Very low | 29 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 67% | 0.667 | 70% | 0.703 | S | S | * | * | | | trans | 72.3 | 108.4 | 139.6 | -80.9 | 164.5 | 0 | 0 | 0 | 118 | | |
| 1826 | I | 32.8 | Very low | 28.9 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 80% | 0.795 | 71% | 0.71 | S | S | * | * | | | trans | 73.1 | 121.3 | 134.1 | -64.4 | -176.7 | 0 | 0 | 0 | 117.4 | | |
| 1827 | A | 40.8 | Very low | 28.9 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 59% | 0.587 | 71% | 0.712 | S | S | * | * | | | cis | -161.6 | 162.1 | -5.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1828 | N | 32.1 | Very low | 28.9 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 72% | 0.715 | S | S | * | * | | | trans | 51.9 | 100.4 | 155.5 | -57.2 | -10.1 | 0 | 0 | 0 | 116.8 | | |
| 1829 | G | 29.1 | Very low | 29.1 | Very low | 68 Ų | 68 | 134 Ų | 134 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | cis | 91.6 | 144.4 | 7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1830 | N | 29 | Very low | 29.3 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 81% | 0.813 | 73% | 0.731 | S | S | * | * | | | trans | 69.3 | 129.6 | -175.5 | -63.7 | -36.4 | 0 | 0 | 0 | 115.4 | | |
| 1831 | S | 26.2 | Very low | 29.4 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | | | cis | 69.3 | 139.1 | 46 | 90.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1832 | I | 33.9 | Very low | 30 | Very low | 138 Ų | 138 | 144 Ų | 144 | 71% | 0.708 | 75% | 0.745 | S | S | * | * | | | cis | -149.8 | 135.6 | 41.1 | -72.4 | -179.8 | 0 | 0 | 0 | 111.6 | | |
| 1833 | N | 33.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | 57.6 | 166 | 153.9 | -70.7 | -11.7 | 0 | 0 | 0 | 121.7 | | |
| 1834 | Q | 30.8 | Very low | 30.6 | Very low | 124 Ų | 124 | 142.1 Ų | 142.1 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | | | cis | -163.3 | 159.9 | -43.8 | -116.6 | -176.6 | 76 | 0 | 0 | 107.9 | | |
| 1835 | K | 30.4 | Very low | 30.6 | Very low | 159 Ų | 159 | 142 Ų | 142 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | | | trans | 23.9 | 120.1 | 144.2 | -61.6 | 177.7 | -167.4 | 149.2 | 0 | 118.2 | | |
| 1836 | V | 26.3 | Very low | 30.7 | Very low | 126 Ų | 126 | 142 Ų | 142 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | | | | 53.9 | 102.5 | 62.6 | -174.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1837 | N | 28.3 | Very low | 30.3 | Very low | 155 Ų | 155 | 138 Ų | 138 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | | | trans | -175 | 153.8 | 130.3 | -100.7 | -34.9 | 0 | 0 | 0 | 113.5 | | |
| 1838 | N | 29.7 | Very low | 29.5 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 72% | 0.721 | S | S | * | * | | | trans | -90.1 | 126.9 | -177.4 | -65.7 | -23.6 | 0 | 0 | 0 | 112.8 | | |
| 1839 | R | 30.6 | Very low | 29.2 | Very low | 224 Ų | 224 | 143.5 Ų | 143.5 | 85% | 0.845 | 72% | 0.722 | S | S | * | * | | | trans | -148.3 | 134.8 | 150.7 | -75.8 | -172.4 | 175 | 175.1 | -3.8 | 105.6 | | |
| 1840 | L | 27.2 | Very low | 29 | Very low | 162 Ų | 162 | 146.4 Ų | 146.4 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | | | cis | 71.1 | 76.4 | 21.1 | -135.9 | 177.5 | 0 | 0 | 0 | 113.5 | | |
| 1841 | Y | 29.3 | Very low | 29.3 | Very low | 206 Ų | 206 | 144.8 Ų | 144.8 | 81% | 0.808 | 72% | 0.722 | S | S | * | * | | | trans | -149.4 | 130.9 | 152.7 | -110.8 | -82.2 | 0 | 0 | 0 | 108.2 | | |
| 1842 | F | 35.7 | Very low | 29.9 | Very low | 208 Ų | 208 | 144.4 Ų | 144.4 | 91% | 0.912 | 72% | 0.724 | S | S | * | * | | | trans | -115.3 | 105.2 | 167.7 | -117.7 | -85.1 | 0 | 0 | 0 | 107.3 | | |
| 1843 | L | 33.6 | Very low | 30.5 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 73% | 0.726 | S | S | * | * | | | trans | -156 | 134.9 | 150.7 | -137.9 | 90.3 | 0 | 0 | 0 | 104.6 | | |
| 1844 | H | 29.2 | Very low | 30.9 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 43% | 0.431 | 73% | 0.73 | S | S | . | * | | | trans | -74.8 | 153.5 | 163.9 | -146.9 | -82 | 0 | 0 | 0 | 107.4 | H1859 | H1844-H1859 AromaticContact NE2-ND1 3.74Š|
| 1845 | H | 25.3 | Very low | 31.1 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 52% | 0.519 | 73% | 0.73 | S | S | . | * | | | trans | 74.8 | 141 | 172.8 | -42 | -62.8 | 0 | 0 | 0 | 116.2 | D1847 | H1845-D1847 VanDerWaalsContact CA-N 3.27Å; H1845-D1847 HydrophobicContact CB-CB 3.78Å; H1845-D1847 VanDerWaalsContact CB-N 3.28Å; H1845-D1847 IonicContact CE1-OD1 2.67Å; H1845-D1847 PolarHBondContact CE1-OD1 2.99Å; H1845-D1847 VanDerWaalsContact CE1-OD1 3.3Å; H1845-D1847 IonicContact CE1-OD2 3.72Å; H1845-D1847 PolarHBondContact CE1-OD2 2.67Å; H1845-D1847 VanDerWaalsContact CE1-OD2 3.31Å; H1845-D1847 IonicContact CG-OD1 3.45Å; H1845-D1847 VanDerWaalsContact ND1-CB 3.26Å; H1845-D1847 WeakPolarHBondContact ND1-CB 3.5Å; H1845-D1847 IonicContact ND1-OD1 3.31Å; H1845-D1847 PolarHBondContact ND1-OD1 3.48Å; H1845-D1847 IonicContact ND1-OD2 2.81Å; H1845-D1847 PolarHBondContact ND1-OD2 2.66Å |
| 1846 | S | 31.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 91% | 0.909 | 73% | 0.731 | S | S | * | * | S | Bend | cis | 11.3 | 73.8 | -10.1 | -63.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 1847 | D | 22.8 | Very low | 31.3 | Very low | 71 Ų | 71 | 146 Ų | 146 | 38% | 0.38 | 73% | 0.728 | S | S | . | * | | | trans | -86.1 | 171.9 | 162 | -133 | 18.2 | 0 | 0 | 0 | 110.1 | H1845 R1849 | H1845-D1847 VanDerWaalsContact CA-N 3.27Å; H1845-D1847 HydrophobicContact CB-CB 3.78Å; H1845-D1847 VanDerWaalsContact CB-N 3.28Å; H1845-D1847 IonicContact CE1-OD1 2.67Å; H1845-D1847 PolarHBondContact CE1-OD1 2.99Å; H1845-D1847 VanDerWaalsContact CE1-OD1 3.3Å; H1845-D1847 IonicContact CE1-OD2 3.72Å; H1845-D1847 PolarHBondContact CE1-OD2 2.67Å; H1845-D1847 VanDerWaalsContact CE1-OD2 3.31Å; H1845-D1847 IonicContact CG-OD1 3.45Å; H1845-D1847 VanDerWaalsContact ND1-CB 3.26Å; H1845-D1847 WeakPolarHBondContact ND1-CB 3.5Å; H1845-D1847 IonicContact ND1-OD1 3.31Å; H1845-D1847 PolarHBondContact ND1-OD1 3.48Å; H1845-D1847 IonicContact ND1-OD2 2.81Å; H1845-D1847 PolarHBondContact ND1-OD2 2.66Å; D1847-R1849 PolarHBondContact O-N 2.65Å; D1847-R1849 VanDerWaalsContact O-N 3.16Å |
| 1848 | H | 25.3 | Very low | 31.4 | Very low | 116 Ų | 116 | 145 Ų | 145 | 54% | 0.537 | 72% | 0.718 | S | S | . | * | | | trans | 18.2 | 87.3 | 141.7 | -56.3 | -28.9 | 0 | 0 | 0 | 117.7 | | |
| 1849 | R | 24.3 | Very low | 31.4 | Very low | 230 Ų | 230 | 144.5 Ų | 144.5 | 87% | 0.868 | 71% | 0.71 | S | S | * | * | | | | -122.1 | 115.5 | 102.8 | -82.7 | 93.3 | -145.3 | -103.2 | 3.3 | 107.3 | D1847 | D1847-R1849 PolarHBondContact O-N 2.65Å; D1847-R1849 VanDerWaalsContact O-N 3.16Å |
| 1850 | N | 26.4 | Very low | 31.2 | Very low | 130 Ų | 130 | 142 Ų | 142 | 70% | 0.695 | 71% | 0.705 | S | S | * | * | | | | 61.6 | 129.1 | 83.5 | -81 | -2.7 | 0 | 0 | 0 | 112 | | |
| 1851 | S | 34.2 | Very low | 31.2 | Very low | 117 Ų | 117 | 140 Ų | 140 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | 56.5 | 105 | 147.3 | -51.2 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1852 | A | 39.5 | Very low | 31 | Very low | 84 Ų | 84 | 134.3 Ų | 134.3 | 69% | 0.694 | 67% | 0.673 | S | S | * | * | | | cis | -165.5 | 173 | 15.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1853 | M | 45.6 | Very low | 30.4 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 44.9 | 113.9 | 142.4 | -71.8 | 175.6 | 175.3 | 0 | 0 | 118 | | |
| 1854 | Q | 41.7 | Very low | 30 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | S | Bend | cis | -145.5 | 138.1 | 7.4 | -66.5 | 109.5 | -10 | 0 | 0 | 111.8 | | |
| 1855 | D | 35.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 129.2 Ų | 129.2 | 59% | 0.594 | 67% | 0.667 | S | S | * | * | | | cis | -157.8 | 116.6 | -20.8 | -90.2 | -42.9 | 0 | 0 | 0 | 108.7 | | |
| 1856 | N | 30.9 | Very low | 30.1 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | | | trans | 63.9 | 146.2 | 152.5 | -50.1 | -35.6 | 0 | 0 | 0 | 120.9 | | |
| 1857 | H | 29.7 | Very low | 30 | Very low | 152 Ų | 152 | 125.4 Ų | 125.4 | 70% | 0.704 | 64% | 0.643 | S | S | * | * | | | cis | -167.8 | 138.1 | -24.9 | -117 | -44.5 | 0 | 0 | 0 | 114.4 | | |
| 1858 | H | 31.9 | Very low | 30.4 | Very low | 135 Ų | 135 | 125.7 Ų | 125.7 | 63% | 0.625 | 65% | 0.65 | S | S | * | * | | | trans | 64.3 | -164.6 | 136.4 | -88.4 | -35.5 | 0 | 0 | 0 | 125.8 | | |
| 1859 | H | 29.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 122.7 Ų | 122.7 | 70% | 0.704 | 64% | 0.638 | S | S | * | * | | | trans | -142.2 | -157.6 | -131.7 | -148.9 | -113.4 | 0 | 0 | 0 | 113.7 | H1844 | H1844-H1859 AromaticContact NE2-ND1 3.74Š|
| 1860 | F | 26.5 | Very low | 31.3 | Very low | 170 Ų | 170 | 116.8 Ų | 116.8 | 75% | 0.746 | 62% | 0.619 | S | S | * | * | | | trans | -59.5 | 169.8 | -175.1 | -119 | -101.5 | 0 | 0 | 0 | 117.9 | | |
| 1861 | K | 26.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 113.1 Ų | 113.1 | 53% | 0.53 | 61% | 0.607 | S | S | . | * | | | trans | 71.2 | 145.9 | 173.5 | -109.7 | -169.1 | 170.5 | -167.6 | 0 | 116.4 | D1679 | D1679-K1861 PolarHBondContact O-NZ 3.28Š|
| 1862 | I | 25 | Very low | 31.4 | Very low | 85 Ų | 85 | 110 Ų | 110 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | | | trans | 32.2 | 125.6 | 137.6 | -64.7 | 171.6 | 0 | 0 | 0 | 116.8 | N1678 D1679 | N1678-I1862 WeakPolarHBondContact OD1-CD1 3.19Å; D1679-I1862 HydrophobicContact CB-CD1 4.25Å; D1679-I1862 WeakPolarHBondContact OD2-CD1 2.98Å |
| 1863 | N | 24.6 | Very low | 31.2 | Very low | 131 Ų | 131 | 112.7 Ų | 112.7 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | | | cis | -160.9 | 161.7 | 24.7 | -145.3 | -21.2 | 0 | 0 | 0 | 111.9 | | |
| 1864 | T | 24.8 | Very low | 30.3 | Very low | 110 Ų | 110 | 108.1 Ų | 108.1 | 68% | 0.675 | 56% | 0.564 | S | S | * | * | | | trans | 46.5 | 136.9 | 160 | 43.8 | 0 | 0 | 0 | 0 | 121 | | |
| 1865 | T | 26.7 | Very low | 29.8 | Very low | 106 Ų | 106 | 106.3 Ų | 106.3 | 65% | 0.65 | 56% | 0.559 | S | S | * | * | | | trans | 66.2 | 130.4 | 167.4 | 28.9 | 0 | 0 | 0 | 0 | 119.1 | | |
| 1866 | I | 29.4 | Very low | 29.6 | Very low | 117 Ų | 117 | 105.1 Ų | 105.1 | 60% | 0.6 | 56% | 0.556 | S | S | * | * | | | trans | 50.6 | 111.8 | 132.4 | -60.5 | 171.8 | 0 | 0 | 0 | 120 | | |
| 1867 | S | 30.6 | Very low | 29.7 | Very low | 45 Ų | 45 | 107.8 Ų | 107.8 | 32% | 0.315 | 56% | 0.556 | S | S | . | * | | | trans | 83.8 | 153.7 | 133.3 | -167.2 | 0 | 0 | 0 | 0 | 120.1 | N1330 T1331 | N1330-S1867 PolarHBondContact ND2-N 3.1Å; N1330-S1867 CarbonylContact O-C 3.16Å; N1330-S1867 WeakPolarHBondContact O-CA 3.42Å; N1330-S1867 PolarHBondContact O-N 2.94Å; T1331-S1867 VanDerWaalsContact CG2-C 3.41Å; T1331-S1867 WeakPolarHBondContact CG2-O 3.28Å |
| 1868 | S | 31.2 | Very low | 29.8 | Very low | 78 Ų | 78 | 107.3 Ų | 107.3 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | | | trans | 106.4 | 88.2 | 146.5 | -43.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1869 | D | 33 | Very low | 29.8 | Very low | 52 Ų | 52 | 109.1 Ų | 109.1 | 28% | 0.278 | 56% | 0.559 | S | S | . | * | | | trans | 47.4 | 127.7 | 131.7 | -81.9 | 20.5 | 0 | 0 | 0 | 121.5 | S1332 R1333 | S1332-D1869 WeakPolarHBondContact CB-OD1 3.19Å; S1332-D1869 WeakPolarHBondContact O-CA 3.04Å; S1332-D1869 PolarHBondContact OG-N 2.71Å; S1332-D1869 PolarHBondContact OG-OD1 2.88Å; R1333-D1869 HydrophobicContact CB-CB 4.37Å; R1333-D1869 VanDerWaalsContact CB-CG 3.49Å; R1333-D1869 VanDerWaalsContact CB-OD1 3.31Å; R1333-D1869 WeakPolarHBondContact CB-OD1 3.12Å; R1333-D1869 WeakPolarHBondContact CD-OD2 3.28Å; R1333-D1869 WeakPolarHBondContact CG-OD1 3.08Å; R1333-D1869 WeakPolarHBondContact CG-OD2 3.37Å; R1333-D1869 IonicContact CZ-OD2 3.3Å; R1333-D1869 PolarHBondContact N-OD1 3.13Å; R1333-D1869 IonicContact NE-OD2 3.29Å; R1333-D1869 IonicContact NH1-OD2 3.99Å; R1333-D1869 PolarHBondContact NH1-OD2 3.25Å |
| 1870 | K | 34.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 106 Ų | 106 | 46% | 0.461 | 55% | 0.554 | S | S | . | * | | | trans | 91.8 | 113.6 | 132.3 | -77.8 | 170.2 | 155.8 | -88.1 | 0 | 123.9 | S1332 R1333 D1335 | S1332-K1870 PolarHBondContact O-N 2.71Å; R1333-K1870 HydrophobicContact CB-CG 3.99Å; R1333-K1870 WeakPolarHBondContact O-CA 3.15Å; R1333-K1870 WeakPolarHBondContact O-CG 3.18Å; R1333-K1870 PolarHBondContact O-N 3.43Å; R1333-K1870 VanDerWaalsContact O-N 3.08Å; D1335-K1870 IonicContact OD2-NZ 3.88Å; D1335-K1870 PolarHBondContact OD2-NZ 2.73Å |
| 1871 | A | 33.6 | Very low | 30.2 | Very low | 54 Ų | 54 | 105.5 Ų | 105.5 | 45% | 0.446 | 55% | 0.553 | S | S | . | * | | | | 82.4 | 142.4 | 103.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | R1334 D1335 | R1334-A1871 WeakPolarHBondContact O-CA 3.21Å; R1334-A1871 PolarHBondContact O-N 3.23Å; D1335-A1871 HydrophobicContact CB-CB 4.03Å; D1335-A1871 WeakPolarHBondContact O-CA 3.47Å |
| 1872 | N | 30 | Very low | 30.5 | Very low | 51 Ų | 51 | 105.8 Ų | 105.8 | 27% | 0.273 | 56% | 0.557 | S | S | . | * | | | trans | 32.1 | 141.4 | 135 | -92 | -9.3 | 0 | 0 | 0 | 123.8 | D1335 S1336 V1874 | D1335-N1872 HydrophobicContact CB-CB 4.49Å; D1335-N1872 VanDerWaalsContact CB-ND2 3.32Å; D1335-N1872 WeakPolarHBondContact CB-ND2 3.23Å; D1335-N1872 PolarHBondContact O-N 2.74Å; D1335-N1872 PolarHBondContact O-OD1 2.83Å; D1335-N1872 VanDerWaalsContact O-OD1 3.11Å; S1336-N1872 WeakPolarHBondContact CA-ND2 3.34Å; S1336-N1872 WeakPolarHBondContact CB-ND2 3.09Å; S1336-N1872 WeakPolarHBondContact CB-OD1 3.49Å; S1336-N1872 PolarHBondContact N-ND2 2.76Å; S1336-N1872 PolarHBondContact N-OD1 3.17Å; S1336-N1872 PolarHBondContact OG-OD1 3.38Å; N1872-V1874 HydrophobicContact CB-CB 4.26Å; N1872-V1874 HydrophobicContact CB-CG2 4.48Å; N1872-V1874 WeakPolarHBondContact ND2-CG2 2.9Å |
| 1873 | N | 33.6 | Very low | 30.9 | Very low | 140 Ų | 140 | 105 Ų | 105 | 75% | 0.749 | 56% | 0.559 | S | S | * | * | | | | -142.8 | 140.5 | 107.8 | -79 | -66.2 | 0 | 0 | 0 | 107.9 | | |
| 1874 | V | 26.7 | Very low | 31.3 | Very low | 54 Ų | 54 | 106.2 Ų | 106.2 | 33% | 0.327 | 56% | 0.56 | S | S | . | * | | | cis | 58.4 | 102.6 | 2.7 | 175.4 | 0 | 0 | 0 | 0 | 115.6 | F1338 N1872 | F1338-V1874 HydrophobicContact CD2-CG1 4.01Å; F1338-V1874 HydrophobicContact CD2-CG2 4.25Å; F1338-V1874 HydrophobicContact CE2-CG1 3.57Å; N1872-V1874 HydrophobicContact CB-CB 4.26Å; N1872-V1874 HydrophobicContact CB-CG2 4.48Å; N1872-V1874 WeakPolarHBondContact ND2-CG2 2.9Å |
| 1875 | L | 31.2 | Very low | 31.8 | Very low | 132 Ų | 132 | 107.3 Ų | 107.3 | 69% | 0.691 | 56% | 0.56 | S | S | * | * | | | trans | 168.7 | 148.8 | 156.9 | -112.2 | 43.6 | 0 | 0 | 0 | 107.7 | | |
| 1876 | T | 31.8 | Very low | 31.9 | Very low | 86 Ų | 86 | 107.7 Ų | 107.7 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | | | cis | -162 | -171.9 | -16.8 | 14.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 1877 | R | 33.6 | Very low | 31.8 | Very low | 186 Ų | 186 | 108.5 Ų | 108.5 | 70% | 0.702 | 56% | 0.56 | S | S | * | * | | | cis | -140.2 | 138.5 | 13.1 | -104.1 | 105.2 | -153.3 | -103.1 | 5.4 | 108.2 | | |
| 1878 | K | 32.3 | Very low | 31.7 | Very low | 142 Ų | 142 | 113.5 Ų | 113.5 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | | | | 63.3 | 148.5 | 97 | -55 | -174.2 | -174.2 | -175.1 | 0 | 114.3 | | |
| 1879 | F | 30.4 | Very low | 31.5 | Very low | 173 Ų | 173 | 112.5 Ų | 112.5 | 76% | 0.759 | 57% | 0.569 | S | S | * | * | | | cis | -124.4 | -178.5 | 8.6 | -71.9 | -98.6 | 0 | 0 | 0 | 110 | | |
| 1880 | S | 31.3 | Very low | 31.2 | Very low | 86 Ų | 86 | 117 Ų | 117 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | | | cis | -150.3 | 158.4 | 12.8 | -36.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1881 | H | 33.9 | Very low | 30.7 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 74% | 0.736 | 58% | 0.583 | S | S | * | * | | | trans | 50.9 | 155.2 | 149.2 | -63.5 | -47.3 | 0 | 0 | 0 | 121.7 | | |
| 1882 | Q | 32.6 | Very low | 30.4 | Very low | 129 Ų | 129 | 119 Ų | 119 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | | | cis | -145.1 | 169.8 | -33.1 | -165.3 | 61.4 | 14.1 | 0 | 0 | 107 | K1342 | K1342-Q1882 PolarHBondContact NZ-O 2.89Š|
| 1883 | S | 33.9 | Very low | 30.3 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 48% | 0.483 | 59% | 0.593 | S | S | . | * | | | trans | 45.8 | 148.8 | 150.5 | 44.7 | 0 | 0 | 0 | 0 | 122.2 | K1342 | K1342-S1883 PolarHBondContact NZ-O 2.8Š|
| 1884 | E | 33.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 115 Ų | 115 | 73% | 0.729 | 57% | 0.57 | S | S | * | * | | | cis | -157.9 | 162.8 | -19.1 | -117.7 | 153.5 | 162.4 | 0 | 0 | 108.8 | | |
| 1885 | I | 34.3 | Very low | 30.2 | Very low | 132 Ų | 132 | 116.7 Ų | 116.7 | 68% | 0.677 | 58% | 0.577 | S | S | * | * | | | trans | 44 | 98.2 | 147.4 | -64.9 | 158.4 | 0 | 0 | 0 | 115.3 | | |
| 1886 | D | 29.4 | Very low | 30.4 | Very low | 115 Ų | 115 | 116.8 Ų | 116.8 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | | | | 63.7 | 119.5 | 84.1 | -77.4 | -63.5 | 0 | 0 | 0 | 112.1 | | |
| 1887 | H | 26.4 | Very low | 30.3 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 62% | 0.62 | 59% | 0.585 | S | S | * | * | | | | 47.2 | 120.8 | 88.9 | -75.4 | -76.3 | 0 | 0 | 0 | 112.4 | | |
| 1888 | F | 29.2 | Very low | 30.3 | Very low | 149 Ų | 149 | 114.1 Ų | 114.1 | 65% | 0.654 | 59% | 0.59 | S | S | * | * | | | | -163 | 124.8 | 97.9 | -113.8 | -121.9 | 0 | 0 | 0 | 105.9 | | |
| 1889 | S | 26.7 | Very low | 30.4 | Very low | 57 Ų | 57 | 110.8 Ų | 110.8 | 40% | 0.399 | 59% | 0.585 | S | S | . | * | | | | 86.9 | 150.6 | 87.3 | -75.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1890 | R | 25.7 | Very low | 30.3 | Very low | 146 Ų | 146 | 110.4 Ų | 110.4 | 55% | 0.551 | 59% | 0.591 | S | S | * | * | | | cis | 149.4 | 151.4 | 3.9 | -179.8 | -156.1 | -53.7 | 176.7 | -2.8 | 104 | F1407 | F1407-R1890 WeakPolarHBondContact CB-O 3.4Å; F1407-R1890 VanDerWaalsContact CD2-O 3.23Å; F1407-R1890 WeakPolarHBondContact CD2-O 3.08Å; F1407-R1890 WeakPolarHBondContact CG-O 3.49Å |
| 1891 | I | 24.7 | Very low | 30.1 | Very low | 94 Ų | 94 | 111.3 Ų | 111.3 | 48% | 0.482 | 59% | 0.589 | S | S | . | * | | | | 156.9 | 164 | 128.1 | -79.3 | 164.6 | 0 | 0 | 0 | 110.6 | F1407 D1408 | F1407-I1891 HydrophobicContact CB-CB 3.95Å; F1407-I1891 WeakPolarHBondContact O-CG2 3.03Å; D1408-I1891 WeakPolarHBondContact CB-O 3.19Å |
| 1892 | M | 27.6 | Very low | 29.8 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | | | trans | 69.2 | -168 | 171.7 | -83.9 | -75.7 | -132.5 | 0 | 0 | 117.8 | D1408 | D1408-M1892 HydrophobicContact CB-CB 3.53Å; D1408-M1892 VanDerWaalsContact O-CB 3.23Å; D1408-M1892 WeakPolarHBondContact O-CB 3.1Å; D1408-M1892 VanDerWaalsContact O-CG 3.23Å; D1408-M1892 WeakPolarHBondContact O-CG 3.23Å |
| 1893 | T | 28.3 | Very low | 29.6 | Very low | 64 Ų | 64 | 107.5 Ų | 107.5 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | | | | -125 | -101.1 | -127.5 | 47.6 | 0 | 0 | 0 | 0 | 116.9 | K1409 D1410 | K1409-T1893 PolarHBondContact NZ-O 3.08Å; D1410-T1893 PolarHBondContact N-OG1 3.1Å; D1410-T1893 VanDerWaalsContact N-OG1 3.13Å; D1410-T1893 WeakPolarHBondContact O-CB 3.36Å; D1410-T1893 PolarHBondContact O-OG1 2.83Å |
| 1894 | T | 29.9 | Very low | 29.2 | Very low | 42 Ų | 42 | 111.3 Ų | 111.3 | 26% | 0.258 | 59% | 0.586 | S | S | . | * | | | trans | -42.2 | 149.4 | -144.9 | 36.3 | 0 | 0 | 0 | 0 | 120.1 | K1409 D1410 S1411 | K1409-T1894 WeakPolarHBondContact CB-OG1 3.49Å; K1409-T1894 WeakPolarHBondContact CE-O 3.35Å; K1409-T1894 WeakPolarHBondContact CE-OG1 3.31Å; K1409-T1894 PolarHBondContact NZ-O 2.84Å; D1410-T1894 WeakPolarHBondContact OD2-CB 3.23Å; D1410-T1894 WeakPolarHBondContact OD2-CG2 3.15Å; D1410-T1894 PolarHBondContact OD2-OG1 2.96Å; S1411-T1894 VanDerWaalsContact OG-CG2 3.28Å; S1411-T1894 WeakPolarHBondContact OG-CG2 3.29Å |
| 1895 | N | 28.5 | Very low | 29.1 | Very low | 91 Ų | 91 | 110.5 Ų | 110.5 | 49% | 0.487 | 59% | 0.587 | S | S | . | * | | | cis | -151.8 | 150.4 | -35.4 | -126 | 4.2 | 0 | 0 | 0 | 109.3 | | |
| 1896 | I | 34.4 | Very low | 29 | Very low | 134 Ų | 134 | 110.2 Ų | 110.2 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | | | trans | 21.8 | 123.1 | 139.6 | -53.3 | 167.5 | 0 | 0 | 0 | 117.3 | | |
| 1897 | S | 30.3 | Very low | 29.2 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 71% | 0.706 | 59% | 0.587 | S | S | * | * | | | cis | -160.3 | 120.7 | -15.2 | 47.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1898 | S | 33 | Very low | 29.1 | Very low | 115 Ų | 115 | 109.9 Ų | 109.9 | 80% | 0.804 | 59% | 0.593 | S | S | * | * | | | trans | -26 | 164.5 | 150.1 | 55.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 1899 | S | 34.3 | Very low | 29 | Very low | 72 Ų | 72 | 111.2 Ų | 111.2 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | | | trans | 103 | 94.2 | 150.1 | -131 | 0 | 0 | 0 | 0 | 115.8 | N1903 | S1899-N1903 PolarHBondContact OG-N 3.12Š|
| 1900 | N | 28.5 | Very low | 29 | Very low | 164 Ų | 164 | 116.8 Ų | 116.8 | 88% | 0.877 | 61% | 0.606 | S | S | * | * | S | Bend | | -33.2 | 137.9 | 122.7 | -174.5 | 32.4 | 0 | 0 | 0 | 110.3 | N1902 | N1900-N1902 PolarHBondContact O-N 2.73Š|
| 1901 | N | 27.9 | Very low | 29.2 | Very low | 105 Ų | 105 | 114 Ų | 114 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -46.8 | 121.7 | -149.2 | -143.1 | 10.4 | 0 | 0 | 0 | 114.7 | | |
| 1902 | N | 27.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 120.9 Ų | 120.9 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | S | Bend | trans | 38.1 | 92.1 | 169.7 | -72.9 | -38.1 | 0 | 0 | 0 | 119.4 | N1900 | N1900-N1902 PolarHBondContact O-N 2.73Š|
| 1903 | N | 26.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 64% | 0.637 | S | S | * | * | | | trans | 69.4 | 154.9 | 152.6 | -59.1 | -57.1 | 0 | 0 | 0 | 116.2 | S1899 | S1899-N1903 PolarHBondContact OG-N 3.12Š|
| 1904 | K | 26.2 | Very low | 29.9 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 65% | 0.652 | 64% | 0.639 | S | S | * | * | | | cis | -160.3 | 166.9 | -13.6 | -117.2 | 173.3 | -174.3 | 89.1 | 0 | 106.2 | | |
| 1905 | N | 31.6 | Very low | 29.9 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 66% | 0.657 | S | S | * | * | | | trans | 70.3 | 152.8 | 171.6 | -40.8 | -48.6 | 0 | 0 | 0 | 112.2 | | |
| 1906 | N | 31.9 | Very low | 29.9 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 67% | 0.666 | S | S | * | * | | | cis | -143.3 | 149.4 | -13.7 | -121.8 | -11.6 | 0 | 0 | 0 | 108.3 | | |
| 1907 | V | 34.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 64% | 0.636 | 67% | 0.666 | S | S | * | * | | | | 41.2 | 92.6 | 102.3 | 177.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1908 | N | 24.2 | Very low | 29.5 | Very low | 138 Ų | 138 | 131.6 Ų | 131.6 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | | | | 56.3 | 146 | 70.5 | -167.3 | -17.1 | 0 | 0 | 0 | 110.4 | | |
| 1909 | R | 26.3 | Very low | 29.2 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 67% | 0.668 | 66% | 0.661 | S | S | * | * | | | trans | 74.5 | 149.5 | 177.3 | -50.5 | 178.4 | 171.5 | 162.1 | -2.5 | 112.8 | | |
| 1910 | R | 27.6 | Very low | 29.1 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | | | cis | -159.3 | 151.7 | 5.1 | -137.6 | 168.2 | -169.3 | 170.7 | -1 | 113.5 | | |
| 1911 | S | 29 | Very low | 29.2 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 61% | 0.608 | 66% | 0.659 | S | S | * | * | | | trans | 67.7 | 151.2 | 142.4 | 70 | 0 | 0 | 0 | 0 | 116.9 | | |
| 1912 | R | 40.1 | Very low | 29.4 | Very low | 238 Ų | 238 | 135.2 Ų | 135.2 | 90% | 0.898 | 67% | 0.67 | S | S | * | * | | | cis | -124.6 | 138.9 | 12.2 | -73.1 | 171.4 | 179 | 150.8 | -1.2 | 108.6 | | |
| 1913 | K | 27.9 | Very low | 29.7 | Very low | 166 Ų | 166 | 136.7 Ų | 136.7 | 72% | 0.722 | 68% | 0.683 | S | S | * | * | | | cis | 53 | 109 | 12.5 | -109.1 | -115.9 | 159.5 | -127.3 | 0 | 114.8 | | |
| 1914 | S | 28.5 | Very low | 29.8 | Very low | 61 Ų | 61 | 139.5 Ų | 139.5 | 43% | 0.427 | 70% | 0.697 | S | S | . | * | | | cis | -171.6 | -171.5 | -1.3 | 33.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1915 | D | 29 | Very low | 30 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | | | trans | 77.2 | 147 | 152.5 | -47.5 | -39.1 | 0 | 0 | 0 | 114.9 | | |
| 1916 | E | 29.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 135 Ų | 135 | 67% | 0.673 | 70% | 0.695 | S | S | * | * | | | cis | -160.3 | 153.2 | 2.8 | -132.7 | 169.4 | 167.3 | 0 | 0 | 111.8 | | |
| 1917 | Q | 26.3 | Very low | 29.2 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 69% | 0.687 | 70% | 0.696 | S | S | * | * | | | trans | 51.5 | 153 | 141.3 | -81.4 | 175.3 | 61.1 | 0 | 0 | 120.9 | | |
| 1918 | L | 29.9 | Very low | 28.7 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | | | cis | -156 | 169.1 | 24.4 | -123.3 | 148.5 | 0 | 0 | 0 | 110.2 | | |
| 1919 | N | 26.3 | Very low | 28.8 | Very low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 70% | 0.703 | S | S | * | * | | | trans | -4.5 | 147 | 164.2 | -59.5 | -2.4 | 0 | 0 | 0 | 119.1 | | |
| 1920 | D | 31 | Very low | 28.7 | Very low | 116 Ų | 116 | 133.6 Ų | 133.6 | 62% | 0.62 | 70% | 0.704 | S | S | * | * | | | | -171.3 | 151.3 | 53.7 | -152.3 | 12.9 | 0 | 0 | 0 | 115.4 | | |
| 1921 | K | 31.1 | Very low | 28.8 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 73% | 0.726 | 71% | 0.712 | S | S | * | * | | | trans | 63.5 | 151.4 | 162.4 | -65.3 | 177.9 | -179.1 | 80.1 | 0 | 121.5 | | |
| 1922 | S | 33.4 | Very low | 28.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 72% | 0.715 | S | S | * | * | | | trans | 59.4 | 120.2 | 178.1 | 54.4 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1923 | T | 32.5 | Very low | 28.3 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 82% | 0.816 | 71% | 0.705 | S | S | * | * | S | Bend | cis | -146.6 | 146 | -5.1 | 24.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 1924 | L | 30 | Very low | 28.5 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 86% | 0.864 | 71% | 0.706 | S | S | * | * | | | trans | 60.4 | 77.2 | 171 | -72 | 160.4 | 0 | 0 | 0 | 116.4 | | |
| 1925 | S | 29.2 | Very low | 28.6 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | -19.6 | 142.5 | 135.7 | 56 | 0 | 0 | 0 | 0 | 115.1 | | |
| 1926 | S | 24.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | | | | 57.3 | 147 | 54.5 | 92.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1927 | C | 23.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 136.9 Ų | 136.9 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | | | cis | -160.1 | 160.9 | -7 | -128.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1928 | N | 22.2 | Very low | 28.4 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 73% | 0.731 | S | S | * | * | | | trans | 62 | -175.7 | 177.8 | -57 | -31.3 | 0 | 0 | 0 | 115.4 | | |
| 1929 | V | 26.3 | Very low | 28.2 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | | | trans | 79.2 | 98.5 | 165 | -166.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1930 | E | 24.5 | Very low | 28.2 | Very low | 144 Ų | 144 | 136 Ų | 136 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | | | trans | 51.8 | 101.9 | 138 | -55.6 | 171.8 | 160.8 | 0 | 0 | 119.6 | | |
| 1931 | Q | 30.9 | Very low | 28.1 | Very low | 178 Ų | 178 | 135.2 Ų | 135.2 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | | | | -161.4 | 122.9 | 87 | -92.3 | 153 | 47.5 | 0 | 0 | 108.2 | | |
| 1932 | Q | 30.1 | Very low | 27.9 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | | | | 90.3 | 111.7 | 57.4 | -82.8 | -167.9 | 1 | 0 | 0 | 113.5 | | |
| 1933 | I | 28.4 | Very low | 27.6 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | | | trans | 73.4 | 131.7 | 133.6 | -61.7 | 168.2 | 0 | 0 | 0 | 117.8 | | |
| 1934 | P | 32 | Very low | 27.4 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | | | cis | -116 | 146.5 | -22 | 23 | -2.2 | 0 | 0 | 0 | 112.7 | | |
| 1935 | V | 29.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 65% | 0.648 | 67% | 0.674 | S | S | * | * | | | cis | 96.7 | 147.8 | 38.9 | 167.6 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1936 | E | 28.5 | Very low | 27.2 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | | | trans | 71.2 | 90.3 | 162.5 | -83.6 | 144.9 | -147.6 | 0 | 0 | 121.8 | | |
| 1937 | Y | 23.3 | Very low | 27.1 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 84% | 0.835 | 65% | 0.653 | S | S | * | * | | | | -36.7 | 137.5 | 107.1 | -92.2 | -106.1 | 0 | 0 | 0 | 110.8 | | |
| 1938 | P | 29.2 | Very low | 27.4 | Very low | 104 Ų | 104 | 128.6 Ų | 128.6 | 68% | 0.675 | 65% | 0.648 | S | S | * | * | | | | -154 | 151.3 | 81.9 | 38 | -19.1 | 0 | 0 | 0 | 118.4 | | |
| 1939 | V | 25 | Very low | 27.5 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | | | | 16.2 | 118.9 | 119.7 | -155.9 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1940 | Y | 27.6 | Very low | 27.6 | Very low | 196 Ų | 196 | 124.9 Ų | 124.9 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | | | | 179.6 | 138.7 | 105.7 | -101.6 | -69.1 | 0 | 0 | 0 | 114.8 | | |
| 1941 | N | 28.5 | Very low | 27.6 | Very low | 98 Ų | 98 | 127.5 Ų | 127.5 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | | | trans | 36.4 | 108.2 | 144.3 | -78.4 | 23.9 | 0 | 0 | 0 | 121.2 | D1417 | D1417-N1941 PolarHBondContact O-ND2 2.76Š|
| 1942 | N | 26.2 | Very low | 27.5 | Very low | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 61% | 0.609 | S | S | * | * | | | | -26.3 | 136.7 | 119.3 | -67.4 | -49 | 0 | 0 | 0 | 112.4 | | |
| 1943 | L | 26.8 | Very low | 27.8 | Very low | 114 Ų | 114 | 121.7 Ų | 121.7 | 60% | 0.597 | 61% | 0.613 | S | S | * | * | | | cis | -170.3 | 132.1 | 9 | -110.6 | 165.4 | 0 | 0 | 0 | 108.9 | S1585 | S1585-L1943 WeakPolarHBondContact CB-O 3.49Å; S1585-L1943 PolarHBondContact N-O 3.38Å |
| 1944 | I | 28.7 | Very low | 27.6 | Very low | 112 Ų | 112 | 117.5 Ų | 117.5 | 57% | 0.574 | 60% | 0.596 | S | S | * | * | | | trans | 58.2 | -156.6 | 147.9 | -145.8 | 168.5 | 0 | 0 | 0 | 119.4 | S1584 S1585 | S1584-I1944 CarbonylContact C-O 3.16Å; S1584-I1944 VanDerWaalsContact C-O 3.26Å; S1584-I1944 VanDerWaalsContact CA-O 3.22Å; S1584-I1944 WeakPolarHBondContact CA-O 3.5Å; S1585-I1944 PolarHBondContact N-O 2.75Å |
| 1945 | E | 24.5 | Very low | 27.5 | Very low | 56 Ų | 56 | 119.2 Ų | 119.2 | 26% | 0.262 | 60% | 0.599 | S | S | . | * | | | trans | 120.8 | -170.7 | -150 | 84.6 | -167.6 | 90.5 | 0 | 0 | 105.3 | S1584 S1585 S1586 R1947 | S1584-E1945 WeakPolarHBondContact O-CG 3.1Å; S1585-E1945 VanDerWaalsContact C-CG 3.44Å; S1585-E1945 VanDerWaalsContact N-CG 3.28Å; S1586-E1945 VanDerWaalsContact CA-OE1 3.25Å; S1586-E1945 WeakPolarHBondContact CA-OE1 3.02Å; S1586-E1945 WeakPolarHBondContact CB-O 3.39Å; S1586-E1945 VanDerWaalsContact N-CG 3.3Å; S1586-E1945 PolarHBondContact N-OE1 2.75Å; S1586-E1945 VanDerWaalsContact N-OE1 3.09Å; S1586-E1945 WeakPolarHBondContact OG-CB 3.49Å; S1586-E1945 PolarHBondContact OG-O 3.31Å; E1945-R1947 HydrophobicContact CB-CG 4.12Å; E1945-R1947 PolarHBondContact O-N 3.27Å; E1945-R1947 IonicContact OE1-CZ 3.99Å; E1945-R1947 VanDerWaalsContact OE1-CZ 3.23Å; E1945-R1947 IonicContact OE1-NE 3.85Å; E1945-R1947 PolarHBondContact OE1-NE 2.68Å; E1945-R1947 IonicContact OE1-NH2 3.44Å; E1945-R1947 PolarHBondContact OE1-NH2 3.27Å; E1945-R1947 WeakPolarHBondContact OE2-CD 3.27Å; E1945-R1947 IonicContact OE2-NE 2.72Å; E1945-R1947 PolarHBondContact OE2-NE 3.23Å |
| 1946 | L | 30.2 | Very low | 27.2 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 72% | 0.723 | 60% | 0.601 | S | S | * | * | | | | -65.4 | 121.9 | -115.2 | -64.9 | 167.5 | 0 | 0 | 0 | 112.7 | I1589 | I1589-L1946 HydrophobicContact CD1-CD2 3.98Å; I1589-L1946 HydrophobicContact CG1-CD2 4.42Å |
| 1947 | R | 23.3 | Very low | 27.4 | Very low | 54 Ų | 54 | 115.6 Ų | 115.6 | 20% | 0.204 | 60% | 0.598 | C | S | . | * | | | | 66.2 | 93.1 | 60.1 | -72 | -156.6 | -179.1 | -91.9 | -22.8 | 111.7 | S1586 P1587 P1588 I1589 E1945 | S1586-R1947 WeakPolarHBondContact OG-CG 3.4Å; S1586-R1947 PolarHBondContact OG-N 2.86Å; P1587-R1947 VanDerWaalsContact C-CZ 3.46Å; P1587-R1947 PolarHBondContact O-NH1 3.33Å; P1588-R1947 VanDerWaalsContact C-CD 3.45Å; P1588-R1947 WeakPolarHBondContact O-CD 3.42Å; P1588-R1947 PolarHBondContact O-NH1 3.34Å; I1589-R1947 HydrophobicContact CD1-CB 4.11Å; I1589-R1947 HydrophobicContact CG1-CB 3.33Å; I1589-R1947 HydrophobicContact CG1-CG 4.16Å; I1589-R1947 VanDerWaalsContact CG1-O 3.3Å; I1589-R1947 WeakPolarHBondContact CG1-O 3.41Å; E1945-R1947 HydrophobicContact CB-CG 4.12Å; E1945-R1947 PolarHBondContact O-N 3.27Å; E1945-R1947 IonicContact OE1-CZ 3.99Å; E1945-R1947 VanDerWaalsContact OE1-CZ 3.23Å; E1945-R1947 IonicContact OE1-NE 3.85Å; E1945-R1947 PolarHBondContact OE1-NE 2.68Å; E1945-R1947 IonicContact OE1-NH2 3.44Å; E1945-R1947 PolarHBondContact OE1-NH2 3.27Å; E1945-R1947 WeakPolarHBondContact OE2-CD 3.27Å; E1945-R1947 IonicContact OE2-NE 2.72Å; E1945-R1947 PolarHBondContact OE2-NE 3.23Å |
| 1948 | E | 30.8 | Very low | 27.4 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | | | trans | 170.5 | 138.5 | 150 | -102.1 | 161.5 | -171.2 | 0 | 0 | 106 | I1589 P1590 | I1589-E1948 HydrophobicContact CB-CG 4.19Å; I1589-E1948 HydrophobicContact CD1-CG 4.34Å; I1589-E1948 WeakPolarHBondContact CD1-OE1 3.35Å; I1589-E1948 HydrophobicContact CG1-CG 4.02Å; P1590-E1948 WeakPolarHBondContact CB-OE1 3.42Å; P1590-E1948 HydrophobicContact CG-CG 4.49Å |
| 1949 | N | 22.5 | Very low | 27.5 | Very low | 95 Ų | 95 | 109.9 Ų | 109.9 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | | | cis | 55.1 | 104.2 | 32.9 | -82.4 | -4.1 | 0 | 0 | 0 | 112.3 | P1588 I1589 | P1588-N1949 HydrophobicContact CB-CB 4.12Å; I1589-N1949 PolarHBondContact O-ND2 3.09Å; I1589-N1949 VanDerWaalsContact O-ND2 3.13Å |
| 1950 | V | 29.1 | Very low | 27.4 | Very low | 98 Ų | 98 | 109.8 Ų | 109.8 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | | | cis | -145 | 129.1 | 27.3 | 178.4 | 0 | 0 | 0 | 0 | 107 | | |
| 1951 | R | 25.7 | Very low | 27.2 | Very low | 199 Ų | 199 | 108 Ų | 108 | 75% | 0.751 | 60% | 0.6 | S | S | * | * | | | | 36.2 | 151.5 | 106.5 | -77.9 | -175.3 | -179 | -138.8 | -0.5 | 115.8 | S1532 | S1532-R1951 WeakPolarHBondContact CB-O 3.48Š|
| 1952 | P | 27.3 | Very low | 26.9 | Very low | 53 Ų | 53 | 109.7 Ų | 109.7 | 34% | 0.344 | 61% | 0.608 | S | S | . | * | | | cis | -127.4 | -159.1 | 17.1 | 28.4 | -1.6 | 0 | 0 | 0 | 109.7 | Q1533 | Q1533-P1952 WeakPolarHBondContact O-CG 3.46Š|
| 1953 | L | 36.1 | Very low | 28 | Very low | 145 Ų | 145 | 108.5 Ų | 108.5 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | | | cis | -115.2 | 143 | -14.1 | -67 | 74.5 | 0 | 0 | 0 | 105.6 | | |
| 1954 | S | 24.8 | Very low | 28 | Very low | 47 Ų | 47 | 113.1 Ų | 113.1 | 33% | 0.329 | 62% | 0.617 | S | S | . | * | | | cis | 61.4 | 70.2 | 34.9 | 82.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1955 | N | 30.7 | Very low | 27.8 | Very low | 153 Ų | 153 | 114.2 Ų | 114.2 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | | | | -148.5 | 131.6 | 93.5 | -77.9 | -32.7 | 0 | 0 | 0 | 108.2 | | |
| 1956 | D | 23.3 | Very low | 27.8 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 68% | 0.684 | 63% | 0.631 | S | S | * | * | | | cis | 71.2 | 127.7 | 41.2 | -62.5 | -63.1 | 0 | 0 | 0 | 113.7 | V1958 | D1956-V1958 HydrophobicContact CB-CG2 4.39Š|
| 1957 | G | 32.8 | Very low | 27.6 | Very low | 71 Ų | 71 | 114.9 Ų | 114.9 | 73% | 0.732 | 62% | 0.623 | S | S | * | * | | | trans | 138.3 | 46.1 | -156.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1958 | V | 22.9 | Very low | 27.6 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 81% | 0.806 | 64% | 0.637 | S | S | * | * | | | | 58.2 | 109.1 | 67.4 | 174.6 | 0 | 0 | 0 | 0 | 110.5 | D1956 | D1956-V1958 HydrophobicContact CB-CG2 4.39Š|
| 1959 | G | 31.2 | Very low | 27.4 | Very low | 64 Ų | 64 | 117.6 Ų | 117.6 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | | | trans | 137.9 | 44.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 1960 | S | 23 | Very low | 28 | Very low | 91 Ų | 91 | 117.9 Ų | 117.9 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | | | | 59.6 | 141.2 | 75.7 | 84.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 1961 | M | 22.6 | Very low | 27.8 | Very low | 158 Ų | 158 | 117.5 Ų | 117.5 | 78% | 0.778 | 66% | 0.659 | S | S | * | * | | | trans | 52 | 111 | 145 | -78.9 | 160.5 | 42.5 | 0 | 0 | 116.3 | | |
| 1962 | L | 23.4 | Very low | 27.9 | Very low | 135 Ų | 135 | 115 Ų | 115 | 71% | 0.707 | 66% | 0.659 | S | S | * | * | | | cis | -153.5 | -170.2 | 39.1 | -80.3 | 119 | 0 | 0 | 0 | 108.2 | | |
| 1963 | T | 47.7 | Very low | 27.9 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 68% | 0.675 | 68% | 0.678 | S | S | * | * | | | cis | 56.8 | 133.7 | 41.8 | -7.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1964 | Y | 28.3 | Very low | 27.6 | Very low | 212 Ų | 212 | 116.9 Ų | 116.9 | 83% | 0.831 | 67% | 0.674 | S | S | * | * | | | trans | 61.7 | 153.6 | -175.8 | -69.7 | -83.5 | 0 | 0 | 0 | 117.4 | | |
| 1965 | D | 23.4 | Very low | 28 | Very low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | | | trans | 63.5 | 132.6 | 158.2 | -81.3 | -5.3 | 0 | 0 | 0 | 121.1 | | |
| 1966 | L | 24.9 | Very low | 28.2 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 40% | 0.403 | 68% | 0.684 | S | S | . | * | | | | 46.7 | 96.3 | 128.9 | -47.8 | -176.7 | 0 | 0 | 0 | 120.5 | S1615 N1616 | S1615-L1966 VanDerWaalsContact C-CD2 3.45Å; N1616-L1966 VanDerWaalsContact C-CD2 3.42Å; N1616-L1966 WeakPolarHBondContact O-CD2 3.4Å |
| 1967 | K | 25.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | | | | 70.1 | 142.4 | 106.9 | -158.5 | 175.7 | -169.4 | 168.9 | 0 | 121.4 | S1615 | S1615-K1967 WeakPolarHBondContact O-CD 3.38Å; S1615-K1967 PolarHBondContact O-NZ 3.09Å; S1615-K1967 PolarHBondContact OG-NZ 2.84Å |
| 1968 | S | 23.4 | Very low | 29 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 49% | 0.49 | 68% | 0.68 | S | S | . | * | | | trans | 71.2 | 100.4 | 154.5 | 43.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 1969 | I | 28 | Very low | 29.5 | Very low | 165 Ų | 165 | 117.9 Ų | 117.9 | 85% | 0.846 | 68% | 0.675 | S | S | * | * | | | trans | 58.2 | 175.5 | 146.2 | 26 | 174.2 | 0 | 0 | 0 | 117.2 | | |
| 1970 | P | 34.1 | Very low | 29.4 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 66% | 0.656 | 68% | 0.68 | S | S | * | * | | | cis | -130.5 | -166.7 | -21.1 | 25.5 | -2.1 | 0 | 0 | 0 | 113.5 | | |
| 1971 | S | 25.7 | Very low | 29.4 | Very low | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | | | | 81.7 | 150.6 | 129.7 | 56.6 | 0 | 0 | 0 | 0 | 122.6 | | |
| 1972 | L | 26.5 | Very low | 30.1 | Very low | 145 Ų | 145 | 117 Ų | 117 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | | | cis | -172 | 166.5 | -19.4 | -104.7 | 170.9 | 0 | 0 | 0 | 108.7 | | |
| 1973 | L | 28.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 114.6 Ų | 114.6 | 75% | 0.749 | 67% | 0.668 | S | S | * | * | | | trans | 64.7 | 179.3 | 144.5 | -78.6 | 166 | 0 | 0 | 0 | 116.3 | | |
| 1974 | S | 29.1 | Very low | 29.1 | Very low | 95 Ų | 95 | 113.9 Ų | 113.9 | 66% | 0.664 | 66% | 0.659 | S | S | * | * | | | cis | -142.6 | -174.8 | 6.3 | -138.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1975 | S | 33.7 | Very low | 29 | Very low | 93 Ų | 93 | 106.6 Ų | 106.6 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | | | cis | -169.1 | 168.8 | 11.1 | 25.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1976 | V | 35.7 | Very low | 29.2 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 70% | 0.703 | 62% | 0.62 | S | S | * | * | | | | -167.5 | 115.4 | 126.2 | 140.3 | 0 | 0 | 0 | 0 | 109.7 | T1978 | V1976-T1978 HydrophobicContact CG2-CG2 3.95Š|
| 1977 | I | 31.7 | Very low | 29.7 | Very low | 161 Ų | 161 | 106.1 Ų | 106.1 | 83% | 0.826 | 64% | 0.635 | S | S | * | * | | | trans | -174.7 | 100 | 130.7 | -64 | -152.1 | 0 | 0 | 0 | 102.2 | | |
| 1978 | T | 39.6 | Very low | 30.2 | Very low | 84 Ų | 84 | 104.2 Ų | 104.2 | 52% | 0.515 | 64% | 0.638 | S | S | . | * | | | cis | 67.4 | 137.4 | 23.3 | 76.3 | 0 | 0 | 0 | 0 | 114.3 | V1976 | V1976-T1978 HydrophobicContact CG2-CG2 3.95Š|
| 1979 | S | 34.8 | Very low | 30.8 | Very low | 100 Ų | 100 | 107.5 Ų | 107.5 | 70% | 0.699 | 65% | 0.65 | S | S | * | * | | | cis | -177 | 161 | 2 | 31.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1980 | I | 27.6 | Very low | 31.4 | Very low | 148 Ų | 148 | 107.6 Ų | 107.6 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | | | cis | -170.5 | 141.7 | -16 | -103.7 | 161.3 | 0 | 0 | 0 | 107 | | |
| 1981 | S | 24.4 | Very low | 31.1 | Very low | 66 Ų | 66 | 107.9 Ų | 107.9 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | | | | -148.7 | 131.2 | 124.6 | -24.5 | 0 | 0 | 0 | 0 | 111.4 | P1985 | S1981-P1985 CarbonylContact C-O 3.23Å; S1981-P1985 WeakPolarHBondContact CA-O 3.23Å; S1981-P1985 WeakPolarHBondContact CB-O 3.03Å; S1981-P1985 PolarHBondContact N-O 2.82Å; S1981-P1985 PolarHBondContact OG-O 2.8Å; S1981-P1985 VanDerWaalsContact OG-O 3.07Å |
| 1982 | G | 37.2 | Very low | 31.2 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -72.2 | -59.5 | -159.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L1984 | G1982-L1984 PolarHBondContact O-N 3.16Š|
| 1983 | S | 22.3 | Very low | 31.1 | Very low | 83 Ų | 83 | 103.1 Ų | 103.1 | 58% | 0.58 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -74.4 | 123.8 | 158.8 | 63.5 | 0 | 0 | 0 | 0 | 107 | R1551 P1985 | R1551-S1983 VanDerWaalsContact NH2-C 3.31Å; R1551-S1983 PolarHBondContact NH2-O 2.84Å; R1551-S1983 PolarHBondContact NH2-OG 3.08Å; S1983-P1985 WeakPolarHBondContact O-CD 2.97Å |
| 1984 | L | 27.7 | Very low | 31 | Very low | 95 Ų | 95 | 100.3 Ų | 100.3 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -42.5 | 99.5 | -172.2 | -158.6 | 165.9 | 0 | 0 | 0 | 111.1 | R1551 G1982 | R1551-L1984 PolarHBondContact NH1-O 3.45Å; R1551-L1984 PolarHBondContact NH2-O 3.44Å; G1982-L1984 PolarHBondContact O-N 3.16Å |
| 1985 | P | 25.9 | Very low | 30.9 | Very low | 59 Ų | 59 | 102.8 Ų | 102.8 | 38% | 0.383 | 62% | 0.623 | S | S | . | * | | | | -95.8 | 124.1 | 73 | 26.9 | -34.3 | 0 | 0 | 0 | 114.5 | S1981 S1983 | S1981-P1985 CarbonylContact C-O 3.23Å; S1981-P1985 WeakPolarHBondContact CA-O 3.23Å; S1981-P1985 WeakPolarHBondContact CB-O 3.03Å; S1981-P1985 PolarHBondContact N-O 2.82Å; S1981-P1985 PolarHBondContact OG-O 2.8Å; S1981-P1985 VanDerWaalsContact OG-O 3.07Å; S1983-P1985 WeakPolarHBondContact O-CD 2.97Å |
| 1986 | S | 28.1 | Very low | 30.5 | Very low | 50 Ų | 50 | 105.8 Ų | 105.8 | 35% | 0.35 | 63% | 0.627 | S | S | . | * | | | cis | 178.2 | -158.1 | 3.3 | 41.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 1987 | E | 33.9 | Very low | 30.1 | Very low | 153 Ų | 153 | 105.7 Ų | 105.7 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | | | | 28.5 | 112.8 | 128.3 | -69.6 | 117.5 | -134 | 0 | 0 | 117.1 | | |
| 1988 | S | 36.2 | Very low | 29.7 | Very low | 90 Ų | 90 | 102.6 Ų | 102.6 | 63% | 0.629 | 62% | 0.615 | S | S | * | * | | | | 70.7 | 145.5 | 72.9 | 85.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 1989 | L | 35.7 | Very low | 29.3 | Very low | 139 Ų | 139 | 106.3 Ų | 106.3 | 73% | 0.728 | 63% | 0.63 | S | S | * | * | S | Bend | | 27.4 | 123.2 | 126 | -59.9 | 166.2 | 0 | 0 | 0 | 117.8 | | |
| 1990 | L | 41.4 | Very low | 28.8 | Very low | 166 Ų | 166 | 107.7 Ų | 107.7 | 87% | 0.869 | 63% | 0.63 | S | S | * | * | | | trans | 64.7 | 63.5 | 135.3 | -54.9 | 172.7 | 0 | 0 | 0 | 115.8 | | |
| 1991 | S | 27.2 | Very low | 28.8 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 75% | 0.748 | 63% | 0.63 | S | S | * | * | | | trans | -146.3 | 136.3 | 163.9 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1992 | S | 27 | Very low | 28.9 | Very low | 65 Ų | 65 | 111.4 Ų | 111.4 | 46% | 0.455 | 64% | 0.641 | S | S | . | * | | | cis | -164.9 | 159.5 | -8.2 | -89.4 | 0 | 0 | 0 | 0 | 109.7 | E1514 | E1514-S1992 WeakPolarHBondContact OE1-CA 3.48Å; E1514-S1992 WeakPolarHBondContact OE1-CB 3.13Å; E1514-S1992 PolarHBondContact OE1-OG 3.5Å; E1514-S1992 WeakPolarHBondContact OE2-CA 3.42Å |
| 1993 | Q | 25.2 | Very low | 28.7 | Very low | 71 Ų | 71 | 115 Ų | 115 | 33% | 0.332 | 64% | 0.64 | S | S | . | * | | | trans | 63.1 | 105.6 | 149.8 | -103.2 | 144 | 97.7 | 0 | 0 | 117.2 | E1514 | E1514-Q1993 VanDerWaalsContact OE1-CA 3.29Å; E1514-Q1993 WeakPolarHBondContact OE1-CA 3.17Å; E1514-Q1993 WeakPolarHBondContact OE1-CB 3.34Å; E1514-Q1993 WeakPolarHBondContact OE1-CG 3.39Å; E1514-Q1993 PolarHBondContact OE1-N 3.04Å; E1514-Q1993 PolarHBondContact OE1-NE2 2.8Å; E1514-Q1993 PolarHBondContact OE2-N 2.72Å |
| 1994 | S | 25.7 | Very low | 29.1 | Very low | 84 Ų | 84 | 113.6 Ų | 113.6 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | | | | 86.1 | 148.3 | 90.6 | 78.7 | 0 | 0 | 0 | 0 | 114 | | |
| 1995 | L | 27.1 | Very low | 29 | Very low | 147 Ų | 147 | 118.2 Ų | 118.2 | 77% | 0.77 | 65% | 0.652 | S | S | * | * | | | cis | -99.1 | 150.2 | 9 | -88.2 | 76.3 | 0 | 0 | 0 | 111.8 | | |
| 1996 | H | 26.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 123.2 Ų | 123.2 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | | | | 64.3 | 129 | 58.3 | -134.2 | -131.9 | 0 | 0 | 0 | 109.7 | | |
| 1997 | V | 26.4 | Very low | 29.2 | Very low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.685 | 68% | 0.679 | S | S | * | * | | | cis | -133.9 | 135.8 | 28.3 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1998 | T | 24.2 | Very low | 29 | Very low | 97 Ų | 97 | 126 Ų | 126 | 60% | 0.595 | 68% | 0.677 | S | S | * | * | | | | 10.7 | 155.1 | 126.9 | 8.1 | 0 | 0 | 0 | 0 | 118.8 | | |
| 1999 | I | 30.5 | Very low | 28.5 | Very low | 161 Ų | 161 | 128.8 Ų | 128.8 | 83% | 0.826 | 68% | 0.68 | S | S | * | * | | | cis | -120 | 156.8 | 48.3 | -68.4 | 162.5 | 0 | 0 | 0 | 111.9 | | |
| 2000 | N | 24.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 70% | 0.695 | 68% | 0.678 | S | S | * | * | | | trans | -103.6 | -151 | -175.5 | -157.6 | 47 | 0 | 0 | 0 | 110.1 | | |
| 2001 | E | 27 | Very low | 27.2 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 77% | 0.771 | 66% | 0.663 | S | S | * | * | | | trans | 76.5 | 129.9 | 170.5 | -58.6 | 170.3 | -145 | 0 | 0 | 116.1 | | |
| 2002 | D | 27.2 | Very low | 27.2 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 68% | 0.679 | 66% | 0.662 | S | S | * | * | | | cis | -156 | 154.1 | -23 | -130.9 | -5.7 | 0 | 0 | 0 | 110.3 | | |
| 2003 | N | 33.8 | Very low | 27.3 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 83% | 0.829 | 68% | 0.675 | S | S | * | * | | | trans | -124.7 | 85.8 | 167.3 | -144.8 | -6.5 | 0 | 0 | 0 | 109.2 | Y2005 | N2003-Y2005 PolarHBondContact O-N 3.45Š|
| 2004 | G | 29.3 | Very low | 27.5 | Very low | 54 Ų | 54 | 132.1 Ų | 132.1 | 56% | 0.557 | 70% | 0.695 | S | S | * | * | | | trans | -74.6 | 117.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 2005 | Y | 26.3 | Very low | 27.7 | Very low | 192 Ų | 192 | 134 Ų | 134 | 75% | 0.753 | 70% | 0.703 | S | S | * | * | | | | 35.2 | 116.3 | 118 | -66.6 | -75.8 | 0 | 0 | 0 | 118.2 | N2003 | N2003-Y2005 PolarHBondContact O-N 3.45Š|
| 2006 | Q | 29.2 | Very low | 27.5 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 77% | 0.766 | 70% | 0.695 | S | S | * | * | | | | -175 | 117.3 | 94.3 | -90.1 | -122.2 | -21.7 | 0 | 0 | 116.3 | | |
| 2007 | H | 28.8 | Very low | 27.5 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 55% | 0.551 | 70% | 0.697 | S | S | * | * | | | | 64.6 | 142.1 | 118.9 | -80.2 | -108.9 | 0 | 0 | 0 | 124.9 | | |
| 2008 | H | 29.7 | Very low | 27.5 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | | | trans | 79.2 | 95.7 | 141.1 | -71.1 | -42.3 | 0 | 0 | 0 | 123.2 | | |
| 2009 | H | 25 | Very low | 27.5 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | | | | 53.4 | 125 | 95.2 | -82.5 | -119.7 | 0 | 0 | 0 | 120.4 | | |
| 2010 | L | 24.7 | Very low | 27.2 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 70% | 0.702 | 69% | 0.686 | S | S | * | * | | | trans | 64.2 | 155.4 | 131.4 | -84.7 | 56.7 | 0 | 0 | 0 | 118 | | |
| 2011 | N | 26 | Very low | 27.2 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 55% | 0.545 | 69% | 0.689 | S | S | . | * | | | cis | -151.4 | 163.3 | 18.5 | -138.5 | -16.6 | 0 | 0 | 0 | 113.3 | | |
| 2012 | Q | 27.4 | Very low | 27.5 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 69% | 0.685 | S | S | * | * | | | trans | 48 | 133 | 147.5 | -74.1 | 145.8 | 0.7 | 0 | 0 | 119.3 | | |
| 2013 | S | 28.8 | Very low | 27.2 | Very low | 104 Ų | 104 | 130.5 Ų | 130.5 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | | | cis | -166.9 | 162.9 | 17.5 | 49.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 2014 | T | 29.3 | Very low | 26.6 | Very low | 123 Ų | 123 | 131 Ų | 131 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | | | cis | -166 | 155.1 | -20.1 | 23.4 | 0 | 0 | 0 | 0 | 105.1 | | |
| 2015 | T | 29.1 | Very low | 26.5 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | cis | -138.8 | 161.3 | 4 | 9.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 2016 | A | 23.5 | Very low | 26.3 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | | | cis | 63.7 | 77.5 | 26.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 2017 | N | 27.3 | Very low | 26.2 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 67% | 0.67 | S | S | * | * | | | | -170.7 | 130.3 | 101.6 | -93.6 | -20.1 | 0 | 0 | 0 | 116.5 | | |
| 2018 | Y | 26.1 | Very low | 26.2 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 62% | 0.624 | 67% | 0.666 | S | S | * | * | | | | 34.4 | 115.8 | 128 | -78.6 | -104.8 | 0 | 0 | 0 | 119.7 | | |
| 2019 | V | 24.6 | Very low | 26.1 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 61% | 0.606 | 67% | 0.667 | S | S | * | * | | | | 93.2 | 131.3 | 58.1 | 159.9 | 0 | 0 | 0 | 0 | 113 | | |
| 2020 | N | 24.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 63% | 0.626 | 66% | 0.663 | S | S | * | * | | | trans | 67.4 | 119.4 | 161.2 | -69.5 | -4.3 | 0 | 0 | 0 | 119 | | |
| 2021 | L | 24.5 | Very low | 26.1 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 76% | 0.764 | 67% | 0.666 | S | S | * | * | | | | 83.4 | 155.3 | 76.8 | -71.8 | 174.9 | 0 | 0 | 0 | 111.8 | | |
| 2022 | P | 33.2 | Very low | 26 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 70% | 0.695 | 67% | 0.672 | S | S | * | * | | | | -132.3 | 173.5 | -51.5 | 37.1 | -22.4 | 0 | 0 | 0 | 111.3 | | |
| 2023 | M | 20.5 | Very low | 25.9 | Very low | 176 Ų | 176 | 122.1 Ų | 122.1 | 87% | 0.867 | 67% | 0.674 | S | S | * | * | | | trans | -176.5 | 171.5 | 138.9 | -106.1 | 177.8 | 67.6 | 0 | 0 | 115.4 | | |
| 2024 | F | 21.9 | Very low | 25.7 | Very low | 166 Ų | 166 | 123 Ų | 123 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | | | trans | -47.5 | 154.1 | -173 | -83.9 | -103.7 | 0 | 0 | 0 | 120.4 | | |
| 2025 | W | 25.5 | Very low | 25.4 | Very low | 142 Ų | 142 | 122.8 Ų | 122.8 | 54% | 0.538 | 68% | 0.676 | S | S | . | * | | | trans | 15.7 | 136.6 | 138.9 | -68 | 6.6 | 0 | 0 | 0 | 119 | M62 P64 | M62-W2025 HydrophobicContact CB-CZ2 4.23Å; M62-W2025 HydrophobicContact CE-CH2 3.5Å; M62-W2025 HydrophobicContact CE-CZ2 3.43Å; M62-W2025 VanDerWaalsContact CE-CZ2 3.43Å; M62-W2025 HydrophobicContact SD-CH2 4.38Å; M62-W2025 HydrophobicContact SD-CZ2 3.69Å; P64-W2025 HydrophobicContact CB-CH2 4.49Å; P64-W2025 HydrophobicContact CG-CH2 4.3Å; P64-W2025 HydrophobicContact CG-CZ2 4.4Å |
| 2026 | S | 23.2 | Very low | 25.5 | Very low | 74 Ų | 74 | 122.7 Ų | 122.7 | 52% | 0.517 | 68% | 0.677 | S | S | . | * | | | | -174.8 | 163 | 81.3 | -72.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 2027 | N | 26.6 | Very low | 25.4 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 60% | 0.604 | 68% | 0.684 | S | S | * | * | | | trans | 61.8 | 98.2 | 147.5 | -66.2 | -17.2 | 0 | 0 | 0 | 121.9 | | |
| 2028 | H | 28.5 | Very low | 25.2 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 48% | 0.477 | 68% | 0.683 | S | S | . | * | | | | 33.1 | 128.3 | 111.8 | -68.4 | -75.5 | 0 | 0 | 0 | 119.7 | | |
| 2029 | H | 27.3 | Very low | 25.1 | Very low | 148 Ų | 148 | 122.2 Ų | 122.2 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | | | | -144.9 | 153 | 103.3 | -126.2 | -118.3 | 0 | 0 | 0 | 111.4 | K68 | K68-H2029 PolarHBondContact NZ-CE1 3Å; K68-H2029 VanDerWaalsContact NZ-CE1 3.26Å; K68-H2029 PolarHBondContact NZ-NE2 3.35Å |
| 2030 | S | 25.9 | Very low | 25.1 | Very low | 86 Ų | 86 | 125.5 Ų | 125.5 | 60% | 0.601 | 70% | 0.696 | S | S | * | * | | | trans | -127.7 | 140.8 | -177.4 | -50.2 | 0 | 0 | 0 | 0 | 110 | | |
| 2031 | T | 24.3 | Very low | 25.1 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | | | trans | -157.5 | 107.8 | 162.3 | -6.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 2032 | T | 24.8 | Very low | 25.1 | Very low | 112 Ų | 112 | 128 Ų | 128 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | | | trans | 58.3 | 104.6 | 132.3 | 54.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 2033 | T | 23.6 | Very low | 24.7 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | | | | 60.4 | 137.3 | 124.2 | 41.3 | 0 | 0 | 0 | 0 | 120.9 | | |
| 2034 | P | 24.7 | Very low | 25 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 70% | 0.698 | S | S | * | * | | | | -135.3 | 155.7 | 72.9 | 39.4 | -25.8 | 0 | 0 | 0 | 119.3 | | |
| 2035 | T | 24 | Very low | 25.1 | Very low | 119 Ų | 119 | 123.5 Ų | 123.5 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | | | trans | -46.3 | 177.5 | 148.7 | 36.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 2036 | P | 31.3 | Very low | 25.1 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | | | cis | -134.9 | -164.4 | -10.4 | 28.7 | -4.4 | 0 | 0 | 0 | 114.2 | | |
| 2037 | S | 20.9 | Very low | 25.2 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | trans | -58.6 | 150.7 | 172.9 | -39.2 | 0 | 0 | 0 | 0 | 117.6 | | |
| 2038 | S | 23.3 | Very low | 25.1 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | | | | 119.7 | 151.4 | 121.6 | 80.9 | 0 | 0 | 0 | 0 | 120.2 | | |
| 2039 | M | 24.1 | Very low | 25 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 72.8 | 98.3 | 158.6 | -61.9 | -64.8 | 175.7 | 0 | 0 | 121.3 | | |
| 2040 | F | 24.3 | Very low | 25 | Very low | 169 Ų | 169 | 133.1 Ų | 133.1 | 74% | 0.741 | 76% | 0.759 | S | S | * | * | | | | 51.9 | 102.6 | 122.4 | -86 | -91.2 | 0 | 0 | 0 | 120.5 | | |
| 2041 | S | 24.3 | Very low | 25.2 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | | | | 156 | 160.7 | 93.9 | -72.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 2042 | R | 26 | Very low | 25.4 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | | | cis | 160.1 | 130.1 | -25.6 | -152.4 | -177.1 | -173.6 | -158.5 | 1.1 | 104.9 | | |
| 2043 | S | 24.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | 63 | 156.3 | 161.8 | 27.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 2044 | S | 25.8 | Very low | 25.8 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | cis | -162.9 | 150.6 | -5.1 | 33.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 2045 | T | 24.6 | Very low | 26.1 | Very low | 146 Ų | 146 | 135.4 Ų | 135.4 | 90% | 0.896 | 75% | 0.754 | S | S | * | * | | | trans | -95.8 | 113.4 | 166.3 | 36.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 2046 | S | 25.9 | Very low | 26.3 | Very low | 98 Ų | 98 | 135.6 Ų | 135.6 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | | | trans | -168.2 | 101 | 159.3 | 58.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 2047 | C | 24.4 | Very low | 26.1 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 84% | 0.838 | 75% | 0.752 | S | S | * | * | | | trans | 59.4 | 164.4 | 146.9 | -50.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 2048 | Q | 25.2 | Very low | 26.5 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | cis | -159.7 | 134.9 | 18.2 | -162.7 | 162.8 | -48.4 | 0 | 0 | 114.6 | | |
| 2049 | R | 27 | Very low | 26.6 | Very low | 225 Ų | 225 | 135.3 Ų | 135.3 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | | | trans | 41.6 | 127.5 | 150.9 | -64.7 | -179.3 | -175.9 | -163.6 | -0.2 | 123.5 | | |
| 2050 | Q | 25.8 | Very low | 26.8 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | | -145.6 | 163.6 | 126.9 | -73.9 | -164.7 | -5.1 | 0 | 0 | 106.5 | | |
| 2051 | H | 29.6 | Very low | 26.8 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -154.9 | 173.9 | -17.1 | -123.4 | -70.4 | 0 | 0 | 0 | 105.2 | | |
| 2052 | S | 29.5 | Very low | 27.1 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | cis | -155.9 | -158.5 | 3.8 | -154 | 0 | 0 | 0 | 0 | 111.5 | | |
| 2053 | T | 29 | Very low | 27.2 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | trans | -44.3 | 143 | 170.5 | 47.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 2054 | D | 27.8 | Very low | 27.2 | Very low | 139 Ų | 139 | 133.7 Ų | 133.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | cis | -155 | -136 | -17.4 | -138.7 | -113.8 | 0 | 0 | 0 | 107.5 | | |
| 2055 | V | 30.6 | Very low | 27.5 | Very low | 114 Ų | 114 | 133 Ų | 133 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | | | cis | -153.8 | 150.8 | 3.8 | -145.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 2056 | T | 28.4 | Very low | 27.7 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | | | trans | 58.5 | 140.1 | 168.2 | 41.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 2057 | T | 28.1 | Very low | 28.3 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -165.5 | 161.2 | -23.1 | 1.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 2058 | T | 28.4 | Very low | 28.2 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | trans | 62.5 | 136.3 | 168 | 44.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 2059 | A | 26.1 | Very low | 28.2 | Very low | 83 Ų | 83 | 139.9 Ų | 139.9 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | | | cis | 72.5 | 142.7 | 48.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2060 | T | 26.8 | Very low | 28.4 | Very low | 138 Ų | 138 | 135 Ų | 135 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | | | cis | -154.2 | -178.8 | 13.1 | -23.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 2061 | T | 26 | Very low | 28.6 | Very low | 114 Ų | 114 | 134 Ų | 134 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | trans | -80.8 | 134.2 | 173.7 | 48.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 2062 | T | 30.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | 60.3 | 173.6 | 154.3 | 53.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 2063 | I | 26.7 | Very low | 29.1 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 76% | 0.764 | 76% | 0.755 | S | S | * | * | | | trans | 74.9 | 125 | -165.3 | -47.4 | 176.5 | 0 | 0 | 0 | 108.3 | | |
| 2064 | E | 25.9 | Very low | 28.9 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | | 57.1 | 167.6 | 66.8 | -92.1 | -159.2 | -130 | 0 | 0 | 113.2 | | |
| 2065 | P | 32.4 | Very low | 28.7 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 58% | 0.584 | 76% | 0.762 | S | S | * | * | | | cis | -130 | 172.3 | -47.7 | 37.5 | -23.6 | 0 | 0 | 0 | 112.7 | | |
| 2066 | R | 27.1 | Very low | 28.5 | Very low | 221 Ų | 221 | 136.9 Ų | 136.9 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | | | trans | 20.6 | 128.9 | 142.8 | -74.9 | 179.9 | 167.6 | 154.8 | -2.4 | 121.1 | | |
| 2067 | L | 39.9 | Very low | 28.3 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | | 69.4 | 102.3 | 128.8 | -62.1 | 170.2 | 0 | 0 | 0 | 119.9 | | |
| 2068 | Y | 22.3 | Very low | 28.3 | Very low | 224 Ų | 224 | 136.4 Ų | 136.4 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | | | trans | -157.8 | 155.3 | 130.4 | -86.5 | -65.7 | 0 | 0 | 0 | 105.5 | | |
| 2069 | A | 25.2 | Very low | 28.4 | Very low | 81 Ų | 81 | 138.5 Ų | 138.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | cis | -163.7 | 170.3 | 5 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 2070 | N | 30.2 | Very low | 28.5 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | | | cis | -162.5 | 140.7 | -21.9 | -94.7 | -18.2 | 0 | 0 | 0 | 107.9 | | |
| 2071 | I | 30.5 | Very low | 28.5 | Very low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 76% | 0.761 | S | S | * | * | | | trans | 44.1 | 131.3 | 140.9 | -50.7 | 177 | 0 | 0 | 0 | 120 | | |
| 2072 | M | 34.5 | Very low | 28.4 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 157.1 | 179.4 | -71.6 | 169.9 | 149.3 | 0 | 0 | 117.7 | | |
| 2073 | P | 35.2 | Very low | 28.4 | Very low | 127 Ų | 127 | 143.2 Ų | 143.2 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 151.8 | 165.1 | 30.6 | -36.2 | 0 | 0 | 0 | 112 | | |
| 2074 | S | 25.1 | Very low | 28.2 | Very low | 116 Ų | 116 | 145.7 Ų | 145.7 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 121.9 | -158.7 | -46.5 | 0 | 0 | 0 | 0 | 115.5 | | |
| 2075 | N | 23.8 | Very low | 28.1 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | | | trans | -164.3 | 141.5 | 137.7 | -115.4 | -19.4 | 0 | 0 | 0 | 113.1 | | |
| 2076 | T | 24.8 | Very low | 27.8 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | 30.8 | 122.4 | 148.3 | 57.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 2077 | T | 24.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | | | cis | -163.6 | 159 | 23.7 | -46.6 | 0 | 0 | 0 | 0 | 112 | | |
| 2078 | S | 29.1 | Very low | 27 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | | | trans | 76.8 | 139.6 | 168 | -19.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 2079 | K | 29.9 | Very low | 27 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 76% | 0.761 | 73% | 0.733 | S | S | * | * | | | | 61.7 | 136.9 | 50.6 | -71.5 | 178.9 | 170.5 | -179.7 | 0 | 112.8 | | |
| 2080 | Y | 28.8 | Very low | 27 | Very low | 183 Ų | 183 | 142.3 Ų | 142.3 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | cis | -151.7 | 134.1 | 0.3 | -113.3 | -62.1 | 0 | 0 | 0 | 105.9 | | |
| 2081 | Q | 25.2 | Very low | 26.7 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | | | | 35.3 | 144.3 | 86.4 | -122.7 | -169.1 | 22.6 | 0 | 0 | 118.5 | | |
| 2082 | S | 24.9 | Very low | 26.4 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 64% | 0.636 | 73% | 0.73 | S | S | * | * | | | trans | 73.8 | 154.9 | 169.6 | -123.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 2083 | V | 30.5 | Very low | 26.2 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | | | cis | -136.2 | 119.3 | 8.4 | -168.8 | 0 | 0 | 0 | 0 | 106.6 | | |
| 2084 | R | 23.4 | Very low | 25.8 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 76% | 0.758 | 72% | 0.72 | S | S | * | * | | | | 62.4 | 140.6 | 77.7 | -155.1 | -159.9 | -75 | 172.7 | -4.9 | 115.3 | | |
| 2085 | N | 23.6 | Very low | 25.9 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 63% | 0.631 | 72% | 0.717 | S | S | * | * | | | trans | 87 | 129.4 | 156.2 | -74.3 | -24.6 | 0 | 0 | 0 | 121.2 | | |
| 2086 | K | 25.7 | Very low | 26.3 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | | | trans | 65.7 | 166 | 142.2 | -66.8 | 179.2 | 165.3 | -158.4 | 0 | 116.8 | | |
| 2087 | Q | 23.1 | Very low | 26.6 | Very low | 131 Ų | 131 | 138.3 Ų | 138.3 | 61% | 0.612 | 71% | 0.711 | S | S | * | * | | | cis | -166.3 | 167.3 | -29.5 | -103.8 | 176.6 | -83.5 | 0 | 0 | 104.4 | | |
| 2088 | Q | 26.7 | Very low | 26.7 | Very low | 167 Ų | 167 | 141 Ų | 141 | 78% | 0.78 | 71% | 0.712 | S | S | * | * | | | trans | 67.9 | 128.7 | 166.7 | -70.7 | 147.4 | -49.6 | 0 | 0 | 113.8 | | |
| 2089 | S | 23.3 | Very low | 26.8 | Very low | 95 Ų | 95 | 142.5 Ų | 142.5 | 66% | 0.664 | 71% | 0.712 | S | S | * | * | | | cis | 79.1 | 139.6 | 47.2 | 85.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2090 | K | 24.3 | Very low | 26.7 | Very low | 186 Ų | 186 | 142 Ų | 142 | 81% | 0.809 | 71% | 0.712 | S | S | * | * | | | trans | 80.7 | 130.2 | 171.8 | -72.1 | -170 | 173 | -171.1 | 0 | 116.9 | | |
| 2091 | T | 22.8 | Very low | 26.9 | Very low | 106 Ų | 106 | 140 Ų | 140 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | | | | 26.2 | 146.7 | 124.5 | 69.7 | 0 | 0 | 0 | 0 | 118 | | |
| 2092 | D | 25.5 | Very low | 26.9 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | | | | -160.8 | -177.5 | 51.5 | -89.6 | -72.2 | 0 | 0 | 0 | 113.5 | | |
| 2093 | F | 29.2 | Very low | 27.1 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 80% | 0.803 | 71% | 0.714 | S | S | * | * | | | trans | 75 | 118.5 | 162.3 | -56.2 | -60.1 | 0 | 0 | 0 | 116.7 | | |
| 2094 | S | 27.2 | Very low | 27.1 | Very low | 90 Ų | 90 | 144.9 Ų | 144.9 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | | 78.8 | 151.3 | 50.3 | 93.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2095 | L | 28.4 | Very low | 27.5 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | | | cis | -167.7 | 174 | -1.9 | -123.9 | 167 | 0 | 0 | 0 | 107.1 | | |
| 2096 | L | 31.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | | | trans | 63.2 | 160.8 | 167.1 | -87.2 | 69.7 | 0 | 0 | 0 | 116.5 | | |
| 2097 | S | 30.4 | Very low | 27.9 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 60% | 0.601 | 70% | 0.695 | S | S | * | * | | | cis | -167 | 155.4 | -39.5 | 48.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 2098 | K | 28.1 | Very low | 28.2 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | | | trans | 12.2 | 128.9 | 140.8 | -45.3 | 172.2 | 178.5 | 178.1 | 0 | 117.4 | | |
| 2099 | N | 30.4 | Very low | 28.7 | Very low | 135 Ų | 135 | 126.7 Ų | 126.7 | 72% | 0.722 | 69% | 0.691 | S | S | * | * | | | | 178.6 | 126.9 | 94.6 | -96.1 | -27.9 | 0 | 0 | 0 | 115.1 | | |
| 2100 | H | 27.6 | Very low | 29.3 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | | | | 52.4 | 142.8 | 125.7 | -88 | -59.7 | 0 | 0 | 0 | 125 | | |
| 2101 | I | 32.4 | Very low | 29.5 | Very low | 141 Ų | 141 | 124.1 Ų | 124.1 | 72% | 0.723 | 69% | 0.694 | S | S | * | * | | | trans | 88.1 | 95.9 | 147.3 | -64.5 | 155.1 | 0 | 0 | 0 | 118.6 | | |
| 2102 | R | 26.8 | Very low | 29.8 | Very low | 207 Ų | 207 | 125.2 Ų | 125.2 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | | | | 25 | 152.1 | 128 | -46.3 | -173.8 | -178.9 | -174.2 | -1.1 | 122.7 | | |
| 2103 | H | 28.3 | Very low | 30.1 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 69% | 0.69 | 70% | 0.704 | S | S | * | * | | | trans | 100.4 | 135.2 | 141 | -72.5 | -62.4 | 0 | 0 | 0 | 119.4 | | |
| 2104 | S | 31.3 | Very low | 30.1 | Very low | 125 Ų | 125 | 122.2 Ų | 122.2 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | | | trans | 73.6 | 142.9 | 159.5 | -54.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 2105 | G | 31.1 | Very low | 30.1 | Very low | 48 Ų | 48 | 123 Ų | 123 | 50% | 0.495 | 71% | 0.708 | S | S | . | * | | | trans | -137.1 | -170.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 2106 | S | 28.7 | Very low | 30.3 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 72% | 0.718 | S | S | . | * | | | trans | 71.5 | 142.1 | 179 | 77.6 | 0 | 0 | 0 | 0 | 119.5 | D2140 | S2106-D2140 PolarHBondContact N-OD2 3.42Š|
| 2107 | G | 29.5 | Very low | 30.2 | Very low | 52 Ų | 52 | 120.1 Ų | 120.1 | 54% | 0.536 | 72% | 0.717 | S | S | . | * | | | trans | 136.3 | 115.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I2139 | G2107-I2139 WeakPolarHBondContact O-CD1 3.15Š|
| 2108 | I | 29.7 | Very low | 30.1 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | | | trans | -108.9 | -135.3 | -164.3 | -43.8 | 174.3 | 0 | 0 | 0 | 113.7 | I2139 | I2108-I2139 HydrophobicContact CD1-CG2 4.05Å; I2108-I2139 HydrophobicContact CG1-CG2 3.48Å; I2108-I2139 VanDerWaalsContact CG1-CG2 3.48Å |
| 2109 | P | 36.7 | Very low | 30.2 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | | -99.9 | -167.4 | -127.5 | 37.8 | -22 | 0 | 0 | 0 | 114.6 | | |
| 2110 | P | 35.2 | Very low | 30 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 83% | 0.831 | 73% | 0.731 | S | S | * | * | | | | -141.2 | 165.3 | 92.8 | 38.7 | -24.7 | 0 | 0 | 0 | 116.9 | | |
| 2111 | S | 29.7 | Very low | 30.2 | Very low | 99 Ų | 99 | 116.6 Ų | 116.6 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | | | trans | -96 | -165.1 | 174.8 | 39.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 2112 | V | 29.1 | Very low | 30.3 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 78% | 0.782 | 73% | 0.731 | S | S | * | * | | | cis | -158.3 | 169.7 | 16.3 | -140.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 2113 | A | 30.7 | Very low | 30.6 | Very low | 84 Ų | 84 | 110.4 Ų | 110.4 | 69% | 0.694 | 73% | 0.732 | S | S | * | * | | | trans | 72.5 | 158.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 2114 | D | 30.5 | Very low | 30.5 | Very low | 152 Ų | 152 | 111.7 Ų | 111.7 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | | | cis | -141.7 | -180 | 7 | -140.4 | -29 | 0 | 0 | 0 | 114.5 | | |
| 2115 | C | 26.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 111 Ų | 111 | 72% | 0.716 | 74% | 0.739 | S | S | * | * | | | trans | -112.2 | 149.9 | -157.1 | -45.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 2116 | T | 32.1 | Very low | 30.5 | Very low | 158 Ų | 158 | 113.3 Ų | 113.3 | 97% | 0.969 | 75% | 0.748 | S | S | * | * | | | trans | -174.3 | 167.8 | 141.4 | 14.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 2117 | G | 30.1 | Very low | 30.4 | Very low | 71 Ų | 71 | 117 Ų | 117 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | | | trans | -156.8 | -148.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 2118 | N | 28.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 88% | 0.882 | 78% | 0.777 | S | S | * | * | | | trans | 90.8 | 125.2 | -176.9 | -71.8 | -9 | 0 | 0 | 0 | 119.3 | | |
| 2119 | S | 29.4 | Very low | 30.3 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | | | trans | 98.7 | 95.9 | 142.6 | -61.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 2120 | S | 27.8 | Very low | 29.9 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | | 86.3 | 133 | 127.3 | 73 | 0 | 0 | 0 | 0 | 122.3 | | |
| 2121 | S | 30.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | 93.7 | 144.3 | 148 | 81.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 2122 | S | 33.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | 72 | 109.2 | 163.8 | 66.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 2123 | S | 34 | Very low | 29.4 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | | 58.3 | 109.3 | 121 | -51 | 0 | 0 | 0 | 0 | 120.8 | S2125 | S2123-S2125 PolarHBondContact O-N 3.47Š|
| 2124 | N | 25.9 | Very low | 29.6 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | | | trans | -68.7 | 113.3 | 173.5 | -66.2 | -15.7 | 0 | 0 | 0 | 113.9 | | |
| 2125 | S | 30.4 | Very low | 29.4 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | -111.8 | 171.8 | 142.7 | 60.7 | 0 | 0 | 0 | 0 | 107.8 | S2123 | S2123-S2125 PolarHBondContact O-N 3.47Š|
| 2126 | S | 32.2 | Very low | 29.6 | Very low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | | | cis | -155.8 | 140.2 | 14.1 | 37.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 2127 | L | 25.6 | Very low | 29.3 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | | | | 55.5 | 130.9 | 90.2 | -95.2 | 169.8 | 0 | 0 | 0 | 116.2 | | |
| 2128 | T | 28.9 | Very low | 29.1 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | | | trans | 65.7 | 150.5 | 171 | 63.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 2129 | G | 29.8 | Very low | 29.3 | Very low | 65 Ų | 65 | 121.9 Ų | 121.9 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | | | cis | 176.2 | 164.6 | -6.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 2130 | E | 27 | Very low | 29.2 | Very low | 197 Ų | 197 | 120.1 Ų | 120.1 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | | | trans | 56.5 | 127.8 | 162.9 | -54.5 | -158.6 | 137.4 | 0 | 0 | 122.3 | | |
| 2131 | S | 25.6 | Very low | 29.2 | Very low | 104 Ų | 104 | 122.2 Ų | 122.2 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | 21.7 | 115.3 | 136.9 | 169.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 2132 | Q | 31.2 | Very low | 29.2 | Very low | 187 Ų | 187 | 123.4 Ų | 123.4 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | | | | -160.9 | 175.7 | 120.5 | -112.8 | 164 | 60.5 | 0 | 0 | 114.3 | | |
| 2133 | L | 27.6 | Very low | 29 | Very low | 156 Ų | 156 | 122 Ų | 122 | 82% | 0.817 | 73% | 0.734 | S | S | * | * | | | trans | -86.5 | 157.4 | -168.6 | -68.3 | 101.3 | 0 | 0 | 0 | 114.2 | | |
| 2134 | P | 34.1 | Very low | 28.9 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | | | trans | -82.4 | 119.8 | 171.1 | 32.4 | -33.1 | 0 | 0 | 0 | 112.8 | | |
| 2135 | S | 26.1 | Very low | 29 | Very low | 133 Ų | 133 | 117 Ų | 117 | 93% | 0.93 | 69% | 0.692 | S | S | * | * | | | trans | -175.1 | 141.7 | 152.7 | -82.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 2136 | G | 29.9 | Very low | 29 | Very low | 67 Ų | 67 | 117.7 Ų | 117.7 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | | | trans | 127.2 | 80.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 2137 | V | 26 | Very low | 28.8 | Very low | 139 Ų | 139 | 119.5 Ų | 119.5 | 84% | 0.842 | 69% | 0.686 | S | S | * | * | | | | 73.1 | 122.1 | 65.5 | 175.9 | 0 | 0 | 0 | 0 | 112 | | |
| 2138 | V | 26.2 | Very low | 29.1 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 66% | 0.655 | 68% | 0.682 | S | S | * | * | | | cis | -161.7 | -153.1 | -13.5 | 71.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 2139 | I | 32.3 | Very low | 29 | Very low | 62 Ų | 62 | 116.5 Ų | 116.5 | 32% | 0.318 | 67% | 0.672 | S | S | . | * | | | trans | 100.7 | 76 | 161.6 | -52.1 | -179.3 | 0 | 0 | 0 | 117.5 | G2107 I2108 | G2107-I2139 WeakPolarHBondContact O-CD1 3.15Å; I2108-I2139 HydrophobicContact CD1-CG2 4.05Å; I2108-I2139 HydrophobicContact CG1-CG2 3.48Å; I2108-I2139 VanDerWaalsContact CG1-CG2 3.48Å |
| 2140 | D | 28.6 | Very low | 29.2 | Very low | 71 Ų | 71 | 121.5 Ų | 121.5 | 38% | 0.38 | 68% | 0.678 | S | S | . | * | | | | 49.7 | 127.2 | 105.4 | -54.3 | -25.3 | 0 | 0 | 0 | 123.3 | S2106 | S2106-D2140 PolarHBondContact N-OD2 3.42Š|
| 2141 | H | 27.4 | Very low | 29.3 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 71% | 0.708 | 67% | 0.67 | S | S | * | * | | | trans | 65.8 | 145.5 | 143.6 | -57.9 | -40.3 | 0 | 0 | 0 | 118.6 | | |
| 2142 | N | 30 | Very low | 29.3 | Very low | 134 Ų | 134 | 119.7 Ų | 119.7 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | | | cis | -158.6 | 162.7 | 19.2 | -139.4 | -11.7 | 0 | 0 | 0 | 112.8 | | |
| 2143 | S | 30.3 | Very low | 29.3 | Very low | 74 Ų | 74 | 119.2 Ų | 119.2 | 52% | 0.517 | 66% | 0.662 | S | S | . | * | | | trans | 22.5 | 145.5 | 144.6 | 61.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 2144 | K | 32 | Very low | 29.3 | Very low | 112 Ų | 112 | 116.4 Ų | 116.4 | 49% | 0.487 | 66% | 0.655 | S | S | . | * | | | cis | -171.5 | 143.9 | 22 | -119.9 | 160 | 165.6 | -93.2 | 0 | 111.2 | N1482 S1483 S1484 | N1482-K2144 PolarHBondContact O-NZ 3.04Å; S1483-K2144 WeakPolarHBondContact O-CE 3.42Å; S1483-K2144 PolarHBondContact O-NZ 2.72Å; S1483-K2144 WeakPolarHBondContact OG-CB 3.42Å; S1483-K2144 WeakPolarHBondContact OG-CD 3.48Å; S1483-K2144 WeakPolarHBondContact OG-CG 3.25Å; S1483-K2144 PolarHBondContact OG-NZ 2.65Å; S1483-K2144 VanDerWaalsContact OG-NZ 3.13Å; S1484-K2144 VanDerWaalsContact CB-CG 3.47Å; S1484-K2144 WeakPolarHBondContact OG-CG 3.21Å |
| 2145 | I | 28.3 | Very low | 29 | Very low | 74 Ų | 74 | 117.1 Ų | 117.1 | 38% | 0.379 | 65% | 0.652 | S | S | . | * | | | trans | -31.8 | 143.3 | 172.7 | -101.1 | 176.2 | 0 | 0 | 0 | 117.4 | S1483 | S1483-I2145 VanDerWaalsContact CB-O 3.22Å; S1483-I2145 WeakPolarHBondContact CB-O 3.39Å |
| 2146 | M | 30.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 62% | 0.616 | 64% | 0.644 | S | S | * | * | | | | -154.2 | 142.3 | 114.6 | -141.3 | 171.9 | 66.8 | 0 | 0 | 114 | L1481 | L1481-M2146 HydrophobicContact CD2-CE 4.14Å; L1481-M2146 HydrophobicContact CD2-SD 3.45Å; L1481-M2146 WeakPolarHBondContact CD2-SD 3.39Å; L1481-M2146 HydrophobicContact CG-SD 4.18Å |
| 2147 | D | 28.2 | Very low | 29.3 | Very low | 135 Ų | 135 | 119 Ų | 119 | 72% | 0.722 | 64% | 0.641 | S | S | * | * | | | trans | -74.8 | -176.2 | 159 | -88.9 | -64.5 | 0 | 0 | 0 | 111.2 | | |
| 2148 | I | 29.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 118 Ų | 118 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | | | trans | 101.3 | 105.8 | 161.6 | -56.8 | 164.7 | 0 | 0 | 0 | 115.8 | | |
| 2149 | S | 28.3 | Very low | 29.4 | Very low | 95 Ų | 95 | 117.9 Ų | 117.9 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | | | trans | 60.9 | 167.3 | 148.8 | -91.9 | 0 | 0 | 0 | 0 | 120 | | |
| 2150 | E | 33.6 | Very low | 29.3 | Very low | 171 Ų | 171 | 121.4 Ų | 121.4 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | | | cis | -128.7 | 150.1 | 3.7 | -156.7 | 104.5 | -92.9 | 0 | 0 | 112.8 | | |
| 2151 | K | 28.1 | Very low | 29.4 | Very low | 176 Ų | 176 | 125 Ų | 125 | 77% | 0.765 | 68% | 0.681 | S | S | * | * | | | trans | -60.1 | 149.5 | 173.5 | -64.9 | 168.9 | 158.9 | -176.5 | 0 | 113.8 | | |
| 2152 | S | 26.2 | Very low | 29.3 | Very low | 86 Ų | 86 | 124 Ų | 124 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | | | trans | 65.3 | 159.9 | 131.3 | 74.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 2153 | H | 30.9 | Very low | 29.3 | Very low | 177 Ų | 177 | 125.7 Ų | 125.7 | 82% | 0.819 | 69% | 0.689 | S | S | * | * | | | cis | -123.5 | 159.7 | 6.2 | -92.8 | -82.9 | 0 | 0 | 0 | 113.7 | | |
| 2154 | S | 28.1 | Very low | 29.1 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 70% | 0.697 | S | S | * | * | | | trans | -76.5 | 171.6 | 166.7 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 2155 | L | 28.8 | Very low | 29.3 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 70% | 0.696 | 71% | 0.707 | S | S | * | * | | | cis | -162.3 | 144.2 | 41.8 | -119.3 | 173.4 | 0 | 0 | 0 | 111.7 | | |
| 2156 | D | 29.8 | Very low | 29.2 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | | | trans | 61.5 | 177.8 | 146.4 | -98.1 | 9 | 0 | 0 | 0 | 119.2 | | |
| 2157 | P | 31.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | | | cis | -139.2 | 179.7 | 17.6 | 45.3 | -27.1 | 0 | 0 | 0 | 118.9 | | |
| 2158 | T | 28.8 | Very low | 28.9 | Very low | 118 Ų | 118 | 129.9 Ų | 129.9 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | trans | 55.1 | 135.4 | 156.1 | 51.6 | 0 | 0 | 0 | 0 | 120 | | |
| 2159 | S | 26.9 | Very low | 28.9 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | | | cis | 84.6 | 105.2 | 24 | 90.2 | 0 | 0 | 0 | 0 | 117 | | |
| 2160 | V | 29.7 | Very low | 28.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | | | trans | -158.6 | 137.3 | -179.2 | 163 | 0 | 0 | 0 | 0 | 107.5 | | |
| 2161 | I | 30.5 | Very low | 28.7 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 75% | 0.754 | 74% | 0.736 | S | S | * | * | | | cis | -151.4 | 161.6 | -12.1 | -119.6 | 175 | 0 | 0 | 0 | 111 | | |
| 2162 | N | 24.6 | Very low | 28.9 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | | | trans | -60.7 | 168.8 | 173.9 | -59.7 | -55 | 0 | 0 | 0 | 115.6 | | |
| 2163 | L | 29.9 | Very low | 29 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | | -165.8 | 164.3 | 128.2 | -103.7 | 158.3 | 0 | 0 | 0 | 113.3 | | |
| 2164 | I | 26.9 | Very low | 28.8 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | | | trans | -152.9 | 154.2 | -151.5 | -64.6 | 172.6 | 0 | 0 | 0 | 106.7 | | |
| 2165 | P | 37.1 | Very low | 28.7 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | cis | -136 | -137.3 | -31.8 | 43.1 | -23.6 | 0 | 0 | 0 | 112.5 | | |
| 2166 | T | 25 | Very low | 29.2 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | trans | 91.2 | 103 | 149.3 | 23.5 | 0 | 0 | 0 | 0 | 123.8 | | |
| 2167 | T | 25.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | | 75.4 | 138 | 128.9 | 46 | 0 | 0 | 0 | 0 | 125.5 | | |
| 2168 | T | 27.4 | Very low | 29.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 75% | 0.75 | S | S | * | * | | | trans | 68.6 | 100.3 | 154 | 31.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 2169 | A | 28.7 | Very low | 29.1 | Very low | 88 Ų | 88 | 128.4 Ų | 128.4 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | | 174.4 | 134.7 | 97.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 2170 | T | 29.1 | Very low | 29.3 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | 48.1 | 112.5 | 147.8 | 54.7 | 0 | 0 | 0 | 0 | 124.4 | | |
| 2171 | I | 28.8 | Very low | 29 | Very low | 153 Ų | 153 | 127 Ų | 127 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | | 59.7 | 131.1 | 115.7 | -62.6 | 164.6 | 0 | 0 | 0 | 119.9 | | |
| 2172 | P | 33.5 | Very low | 28.9 | Very low | 100 Ų | 100 | 131 Ų | 131 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | | | cis | -145.1 | -176.5 | -24.8 | 42 | -21.6 | 0 | 0 | 0 | 116.5 | | |
| 2173 | Q | 28.2 | Very low | 29 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | | | trans | 74.5 | 96 | 145 | -82.1 | 160.6 | -6.9 | 0 | 0 | 123.8 | | |
| 2174 | Y | 26.8 | Very low | 28.8 | Very low | 215 Ų | 215 | 129 Ų | 129 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | | | trans | 34.1 | 128.7 | 131.1 | -60.3 | -82.7 | 0 | 0 | 0 | 121.4 | | |
| 2175 | C | 25 | Very low | 28.7 | Very low | 117 Ų | 117 | 130 Ų | 130 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | | | cis | 99.3 | 146.6 | 39.6 | -76.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 2176 | P | 39.8 | Very low | 28.3 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | trans | -144.6 | -142.4 | -133.2 | 41.6 | -18.6 | 0 | 0 | 0 | 115.2 | | |
| 2177 | V | 29.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 128.1 Ų | 128.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | 84.7 | 117.8 | 168.4 | -165.1 | 0 | 0 | 0 | 0 | 113.4 | V2179 | V2177-V2179 HydrophobicContact CG1-CG2 3.74Š|
| 2178 | A | 28.9 | Very low | 28.5 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | | 73.2 | 160.5 | 50.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 2179 | V | 29.9 | Very low | 28.8 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | | | | -172.9 | 154.4 | 53.5 | 156.5 | 0 | 0 | 0 | 0 | 107 | V2177 | V2177-V2179 HydrophobicContact CG1-CG2 3.74Š|
| 2180 | V | 30.2 | Very low | 29.3 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | | | cis | -162.6 | 154.5 | -20.9 | 141.7 | 0 | 0 | 0 | 0 | 105.7 | R2182 | V2180-R2182 HydrophobicContact CG1-CG 4.21Š|
| 2181 | A | 23.2 | Very low | 29.3 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | trans | -115.7 | 131.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 2182 | R | 29.1 | Very low | 29.2 | Very low | 231 Ų | 231 | 131.2 Ų | 131.2 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | -142.5 | 130.3 | 162.5 | -80.6 | -169.3 | 171.2 | 169.9 | -2.6 | 107.7 | V2180 | V2180-R2182 HydrophobicContact CG1-CG 4.21Š|
| 2183 | A | 27.8 | Very low | 29.1 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | | | cis | 91.5 | 153.3 | 45.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 2184 | Q | 24.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | -140 | 148.4 | -138.3 | -176.8 | 176.4 | -14.4 | 0 | 0 | 113.2 | | |
| 2185 | E | 26.1 | Very low | 29.2 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | trans | 72.9 | 125.9 | 154.3 | -88.8 | 159.9 | -147.3 | 0 | 0 | 124.8 | | |
| 2186 | A | 27 | Very low | 29.2 | Very low | 95 Ų | 95 | 126.1 Ų | 126.1 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | | 73.4 | 157.1 | 125.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 2187 | A | 27.2 | Very low | 28.8 | Very low | 81 Ų | 81 | 127.3 Ų | 127.3 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | | | cis | -150.8 | 153 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 2188 | N | 29.4 | Very low | 28.6 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | | -169.4 | 150.5 | 119.8 | -97.4 | -28.8 | 0 | 0 | 0 | 111.9 | | |
| 2189 | L | 33.7 | Very low | 28.6 | Very low | 158 Ų | 158 | 130.3 Ų | 130.3 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | | | trans | -139.9 | -159.2 | -167.3 | -132.8 | 77.5 | 0 | 0 | 0 | 108.3 | | |
| 2190 | P | 38.8 | Very low | 28.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | | | cis | -88 | -158.6 | 4 | 41.2 | -38.8 | 0 | 0 | 0 | 112.2 | | |
| 2191 | T | 27.7 | Very low | 28.4 | Very low | 112 Ų | 112 | 135.5 Ų | 135.5 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | cis | -163.5 | 165.7 | 17.4 | 2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 2192 | N | 26.9 | Very low | 28.7 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | cis | -165 | 167.9 | -17.4 | -131.5 | 2.5 | 0 | 0 | 0 | 106.8 | | |
| 2193 | S | 32.1 | Very low | 28.7 | Very low | 65 Ų | 65 | 136.7 Ų | 136.7 | 46% | 0.455 | 75% | 0.752 | S | S | . | * | | | cis | -149.9 | 173.6 | -10.1 | 80 | 0 | 0 | 0 | 0 | 109.4 | | |
| 2194 | D | 27.5 | Very low | 28.8 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | | | trans | 33.9 | 115.6 | 154.8 | -36.1 | -47.2 | 0 | 0 | 0 | 119 | | |
| 2195 | Y | 28.3 | Very low | 29.5 | Very low | 206 Ų | 206 | 136.3 Ų | 136.3 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | | -148.9 | 138.9 | 57.8 | -108.6 | -99.9 | 0 | 0 | 0 | 114.4 | | |
| 2196 | S | 26.9 | Very low | 29.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -86 | 143.9 | 160.6 | -64.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 2197 | N | 29.8 | Very low | 30 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | | | trans | 176.4 | 89.6 | 141.2 | -93.3 | -26 | 0 | 0 | 0 | 112.3 | | |
| 2198 | L | 26.5 | Very low | 30.1 | Very low | 182 Ų | 182 | 143.5 Ų | 143.5 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | trans | -141.9 | 71.1 | 152.8 | -92.5 | 179.7 | 0 | 0 | 0 | 112.2 | | |
| 2199 | P | 28.7 | Very low | 29.9 | Very low | 87 Ų | 87 | 147.1 Ų | 147.1 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | | | trans | -94.9 | 161.1 | 152 | 36 | -29.3 | 0 | 0 | 0 | 110.4 | | |
| 2200 | D | 26.8 | Very low | 29.8 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | | | cis | -145.3 | 161 | -3.5 | -96.1 | -36.7 | 0 | 0 | 0 | 109 | | |
| 2201 | E | 29.5 | Very low | 29.3 | Very low | 183 Ų | 183 | 148 Ų | 148 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | | | trans | -82.4 | 131.9 | 165.9 | -91.4 | -163.6 | 120.3 | 0 | 0 | 112.7 | | |
| 2202 | V | 28.4 | Very low | 29.5 | Very low | 124 Ų | 124 | 149 Ų | 149 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | 62.7 | 97.4 | 151.7 | -173.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 2203 | R | 29.1 | Very low | 29.8 | Very low | 232 Ų | 232 | 148 Ų | 148 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | | | trans | -175.9 | 144.1 | 134.7 | -106.7 | 162.7 | 159.1 | 171.6 | -5.7 | 110.6 | | |
| 2204 | D | 29.6 | Very low | 29.8 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | cis | -148.8 | 151.9 | -2.7 | -150.5 | 32.3 | 0 | 0 | 0 | 109.1 | | |
| 2205 | P | 39.1 | Very low | 30.2 | Very low | 115 Ų | 115 | 157.2 Ų | 157.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | | | trans | -105.7 | 152.1 | -166 | 38.1 | -33 | 0 | 0 | 0 | 115.4 | | |
| 2206 | S | 29.7 | Very low | 30.3 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -154.3 | 129 | 158.7 | 76.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 2207 | R | 33.8 | Very low | 30.4 | Very low | 226 Ų | 226 | 154.2 Ų | 154.2 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | | | trans | 55.7 | 138.3 | 159.5 | -56.4 | 178.5 | 179.9 | -151.6 | -2 | 118.7 | | |
| 2208 | N | 30.4 | Very low | 30.4 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 78% | 0.781 | 81% | 0.807 | S | S | * | * | | | cis | -157.9 | 135.6 | -9.6 | -109.9 | 3.9 | 0 | 0 | 0 | 107.7 | | |
| 2209 | Y | 25.5 | Very low | 30.4 | Very low | 240 Ų | 240 | 149.7 Ų | 149.7 | 94% | 0.941 | 80% | 0.802 | S | S | * | * | | | trans | -106.2 | 133.7 | 164.4 | -82.1 | -80.2 | 0 | 0 | 0 | 109.8 | | |
| 2210 | A | 30.5 | Very low | 30.2 | Very low | 99 Ų | 99 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -96.1 | 129.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 2211 | M | 27.8 | Very low | 30.1 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -76.4 | 153.3 | 175.4 | -65.9 | 156.5 | 53.3 | 0 | 0 | 111 | | |
| 2212 | V | 33.3 | Very low | 30.1 | Very low | 133 Ų | 133 | 144 Ų | 144 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | | | trans | -131.4 | 122.8 | 157.2 | 178.7 | 0 | 0 | 0 | 0 | 108.1 | | |
| 2213 | D | 31.8 | Very low | 30.1 | Very low | 126 Ų | 126 | 144.4 Ų | 144.4 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | trans | -77.8 | 155.1 | 177 | -168.7 | 5 | 0 | 0 | 0 | 110.9 | | |
| 2214 | L | 32.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | | | trans | -140.3 | 73.4 | 178.5 | -74 | 178.6 | 0 | 0 | 0 | 111.1 | | |
| 2215 | R | 35.9 | Very low | 30.2 | Very low | 220 Ų | 220 | 137.7 Ų | 137.7 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | | | trans | -103.4 | 134.9 | 157.7 | -67.9 | -173 | 175.8 | -159.8 | -1.7 | 109.8 | | |
| 2216 | P | 31.2 | Very low | 29.6 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -80.9 | 147.1 | -180 | 32.8 | -34.5 | 0 | 0 | 0 | 111.9 | | |
| 2217 | S | 28.2 | Very low | 29.7 | Very low | 122 Ų | 122 | 140 Ų | 140 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | -153 | 153.1 | 159.3 | -77.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 2218 | P | 30.2 | Very low | 29.4 | Very low | 122 Ų | 122 | 136.7 Ų | 136.7 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | | | trans | -110.9 | 169.7 | -148.4 | 39.9 | -33 | 0 | 0 | 0 | 115.5 | | |
| 2219 | A | 26.7 | Very low | 29.3 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 69 | 139 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 2220 | S | 25.2 | Very low | 29.3 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -151 | 164.1 | -2.4 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 2221 | S | 24.8 | Very low | 29.1 | Very low | 90 Ų | 90 | 132 Ų | 132 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | | | trans | 15.3 | 114.2 | 149.1 | 60.2 | 0 | 0 | 0 | 0 | 119.4 | | |
| 2222 | T | 29 | Very low | 29.2 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -143.5 | 115.6 | 144.2 | -5.7 | 0 | 0 | 0 | 0 | 105.2 | | |
| 2223 | I | 28 | Very low | 29 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 68% | 0.682 | 75% | 0.753 | S | S | * | * | | | | 55.1 | 118.3 | 59.7 | -51.5 | 178.1 | 0 | 0 | 0 | 109.6 | | |
| 2224 | P | 30.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 131.2 Ų | 131.2 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -60.7 | 159.3 | 178.8 | 26 | -34 | 0 | 0 | 0 | 111.7 | | |
| 2225 | P | 30.5 | Very low | 28.6 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | | | trans | -66.4 | 145.9 | -140.4 | 22.9 | -35.1 | 0 | 0 | 0 | 115.4 | E2227 | P2225-E2227 PolarHBondContact O-N 3.24Š|
| 2226 | A | 27.5 | Very low | 28.4 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -78.7 | 102.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 2227 | E | 30.9 | Very low | 28.4 | Very low | 172 Ų | 172 | 122.8 Ų | 122.8 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | | | trans | -106.5 | 88.5 | 163.1 | -73.5 | -162.7 | 174.4 | 0 | 0 | 111.1 | P2225 | P2225-E2227 PolarHBondContact O-N 3.24Š|
| 2228 | L | 27.1 | Very low | 28.6 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | | | trans | -112.7 | 82 | 155.7 | -121.6 | 175.8 | 0 | 0 | 0 | 107.8 | L2230 | L2228-L2230 PolarHBondContact O-N 3.45Š|
| 2229 | T | 29.4 | Very low | 28.6 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 75% | 0.748 | 68% | 0.679 | S | S | * | * | | | trans | -63.5 | 121.2 | 173.9 | -58.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 2230 | L | 25.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 74% | 0.738 | 68% | 0.676 | S | S | * | * | | | trans | -80.7 | 138.4 | -178.4 | -77 | 167 | 0 | 0 | 0 | 112.4 | L2228 | L2228-L2230 PolarHBondContact O-N 3.45Š|
| 2231 | N | 25.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 66% | 0.658 | 68% | 0.684 | S | S | * | * | | | trans | 68.4 | 149.7 | 166.9 | -53.1 | -36.4 | 0 | 0 | 0 | 114.2 | I2233 | N2231-I2233 HydrophobicContact CB-CD1 4.32Å; N2231-I2233 HydrophobicContact CB-CG1 4.49Å |
| 2232 | I | 29.8 | Very low | 29.3 | Very low | 156 Ų | 156 | 125.2 Ų | 125.2 | 80% | 0.8 | 69% | 0.687 | S | S | * | * | | | cis | -136.3 | 113.2 | 41.6 | -71.4 | 166.4 | 0 | 0 | 0 | 109 | | |
| 2233 | I | 28.7 | Very low | 29.2 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 56% | 0.564 | 69% | 0.688 | S | S | * | * | | | | 69 | 101 | 93.7 | -59.1 | 157.8 | 0 | 0 | 0 | 115.7 | N2231 | N2231-I2233 HydrophobicContact CB-CD1 4.32Å; N2231-I2233 HydrophobicContact CB-CG1 4.49Å |
| 2234 | Q | 29.3 | Very low | 29.2 | Very low | 157 Ų | 157 | 129.1 Ų | 129.1 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | | | | -178.2 | 118 | 124.6 | -103.7 | 173 | -41.8 | 0 | 0 | 107.5 | | |
| 2235 | H | 27.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | | | | 54.7 | 124.3 | 63.8 | -72.3 | -72.3 | 0 | 0 | 0 | 112.6 | | |
| 2236 | H | 31.3 | Very low | 29 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 34% | 0.338 | 69% | 0.69 | S | S | . | * | | | cis | -138.1 | 143.1 | 30.2 | -93.4 | -105.9 | 0 | 0 | 0 | 111.6 | S2323 S2324 | H2236-S2323 PolarHBondContact CD2-N 2.84Å; H2236-S2324 PolarHBondContact CD2-N 2.86Å; H2236-S2324 PolarHBondContact CE1-N 2.53Å; H2236-S2324 PolarHBondContact NE2-N 3.08Å |
| 2237 | N | 32 | Very low | 29 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | | | | 66.5 | 155.1 | 97.9 | -54.2 | 19 | 0 | 0 | 0 | 113.3 | S2321 | N2237-S2321 WeakPolarHBondContact O-CA 3.16Š|
| 2238 | D | 31.5 | Very low | 28.7 | Very low | 79 Ų | 79 | 128.8 Ų | 128.8 | 42% | 0.422 | 68% | 0.684 | S | S | . | * | | | cis | -146.1 | 172.8 | 35.2 | -85.1 | 42.2 | 0 | 0 | 0 | 109.4 | G2320 S2321 | D2238-G2320 VanDerWaalsContact CB-CA 3.44Å; D2238-S2321 PolarHBondContact OD1-N 3.47Å |
| 2239 | N | 31.5 | Very low | 28.6 | Very low | 92 Ų | 92 | 126 Ų | 126 | 49% | 0.492 | 68% | 0.678 | S | S | . | * | | | cis | -150.3 | 166.3 | 4.8 | -125 | -37.1 | 0 | 0 | 0 | 113.2 | T2319 | N2239-T2319 PolarHBondContact ND2-O 2.69Š|
| 2240 | R | 32.2 | Very low | 28.5 | Very low | 213 Ų | 213 | 125.3 Ų | 125.3 | 80% | 0.804 | 68% | 0.679 | S | S | * | * | | | trans | -6.5 | 154.6 | 149.5 | -74.4 | 173 | 162.2 | 173.8 | -7 | 120.3 | | |
| 2241 | T | 28.8 | Very low | 28.6 | Very low | 137 Ų | 137 | 123.4 Ų | 123.4 | 84% | 0.84 | 68% | 0.677 | S | S | * | * | | | cis | 125.4 | 126.7 | 2.2 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 2242 | G | 29 | Very low | 28.7 | Very low | 67 Ų | 67 | 123.9 Ų | 123.9 | 69% | 0.691 | 68% | 0.684 | S | S | * | * | | | trans | 162.1 | 116.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 2243 | Q | 26.3 | Very low | 28.7 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 79% | 0.79 | 68% | 0.677 | S | S | * | * | | | | 63.7 | 134.6 | 91.3 | -66.1 | -175.3 | -17 | 0 | 0 | 113.6 | | |
| 2244 | F | 28.7 | Very low | 28.8 | Very low | 168 Ų | 168 | 122.4 Ų | 122.4 | 74% | 0.737 | 69% | 0.692 | S | S | * | * | | | cis | -152.6 | 168.3 | 36.9 | -81.3 | -93 | 0 | 0 | 0 | 114.7 | | |
| 2245 | T | 29.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 69% | 0.689 | S | S | * | * | | | trans | 57.4 | 144.9 | 141.4 | 50.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 2246 | T | 28.1 | Very low | 29.1 | Very low | 119 Ų | 119 | 116.8 Ų | 116.8 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | | | cis | -167.5 | 161.7 | -12.3 | 12.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 2247 | C | 26.3 | Very low | 29 | Very low | 107 Ų | 107 | 118.3 Ų | 118.3 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | | | trans | 59.5 | 112.9 | 144.7 | -65.5 | 0 | 0 | 0 | 0 | 123.5 | | |
| 2248 | N | 24.4 | Very low | 28.9 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | | 58.3 | 127.6 | 118.4 | -71.5 | 14.9 | 0 | 0 | 0 | 124.7 | | |
| 2249 | S | 26.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 120.8 Ų | 120.8 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | | | trans | 85 | 101.5 | 130.6 | -62.9 | 0 | 0 | 0 | 0 | 122.5 | | |
| 2250 | S | 26.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | | 77.5 | 146.5 | 124.1 | 67.6 | 0 | 0 | 0 | 0 | 123 | | |
| 2251 | S | 26.5 | Very low | 28.5 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 71% | 0.706 | 76% | 0.758 | S | S | * | * | | | trans | 87.6 | 132.8 | 157.4 | 75.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 2252 | T | 28.7 | Very low | 28.5 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | 59.1 | 146 | 155.7 | 49.5 | 0 | 0 | 0 | 0 | 120.3 | | |
| 2253 | S | 29 | Very low | 28.4 | Very low | 92 Ų | 92 | 118.4 Ų | 118.4 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -170.1 | 165.9 | -17.3 | 50.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 2254 | T | 31 | Very low | 28.6 | Very low | 143 Ų | 143 | 113 Ų | 113 | 88% | 0.877 | 74% | 0.737 | S | S | * | * | | | trans | 60 | 131.5 | 159.8 | 46.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 2255 | G | 31.6 | Very low | 28.6 | Very low | 65 Ų | 65 | 109.3 Ų | 109.3 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | cis | 173.9 | 176 | -4.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 2256 | S | 31.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 106.5 Ų | 106.5 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | | | trans | 63.1 | 109.6 | 160.5 | -51.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 2257 | S | 29 | Very low | 28.8 | Very low | 105 Ų | 105 | 104.7 Ų | 104.7 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | | | | 75.6 | 137.3 | 62.7 | 73.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 2258 | S | 29.7 | Very low | 28.8 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | | | cis | -170.2 | 170.6 | -6.6 | 43.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 2259 | S | 29.4 | Very low | 29 | Very low | 122 Ų | 122 | 105.2 Ų | 105.2 | 85% | 0.853 | 71% | 0.71 | S | S | * | * | | | trans | -74.2 | 161.8 | 170.5 | 50.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 2260 | G | 30.7 | Very low | 29 | Very low | 63 Ų | 63 | 105.8 Ų | 105.8 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | | | cis | 169.7 | 164.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 2261 | D | 26.7 | Very low | 28.9 | Very low | 166 Ų | 166 | 104.5 Ų | 104.5 | 89% | 0.888 | 70% | 0.7 | S | S | * | * | | | trans | 56.3 | 154.4 | 168.3 | -44.2 | -29.4 | 0 | 0 | 0 | 118.9 | | |
| 2262 | C | 29.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 106.3 Ų | 106.3 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | | | cis | -143.2 | 148 | 8.2 | -47.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 2263 | T | 27.4 | Very low | 28.8 | Very low | 122 Ų | 122 | 105.2 Ų | 105.2 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | | | trans | 31.4 | 149 | 139.2 | 60.7 | 0 | 0 | 0 | 0 | 123.7 | | |
| 2264 | S | 29.7 | Very low | 29 | Very low | 56 Ų | 56 | 107.2 Ų | 107.2 | 39% | 0.392 | 70% | 0.698 | S | S | . | * | | | cis | 177.8 | -179.7 | -17.4 | 62.4 | 0 | 0 | 0 | 0 | 107.4 | Q2479 | S2264-Q2479 VanDerWaalsContact O-CG 3.23Å; S2264-Q2479 WeakPolarHBondContact O-CG 3.11Å |
| 2265 | D | 29.4 | Very low | 29 | Very low | 90 Ų | 90 | 107.9 Ų | 107.9 | 48% | 0.481 | 69% | 0.691 | S | S | . | * | | | cis | -163.3 | 179.7 | 7.4 | -138.6 | -49.6 | 0 | 0 | 0 | 110 | I2480 | D2265-I2480 CarbonylContact O-C 3.55Š|
| 2266 | A | 31.3 | Very low | 28.8 | Very low | 60 Ų | 60 | 108.4 Ų | 108.4 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | | | trans | 64.4 | 161.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | D2481 | A2266-D2481 VanDerWaalsContact CB-O 3.28Å; A2266-D2481 WeakPolarHBondContact CB-O 3.19Å |
| 2267 | A | 29.8 | Very low | 28.7 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | | | cis | -149.6 | 159 | 5.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 2268 | T | 27.2 | Very low | 28.7 | Very low | 123 Ų | 123 | 116.9 Ų | 116.9 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | | | trans | 66.5 | 127.3 | 148.8 | 42.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 2269 | L | 28.4 | Very low | 28.8 | Very low | 142 Ų | 142 | 117.3 Ų | 117.3 | 74% | 0.743 | 69% | 0.689 | S | S | * | * | | | trans | 82.8 | 115.7 | 132.6 | -72.7 | 173.7 | 0 | 0 | 0 | 121.6 | | |
| 2270 | T | 26.5 | Very low | 28.8 | Very low | 113 Ų | 113 | 119.4 Ų | 119.4 | 69% | 0.693 | 69% | 0.688 | S | S | * | * | | | | 41.2 | 138.9 | 123.9 | 62.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 2271 | S | 24.7 | Very low | 28.9 | Very low | 80 Ų | 80 | 119.9 Ų | 119.9 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | | | cis | -170.9 | 165.7 | 17.9 | -129.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 2272 | D | 25.3 | Very low | 29.1 | Very low | 140 Ų | 140 | 117 Ų | 117 | 75% | 0.749 | 69% | 0.693 | S | S | * | * | | | trans | 62.4 | -168 | 149 | -46.4 | -18.5 | 0 | 0 | 0 | 115 | | |
| 2273 | T | 27.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 116.6 Ų | 116.6 | 66% | 0.663 | 69% | 0.691 | S | S | * | * | | | cis | -158.7 | -173.4 | 13 | -16.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 2274 | I | 32.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 117 Ų | 117 | 69% | 0.692 | 69% | 0.689 | S | S | * | * | | | trans | 78.8 | 129.8 | 144.4 | -79.1 | 156.4 | 0 | 0 | 0 | 117.5 | | |
| 2275 | E | 30.6 | Very low | 29.4 | Very low | 157 Ų | 157 | 120.3 Ų | 120.3 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | | | cis | -160.6 | 149 | -18 | -128.2 | 167.4 | -166.9 | 0 | 0 | 112.7 | | |
| 2276 | S | 26.5 | Very low | 29.3 | Very low | 75 Ų | 75 | 122.1 Ų | 122.1 | 52% | 0.524 | 71% | 0.712 | S | S | . | * | | | trans | 24.8 | 155 | 134.3 | 77 | 0 | 0 | 0 | 0 | 123.9 | | |
| 2277 | Y | 30.9 | Very low | 29.5 | Very low | 240 Ų | 240 | 128.2 Ų | 128.2 | 94% | 0.941 | 73% | 0.73 | S | S | * | * | | | | -137.9 | 127.2 | 127.3 | -106.4 | -76.9 | 0 | 0 | 0 | 109.3 | | |
| 2278 | E | 27.5 | Very low | 29.5 | Very low | 159 Ų | 159 | 128.1 Ų | 128.1 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | | | trans | -86 | 179.1 | -176.5 | -54.4 | -177.3 | 113.8 | 0 | 0 | 113.4 | | |
| 2279 | T | 31.7 | Very low | 29.6 | Very low | 123 Ų | 123 | 132 Ų | 132 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | trans | 137 | 142.6 | 133.4 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 2280 | I | 30.6 | Very low | 29.7 | Very low | 165 Ų | 165 | 131.6 Ų | 131.6 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | cis | -153 | 153.8 | -8.3 | -116.2 | 159.8 | 0 | 0 | 0 | 108.4 | | |
| 2281 | G | 31.8 | Very low | 29.8 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | | | trans | 112.3 | 127.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 2282 | A | 31.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | cis | -153.8 | 179.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 2283 | S | 32.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 77.1 | 69.1 | 177.8 | -167 | 0 | 0 | 0 | 0 | 117.4 | | |
| 2284 | N | 31 | Very low | 31.2 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | | | trans | 84 | 102 | 138.8 | -58.2 | -33.1 | 0 | 0 | 0 | 118.4 | | |
| 2285 | N | 29.9 | Very low | 31.3 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 67% | 0.674 | 73% | 0.73 | S | S | * | * | | | | 76.5 | 120.2 | 64.9 | -71.3 | -44 | 0 | 0 | 0 | 110.7 | | |
| 2286 | N | 27 | Very low | 31.6 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | | | cis | 126.3 | 116 | 22.6 | -105.6 | -38.9 | 0 | 0 | 0 | 105.2 | | |
| 2287 | H | 35.3 | Very low | 32 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | | | trans | 165.9 | 152.8 | 142.2 | -88.2 | -31.7 | 0 | 0 | 0 | 110.1 | | |
| 2288 | S | 30.9 | Very low | 32.2 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 56% | 0.559 | 72% | 0.722 | S | S | * | * | | | cis | -176.6 | 136.3 | -21.6 | -168.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 2289 | Y | 28.3 | Very low | 32.6 | Very low | 204 Ų | 204 | 131 Ų | 131 | 80% | 0.8 | 72% | 0.715 | S | S | * | * | | | trans | 37.3 | 117.8 | 144.7 | -66.1 | -130.5 | 0 | 0 | 0 | 116.9 | | |
| 2290 | N | 31 | Very low | 32.7 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | | | | -166.2 | 145.1 | 80.9 | -103.1 | -71.6 | 0 | 0 | 0 | 114.6 | | |
| 2291 | N | 29.6 | Very low | 32.9 | Very low | 134 Ų | 134 | 124.9 Ų | 124.9 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | | | trans | 20.6 | 126 | 139.6 | -69.7 | -65.7 | 0 | 0 | 0 | 118.2 | | |
| 2292 | S | 33.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 124.2 Ų | 124.2 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | | | | -172.8 | 146.7 | 54.1 | 42 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2293 | K | 36.9 | Very low | 33.3 | Very low | 185 Ų | 185 | 123 Ų | 123 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | | | trans | 57 | 142.6 | 135.2 | -61.6 | -177.8 | 179.5 | 175.8 | 0 | 118.3 | | |
| 2294 | L | 36 | Very low | 33.4 | Very low | 126 Ų | 126 | 124.9 Ų | 124.9 | 66% | 0.66 | 64% | 0.638 | S | S | * | * | | | cis | -165.6 | 133.1 | 15.5 | -149.8 | 38.3 | 0 | 0 | 0 | 111.3 | | |
| 2295 | N | 35 | Very low | 33.5 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 60% | 0.604 | 63% | 0.634 | S | S | * | * | | | trans | 58.9 | 162.8 | 135.7 | -72.3 | -8.7 | 0 | 0 | 0 | 121.1 | | |
| 2296 | K | 36.3 | Very low | 33.4 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 67% | 0.67 | 64% | 0.638 | S | S | * | * | | | cis | -153 | 133.8 | -6.2 | -119.1 | 164.5 | 179.5 | -176 | 0 | 108.4 | | |
| 2297 | L | 35.7 | Very low | 33.4 | Very low | 118 Ų | 118 | 122.7 Ų | 122.7 | 62% | 0.618 | 64% | 0.637 | S | S | * | * | | | | 67.7 | 119.5 | 105 | -90 | 63.2 | 0 | 0 | 0 | 115.2 | | |
| 2298 | K | 34.8 | Very low | 33 | Very low | 170 Ų | 170 | 124.7 Ų | 124.7 | 74% | 0.739 | 64% | 0.639 | S | S | * | * | | | | 91.8 | 156.9 | 72.8 | -88.8 | -168.3 | -156.9 | 172.9 | 0 | 112.5 | | |
| 2299 | T | 36 | Very low | 32.8 | Very low | 98 Ų | 98 | 125 Ų | 125 | 60% | 0.601 | 66% | 0.655 | S | S | * | * | | | cis | 169 | 166.2 | -26.6 | 39.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 2300 | K | 33.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | | | trans | 81.5 | 154.7 | 146.2 | -77.7 | 158.7 | 174.6 | -77.6 | 0 | 119.3 | M2502 | K2300-M2502 PolarHBondContact NZ-SD 3.23Š|
| 2301 | N | 34.3 | Very low | 32.7 | Very low | 48 Ų | 48 | 124.6 Ų | 124.6 | 26% | 0.257 | 67% | 0.667 | S | S | . | * | | | cis | 177 | 125.1 | -37.9 | -104.4 | -146.1 | 0 | 0 | 0 | 114.3 | N2500 Q2501 M2502 | N2301-N2500 VanDerWaalsContact CA-ND2 3.34Å; N2301-N2500 WeakPolarHBondContact CA-ND2 3.25Å; N2301-N2500 HydrophobicContact CB-CB 3.82Å; N2301-N2500 VanDerWaalsContact ND2-CB 3.32Å; N2301-N2500 WeakPolarHBondContact ND2-CB 3.47Å; N2301-N2500 PolarHBondContact ND2-ND2 3.3Å; N2301-N2500 PolarHBondContact ND2-OD1 2.8Å; N2301-Q2501 HydrophobicContact CB-CB 3.97Å; N2301-Q2501 HydrophobicContact CB-CG 4.49Å; N2301-Q2501 VanDerWaalsContact O-CD 3.3Å; N2301-Q2501 PolarHBondContact O-NE2 3.11Å; N2301-Q2501 PolarHBondContact O-OE1 3.18Å; N2301-Q2501 WeakPolarHBondContact OD1-CA 3.25Å; N2301-M2502 HydrophobicContact CB-CB 4.41Å; N2301-M2502 WeakPolarHBondContact OD1-CB 3.39Å; N2301-M2502 WeakPolarHBondContact OD1-CG 3.01Å |
| 2302 | S | 36.4 | Very low | 33 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 41% | 0.413 | 66% | 0.664 | S | S | . | * | | | trans | 179.8 | 150.5 | 148.5 | -135.8 | 0 | 0 | 0 | 0 | 108.3 | E2499 Q2501 | S2302-E2499 CarbonylContact C-O 3.53Å; S2302-E2499 VanDerWaalsContact C-O 3.23Å; S2302-E2499 WeakPolarHBondContact O-CB 3.45Å; S2302-Q2501 PolarHBondContact OG-NE2 3.31Å |
| 2303 | I | 36.3 | Very low | 32.9 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 41% | 0.41 | 67% | 0.667 | S | S | . | * | | | cis | 72.7 | 127.7 | 11.2 | -126.7 | -176.3 | 0 | 0 | 0 | 121.2 | E2499 N2500 Q2501 | I2303-E2499 PolarHBondContact N-O 3.33Å; I2303-N2500 WeakPolarHBondContact CB-O 3.43Å; I2303-N2500 WeakPolarHBondContact CD1-O 3.37Å; I2303-N2500 WeakPolarHBondContact CG1-O 3.3Å; I2303-Q2501 HydrophobicContact CB-CB 3.94Å; I2303-Q2501 HydrophobicContact CG2-CB 3.62Å; I2303-Q2501 HydrophobicContact CG2-CG 3.81Å |
| 2304 | D | 34 | Very low | 32.9 | Very low | 140 Ų | 140 | 121.5 Ų | 121.5 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | | | | -173.4 | 124.3 | 111.1 | -119.9 | -37.1 | 0 | 0 | 0 | 115.3 | | |
| 2305 | T | 32.5 | Very low | 33.1 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 61% | 0.607 | 67% | 0.668 | S | S | * | * | | | | 37.8 | 125.2 | 127.9 | -43 | 0 | 0 | 0 | 0 | 125.4 | | |
| 2306 | D | 27.7 | Very low | 33.1 | Very low | 143 Ų | 143 | 121.9 Ų | 121.9 | 77% | 0.765 | 67% | 0.67 | S | S | * | * | | | trans | 69.4 | 118.4 | 141.8 | -72.9 | 6.3 | 0 | 0 | 0 | 128.3 | | |
| 2307 | S | 27.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 120.9 Ų | 120.9 | 67% | 0.671 | 67% | 0.671 | S | S | * | * | | | | 89.1 | 156.9 | 119.1 | -69.6 | 0 | 0 | 0 | 0 | 124.5 | | |
| 2308 | Y | 27.4 | Very low | 32.6 | Very low | 230 Ų | 230 | 121 Ų | 121 | 90% | 0.902 | 67% | 0.671 | S | S | * | * | | | trans | 71.8 | 79.2 | 168.5 | -70.6 | -77 | 0 | 0 | 0 | 120.8 | | |
| 2309 | G | 26.5 | Very low | 32.3 | Very low | 87 Ų | 87 | 117.9 Ų | 117.9 | 90% | 0.897 | 67% | 0.667 | S | S | * | * | | | | 62.4 | 119.8 | 106.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 2310 | G | 29.2 | Very low | 32 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | | | trans | -154.9 | 149.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 2311 | R | 27.6 | Very low | 31.7 | Very low | 247 Ų | 247 | 113.3 Ų | 113.3 | 93% | 0.932 | 66% | 0.66 | S | S | * | * | | | trans | -78.1 | 176.1 | 174.6 | -61.4 | 169.8 | 171.7 | -176.9 | -5.2 | 111.6 | | |
| 2312 | G | 35.1 | Very low | 31.4 | Very low | 64 Ų | 64 | 117.2 Ų | 117.2 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | | | trans | 120.4 | 63.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 2313 | D | 31.9 | Very low | 30.9 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | | | | 80 | 163.5 | 70.8 | -60.7 | -47.3 | 0 | 0 | 0 | 111.9 | | |
| 2314 | D | 37.1 | Very low | 30.5 | Very low | 150 Ų | 150 | 117.2 Ų | 117.2 | 80% | 0.802 | 69% | 0.687 | S | S | * | * | | | trans | 67.2 | 99.5 | 173.6 | -54.5 | -18.8 | 0 | 0 | 0 | 119.4 | | |
| 2315 | D | 39.2 | Very low | 30.3 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 67% | 0.674 | 69% | 0.687 | S | S | * | * | | | | 91.7 | 96.4 | 125.6 | -76.2 | 2.7 | 0 | 0 | 0 | 123.6 | | |
| 2316 | N | 34.9 | Very low | 30.1 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 64% | 0.642 | 70% | 0.698 | S | S | * | * | | | | 85 | 141.7 | 113.4 | -64.3 | -28.4 | 0 | 0 | 0 | 122.2 | | |
| 2317 | L | 31.5 | Very low | 30.2 | Very low | 134 Ų | 134 | 123.4 Ų | 123.4 | 70% | 0.702 | 69% | 0.694 | S | S | * | * | | | cis | -170.6 | 163.3 | -32.1 | -117.6 | -174.6 | 0 | 0 | 0 | 109.1 | | |
| 2318 | L | 31.5 | Very low | 30.2 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 62% | 0.623 | 69% | 0.694 | S | S | * | * | | | trans | 52.4 | 106.2 | 153.4 | -59.4 | 171.5 | 0 | 0 | 0 | 119.4 | | |
| 2319 | T | 27.6 | Very low | 30.2 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 64% | 0.644 | 69% | 0.688 | S | S | * | * | | | | 63 | 169.3 | 76 | 70.7 | 0 | 0 | 0 | 0 | 116.8 | N2239 | N2239-T2319 PolarHBondContact ND2-O 2.69Š|
| 2320 | G | 29.6 | Very low | 30.3 | Very low | 42 Ų | 42 | 124.2 Ų | 124.2 | 43% | 0.433 | 67% | 0.674 | S | S | . | * | | | trans | 178.7 | -80.5 | 154.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | D2238 | D2238-G2320 VanDerWaalsContact CB-CA 3.44Š|
| 2321 | S | 27 | Very low | 30.3 | Very low | 74 Ų | 74 | 128.5 Ų | 128.5 | 52% | 0.517 | 67% | 0.672 | S | S | . | * | | | trans | 77.6 | 139.6 | -177.3 | -44.6 | 0 | 0 | 0 | 0 | 117.1 | N2237 D2238 | N2237-S2321 WeakPolarHBondContact O-CA 3.16Å; D2238-S2321 PolarHBondContact OD1-N 3.47Å |
| 2322 | I | 27.8 | Very low | 30.4 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | | | trans | 85.4 | 131.6 | 148.8 | -63.4 | 150.8 | 0 | 0 | 0 | 120.4 | | |
| 2323 | S | 26.9 | Very low | 30.4 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 56% | 0.559 | 67% | 0.666 | S | S | * | * | | | trans | 57.6 | 109.2 | 153.6 | -74.3 | 0 | 0 | 0 | 0 | 125.6 | H2236 | H2236-S2323 PolarHBondContact CD2-N 2.84Š|
| 2324 | S | 28.4 | Very low | 30.2 | Very low | 59 Ų | 59 | 123.3 Ų | 123.3 | 41% | 0.413 | 66% | 0.662 | S | S | . | * | | | | 69.7 | 109.2 | 105.3 | -55.9 | 0 | 0 | 0 | 0 | 121.3 | H2236 | H2236-S2324 PolarHBondContact CD2-N 2.86Å; H2236-S2324 PolarHBondContact CE1-N 2.53Å; H2236-S2324 PolarHBondContact NE2-N 3.08Å |
| 2325 | S | 28.9 | Very low | 29.6 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 66% | 0.656 | S | S | * | * | | | trans | 82.9 | 137.1 | 140.2 | -159.8 | 0 | 0 | 0 | 0 | 119.6 | | |
| 2326 | R | 29.3 | Very low | 29.2 | Very low | 222 Ų | 222 | 121.1 Ų | 121.1 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | | | trans | 65.8 | 145.8 | 174.2 | -72.5 | -178.8 | 173.1 | -166 | -0.6 | 114.2 | | |
| 2327 | R | 29.8 | Very low | 29 | Very low | 180 Ų | 180 | 120.1 Ų | 120.1 | 68% | 0.679 | 66% | 0.661 | S | S | * | * | | | cis | -159.8 | 159.9 | 1.9 | -147.2 | -176.9 | 174.4 | 178.4 | -1.5 | 110 | | |
| 2328 | R | 28.1 | Very low | 28.7 | Very low | 175 Ų | 175 | 118.8 Ų | 118.8 | 66% | 0.66 | 66% | 0.658 | S | S | * | * | | | trans | 72.1 | 126.9 | 165.5 | -56.6 | -165.7 | 156.4 | 151.3 | -6.9 | 113.3 | | |
| 2329 | H | 26 | Very low | 28.6 | Very low | 169 Ų | 169 | 118 Ų | 118 | 78% | 0.782 | 66% | 0.659 | S | S | * | * | | | | 61.3 | 137.2 | 87.5 | -38.8 | -50.1 | 0 | 0 | 0 | 111.8 | | |
| 2330 | S | 28.5 | Very low | 28.8 | Very low | 86 Ų | 86 | 118.7 Ų | 118.7 | 60% | 0.601 | 66% | 0.659 | S | S | * | * | | | cis | -160.6 | 171.6 | 27.1 | 63.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2331 | H | 28.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 124.7 Ų | 124.7 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | | | trans | 42.7 | 110.8 | 148.8 | -50 | -44.3 | 0 | 0 | 0 | 117 | | |
| 2332 | S | 31.2 | Very low | 28.9 | Very low | 104 Ų | 104 | 126.1 Ų | 126.1 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | | | | 158.6 | 161.6 | 75.9 | -90.5 | 0 | 0 | 0 | 0 | 107 | | |
| 2333 | L | 34.7 | Very low | 28.8 | Very low | 142 Ų | 142 | 124.7 Ų | 124.7 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | | | cis | -145.7 | 140.7 | -13.7 | -97.4 | 154.1 | 0 | 0 | 0 | 103.5 | | |
| 2334 | S | 26.9 | Very low | 28.8 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 64% | 0.643 | 70% | 0.695 | S | S | * | * | | | | 46.1 | 102.1 | 88.1 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 2335 | S | 25.4 | Very low | 28.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | | | | 61.4 | 106.3 | 79.5 | 76.3 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2336 | V | 31.6 | Very low | 28.5 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | -135.9 | 105.6 | 150.2 | 153.7 | 0 | 0 | 0 | 0 | 103.9 | | |
| 2337 | T | 29.1 | Very low | 28.5 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 61% | 0.607 | 69% | 0.694 | S | S | * | * | | | | 70.8 | 137.2 | 61.6 | 71.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 2338 | T | 26.4 | Very low | 28.4 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 70% | 0.698 | S | S | * | * | | | cis | -167.9 | -158.5 | -1.1 | 20.1 | 0 | 0 | 0 | 0 | 106.7 | | |
| 2339 | T | 29.7 | Very low | 28.2 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 64% | 0.638 | 70% | 0.697 | S | S | * | * | | | trans | 62.5 | 126.6 | 132.9 | 49.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 2340 | D | 32 | Very low | 28.3 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | | | cis | -162.8 | 129.8 | 13.4 | -109.2 | -6.3 | 0 | 0 | 0 | 110.5 | | |
| 2341 | H | 27.3 | Very low | 28 | Very low | 168 Ų | 168 | 127.2 Ų | 127.2 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | | | | 96 | 157.4 | 94.4 | -90.9 | -24.6 | 0 | 0 | 0 | 113.7 | | |
| 2342 | P | 30 | Very low | 27.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 67% | 0.669 | 70% | 0.704 | S | S | * | * | | | trans | -127.3 | 168.5 | -144.4 | 43.6 | -30 | 0 | 0 | 0 | 116.4 | | |
| 2343 | S | 25.8 | Very low | 27.6 | Very low | 100 Ų | 100 | 126.3 Ų | 126.3 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | | | trans | 20.8 | 126.4 | 148.3 | 63.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2344 | I | 26.7 | Very low | 27.1 | Very low | 156 Ų | 156 | 124.6 Ų | 124.6 | 80% | 0.8 | 71% | 0.711 | S | S | * | * | | | | -166.9 | 124.2 | 120.9 | -103.4 | 156.4 | 0 | 0 | 0 | 113.9 | | |
| 2345 | L | 26.1 | Very low | 27.1 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 72% | 0.717 | 72% | 0.718 | S | S | * | * | | | trans | 45.7 | 118.3 | 146.3 | -53.4 | 175.6 | 0 | 0 | 0 | 124.3 | | |
| 2346 | L | 24.6 | Very low | 27.3 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | | | | 69 | 150.5 | 125.8 | -57.3 | 178.4 | 0 | 0 | 0 | 119.4 | | |
| 2347 | N | 30.2 | Very low | 27.1 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 54% | 0.54 | 73% | 0.73 | S | S | . | * | | | cis | -160 | 148 | 19.4 | -132.3 | -6.7 | 0 | 0 | 0 | 113.9 | | |
| 2348 | Y | 27 | Very low | 27.3 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 76% | 0.757 | 74% | 0.74 | S | S | * | * | | | trans | 54.8 | 150.7 | 148.4 | -64 | -35.2 | 0 | 0 | 0 | 122.8 | | |
| 2349 | I | 25.3 | Very low | 27.4 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 63% | 0.631 | 74% | 0.743 | S | S | * | * | | | cis | -151.4 | 138.2 | -7.6 | -103.3 | 153.2 | 0 | 0 | 0 | 109.6 | | |
| 2350 | H | 27.2 | Very low | 27.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | | | trans | 167.6 | 113.8 | 139.8 | -107.4 | -88.8 | 0 | 0 | 0 | 106.7 | | |
| 2351 | V | 23 | Very low | 27.3 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 70% | 0.703 | 75% | 0.746 | S | S | * | * | | | | 44.7 | 99.5 | 73.7 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 2352 | I | 25.8 | Very low | 27.4 | Very low | 166 Ų | 166 | 132 Ų | 132 | 85% | 0.851 | 74% | 0.741 | S | S | * | * | | | | -123.7 | 170.9 | 65.2 | -73.8 | 166.5 | 0 | 0 | 0 | 113.6 | | |
| 2353 | A | 24.2 | Very low | 27.3 | Very low | 91 Ų | 91 | 132.1 Ų | 132.1 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | | | trans | -70.8 | 175 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 2354 | A | 25.7 | Very low | 27.4 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 88% | 0.876 | 74% | 0.738 | S | S | * | * | | | trans | 77.6 | 85.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 2355 | S | 26.9 | Very low | 27.5 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | | | trans | -146.9 | 129.5 | 166.4 | 57.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 2356 | N | 29 | Very low | 27.8 | Very low | 177 Ų | 177 | 129.4 Ų | 129.4 | 95% | 0.947 | 73% | 0.732 | S | S | * | * | | | cis | 56.7 | 81.3 | 22.5 | -94.3 | 0.7 | 0 | 0 | 0 | 113.4 | | |
| 2357 | G | 27.7 | Very low | 28.1 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | | | trans | -143.9 | 107.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 2358 | R | 32.1 | Very low | 28.2 | Very low | 214 Ų | 214 | 129.1 Ų | 129.1 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | | | trans | -88.6 | -164.8 | 177.7 | -107.9 | -172.9 | -176.4 | -177.2 | 2.4 | 110.4 | | |
| 2359 | F | 28.3 | Very low | 28.2 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | trans | 105.7 | 96.9 | 149.8 | -56.8 | -77.7 | 0 | 0 | 0 | 113.2 | | |
| 2360 | T | 31.9 | Very low | 28.3 | Very low | 97 Ų | 97 | 126 Ų | 126 | 60% | 0.595 | 76% | 0.756 | S | S | * | * | | | | 61.4 | 132.5 | 53.1 | 81.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2361 | S | 28.5 | Very low | 28.4 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | | | trans | -96.8 | 131.6 | 143.8 | -149.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 2362 | L | 29.5 | Very low | 28.7 | Very low | 129 Ų | 129 | 127.9 Ų | 127.9 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | | | cis | 63.7 | 149.3 | 33.9 | -118.5 | 64.3 | 0 | 0 | 0 | 110 | | |
| 2363 | T | 28.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | | | cis | -152.1 | -166.7 | 27.5 | -12 | 0 | 0 | 0 | 0 | 107.6 | | |
| 2364 | T | 26.7 | Very low | 29.1 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | | | cis | -158.5 | 144.2 | 15.3 | -15 | 0 | 0 | 0 | 0 | 107.1 | | |
| 2365 | T | 30.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | | 167.7 | 149.2 | 94.3 | 34.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 2366 | T | 31.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 126.2 Ų | 126.2 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | | | cis | -157.4 | 167.4 | -9.6 | 6.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 2367 | D | 30.2 | Very low | 29.4 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | | | trans | 68.7 | 146.3 | 155.3 | -52.5 | -27.4 | 0 | 0 | 0 | 120.6 | | |
| 2368 | G | 32.4 | Very low | 29.4 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | 157.2 | 4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 2369 | T | 27.7 | Very low | 29.3 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -144.4 | 158.3 | 172.2 | 66.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 2370 | V | 28.4 | Very low | 29.3 | Very low | 117 Ų | 117 | 118.7 Ų | 118.7 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | | | cis | -140.7 | 154 | 15.1 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 2371 | Q | 28.6 | Very low | 29.2 | Very low | 180 Ų | 180 | 118.6 Ų | 118.6 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | | | trans | 131.1 | 141 | 147.9 | -72.7 | -171.3 | 24.5 | 0 | 0 | 112.7 | | |
| 2372 | L | 29.6 | Very low | 29.2 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | | | cis | -178.8 | 114.2 | -27.6 | -115.3 | 176.9 | 0 | 0 | 0 | 104.9 | | |
| 2373 | S | 27.8 | Very low | 29.3 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 51 | 81.1 | 152.6 | 60.1 | 0 | 0 | 0 | 0 | 121.9 | | |
| 2374 | G | 29.5 | Very low | 29.4 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | | | trans | 69.4 | -176.7 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 2375 | P | 33.2 | Very low | 29.7 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | cis | -106.8 | 178.2 | -0.4 | 41.2 | -33 | 0 | 0 | 0 | 113.7 | | |
| 2376 | C | 26.3 | Very low | 29.7 | Very low | 126 Ų | 126 | 121.9 Ų | 121.9 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | | | trans | -75.9 | 128.7 | 171.2 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 2377 | S | 30.3 | Very low | 29.8 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -157.1 | 127.3 | 156.2 | -77 | 0 | 0 | 0 | 0 | 109.6 | | |
| 2378 | V | 27 | Very low | 29.9 | Very low | 142 Ų | 142 | 124.4 Ų | 124.4 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | | | trans | -95.1 | 149.1 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 2379 | G | 30.5 | Very low | 29.9 | Very low | 75 Ų | 75 | 125.5 Ų | 125.5 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | trans | 172.7 | 59.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 2380 | D | 26.7 | Very low | 30.2 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 74% | 0.738 | 74% | 0.74 | S | S | * | * | | | trans | -62.1 | 147.1 | 172.7 | -50.6 | -89.4 | 0 | 0 | 0 | 112 | | |
| 2381 | S | 30 | Very low | 30.1 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | | 175.5 | 125.7 | 118.5 | -89.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 2382 | N | 28.5 | Very low | 30 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | | 54.7 | 145.8 | 120 | -61.5 | -58.2 | 0 | 0 | 0 | 119.3 | | |
| 2383 | H | 32.6 | Very low | 30 | Very low | 125 Ų | 125 | 122.8 Ų | 122.8 | 58% | 0.579 | 73% | 0.732 | S | S | * | * | | | cis | -161.7 | 166.4 | 47.2 | -127 | -12.1 | 0 | 0 | 0 | 109.2 | | |
| 2384 | N | 31.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 63% | 0.626 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -152.6 | 151.8 | 43.4 | -99.9 | -35.2 | 0 | 0 | 0 | 110.8 | | |
| 2385 | H | 31.1 | Very low | 29.6 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 65% | 0.653 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -143 | 161.9 | 10 | -101 | -64.7 | 0 | 0 | 0 | 111.5 | | |
| 2386 | N | 32.3 | Very low | 29.4 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | | | trans | 81.6 | 114.7 | 159.7 | -56.4 | -25.5 | 0 | 0 | 0 | 120 | | |
| 2387 | N | 31.3 | Very low | 29.6 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | | | trans | 62.2 | 103.3 | 148.6 | -63 | -28.8 | 0 | 0 | 0 | 118.2 | | |
| 2388 | K | 33.4 | Very low | 29.7 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | | 100.7 | 120.1 | 78.3 | -99 | -173.6 | 175.8 | -176.1 | 0 | 111.1 | | |
| 2389 | S | 32.4 | Very low | 29.7 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | | | | 86 | 131.3 | 97 | 179.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 2390 | L | 32.7 | Very low | 29.6 | Very low | 140 Ų | 140 | 129.2 Ų | 129.2 | 73% | 0.733 | 72% | 0.722 | S | S | * | * | | | cis | -152.9 | 142.7 | -6.9 | -95 | 163.9 | 0 | 0 | 0 | 105.3 | | |
| 2391 | I | 27.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 127.5 Ų | 127.5 | 67% | 0.672 | 72% | 0.721 | S | S | * | * | | | | 51.5 | 113.9 | 89.2 | -69.3 | -175.8 | 0 | 0 | 0 | 114.9 | | |
| 2392 | C | 26 | Very low | 29.7 | Very low | 107 Ų | 107 | 130 Ų | 130 | 72% | 0.723 | 73% | 0.727 | S | S | * | * | | | | 51.7 | 168.6 | 127.4 | -46.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 2393 | D | 30 | Very low | 29.9 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | | | cis | -157.3 | 179.2 | 28.9 | -133.4 | -42 | 0 | 0 | 0 | 115.6 | | |
| 2394 | F | 24.1 | Very low | 29.7 | Very low | 203 Ų | 203 | 128.1 Ų | 128.1 | 89% | 0.89 | 74% | 0.738 | S | S | * | * | | | trans | -68.5 | 157.3 | 176.8 | -71 | -111.9 | 0 | 0 | 0 | 113.3 | | |
| 2395 | G | 25.3 | Very low | 29.6 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | trans | 166.3 | 107 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 2396 | N | 27.9 | Very low | 29.6 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | 62.1 | 122.7 | 146 | -57.6 | -23.3 | 0 | 0 | 0 | 121.8 | | |
| 2397 | S | 31.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | | | trans | -53.5 | 161.3 | 157.7 | -22.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2398 | P | 32.2 | Very low | 29.4 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | | -150.8 | 168.1 | 63.5 | 41.8 | -22.7 | 0 | 0 | 0 | 118.8 | | |
| 2399 | N | 26.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | | | trans | 62.9 | 143 | 145.6 | -73.7 | -1.5 | 0 | 0 | 0 | 123.9 | | |
| 2400 | S | 27.8 | Very low | 29.2 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | 67.5 | 98.7 | 143.4 | 54.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 2401 | S | 30 | Very low | 29.1 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | | | | 86.8 | 127.4 | 111.7 | -55.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 2402 | N | 30.4 | Very low | 29.2 | Very low | 148 Ų | 148 | 118.5 Ų | 118.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | 55.1 | 88.5 | 139.6 | -61.1 | 3.8 | 0 | 0 | 0 | 116.7 | | |
| 2403 | S | 32.6 | Very low | 29.4 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | cis | 77.5 | 148.8 | 37.1 | -40.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 2404 | S | 27.3 | Very low | 29.4 | Very low | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | trans | 89.5 | 133.3 | -168 | -42 | 0 | 0 | 0 | 0 | 114.2 | | |
| 2405 | S | 29.1 | Very low | 29.5 | Very low | 109 Ų | 109 | 108.9 Ų | 108.9 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | 36.6 | 125.9 | 151.8 | 56.5 | 0 | 0 | 0 | 0 | 119.2 | | |
| 2406 | S | 31.7 | Very low | 29.9 | Very low | 114 Ų | 114 | 110.8 Ų | 110.8 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | | | cis | -178.5 | 165.8 | 42.6 | 40.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 2407 | A | 30.2 | Very low | 30 | Very low | 81 Ų | 81 | 108 Ų | 108 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | trans | 50.9 | 109.8 | 147.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 2408 | L | 29.7 | Very low | 30 | Very low | 183 Ų | 183 | 107.4 Ų | 107.4 | 96% | 0.958 | 73% | 0.729 | S | S | * | * | | | trans | 69.8 | 144.2 | 135.3 | -57.1 | 171 | 0 | 0 | 0 | 120 | | |
| 2409 | G | 29.8 | Very low | 30 | Very low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | | | trans | -171.3 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 2410 | G | 30.3 | Very low | 30.1 | Very low | 75 Ų | 75 | 108.3 Ų | 108.3 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | | | trans | 73.7 | -174.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2411 | V | 30.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 107.3 Ų | 107.3 | 79% | 0.794 | 72% | 0.72 | S | S | * | * | | | cis | -162 | 173.7 | -15.3 | -105.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 2412 | T | 30.5 | Very low | 30.3 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 59% | 0.589 | 71% | 0.708 | S | S | * | * | | | trans | 72.8 | 153.4 | 173.3 | 81.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 2413 | S | 29.9 | Very low | 30.3 | Very low | 93 Ų | 93 | 101.8 Ų | 101.8 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | | | cis | -158.4 | 165.4 | -6.1 | 23.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 2414 | S | 31.2 | Very low | 30.2 | Very low | 87 Ų | 87 | 101.8 Ų | 101.8 | 61% | 0.608 | 70% | 0.7 | S | S | * | * | | | cis | -160.9 | -180 | -7.8 | 43 | 0 | 0 | 0 | 0 | 106.8 | | |
| 2415 | S | 25.6 | Very low | 30.3 | Very low | 65 Ų | 65 | 104 Ų | 104 | 46% | 0.455 | 70% | 0.702 | S | S | . | * | | | trans | -136 | 144.9 | 170.3 | 49.4 | 0 | 0 | 0 | 0 | 112.7 | N603 | N603-S2415 PolarHBondContact ND2-O 3.08Å; N603-S2415 VanDerWaalsContact ND2-O 3.17Å; N603-S2415 PolarHBondContact ND2-OG 3.43Å |
| 2416 | S | 32.9 | Very low | 30.2 | Very low | 105 Ų | 105 | 105 Ų | 105 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | | | trans | -142.2 | 92.9 | -175.8 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 2417 | S | 30 | Very low | 30.3 | Very low | 109 Ų | 109 | 104.9 Ų | 104.9 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | | | trans | 52 | 127.3 | 145.9 | 59.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 2418 | S | 32.4 | Very low | 30.2 | Very low | 100 Ų | 100 | 107 Ų | 107 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | | | trans | 103.4 | 96.2 | 130.2 | 68.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 2419 | H | 31.2 | Very low | 30 | Very low | 177 Ų | 177 | 102.8 Ų | 102.8 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | | | | 68.9 | 142.3 | 129.9 | -70.9 | 99 | 0 | 0 | 0 | 122.8 | | |
| 2420 | S | 29.2 | Very low | 29.9 | Very low | 104 Ų | 104 | 103.7 Ų | 103.7 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | | | trans | 65.8 | 131.8 | 160.8 | 39.6 | 0 | 0 | 0 | 0 | 117.9 | | |
| 2421 | T | 30.2 | Very low | 29.7 | Very low | 79 Ų | 79 | 106.5 Ų | 106.5 | 49% | 0.485 | 69% | 0.686 | S | S | . | * | | | cis | -166 | 113.9 | -3.1 | 21 | 0 | 0 | 0 | 0 | 112.4 | S2468 P2469 | T2421-S2468 WeakPolarHBondContact CB-O 3.47Å; T2421-S2468 PolarHBondContact OG1-O 2.85Å; T2421-P2469 CarbonylContact C-O 3.54Å; T2421-P2469 VanDerWaalsContact CA-O 3.23Å; T2421-P2469 WeakPolarHBondContact CA-O 3.37Å; T2421-P2469 WeakPolarHBondContact CB-O 2.87Å; T2421-P2469 WeakPolarHBondContact CG2-O 3.17Å; T2421-P2469 WeakPolarHBondContact O-CD 3.38Å |
| 2422 | G | 31.7 | Very low | 29.6 | Very low | 45 Ų | 45 | 104.4 Ų | 104.4 | 46% | 0.464 | 68% | 0.678 | S | S | . | * | | | trans | 63.4 | 161.8 | 134.7 | 0 | 0 | 0 | 0 | 0 | 130.2 | P2469 S2470 | G2422-P2469 VanDerWaalsContact CA-O 3.27Å; G2422-P2469 WeakPolarHBondContact CA-O 3.16Å; G2422-P2469 PolarHBondContact N-O 3.22Å; G2422-P2469 VanDerWaalsContact N-O 3.16Å; G2422-P2469 WeakPolarHBondContact O-CD 3.31Å; G2422-S2470 WeakPolarHBondContact CA-OG 3.38Å; G2422-S2470 PolarHBondContact N-OG 2.7Å; G2422-S2470 VanDerWaalsContact N-OG 3.11Å |
| 2423 | S | 30.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 109.7 Ų | 109.7 | 63% | 0.629 | 69% | 0.693 | S | S | * | * | | | trans | 63.5 | 98.3 | 157.6 | -62.4 | 0 | 0 | 0 | 0 | 124.3 | P2469 | S2423-P2469 VanDerWaalsContact CB-CG 3.45Å; S2423-P2469 VanDerWaalsContact OG-CG 3.28Å; S2423-P2469 WeakPolarHBondContact OG-CG 3.41Å |
| 2424 | S | 30.6 | Very low | 29.6 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | | | | 66.2 | 114.8 | 127.2 | -159.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 2425 | L | 28.1 | Very low | 29.3 | Very low | 157 Ų | 157 | 111.5 Ų | 111.5 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | | -178.6 | 166.7 | 102 | -97.5 | 174.4 | 0 | 0 | 0 | 113.6 | | |
| 2426 | V | 28.8 | Very low | 29.5 | Very low | 130 Ų | 130 | 114.2 Ų | 114.2 | 79% | 0.788 | 72% | 0.72 | S | S | * | * | | | trans | 78.7 | 129.6 | 167.4 | -164 | 0 | 0 | 0 | 0 | 117.4 | | |
| 2427 | P | 33.6 | Very low | 29.2 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -104.2 | -178.4 | 176.8 | 39.5 | -32 | 0 | 0 | 0 | 113.2 | | |
| 2428 | V | 27.9 | Very low | 29 | Very low | 124 Ų | 124 | 116 Ų | 116 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | | | | 171.7 | 118.1 | 125.1 | 153.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 2429 | S | 25.4 | Very low | 28.7 | Very low | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 70% | 0.701 | S | S | * | * | | | trans | 61.1 | 132.9 | 149.2 | 71.9 | 0 | 0 | 0 | 0 | 125.6 | | |
| 2430 | S | 26.8 | Very low | 28.5 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 67% | 0.671 | 70% | 0.699 | S | S | * | * | | | | 92 | 125.8 | 125.8 | 56.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 2431 | T | 25.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | | | trans | 69.1 | 142.5 | 147.4 | 49.2 | 0 | 0 | 0 | 0 | 120 | | |
| 2432 | S | 28.2 | Very low | 28.1 | Very low | 88 Ų | 88 | 115 Ų | 115 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | | | cis | -171.8 | 170.6 | -10.3 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 2433 | F | 29.8 | Very low | 27.8 | Very low | 207 Ų | 207 | 116.1 Ų | 116.1 | 91% | 0.908 | 68% | 0.68 | S | S | * | * | | | trans | 70.1 | 150.9 | 165.3 | -69.8 | -76.2 | 0 | 0 | 0 | 120.3 | | |
| 2434 | G | 30.6 | Very low | 27.7 | Very low | 72 Ų | 72 | 114 Ų | 114 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | | | trans | 137.7 | 82.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 2435 | D | 26.1 | Very low | 27.6 | Very low | 146 Ų | 146 | 114 Ų | 114 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | | | trans | -70.5 | 159.8 | -177.3 | -52.6 | -83.8 | 0 | 0 | 0 | 115.6 | | |
| 2436 | T | 30 | Very low | 27.9 | Very low | 122 Ų | 122 | 109.4 Ų | 109.4 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | | | | 154.7 | 97.5 | 121.4 | -63.8 | 0 | 0 | 0 | 0 | 115.4 | | |
| 2437 | F | 26.6 | Very low | 27.8 | Very low | 180 Ų | 180 | 111.6 Ų | 111.6 | 79% | 0.789 | 66% | 0.661 | S | S | * | * | | | trans | 54.2 | 109.5 | 141.7 | -73.7 | -89.7 | 0 | 0 | 0 | 124.8 | | |
| 2438 | S | 26.2 | Very low | 27.6 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 49% | 0.49 | 66% | 0.663 | S | S | . | * | | | | 104.5 | 94.1 | 110.1 | -150.6 | 0 | 0 | 0 | 0 | 123.7 | S594 | S594-S2438 WeakPolarHBondContact CB-O 3.35Å; S594-S2438 PolarHBondContact OG-O 3.04Å |
| 2439 | C | 24.8 | Very low | 27.9 | Very low | 78 Ų | 78 | 111 Ų | 111 | 53% | 0.527 | 67% | 0.665 | S | S | . | * | | | | 79.1 | 101.3 | 122.8 | -63.5 | 0 | 0 | 0 | 0 | 123.9 | S593 S594 | S593-C2439 WeakPolarHBondContact CB-O 3.01Å; S593-C2439 PolarHBondContact OG-O 3.27Å; S594-C2439 PolarHBondContact OG-N 2.61Å; S594-C2439 PolarHBondContact OG-O 3.02Å |
| 2440 | R | 27.2 | Very low | 28.2 | Very low | 206 Ų | 206 | 112.7 Ų | 112.7 | 78% | 0.777 | 67% | 0.671 | S | S | * | * | | | trans | 74 | -172.3 | 158.7 | -50 | -176.2 | 179.9 | 177.9 | -0.1 | 112.7 | S593 S594 | S593-R2440 CarbonylContact C-O 3.23Å; S593-R2440 VanDerWaalsContact CB-O 3.31Å; S593-R2440 WeakPolarHBondContact CB-O 3.4Å; S593-R2440 CarbonylContact O-C 3.49Å; S593-R2440 VanDerWaalsContact O-O 3.12Å; S593-R2440 VanDerWaalsContact OG-C 3.26Å; S593-R2440 PolarHBondContact OG-O 3.06Å; S594-R2440 PolarHBondContact N-O 2.91Å; S594-R2440 PolarHBondContact OG-N 3.13Å; S594-R2440 PolarHBondContact OG-O 3.49Å |
| 2441 | S | 26 | Very low | 28.2 | Very low | 41 Ų | 41 | 116.2 Ų | 116.2 | 29% | 0.287 | 68% | 0.677 | S | S | . | * | | | cis | -156.2 | 137.1 | 7 | -152.3 | 0 | 0 | 0 | 0 | 117.4 | R518 S593 | R518-S2441 PolarHBondContact NH2-O 3.35Å; S593-S2441 PolarHBondContact O-N 2.79Å; S593-S2441 VanDerWaalsContact O-N 3.08Å |
| 2442 | M | 25.5 | Very low | 28.3 | Very low | 114 Ų | 114 | 113.5 Ų | 113.5 | 56% | 0.562 | 68% | 0.675 | S | S | * | * | | | trans | 59.3 | 96.5 | 150.5 | -67.4 | 176.2 | 108.1 | 0 | 0 | 122.7 | L517 R518 | L517-M2442 HydrophobicContact CD1-CE 4.27Å; L517-M2442 HydrophobicContact CD2-CE 3.73Å; L517-M2442 HydrophobicContact CD2-SD 4.4Å; R518-M2442 WeakPolarHBondContact CD-O 3.31Å; R518-M2442 PolarHBondContact NE-O 3.15Å; R518-M2442 PolarHBondContact NH2-O 3.32Å |
| 2443 | T | 25.6 | Very low | 28.3 | Very low | 69 Ų | 69 | 113.2 Ų | 113.2 | 42% | 0.423 | 69% | 0.687 | S | S | . | * | | | | 84.1 | 160.2 | 117.4 | 72.3 | 0 | 0 | 0 | 0 | 125.1 | L517 R518 | L517-T2443 WeakPolarHBondContact CB-OG1 3.49Å; L517-T2443 HydrophobicContact CD1-CG2 3.87Å; R518-T2443 WeakPolarHBondContact CD-O 3.07Å |
| 2444 | S | 27.9 | Very low | 28.4 | Very low | 46 Ų | 46 | 107.4 Ų | 107.4 | 32% | 0.322 | 69% | 0.685 | S | S | . | * | | | trans | 58.8 | 138.3 | 137 | 61.4 | 0 | 0 | 0 | 0 | 121 | L517 R518 | L517-S2444 WeakPolarHBondContact CB-OG 3.41Å; R518-S2444 PolarHBondContact N-OG 2.67Å |
| 2445 | S | 29.5 | Very low | 28.2 | Very low | 108 Ų | 108 | 107.4 Ų | 107.4 | 76% | 0.755 | 69% | 0.685 | S | S | * | * | | | cis | -163.6 | 153.2 | 1.2 | -100.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 2446 | G | 32.6 | Very low | 28.3 | Very low | 60 Ų | 60 | 107.6 Ų | 107.6 | 62% | 0.619 | 69% | 0.691 | S | S | * | * | | | | 114.8 | 117 | 114.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 2447 | I | 27 | Very low | 28.5 | Very low | 176 Ų | 176 | 106.5 Ų | 106.5 | 90% | 0.903 | 70% | 0.695 | S | S | * | * | | | trans | 65.2 | 161 | 135.2 | 71 | 168.3 | 0 | 0 | 0 | 118.1 | | |
| 2448 | S | 31 | Very low | 28.5 | Very low | 110 Ų | 110 | 104.2 Ų | 104.2 | 77% | 0.769 | 70% | 0.695 | S | S | * | * | | | cis | -147.4 | -178.7 | 20.4 | 63.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 2449 | S | 32.9 | Very low | 28.7 | Very low | 112 Ų | 112 | 105.7 Ų | 105.7 | 78% | 0.783 | 71% | 0.705 | S | S | * | * | | | trans | -55.9 | 153.1 | -171.3 | -42.3 | 0 | 0 | 0 | 0 | 117.9 | | |
| 2450 | V | 32.2 | Very low | 29.1 | Very low | 132 Ų | 132 | 109.7 Ų | 109.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | | | trans | -45.7 | 139.1 | 146.2 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 2451 | E | 26.8 | Very low | 29.2 | Very low | 169 Ų | 169 | 107.7 Ų | 107.7 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | | | | -171 | 148.3 | 74.4 | -170.9 | 167.5 | -123.9 | 0 | 0 | 113.4 | | |
| 2452 | G | 28 | Very low | 29.5 | Very low | 77 Ų | 77 | 111.8 Ų | 111.8 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | 118.8 | 114.1 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 2453 | G | 28.9 | Very low | 29.8 | Very low | 83 Ų | 83 | 114.1 Ų | 114.1 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | 122.9 | 118.5 | 142.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 2454 | G | 30.1 | Very low | 30.1 | Very low | 84 Ų | 84 | 117.5 Ų | 117.5 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | | | trans | 67.2 | 95.8 | 143.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 2455 | G | 28 | Very low | 30.2 | Very low | 73 Ų | 73 | 120 Ų | 120 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | -85.9 | -150.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 2456 | V | 28.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 120.1 Ų | 120.1 | 91% | 0.909 | 78% | 0.783 | S | S | * | * | | | trans | 71.9 | 91.3 | 175.1 | -167.2 | 0 | 0 | 0 | 0 | 115.7 | | |
| 2457 | A | 33.5 | Very low | 30 | Very low | 99 Ų | 99 | 122.8 Ų | 122.8 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | | -149.8 | 143.8 | 118.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 2458 | V | 26.9 | Very low | 30.1 | Very low | 132 Ų | 132 | 118.5 Ų | 118.5 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | | | trans | -123.3 | 166 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 2459 | S | 30.1 | Very low | 30.4 | Very low | 100 Ų | 100 | 115.4 Ų | 115.4 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | 95.7 | 141.4 | 171.4 | -33.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 2460 | D | 32.4 | Very low | 30.2 | Very low | 163 Ų | 163 | 113 Ų | 113 | 87% | 0.872 | 74% | 0.737 | S | S | * | * | | | cis | -126.2 | 171 | 17 | -110.7 | -49.8 | 0 | 0 | 0 | 117.2 | | |
| 2461 | M | 30.2 | Very low | 30.1 | Very low | 164 Ų | 164 | 113.6 Ų | 113.6 | 81% | 0.808 | 74% | 0.736 | S | S | * | * | | | trans | -99.9 | -175.2 | -161.2 | -158.2 | 178.5 | 131.1 | 0 | 0 | 112.8 | | |
| 2462 | I | 32.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 65% | 0.651 | 73% | 0.734 | S | S | * | * | | | trans | 93.5 | 100.9 | 151.9 | -68.3 | 161.5 | 0 | 0 | 0 | 119.3 | | |
| 2463 | E | 30.9 | Very low | 30.6 | Very low | 162 Ų | 162 | 115.2 Ų | 115.2 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | | | | 84.5 | 119.3 | 128.7 | -69.9 | -173.7 | 161.2 | 0 | 0 | 125.5 | | |
| 2464 | L | 32.2 | Very low | 30.8 | Very low | 141 Ų | 141 | 115.9 Ų | 115.9 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | | | | 80.9 | 99.9 | 130 | -65.9 | 170.6 | 0 | 0 | 0 | 122.1 | | |
| 2465 | S | 30.4 | Very low | 30.7 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 69% | 0.692 | 71% | 0.711 | S | S | * | * | | | | 105.1 | 123.6 | 122.9 | -61.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 2466 | S | 29.3 | Very low | 30.8 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | 69.2 | 102.6 | 152.4 | 41.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 2467 | C | 28.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 121.6 Ų | 121.6 | 78% | 0.784 | 70% | 0.696 | S | S | * | * | | | | 88 | 72.7 | 126.9 | -62.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 2468 | S | 28.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 122.7 Ų | 122.7 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | | | | 75.9 | 164.7 | 121.5 | -50.6 | 0 | 0 | 0 | 0 | 119.8 | T2421 | T2421-S2468 WeakPolarHBondContact CB-O 3.47Å; T2421-S2468 PolarHBondContact OG1-O 2.85Å |
| 2469 | P | 37.3 | Very low | 30.6 | Very low | 44 Ų | 44 | 121.9 Ų | 121.9 | 29% | 0.286 | 68% | 0.68 | S | S | . | * | | | | -135.4 | -160.8 | -59.3 | 41.3 | -25.8 | 0 | 0 | 0 | 113.9 | T2421 G2422 S2423 | T2421-P2469 CarbonylContact C-O 3.54Å; T2421-P2469 VanDerWaalsContact CA-O 3.23Å; T2421-P2469 WeakPolarHBondContact CA-O 3.37Å; T2421-P2469 WeakPolarHBondContact CB-O 2.87Å; T2421-P2469 WeakPolarHBondContact CG2-O 3.17Å; T2421-P2469 WeakPolarHBondContact O-CD 3.38Å; G2422-P2469 VanDerWaalsContact CA-O 3.27Å; G2422-P2469 WeakPolarHBondContact CA-O 3.16Å; G2422-P2469 PolarHBondContact N-O 3.22Å; G2422-P2469 VanDerWaalsContact N-O 3.16Å; G2422-P2469 WeakPolarHBondContact O-CD 3.31Å; S2423-P2469 VanDerWaalsContact CB-CG 3.45Å; S2423-P2469 VanDerWaalsContact OG-CG 3.28Å; S2423-P2469 WeakPolarHBondContact OG-CG 3.41Å |
| 2470 | S | 28.9 | Very low | 30.3 | Very low | 61 Ų | 61 | 123 Ų | 123 | 43% | 0.427 | 68% | 0.678 | S | S | . | * | | | trans | 75.2 | 142.8 | -179.7 | 77.3 | 0 | 0 | 0 | 0 | 116.2 | G2422 | G2422-S2470 WeakPolarHBondContact CA-OG 3.38Å; G2422-S2470 PolarHBondContact N-OG 2.7Å; G2422-S2470 VanDerWaalsContact N-OG 3.11Å |
| 2471 | D | 29 | Very low | 30 | Very low | 146 Ų | 146 | 119.1 Ų | 119.1 | 78% | 0.781 | 66% | 0.657 | S | S | * | * | | | cis | -156.8 | 173 | -1.8 | -122.6 | -23 | 0 | 0 | 0 | 113.1 | | |
| 2472 | E | 34.3 | Very low | 29.8 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 76% | 0.757 | 65% | 0.653 | S | S | * | * | | | trans | 69.5 | 146.8 | 158.8 | -76.6 | -150.4 | -140.1 | 0 | 0 | 120.8 | | |
| 2473 | N | 31.2 | Very low | 29.5 | Very low | 117 Ų | 117 | 117.3 Ų | 117.3 | 63% | 0.626 | 66% | 0.656 | S | S | * | * | | | cis | -167.5 | 163 | -21 | -141.2 | -26.6 | 0 | 0 | 0 | 113.1 | | |
| 2474 | C | 33.5 | Very low | 29.3 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 66% | 0.655 | 66% | 0.661 | S | S | * | * | | | trans | 65.1 | 158.3 | 152.8 | -73.1 | 0 | 0 | 0 | 0 | 119.1 | | |
| 2475 | V | 28.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 119.1 Ų | 119.1 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | | | cis | -163.1 | 160.4 | 13 | 109.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 2476 | N | 29.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 123 Ų | 123 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | | | cis | -171.9 | 121.7 | -31.8 | -102.9 | 1.7 | 0 | 0 | 0 | 113.2 | | |
| 2477 | Y | 25.7 | Very low | 29.2 | Very low | 192 Ų | 192 | 122.7 Ų | 122.7 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | | | trans | 63.9 | 169.9 | 149.7 | -66.4 | -95.2 | 0 | 0 | 0 | 120.3 | | |
| 2478 | T | 29.9 | Very low | 29.2 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | | | cis | -166 | 169.1 | 18.1 | -10.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 2479 | Q | 28 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 54% | 0.537 | 68% | 0.682 | S | S | . | * | | | cis | 179.5 | 179.5 | -39.2 | -162.4 | 178.9 | 1.2 | 0 | 0 | 108.3 | S2264 | S2264-Q2479 VanDerWaalsContact O-CG 3.23Å; S2264-Q2479 WeakPolarHBondContact O-CG 3.11Å |
| 2480 | I | 24.4 | Very low | 29.1 | Very low | 125 Ų | 125 | 131 Ų | 131 | 64% | 0.641 | 71% | 0.706 | S | S | * | * | | | trans | 78.1 | 139.5 | 158.9 | -82.4 | 167.9 | 0 | 0 | 0 | 117.9 | D2265 | D2265-I2480 CarbonylContact O-C 3.55Š|
| 2481 | D | 27 | Very low | 29.3 | Very low | 81 Ų | 81 | 134.9 Ų | 134.9 | 43% | 0.433 | 72% | 0.722 | S | S | . | * | | | cis | -169.2 | 175.4 | -13.2 | -175.6 | 24 | 0 | 0 | 0 | 110.3 | A2266 | A2266-D2481 VanDerWaalsContact CB-O 3.28Å; A2266-D2481 WeakPolarHBondContact CB-O 3.19Å |
| 2482 | F | 24.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 74% | 0.737 | 72% | 0.723 | S | S | * | * | | | trans | 96.9 | 114.6 | 162.9 | -86.7 | -76.1 | 0 | 0 | 0 | 122.6 | | |
| 2483 | A | 27.6 | Very low | 29 | Very low | 85 Ų | 85 | 128 Ų | 128 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | | | trans | 89.2 | 78.6 | 136 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 2484 | R | 26.9 | Very low | 29 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.875 | 72% | 0.721 | S | S | * | * | | | | 43.2 | 114.1 | 126.8 | -173.8 | -145.3 | -59.3 | 178 | 5.2 | 118.8 | | |
| 2485 | T | 29 | Very low | 28.8 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | | -179.7 | 123.7 | 119.9 | -77.1 | 0 | 0 | 0 | 0 | 114 | | |
| 2486 | M | 28.9 | Very low | 28.9 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 89% | 0.892 | 73% | 0.728 | S | S | * | * | | | trans | 57.5 | 152.9 | 162.3 | -68.7 | -169.7 | -58.4 | 0 | 0 | 120.7 | | |
| 2487 | A | 30.8 | Very low | 29.2 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 85% | 0.851 | 74% | 0.736 | S | S | * | * | | | trans | -100.3 | 163 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 2488 | L | 28.5 | Very low | 29.5 | Very low | 185 Ų | 185 | 132 Ų | 132 | 97% | 0.969 | 74% | 0.737 | S | S | * | * | | | trans | -83 | 164.5 | 177.9 | -73.8 | 163.7 | 0 | 0 | 0 | 113.4 | | |
| 2489 | G | 32.7 | Very low | 29.6 | Very low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 72% | 0.722 | S | S | * | * | | | trans | 173.3 | 93.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 2490 | E | 31.5 | Very low | 29.7 | Very low | 173 Ų | 173 | 128.9 Ų | 128.9 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | | | | 82.2 | 127.8 | 91.9 | -84.5 | -175.2 | -164.2 | 0 | 0 | 113.5 | | |
| 2491 | L | 33.3 | Very low | 30.2 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 70% | 0.704 | S | S | * | * | | | cis | -144.4 | 163.8 | 17.3 | -88.9 | 119.9 | 0 | 0 | 0 | 112.1 | | |
| 2492 | S | 26.6 | Very low | 30.4 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 71% | 0.708 | S | S | * | * | | | trans | -102.6 | 174.5 | 160.7 | -170 | 0 | 0 | 0 | 0 | 110.3 | | |
| 2493 | G | 31 | Very low | 30.6 | Very low | 50 Ų | 50 | 125 Ų | 125 | 52% | 0.515 | 70% | 0.7 | S | S | . | * | | | trans | 85.6 | 149.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 2494 | D | 30.7 | Very low | 30.6 | Very low | 156 Ų | 156 | 128.7 Ų | 128.7 | 83% | 0.834 | 70% | 0.702 | S | S | * | * | | | cis | -133.8 | 143 | -1.1 | -60.8 | -49.7 | 0 | 0 | 0 | 108.4 | | |
| 2495 | I | 30.5 | Very low | 30.7 | Very low | 137 Ų | 137 | 127 Ų | 127 | 70% | 0.703 | 70% | 0.701 | S | S | * | * | | | cis | 83.6 | 91.6 | 36 | -58.1 | 171.2 | 0 | 0 | 0 | 113.5 | | |
| 2496 | M | 30.3 | Very low | 30.6 | Very low | 175 Ų | 175 | 129.2 Ų | 129.2 | 86% | 0.862 | 71% | 0.708 | S | S | * | * | | | | 177.7 | 169.6 | 119.2 | -88.6 | -131.5 | -80 | 0 | 0 | 112.6 | | |
| 2497 | A | 35 | Very low | 30.8 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 75% | 0.752 | 70% | 0.699 | S | S | * | * | | | trans | 68.5 | 113.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 2498 | Q | 32.2 | Very low | 30.6 | Very low | 166 Ų | 166 | 125 Ų | 125 | 78% | 0.776 | 69% | 0.687 | S | S | * | * | | | cis | 75.8 | 113.3 | 33.9 | -152.6 | -175.7 | -11.7 | 0 | 0 | 111.3 | | |
| 2499 | E | 32.8 | Very low | 30.6 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 44% | 0.439 | 68% | 0.681 | S | S | . | * | | | cis | -150.4 | 133.3 | 1.3 | -102.6 | 174.8 | 81.6 | 0 | 0 | 112.9 | S2302 I2303 | S2302-E2499 CarbonylContact C-O 3.53Å; S2302-E2499 VanDerWaalsContact C-O 3.23Å; S2302-E2499 WeakPolarHBondContact O-CB 3.45Å; I2303-E2499 PolarHBondContact N-O 3.33Å |
| 2500 | N | 30.2 | Very low | 30.8 | Very low | 78 Ų | 78 | 123.3 Ų | 123.3 | 42% | 0.417 | 68% | 0.681 | S | S | . | * | | | trans | 71.8 | -175.3 | 136 | -57.6 | -35.2 | 0 | 0 | 0 | 119.1 | N2301 I2303 | N2301-N2500 VanDerWaalsContact CA-ND2 3.34Å; N2301-N2500 WeakPolarHBondContact CA-ND2 3.25Å; N2301-N2500 HydrophobicContact CB-CB 3.82Å; N2301-N2500 VanDerWaalsContact ND2-CB 3.32Å; N2301-N2500 WeakPolarHBondContact ND2-CB 3.47Å; N2301-N2500 PolarHBondContact ND2-ND2 3.3Å; N2301-N2500 PolarHBondContact ND2-OD1 2.8Å; I2303-N2500 WeakPolarHBondContact CB-O 3.43Å; I2303-N2500 WeakPolarHBondContact CD1-O 3.37Å; I2303-N2500 WeakPolarHBondContact CG1-O 3.3Å |
| 2501 | Q | 33.7 | Very low | 30.9 | Very low | 80 Ų | 80 | 122 Ų | 122 | 37% | 0.374 | 68% | 0.684 | S | S | . | * | | | cis | -158 | 166.9 | 11.1 | 140.6 | 131.1 | -83.1 | 0 | 0 | 108.6 | N2301 S2302 I2303 | N2301-Q2501 HydrophobicContact CB-CB 3.97Å; N2301-Q2501 HydrophobicContact CB-CG 4.49Å; N2301-Q2501 VanDerWaalsContact O-CD 3.3Å; N2301-Q2501 PolarHBondContact O-NE2 3.11Å; N2301-Q2501 PolarHBondContact O-OE1 3.18Å; N2301-Q2501 WeakPolarHBondContact OD1-CA 3.25Å; S2302-Q2501 PolarHBondContact OG-NE2 3.31Å; I2303-Q2501 HydrophobicContact CB-CB 3.94Å; I2303-Q2501 HydrophobicContact CG2-CB 3.62Å; I2303-Q2501 HydrophobicContact CG2-CG 3.81Å |
| 2502 | M | 30.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 118.2 Ų | 118.2 | 51% | 0.512 | 68% | 0.68 | S | S | . | * | | | cis | 121.1 | 100.8 | 2.9 | -99.1 | -72.2 | 113.2 | 0 | 0 | 118.1 | K2300 N2301 | K2300-M2502 PolarHBondContact NZ-SD 3.23Å; N2301-M2502 HydrophobicContact CB-CB 4.41Å; N2301-M2502 WeakPolarHBondContact OD1-CB 3.39Å; N2301-M2502 WeakPolarHBondContact OD1-CG 3.01Å |
| 2503 | L | 28.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 120.1 Ų | 120.1 | 57% | 0.571 | 68% | 0.68 | S | S | * | * | | | trans | 91 | 128.7 | 146.9 | -82.4 | 170.7 | 0 | 0 | 0 | 125 | | |
| 2504 | H | 27.4 | Very low | 31.1 | Very low | 161 Ų | 161 | 126.2 Ų | 126.2 | 75% | 0.745 | 69% | 0.687 | S | S | * | * | | | trans | 69 | 138.4 | 166 | -61.6 | -58.5 | 0 | 0 | 0 | 116 | | |
| 2505 | K | 30.1 | Very low | 31.3 | Very low | 197 Ų | 197 | 123.6 Ų | 123.6 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | | | cis | -148.6 | 159.2 | 27.8 | -133.5 | 162.3 | -172 | 175.3 | 0 | 112.8 | | |
| 2506 | L | 27.5 | Very low | 31.3 | Very low | 155 Ų | 155 | 119.5 Ų | 119.5 | 81% | 0.812 | 66% | 0.659 | S | S | * | * | | | trans | -64.2 | 166.2 | 160.7 | -96.7 | 85 | 0 | 0 | 0 | 110.7 | | |
| 2507 | P | 32.3 | Very low | 31.4 | Very low | 108 Ų | 108 | 118.1 Ų | 118.1 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | | | cis | -155.1 | -179.2 | 40.9 | 40.8 | -17.4 | 0 | 0 | 0 | 120.9 | | |
| 2508 | S | 27 | Very low | 31.1 | Very low | 88 Ų | 88 | 124.1 Ų | 124.1 | 62% | 0.615 | 66% | 0.658 | S | S | * | * | | | trans | 78.9 | 141.2 | 135.5 | 60 | 0 | 0 | 0 | 0 | 124.2 | | |
| 2509 | T | 29.2 | Very low | 31 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 66% | 0.657 | S | S | * | * | | | trans | 69.8 | 140 | 148.5 | 38.3 | 0 | 0 | 0 | 0 | 119.5 | | |
| 2510 | A | 35.3 | Very low | 30.9 | Very low | 75 Ų | 75 | 126.3 Ų | 126.3 | 62% | 0.62 | 67% | 0.671 | S | S | * | * | | | cis | -156.6 | 164.5 | -3.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 2511 | T | 33.6 | Very low | 31 | Very low | 144 Ų | 144 | 128 Ų | 128 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | | | trans | 34.5 | 132 | 148.3 | 52.6 | 0 | 0 | 0 | 0 | 121.3 | | |
| 2512 | G | 32.7 | Very low | 31 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 71% | 0.71 | S | S | * | * | | | cis | 147 | -178.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 2513 | I | 33.9 | Very low | 31 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | | | trans | 70.2 | 148.5 | 167.8 | -56.5 | 174.2 | 0 | 0 | 0 | 114.8 | | |
| 2514 | R | 29 | Very low | 31.2 | Very low | 179 Ų | 179 | 130.3 Ų | 130.3 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | | | cis | 172.5 | 157.4 | -41.5 | -112.2 | -170.3 | -161.8 | -158.5 | 8.3 | 107.1 | S959 | S959-R2514 WeakPolarHBondContact CB-O 3.45Å; S959-R2514 VanDerWaalsContact OG-C 3.32Å; S959-R2514 PolarHBondContact OG-O 3.3Å |
| 2515 | I | 35.3 | Very low | 31.5 | Very low | 101 Ų | 101 | 130 Ų | 130 | 52% | 0.518 | 74% | 0.738 | S | S | . | * | | | trans | 68.8 | 169 | 151.9 | -68.9 | 162.5 | 0 | 0 | 0 | 116.2 | S959 T961 | S959-I2515 WeakPolarHBondContact CB-O 3.37Å; S959-I2515 PolarHBondContact OG-N 3.16Å; S959-I2515 PolarHBondContact OG-O 3Å; T961-I2515 HydrophobicContact CG2-CG2 4.18Å |
| 2516 | A | 30.7 | Very low | 31.5 | Very low | 51 Ų | 51 | 127.7 Ų | 127.7 | 42% | 0.421 | 73% | 0.728 | S | S | . | * | | | | -166.3 | 166.2 | -71.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 2517 | N | 31 | Very low | 31.8 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | | | trans | 64.1 | 137.8 | 164.3 | -56.9 | -24.9 | 0 | 0 | 0 | 117.7 | | |
| 2518 | R | 29.7 | Very low | 31.8 | Very low | 216 Ų | 216 | 124 Ų | 124 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | | | cis | 93.8 | 96.4 | 20.5 | -168.7 | -162.7 | -162.5 | -161.2 | 7.3 | 115.2 | | |
| 2519 | W | 30.6 | Very low | 32.1 | Very low | 202 Ų | 202 | 128.3 Ų | 128.3 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | | | trans | -160.1 | 122.8 | 137.5 | -82.9 | -35.3 | 0 | 0 | 0 | 107.5 | | |
| 2520 | S | 30.9 | Very low | 32.3 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | | | | 71.7 | 113.6 | 82.6 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 2521 | S | 32.3 | Very low | 32.2 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | | | | -149.2 | 163.6 | 72.3 | 51.9 | 0 | 0 | 0 | 0 | 115.7 | | |
| 2522 | S | 32.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | 53.9 | 124.9 | 160.1 | -57.1 | 0 | 0 | 0 | 0 | 120.7 | | |
| 2523 | S | 31.4 | Very low | 32.1 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | | | cis | -160.4 | 154.4 | -10.4 | 53.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 2524 | S | 33.2 | Very low | 32 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | 66.3 | 151.2 | -177.3 | 76.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 2525 | N | 33 | Very low | 32.1 | Very low | 156 Ų | 156 | 135 Ų | 135 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | | | trans | -121.9 | 167.4 | -151.7 | -85.9 | -39.3 | 0 | 0 | 0 | 116.7 | | |
| 2526 | K | 29.8 | Very low | 31.7 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 64% | 0.643 | 74% | 0.736 | S | S | * | * | | | trans | -113.8 | 172 | 170.4 | -45.2 | -178 | 171.2 | -173.5 | 0 | 110.3 | C998 | C998-K2526 HydrophobicContact CB-CB 3.5Å; C998-K2526 HydrophobicContact CB-CD 4.04Å; C998-K2526 HydrophobicContact CB-CG 3.5Å; C998-K2526 VanDerWaalsContact CB-CG 3.5Å; C998-K2526 WeakPolarHBondContact SG-CD 3.4Å; C998-K2526 VanDerWaalsContact SG-CE 3.52Å; C998-K2526 VanDerWaalsContact SG-CG 3.54Å |
| 2527 | I | 34.5 | Very low | 31.5 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 54% | 0.538 | 76% | 0.756 | S | S | . | * | | | trans | -174.4 | 128 | 136.6 | -96 | 147.2 | 0 | 0 | 0 | 112.7 | V999 T1000 S1001 | V999-I2527 CarbonylContact C-O 3.45Å; V999-I2527 CarbonylContact O-C 3.03Å; V999-I2527 PolarHBondContact O-N 2.84Å; T1000-I2527 CarbonylContact C-O 3.5Å; T1000-I2527 VanDerWaalsContact CA-O 3.23Å; T1000-I2527 WeakPolarHBondContact CA-O 3.17Å; T1000-I2527 WeakPolarHBondContact CB-O 3.32Å; T1000-I2527 PolarHBondContact N-O 3.29Å; T1000-I2527 VanDerWaalsContact N-O 3.1Å; T1000-I2527 PolarHBondContact OG1-O 2.81Å; S1001-I2527 WeakPolarHBondContact OG-CG2 3.25Å |
| 2528 | D | 31.9 | Very low | 31.3 | Very low | 79 Ų | 79 | 139.5 Ų | 139.5 | 42% | 0.422 | 75% | 0.752 | S | S | . | * | S | Bend | trans | 48.7 | 124.4 | 162.2 | -158 | 44.5 | 0 | 0 | 0 | 119.4 | V999 T1000 | V999-D2528 WeakPolarHBondContact CG1-O 3.42Å; T1000-D2528 WeakPolarHBondContact CB-O 3.31Å; T1000-D2528 WeakPolarHBondContact CG2-O 3.29Å; T1000-D2528 PolarHBondContact N-O 3.31Å; T1000-D2528 PolarHBondContact OG1-O 2.96Å |
| 2529 | R | 33.9 | Very low | 31.1 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 68% | 0.679 | 76% | 0.757 | S | S | * | * | | | cis | -128 | 178.2 | 4.5 | -65.3 | 167.2 | -163.3 | 148.1 | 24.3 | 111 | V999 | V999-R2529 WeakPolarHBondContact CG1-O 3.49Å; V999-R2529 VanDerWaalsContact CG2-O 3.29Å; V999-R2529 WeakPolarHBondContact CG2-O 3.26Å |
| 2530 | T | 32.4 | Very low | 30.8 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 76% | 0.761 | 76% | 0.757 | S | S | * | * | | | trans | -127.1 | 168.2 | -171.8 | 46.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 2531 | T | 34.4 | Very low | 30.8 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 87% | 0.865 | 77% | 0.765 | S | S | * | * | | | trans | -150.2 | 112.5 | 144.6 | 8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 2532 | S | 35 | Very low | 30.6 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 26.4 | 113.5 | 163.9 | 59 | 0 | 0 | 0 | 0 | 121.8 | | |
| 2533 | V | 29.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | | | trans | -90.9 | 135 | 152.4 | 168 | 0 | 0 | 0 | 0 | 110.2 | | |
| 2534 | K | 31.5 | Very low | 30.3 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | | | trans | -161.3 | 154.9 | 136.3 | -116.7 | 172.3 | -176.6 | 178 | 0 | 113.5 | | |
| 2535 | K | 30.1 | Very low | 30.2 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | | | trans | -111.8 | 166.7 | -175.2 | -66.2 | 179.7 | 176.7 | 177.3 | 0 | 111.4 | | |
| 2536 | T | 26.3 | Very low | 29.9 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 76% | 0.759 | S | S | * | * | | | trans | 58.9 | 113.7 | 149.6 | 45 | 0 | 0 | 0 | 0 | 119.8 | | |
| 2537 | L | 27.3 | Very low | 29.8 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | | | | -158.1 | 156.6 | 102 | -138.5 | 76.8 | 0 | 0 | 0 | 114.3 | | |
| 2538 | C | 26.9 | Very low | 29.4 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 70% | 0.703 | 78% | 0.781 | S | S | * | * | | | trans | 24.2 | 114.1 | 158.4 | -69.5 | 0 | 0 | 0 | 0 | 123.6 | | |
| 2539 | R | 25.7 | Very low | 29.2 | Very low | 241 Ų | 241 | 153.4 Ų | 153.4 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | | 40.9 | 134.7 | 114.4 | -65.4 | -172.1 | 178.9 | -152.7 | -0.1 | 121.5 | | |
| 2540 | S | 25 | Very low | 28.8 | Very low | 109 Ų | 109 | 153.8 Ų | 153.8 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | trans | -41.1 | 147 | 160.4 | 46.1 | 0 | 0 | 0 | 0 | 118 | | |
| 2541 | I | 28.9 | Very low | 28.6 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | | | trans | -162.3 | 163.5 | 133.3 | -104.5 | 158.2 | 0 | 0 | 0 | 110.4 | | |
| 2542 | R | 28.3 | Very low | 28.5 | Very low | 160 Ų | 160 | 156.3 Ų | 156.3 | 60% | 0.604 | 81% | 0.808 | S | S | * | * | | | trans | -93.9 | 160.9 | -171.9 | -127.5 | -175.9 | -160.9 | 172.1 | 5.3 | 111.7 | | |
| 2543 | L | 29.2 | Very low | 28.2 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 78% | 0.775 | 84% | 0.839 | S | S | * | * | | | trans | 70.4 | 148 | 161.6 | -58.6 | 163.6 | 0 | 0 | 0 | 115.3 | | |
| 2544 | I | 29.5 | Very low | 28.2 | Very low | 161 Ų | 161 | 159.3 Ų | 159.3 | 83% | 0.826 | 84% | 0.844 | S | S | * | * | | | cis | -151.6 | 155.5 | -0.1 | -109.5 | 152.1 | 0 | 0 | 0 | 107.3 | | |
| 2545 | G | 30.4 | Very low | 28 | Very low | 69 Ų | 69 | 156.7 Ų | 156.7 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | | | trans | 152.9 | 75.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 2546 | R | 28.2 | Very low | 27.9 | Very low | 259 Ų | 259 | 155.4 Ų | 155.4 | 98% | 0.977 | 84% | 0.844 | S | S | * | * | | | trans | 0.7 | 132.8 | 152.6 | -61.2 | 170.9 | 172.2 | 163 | -4 | 118.7 | | |
| 2547 | G | 27.3 | Very low | 28 | Very low | 79 Ų | 79 | 157.1 Ų | 157.1 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | | | trans | -167.6 | 40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | R2549 | G2547-R2549 PolarHBondContact O-N 3.16Š|
| 2548 | T | 25.7 | Very low | 28 | Very low | 135 Ų | 135 | 156.9 Ų | 156.9 | 83% | 0.828 | 85% | 0.848 | S | S | * | * | | | trans | -65.4 | 110.8 | 178.8 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 2549 | R | 28.3 | Very low | 28.1 | Very low | 220 Ų | 220 | 160.4 Ų | 160.4 | 83% | 0.83 | 86% | 0.857 | S | S | * | * | | | | 158.5 | 143.2 | 116.8 | -90.7 | 178.5 | 170.2 | -156 | -5.8 | 115.8 | G2547 | G2547-R2549 PolarHBondContact O-N 3.16Š|
| 2550 | K | 25.6 | Very low | 28.3 | Very low | 187 Ų | 187 | 154.6 Ų | 154.6 | 81% | 0.813 | 85% | 0.854 | S | S | * | * | | | trans | 70.4 | 152.7 | 151.8 | -75.2 | -171.9 | 172.1 | -166.5 | 0 | 119.1 | | |
| 2551 | K | 28 | Very low | 28.5 | Very low | 173 Ų | 173 | 158.2 Ų | 158.2 | 75% | 0.752 | 86% | 0.861 | S | S | * | * | | | trans | 52.6 | 91 | 172.9 | -66.8 | -161.7 | 171.3 | -165.1 | 0 | 116.1 | | |
| 2552 | V | 32.1 | Very low | 28.5 | Very low | 146 Ų | 146 | 156.6 Ų | 156.6 | 89% | 0.885 | 86% | 0.857 | S | S | * | * | | | trans | -62.3 | 126.2 | 132.3 | 173.2 | 0 | 0 | 0 | 0 | 106.7 | | |
| 2553 | G | 29.6 | Very low | 28.5 | Very low | 142 Ų | 142 | 156.3 Ų | 156.3 | 100% | 1.464 | 88% | 0.88 | S | S | * | * | | | trans | -104 | 0 | 137.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |