| 1 | M | 94.1 | Very high | 87.8 | Confident | 57 Ų | 57 | 77.5 Ų | 77.5 | 28% | 0.281 | 41% | 0.405 | S | S | . | . | | | | 0 | -172.9 | 0 | -82.2 | 168.7 | 24.6 | 0 | 0 | 112.8 | K16 R18 A33 I51 V52 D54 | M1-K16 HydrophobicContact CE-CB 3.55Å; M1-K16 HydrophobicContact CE-CD 3.95Å; M1-K16 HydrophobicContact CE-CG 3.92Å; M1-R18 HydrophobicContact CG-CG 4.05Å; M1-A33 HydrophobicContact CE-CB 4.28Å; M1-I51 WeakPolarHBondContact O-CG2 3.43Å; M1-V52 CarbonylContact C-O 3.55Å; M1-V52 PolarHBondContact N-O 3.47Å; M1-V52 PolarHBondContact O-N 3Å; M1-V52 VanDerWaalsContact O-O 3.07Å; M1-D54 WeakPolarHBondContact CB-OD1 3.44Å; M1-D54 WeakPolarHBondContact CG-OD1 3.49Å; M1-D54 VanDerWaalsContact N-CG 3.31Å; M1-D54 PolarHBondContact N-OD1 3.13Å; M1-D54 PolarHBondContact N-OD2 3.46Å |
| 2 | V | 97.2 | Very high | 87.3 | Confident | 18 Ų | 18 | 84.1 Ų | 84.1 | 11% | 0.109 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 156.7 | 171.8 | -66 | 0 | 0 | 0 | 0 | 112.2 | V4 A17 V19 V48 G50 I51 | V2-V4 HydrophobicContact CG2-CG2 3.95Å; V2-A17 HydrophobicContact CG2-CB 4.26Å; V2-A17 WeakPolarHBondContact CG2-O 3.41Å; V2-A17 PolarHBondContact N-O 3.32Å; V2-A17 PolarHBondContact O-N 2.84Å; V2-V19 HydrophobicContact CG1-CG2 4.25Å; V2-V19 HydrophobicContact CG2-CG2 3.92Å; V2-V48 HydrophobicContact CB-CG1 4.16Å; V2-V48 HydrophobicContact CG1-CG1 4.36Å; V2-G50 WeakPolarHBondContact CA-O 3.41Å; V2-I51 HydrophobicContact CG1-CG1 4.39Å |
| 3 | L | 97 | Very high | 87.8 | Confident | 53 Ų | 53 | 83.9 Ų | 83.9 | 28% | 0.277 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.1 | 166.7 | -81.5 | 163.5 | 0 | 0 | 0 | 110.7 | A14 K16 V48 L49 G50 V52 | L3-A14 HydrophobicContact CD2-CB 4.22Å; L3-K16 HydrophobicContact CD2-CG 4.26Å; L3-V48 CarbonylContact O-C 3.5Å; L3-V48 WeakPolarHBondContact O-CA 3.34Å; L3-L49 HydrophobicContact CB-CB 4.25Å; L3-L49 PolarHBondContact O-N 2.86Å; L3-G50 PolarHBondContact N-O 2.95Å; L3-V52 HydrophobicContact CB-CG2 4.42Å; L3-V52 HydrophobicContact CD1-CG2 3.44Å; L3-V52 VanDerWaalsContact CD1-CG2 3.44Å; L3-V52 HydrophobicContact CG-CG2 3.48Å; L3-V52 VanDerWaalsContact CG-CG2 3.48Å |
| 4 | V | 97.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 127.3 | 179 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | V2 Y6 Y15 A17 V30 Y32 V43 R47 V48 | V2-V4 HydrophobicContact CG2-CG2 3.95Å; V4-Y6 PolarHBondContact O-N 3.17Å; V4-Y15 PolarHBondContact N-O 3.45Å; V4-Y15 PolarHBondContact O-N 3.46Å; V4-A17 HydrophobicContact CB-CB 4.38Å; V4-A17 HydrophobicContact CG2-CB 3.88Å; V4-V30 HydrophobicContact CG1-CG2 4.37Å; V4-V30 HydrophobicContact CG2-CB 4.48Å; V4-V30 HydrophobicContact CG2-CG1 4.15Å; V4-Y32 HydrophobicContact CB-CE1 3.93Å; V4-Y32 HydrophobicContact CG1-CE1 4.08Å; V4-Y32 WeakPolarHBondContact CG1-OH 3.4Å; V4-V43 HydrophobicContact CG1-CG1 4.23Å; V4-V43 HydrophobicContact CG1-CG2 4.19Å; V4-R47 CarbonylContact C-O 3.5Å; V4-R47 WeakPolarHBondContact CA-O 3.4Å; V4-R47 HydrophobicContact CG1-CB 4.29Å; V4-V48 HydrophobicContact CG2-CG2 4.37Å |
| 5 | Q | 96.5 | Very high | 88.9 | Confident | 33 Ų | 33 | 81.1 Ų | 81.1 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 123.3 | 173.2 | -166.5 | -163.8 | -43.7 | 0 | 0 | 109.6 | K12 R47 L49 | Q5-K12 HydrophobicContact CG-CB 4.23Å; Q5-R47 PolarHBondContact N-O 2.6Å; Q5-R47 VanDerWaalsContact O-CZ 3.24Å; Q5-R47 PolarHBondContact O-NE 2.99Å; Q5-R47 PolarHBondContact O-NH2 2.85Å; Q5-L49 HydrophobicContact CB-CD1 4.4Å |
| 6 | Y | 94.6 | Very high | 89.4 | Confident | 76 Ų | 76 | 80.9 Ų | 80.9 | 30% | 0.298 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 152.3 | 174.7 | -172.1 | -104.3 | 0 | 0 | 0 | 111.4 | V4 D13 Y15 Y32 W35 E41 | V4-Y6 PolarHBondContact O-N 3.17Å; Y6-D13 PolarHBondContact N-O 3Å; Y6-Y15 VanDerWaalsContact CB-CD2 3.42Å; Y6-Y15 HydrophobicContact CD1-CE2 4.27Å; Y6-Y15 HydrophobicContact CG-CD2 4.39Å; Y6-Y15 HydrophobicContact CG-CE2 4.36Å; Y6-Y32 HydrophobicContact CD2-CE1 4.41Å; Y6-Y32 AromaticContact CD2-CE2 3.78Å; Y6-Y32 HydrophobicContact CD2-CE2 3.78Å; Y6-Y32 AromaticContact CD2-CZ 3.66Å; Y6-Y32 HydrophobicContact CE2-CE2 4.09Å; Y6-W35 AromaticContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CZ3 4.34Å; Y6-W35 AromaticContact CE1-CH2 3.65Å; Y6-W35 HydrophobicContact CE1-CH2 3.65Å; Y6-W35 AromaticContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE2-CZ3 4.25Å; Y6-W35 HydrophobicContact CG-CH2 4.5Å; Y6-W35 AromaticContact CZ-CZ3 3.74Å; Y6-E41 VanDerWaalsContact CD2-OE1 3.31Å; Y6-E41 WeakPolarHBondContact CD2-OE1 3.22Å |
| 7 | G | 87 | Confident | 89.9 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | S | Bend | trans | 87.2 | -171.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 8 | S | 76.4 | Confident | 90.3 | Very high | 80 Ų | 80 | 80.4 Ų | 80.4 | 56% | 0.559 | 40% | 0.4 | S | S | * | . | | | trans | -85 | 164.6 | -173.7 | 76.3 | 0 | 0 | 0 | 0 | 112.7 | S10 R11 | S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-OG 2.79Å; S8-R11 PolarHBondContact O-N 3.43Å; S8-R11 VanDerWaalsContact O-O 3.12Å |
| 9 | K | 76.1 | Confident | 90.8 | Very high | 199 Ų | 199 | 79.4 Ų | 79.4 | 87% | 0.865 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -20.6 | -174.1 | -64.4 | -175.7 | 179.3 | -177.8 | 0 | 115.9 | | |
| 10 | S | 76.7 | Confident | 91.1 | Very high | 102 Ų | 102 | 79.6 Ų | 79.6 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -15.3 | -177.9 | 56.3 | 0 | 0 | 0 | 0 | 115.2 | S8 | S8-S10 PolarHBondContact O-N 3.32Å; S8-S10 PolarHBondContact OG-OG 2.79Å |
| 11 | R | 73.2 | Confident | 91.5 | Very high | 187 Ų | 187 | 80.7 Ų | 80.7 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | | | trans | -135.8 | 105.2 | 175.2 | -66.1 | -169.7 | -178.8 | -165.4 | -0.5 | 108.8 | S8 D13 | S8-R11 PolarHBondContact O-N 3.43Å; S8-R11 VanDerWaalsContact O-O 3.12Å; R11-D13 PolarHBondContact O-N 2.96Å |
| 12 | K | 82.1 | Confident | 91.6 | Very high | 156 Ų | 156 | 83.8 Ų | 83.8 | 68% | 0.678 | 42% | 0.421 | S | S | * | . | | | trans | -96 | 64.1 | -177 | -59.1 | -161.6 | -178.5 | -177.3 | 0 | 110.3 | Q5 | Q5-K12 HydrophobicContact CG-CB 4.23Š|
| 13 | D | 94.1 | Very high | 91.6 | Very high | 82 Ų | 82 | 85.6 Ų | 85.6 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.7 | 175.3 | -60.4 | -40.4 | 0 | 0 | 0 | 108.4 | Y6 R11 Y15 | Y6-D13 PolarHBondContact N-O 3Å; R11-D13 PolarHBondContact O-N 2.96Å; D13-Y15 HydrophobicContact CB-CD2 4.41Å; D13-Y15 HydrophobicContact CB-CE2 3.51Å; D13-Y15 WeakPolarHBondContact O-CD2 3.49Å |
| 14 | A | 95.3 | Very high | 91.5 | Very high | 50 Ų | 50 | 88.2 Ų | 88.2 | 41% | 0.413 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | L3 L49 | L3-A14 HydrophobicContact CD2-CB 4.22Å; A14-L49 HydrophobicContact CB-CD1 3.67Å |
| 15 | Y | 96.9 | Very high | 91.5 | Very high | 75 Ų | 75 | 97.6 Ų | 97.6 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 139.3 | -176 | -66.3 | -92.3 | 0 | 0 | 0 | 110.9 | V4 Y6 D13 A17 Y32 W35 | V4-Y15 PolarHBondContact N-O 3.45Å; V4-Y15 PolarHBondContact O-N 3.46Å; Y6-Y15 VanDerWaalsContact CB-CD2 3.42Å; Y6-Y15 HydrophobicContact CD1-CE2 4.27Å; Y6-Y15 HydrophobicContact CG-CD2 4.39Å; Y6-Y15 HydrophobicContact CG-CE2 4.36Å; D13-Y15 HydrophobicContact CB-CD2 4.41Å; D13-Y15 HydrophobicContact CB-CE2 3.51Å; D13-Y15 WeakPolarHBondContact O-CD2 3.49Å; Y15-A17 PolarHBondContact O-N 3.27Å; Y15-Y32 HydrophobicContact CG-CD1 4.46Å; Y15-W35 AromaticContact CD1-CZ2 3.99Å; Y15-W35 HydrophobicContact CD1-CZ2 3.99Å; Y15-W35 AromaticContact CE1-CZ2 3.7Å; Y15-W35 HydrophobicContact CE1-CZ2 3.7Å |
| 16 | K | 96.7 | Very high | 91.5 | Very high | 78 Ų | 78 | 104.9 Ų | 104.9 | 34% | 0.339 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 127.5 | 169.2 | -82.7 | 179.5 | 179.8 | 176.9 | 0 | 109.1 | M1 L3 A33 V57 | M1-K16 HydrophobicContact CE-CB 3.55Å; M1-K16 HydrophobicContact CE-CD 3.95Å; M1-K16 HydrophobicContact CE-CG 3.92Å; L3-K16 HydrophobicContact CD2-CG 4.26Å; K16-A33 HydrophobicContact CB-CB 4.17Å; K16-A33 WeakPolarHBondContact O-CB 3.39Å; K16-A33 PolarHBondContact O-N 3.48Å; K16-V57 HydrophobicContact CD-CG2 4.44Å |
| 17 | A | 97.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 106.8 Ų | 106.8 | 0% | 0 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 161.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V2 V4 Y15 V30 H31 Y32 | V2-A17 HydrophobicContact CG2-CB 4.26Å; V2-A17 WeakPolarHBondContact CG2-O 3.41Å; V2-A17 PolarHBondContact N-O 3.32Å; V2-A17 PolarHBondContact O-N 2.84Å; V4-A17 HydrophobicContact CB-CB 4.38Å; V4-A17 HydrophobicContact CG2-CB 3.88Å; Y15-A17 PolarHBondContact O-N 3.27Å; A17-V30 HydrophobicContact CB-CB 4.37Å; A17-H31 CarbonylContact C-O 3.47Å; A17-H31 WeakPolarHBondContact CA-O 3.44Å; A17-H31 WeakPolarHBondContact CB-O 3.27Å; A17-Y32 HydrophobicContact CB-CD1 3.99Å; A17-Y32 HydrophobicContact CB-CE1 4.35Å |
| 18 | R | 97.8 | Very high | 92.2 | Very high | 153 Ų | 153 | 104.7 Ų | 104.7 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.3 | 168.8 | -73.8 | 176.1 | 54.5 | -178.6 | -4.4 | 109.2 | M1 V30 H31 | M1-R18 HydrophobicContact CG-CG 4.05Å; R18-V30 WeakPolarHBondContact O-CA 3.5Å; R18-H31 PolarHBondContact N-O 3.13Å; R18-H31 PolarHBondContact O-N 3.24Å |
| 19 | V | 98 | Very high | 93.2 | Very high | 61 Ų | 61 | 102.8 Ų | 102.8 | 37% | 0.37 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.8 | 167.4 | 179 | 0 | 0 | 0 | 0 | 108 | V2 I22 C28 V30 | V2-V19 HydrophobicContact CG1-CG2 4.25Å; V2-V19 HydrophobicContact CG2-CG2 3.92Å; V19-I22 HydrophobicContact CG1-CG1 4.11Å; V19-C28 HydrophobicContact CG1-CB 4.01Å; V19-V30 HydrophobicContact CG2-CG1 4.39Å |
| 20 | L | 98.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 93.3 Ų | 93.3 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -39.4 | 176.4 | -62.8 | -172.5 | 0 | 0 | 0 | 112.1 | L29 H31 | L20-L29 HydrophobicContact CB-CB 4.44Å; L20-L29 HydrophobicContact CB-CD2 4.04Å; L20-L29 HydrophobicContact CB-CG 4.1Å; L20-L29 HydrophobicContact CD1-CD2 4.18Å; L20-L29 HydrophobicContact CD1-CG 4.3Å; L20-L29 PolarHBondContact N-O 2.73Å; L20-H31 HydrophobicContact CD1-CB 3.88Å; L20-H31 HydrophobicContact CD2-CB 4.03Å; L20-H31 HydrophobicContact CG-CB 3.87Å |
| 21 | Q | 98.4 | Very high | 95.3 | Very high | 103 Ų | 103 | 90.5 Ų | 90.5 | 48% | 0.481 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.1 | -178.1 | -174 | 175.6 | 8.7 | 0 | 0 | 110.2 | C28 L29 | Q21-C28 CarbonylContact O-C 3.58Å; Q21-C28 VanDerWaalsContact O-CA 3.27Å; Q21-C28 WeakPolarHBondContact O-CA 3.17Å; Q21-L29 HydrophobicContact CB-CB 4.03Å; Q21-L29 HydrophobicContact CB-CD2 4.39Å; Q21-L29 PolarHBondContact O-N 3.47Å |
| 22 | I | 97.9 | Very high | 96.5 | Very high | 123 Ų | 123 | 81.7 Ų | 81.7 | 63% | 0.631 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.7 | 169.2 | -59.1 | 175 | 0 | 0 | 0 | 108 | V19 F45 | V19-I22 HydrophobicContact CG1-CG1 4.11Å; I22-F45 HydrophobicContact CG2-CE1 4.49Å; I22-F45 HydrophobicContact CG2-CZ 4.1Å |
| 23 | H | 97.1 | Very high | 97.2 | Very high | 55 Ų | 55 | 76.6 Ų | 76.6 | 26% | 0.255 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 153.3 | 177.4 | -69.4 | -76.8 | 0 | 0 | 0 | 110.8 | R27 | H23-R27 HydrophobicContact CB-CB 4.28Å; H23-R27 PolarHBondContact N-O 3.5Å |
| 24 | P | 94.6 | Very high | 97.3 | Very high | 109 Ų | 109 | 76.8 Ų | 76.8 | 71% | 0.708 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 159.4 | 166.6 | 26.5 | -35.2 | 0 | 0 | 0 | 111.1 | | |
| 25 | K | 96.4 | Very high | 97.4 | Very high | 197 Ų | 197 | 78.1 Ų | 78.1 | 86% | 0.857 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 35.2 | -176 | -45.5 | 179.7 | -179.6 | -176.4 | 0 | 114.6 | R27 | K25-R27 PolarHBondContact O-N 3.46Š|
| 26 | R | 96.3 | Very high | 97.5 | Very high | 186 Ų | 186 | 77.4 Ų | 77.4 | 70% | 0.702 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 48.5 | 173.7 | -55.4 | -180 | 71.5 | 178.3 | 3.9 | 113.2 | F45 | R26-F45 HydrophobicContact CB-CB 4.47Å; R26-F45 HydrophobicContact CB-CD2 4.23Å; R26-F45 HydrophobicContact CB-CG 4.17Å; R26-F45 VanDerWaalsContact O-CD1 3.22Å; R26-F45 WeakPolarHBondContact O-CD1 3.11Å; R26-F45 PolarHBondContact O-N 3.17Å |
| 27 | R | 98 | Very high | 97.6 | Very high | 116 Ų | 116 | 77.6 Ų | 77.6 | 44% | 0.438 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.9 | 176.2 | -63.3 | -178.4 | 72.6 | -173.6 | -0.2 | 110.8 | H23 K25 V42 V43 | H23-R27 HydrophobicContact CB-CB 4.28Å; H23-R27 PolarHBondContact N-O 3.5Å; K25-R27 PolarHBondContact O-N 3.46Å; R27-V42 HydrophobicContact CB-CG1 3.9Å; R27-V42 PolarHBondContact NH2-O 2.58Å; R27-V43 CarbonylContact C-O 3.51Å; R27-V43 WeakPolarHBondContact CA-O 3.35Å; R27-V43 WeakPolarHBondContact CB-O 3.28Å |
| 28 | C | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 88.5 Ų | 88.5 | 3% | 0.027 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 142.8 | 174.8 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | V19 Q21 V30 V42 V43 F45 | V19-C28 HydrophobicContact CG1-CB 4.01Å; Q21-C28 CarbonylContact O-C 3.58Å; Q21-C28 VanDerWaalsContact O-CA 3.27Å; Q21-C28 WeakPolarHBondContact O-CA 3.17Å; C28-V30 HydrophobicContact CB-CG1 4.5Å; C28-V42 CarbonylContact O-C 3.59Å; C28-V42 WeakPolarHBondContact O-CA 3.21Å; C28-V43 PolarHBondContact N-O 3.3Å; C28-V43 PolarHBondContact O-N 3.36Å; C28-F45 HydrophobicContact CB-CE1 4Å |
| 29 | L | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 87.3 Ų | 87.3 | 20% | 0.204 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 123.8 | 166.1 | 179.5 | 64 | 0 | 0 | 0 | 108 | L20 Q21 D40 E41 V42 | L20-L29 HydrophobicContact CB-CB 4.44Å; L20-L29 HydrophobicContact CB-CD2 4.04Å; L20-L29 HydrophobicContact CB-CG 4.1Å; L20-L29 HydrophobicContact CD1-CD2 4.18Å; L20-L29 HydrophobicContact CD1-CG 4.3Å; L20-L29 PolarHBondContact N-O 2.73Å; Q21-L29 HydrophobicContact CB-CB 4.03Å; Q21-L29 HydrophobicContact CB-CD2 4.39Å; Q21-L29 PolarHBondContact O-N 3.47Å; L29-D40 HydrophobicContact CD1-CB 4.23Å; L29-E41 WeakPolarHBondContact CA-O 3.38Å; L29-V42 HydrophobicContact CB-CG2 4.28Å; L29-V42 HydrophobicContact CD1-CG2 3.86Å |
| 30 | V | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 86.6 Ų | 86.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.9 | -178.4 | -62 | 0 | 0 | 0 | 0 | 111.5 | V4 A17 R18 V19 C28 Y32 D40 E41 V43 | V4-V30 HydrophobicContact CG1-CG2 4.37Å; V4-V30 HydrophobicContact CG2-CB 4.48Å; V4-V30 HydrophobicContact CG2-CG1 4.15Å; A17-V30 HydrophobicContact CB-CB 4.37Å; R18-V30 WeakPolarHBondContact O-CA 3.5Å; V19-V30 HydrophobicContact CG2-CG1 4.39Å; C28-V30 HydrophobicContact CB-CG1 4.5Å; V30-Y32 HydrophobicContact CG2-CE2 4.3Å; V30-D40 WeakPolarHBondContact O-CA 3.49Å; V30-E41 HydrophobicContact CG2-CG 4.28Å; V30-E41 PolarHBondContact N-O 3.07Å; V30-E41 PolarHBondContact O-N 2.92Å; V30-V43 HydrophobicContact CG1-CG2 3.84Å; V30-V43 HydrophobicContact CG2-CG1 3.8Å; V30-V43 HydrophobicContact CG2-CG2 3.93Å |
| 31 | H | 98.4 | Very high | 97.5 | Very high | 44 Ų | 44 | 85 Ų | 85 | 20% | 0.204 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 119.6 | 174.3 | 174.4 | 69.6 | 0 | 0 | 0 | 109.5 | A17 R18 L20 W35 D40 | A17-H31 CarbonylContact C-O 3.47Å; A17-H31 WeakPolarHBondContact CA-O 3.44Å; A17-H31 WeakPolarHBondContact CB-O 3.27Å; R18-H31 PolarHBondContact N-O 3.13Å; R18-H31 PolarHBondContact O-N 3.24Å; L20-H31 HydrophobicContact CD1-CB 3.88Å; L20-H31 HydrophobicContact CD2-CB 4.03Å; L20-H31 HydrophobicContact CG-CB 3.87Å; H31-W35 PolarHBondContact CE1-O 3.34Å; H31-W35 VanDerWaalsContact CE1-O 3.31Å; H31-D40 WeakPolarHBondContact CA-OD1 3.44Å; H31-D40 IonicContact CE1-OD1 3.42Å; H31-D40 IonicContact CG-OD1 3.31Å; H31-D40 IonicContact ND1-OD1 2.69Å; H31-D40 PolarHBondContact ND1-OD1 3.11Å; H31-D40 IonicContact ND1-OD2 3.48Å |
| 32 | Y | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 82.4 Ų | 82.4 | 0% | 0.004 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 131.3 | -178.5 | -66 | -76.5 | 0 | 0 | 0 | 111.5 | V4 Y6 Y15 A17 V30 G34 W35 E41 R47 | V4-Y32 HydrophobicContact CB-CE1 3.93Å; V4-Y32 HydrophobicContact CG1-CE1 4.08Å; V4-Y32 WeakPolarHBondContact CG1-OH 3.4Å; Y6-Y32 HydrophobicContact CD2-CE1 4.41Å; Y6-Y32 AromaticContact CD2-CE2 3.78Å; Y6-Y32 HydrophobicContact CD2-CE2 3.78Å; Y6-Y32 AromaticContact CD2-CZ 3.66Å; Y6-Y32 HydrophobicContact CE2-CE2 4.09Å; Y15-Y32 HydrophobicContact CG-CD1 4.46Å; A17-Y32 HydrophobicContact CB-CD1 3.99Å; A17-Y32 HydrophobicContact CB-CE1 4.35Å; V30-Y32 HydrophobicContact CG2-CE2 4.3Å; Y32-G34 PolarHBondContact O-N 3.03Å; Y32-W35 HydrophobicContact CD2-CE3 4.49Å; Y32-W35 WeakPolarHBondContact O-CB 3.49Å; Y32-W35 PolarHBondContact O-N 2.98Å; Y32-E41 HydrophobicContact CE2-CG 3.96Å; Y32-E41 WeakPolarHBondContact CE2-OE1 3.37Å; Y32-E41 PolarHBondContact OH-OE1 2.95Å; Y32-R47 PolarHBondContact OH-NH2 2.93Å; Y32-R47 VanDerWaalsContact OH-NH2 3.07Å |
| 33 | A | 96.7 | Very high | 97.5 | Very high | 49 Ų | 49 | 76.5 Ų | 76.5 | 41% | 0.405 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 125.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111 | M1 K16 W35 | M1-A33 HydrophobicContact CE-CB 4.28Å; K16-A33 HydrophobicContact CB-CB 4.17Å; K16-A33 WeakPolarHBondContact O-CB 3.39Å; K16-A33 PolarHBondContact O-N 3.48Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 3.41Å |
| 34 | G | 97.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 76.3 Ų | 76.3 | 89% | 0.887 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y32 | Y32-G34 PolarHBondContact O-N 3.03Š|
| 35 | W | 97.9 | Very high | 97.6 | Very high | 79 Ų | 79 | 74.9 Ų | 74.9 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -99 | 156.7 | 178.3 | -67.6 | 39 | 0 | 0 | 0 | 110.5 | Y6 Y15 H31 Y32 A33 Y39 | Y6-W35 AromaticContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CH2 3.88Å; Y6-W35 HydrophobicContact CD1-CZ3 4.34Å; Y6-W35 AromaticContact CE1-CH2 3.65Å; Y6-W35 HydrophobicContact CE1-CH2 3.65Å; Y6-W35 AromaticContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE1-CZ3 3.79Å; Y6-W35 HydrophobicContact CE2-CZ3 4.25Å; Y6-W35 HydrophobicContact CG-CH2 4.5Å; Y6-W35 AromaticContact CZ-CZ3 3.74Å; Y15-W35 AromaticContact CD1-CZ2 3.99Å; Y15-W35 HydrophobicContact CD1-CZ2 3.99Å; Y15-W35 AromaticContact CE1-CZ2 3.7Å; Y15-W35 HydrophobicContact CE1-CZ2 3.7Å; H31-W35 PolarHBondContact CE1-O 3.34Å; H31-W35 VanDerWaalsContact CE1-O 3.31Å; Y32-W35 HydrophobicContact CD2-CE3 4.49Å; Y32-W35 WeakPolarHBondContact O-CB 3.49Å; Y32-W35 PolarHBondContact O-N 2.98Å; A33-W35 VanDerWaalsContact C-N 3.29Å; A33-W35 PolarHBondContact O-N 3.41Å; W35-Y39 HydrophobicContact CB-CD2 4.39Å; W35-Y39 HydrophobicContact CE3-CD1 4.27Å; W35-Y39 HydrophobicContact CE3-CD2 4.17Å; W35-Y39 AromaticContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CZ3-CD1 4.44Å; W35-Y39 HydrophobicContact CZ3-CG 4.45Å |
| 36 | S | 98.3 | Very high | 97.6 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 42% | 0.42 | 37% | 0.367 | S | S | . | . | | | trans | -66.4 | 143.7 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | R38 Y39 | S36-R38 PolarHBondContact O-N 3.26Å; S36-Y39 WeakPolarHBondContact O-CB 3.41Å; S36-Y39 WeakPolarHBondContact O-CD2 3.4Å; S36-Y39 PolarHBondContact O-N 3.23Å |
| 37 | S | 98 | Very high | 97.6 | Very high | 82 Ų | 82 | 64.2 Ų | 64.2 | 57% | 0.573 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -58.9 | -10.6 | 174.3 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | Y39 D40 | S37-Y39 PolarHBondContact O-N 3.34Å; S37-D40 WeakPolarHBondContact CA-OD1 3.48Å; S37-D40 WeakPolarHBondContact CA-OD2 3.36Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 WeakPolarHBondContact O-CB 3.19Å; S37-D40 PolarHBondContact O-N 2.76Å |
| 38 | R | 98.1 | Very high | 97.5 | Very high | 229 Ų | 229 | 60.6 Ų | 60.6 | 86% | 0.864 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -65.9 | -14.3 | 167.7 | -63.4 | -175.2 | 179.4 | -160.8 | 0.8 | 114 | S36 | S36-R38 PolarHBondContact O-N 3.26Š|
| 39 | Y | 97.2 | Very high | 97.4 | Very high | 128 Ų | 128 | 65.3 Ų | 65.3 | 50% | 0.502 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -101.2 | 7.4 | 176.1 | -61 | -75.9 | 0 | 0 | 0 | 113 | W35 S36 S37 E41 | W35-Y39 HydrophobicContact CB-CD2 4.39Å; W35-Y39 HydrophobicContact CE3-CD1 4.27Å; W35-Y39 HydrophobicContact CE3-CD2 4.17Å; W35-Y39 AromaticContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CE3-CG 3.84Å; W35-Y39 HydrophobicContact CZ3-CD1 4.44Å; W35-Y39 HydrophobicContact CZ3-CG 4.45Å; S36-Y39 WeakPolarHBondContact O-CB 3.41Å; S36-Y39 WeakPolarHBondContact O-CD2 3.4Å; S36-Y39 PolarHBondContact O-N 3.23Å; S37-Y39 PolarHBondContact O-N 3.34Å; Y39-E41 PolarHBondContact O-N 3.06Å |
| 40 | D | 98.1 | Very high | 97.3 | Very high | 45 Ų | 45 | 64.9 Ų | 64.9 | 24% | 0.241 | 36% | 0.363 | C | S | . | . | | | trans | -67.2 | 130.4 | 175.3 | -62.2 | -7.3 | 0 | 0 | 0 | 109.4 | L29 V30 H31 S37 | L29-D40 HydrophobicContact CD1-CB 4.23Å; V30-D40 WeakPolarHBondContact O-CA 3.49Å; H31-D40 WeakPolarHBondContact CA-OD1 3.44Å; H31-D40 IonicContact CE1-OD1 3.42Å; H31-D40 IonicContact CG-OD1 3.31Å; H31-D40 IonicContact ND1-OD1 2.69Å; H31-D40 PolarHBondContact ND1-OD1 3.11Å; H31-D40 IonicContact ND1-OD2 3.48Å; S37-D40 WeakPolarHBondContact CA-OD1 3.48Å; S37-D40 WeakPolarHBondContact CA-OD2 3.36Å; S37-D40 WeakPolarHBondContact CB-OD2 3.34Å; S37-D40 WeakPolarHBondContact O-CB 3.19Å; S37-D40 PolarHBondContact O-N 2.76Å |
| 41 | E | 97.7 | Very high | 97.2 | Very high | 51 Ų | 51 | 72 Ų | 72 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 154.2 | -175.8 | 58.8 | 163.7 | 158.5 | 0 | 0 | 112.6 | Y6 L29 V30 Y32 Y39 V43 R47 | Y6-E41 VanDerWaalsContact CD2-OE1 3.31Å; Y6-E41 WeakPolarHBondContact CD2-OE1 3.22Å; L29-E41 WeakPolarHBondContact CA-O 3.38Å; V30-E41 HydrophobicContact CG2-CG 4.28Å; V30-E41 PolarHBondContact N-O 3.07Å; V30-E41 PolarHBondContact O-N 2.92Å; Y32-E41 HydrophobicContact CE2-CG 3.96Å; Y32-E41 WeakPolarHBondContact CE2-OE1 3.37Å; Y32-E41 PolarHBondContact OH-OE1 2.95Å; Y39-E41 PolarHBondContact O-N 3.06Å; E41-V43 HydrophobicContact CG-CG1 3.79Å; E41-V43 PolarHBondContact O-N 2.9Å; E41-R47 IonicContact OE1-CZ 3.63Å; E41-R47 IonicContact OE1-NH1 2.75Å; E41-R47 PolarHBondContact OE1-NH1 3.48Å; E41-R47 IonicContact OE1-NH2 3.65Å; E41-R47 PolarHBondContact OE1-NH2 3Å; E41-R47 IonicContact OE2-CZ 3.5Å; E41-R47 IonicContact OE2-NH1 3.6Å; E41-R47 PolarHBondContact OE2-NH1 3.12Å; E41-R47 IonicContact OE2-NH2 3.58Å |
| 42 | V | 97.7 | Very high | 96.9 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 29% | 0.285 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 97.9 | 178.1 | -176 | 0 | 0 | 0 | 0 | 109.9 | R27 C28 L29 | R27-V42 HydrophobicContact CB-CG1 3.9Å; R27-V42 PolarHBondContact NH2-O 2.58Å; C28-V42 CarbonylContact O-C 3.59Å; C28-V42 WeakPolarHBondContact O-CA 3.21Å; L29-V42 HydrophobicContact CB-CG2 4.28Å; L29-V42 HydrophobicContact CD1-CG2 3.86Å |
| 43 | V | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 148.1 | -178 | -56.2 | 0 | 0 | 0 | 0 | 112 | V4 R27 C28 V30 E41 R47 V48 | V4-V43 HydrophobicContact CG1-CG1 4.23Å; V4-V43 HydrophobicContact CG1-CG2 4.19Å; R27-V43 CarbonylContact C-O 3.51Å; R27-V43 WeakPolarHBondContact CA-O 3.35Å; R27-V43 WeakPolarHBondContact CB-O 3.28Å; C28-V43 PolarHBondContact N-O 3.3Å; C28-V43 PolarHBondContact O-N 3.36Å; V30-V43 HydrophobicContact CG1-CG2 3.84Å; V30-V43 HydrophobicContact CG2-CG1 3.8Å; V30-V43 HydrophobicContact CG2-CG2 3.93Å; E41-V43 HydrophobicContact CG-CG1 3.79Å; E41-V43 PolarHBondContact O-N 2.9Å; V43-R47 HydrophobicContact CB-CB 4.22Å; V43-V48 HydrophobicContact CG2-CG2 4.35Å |
| 44 | P | 97.2 | Very high | 95.6 | Very high | 50 Ų | 50 | 79.2 Ų | 79.2 | 33% | 0.325 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 151.7 | 163.2 | 31.4 | -36.2 | 0 | 0 | 0 | 110.8 | S46 R47 | P44-S46 PolarHBondContact O-N 3.13Å; P44-R47 HydrophobicContact CG-CG 4.23Å; P44-R47 PolarHBondContact O-N 3.35Å |
| 45 | F | 97 | Very high | 94.6 | Very high | 80 Ų | 80 | 81.6 Ų | 81.6 | 35% | 0.351 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -56.9 | -25.7 | 177.8 | -77.1 | 18 | 0 | 0 | 0 | 112.7 | I22 R26 C28 R47 V48 | I22-F45 HydrophobicContact CG2-CE1 4.49Å; I22-F45 HydrophobicContact CG2-CZ 4.1Å; R26-F45 HydrophobicContact CB-CB 4.47Å; R26-F45 HydrophobicContact CB-CD2 4.23Å; R26-F45 HydrophobicContact CB-CG 4.17Å; R26-F45 VanDerWaalsContact O-CD1 3.22Å; R26-F45 WeakPolarHBondContact O-CD1 3.11Å; R26-F45 PolarHBondContact O-N 3.17Å; C28-F45 HydrophobicContact CB-CE1 4Å; F45-R47 PolarHBondContact O-N 3.42Å; F45-R47 VanDerWaalsContact O-N 3.16Å; F45-V48 WeakPolarHBondContact O-CB 3.34Å; F45-V48 PolarHBondContact O-N 3.28Å |
| 46 | S | 96.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 83 Ų | 83 | 74% | 0.741 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -66.1 | -8.8 | 174.1 | 56.5 | 0 | 0 | 0 | 0 | 115.5 | P44 | P44-S46 PolarHBondContact O-N 3.13Š|
| 47 | R | 96.2 | Very high | 91.1 | Very high | 52 Ų | 52 | 82 Ų | 82 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -93.7 | -11.5 | 167.7 | -76 | 179.1 | 62.9 | -165.2 | -9.5 | 113 | V4 Q5 Y32 E41 V43 P44 F45 | V4-R47 CarbonylContact C-O 3.5Å; V4-R47 WeakPolarHBondContact CA-O 3.4Å; V4-R47 HydrophobicContact CG1-CB 4.29Å; Q5-R47 PolarHBondContact N-O 2.6Å; Q5-R47 VanDerWaalsContact O-CZ 3.24Å; Q5-R47 PolarHBondContact O-NE 2.99Å; Q5-R47 PolarHBondContact O-NH2 2.85Å; Y32-R47 PolarHBondContact OH-NH2 2.93Å; Y32-R47 VanDerWaalsContact OH-NH2 3.07Å; E41-R47 IonicContact OE1-CZ 3.63Å; E41-R47 IonicContact OE1-NH1 2.75Å; E41-R47 PolarHBondContact OE1-NH1 3.48Å; E41-R47 IonicContact OE1-NH2 3.65Å; E41-R47 PolarHBondContact OE1-NH2 3Å; E41-R47 IonicContact OE2-CZ 3.5Å; E41-R47 IonicContact OE2-NH1 3.6Å; E41-R47 PolarHBondContact OE2-NH1 3.12Å; E41-R47 IonicContact OE2-NH2 3.58Å; V43-R47 HydrophobicContact CB-CB 4.22Å; P44-R47 HydrophobicContact CG-CG 4.23Å; P44-R47 PolarHBondContact O-N 3.35Å; F45-R47 PolarHBondContact O-N 3.42Å; F45-R47 VanDerWaalsContact O-N 3.16Å |
| 48 | V | 96.9 | Very high | 89.2 | Confident | 41 Ų | 41 | 83.7 Ų | 83.7 | 25% | 0.248 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 116.7 | 175.9 | -172 | 0 | 0 | 0 | 0 | 107.6 | V2 L3 V4 V43 F45 | V2-V48 HydrophobicContact CB-CG1 4.16Å; V2-V48 HydrophobicContact CG1-CG1 4.36Å; L3-V48 CarbonylContact O-C 3.5Å; L3-V48 WeakPolarHBondContact O-CA 3.34Å; V4-V48 HydrophobicContact CG2-CG2 4.37Å; V43-V48 HydrophobicContact CG2-CG2 4.35Å; F45-V48 WeakPolarHBondContact O-CB 3.34Å; F45-V48 PolarHBondContact O-N 3.28Å |
| 49 | L | 95.7 | Very high | 87.2 | Confident | 103 Ų | 103 | 81.6 Ų | 81.6 | 54% | 0.539 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -21.2 | -173.3 | -59.2 | 179.7 | 0 | 0 | 0 | 113 | L3 Q5 A14 | L3-L49 HydrophobicContact CB-CB 4.25Å; L3-L49 PolarHBondContact O-N 2.86Å; Q5-L49 HydrophobicContact CB-CD1 4.4Å; A14-L49 HydrophobicContact CB-CD1 3.67Å |
| 50 | G | 95.6 | Very high | 85.2 | Confident | 30 Ų | 30 | 78.8 Ų | 78.8 | 31% | 0.309 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.5 | 169.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2 L3 | V2-G50 WeakPolarHBondContact CA-O 3.41Å; L3-G50 PolarHBondContact N-O 2.95Å |
| 51 | I | 95.6 | Very high | 83.2 | Confident | 148 Ų | 148 | 83.3 Ų | 83.3 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 139.2 | 165.8 | -59.1 | 175 | 0 | 0 | 0 | 107.1 | M1 V2 | M1-I51 WeakPolarHBondContact O-CG2 3.43Å; V2-I51 HydrophobicContact CG1-CG1 4.39Å |
| 52 | V | 93.1 | Very high | 81.2 | Confident | 19 Ų | 19 | 85.9 Ų | 85.9 | 12% | 0.115 | 46% | 0.463 | C | S | . | . | | | trans | -111.8 | 122 | 169.3 | 168.2 | 0 | 0 | 0 | 0 | 107 | M1 L3 | M1-V52 CarbonylContact C-O 3.55Å; M1-V52 PolarHBondContact N-O 3.47Å; M1-V52 PolarHBondContact O-N 3Å; M1-V52 VanDerWaalsContact O-O 3.07Å; L3-V52 HydrophobicContact CB-CG2 4.42Å; L3-V52 HydrophobicContact CD1-CG2 3.44Å; L3-V52 VanDerWaalsContact CD1-CG2 3.44Å; L3-V52 HydrophobicContact CG-CG2 3.48Å; L3-V52 VanDerWaalsContact CG-CG2 3.48Å |
| 53 | E | 89.3 | Confident | 79.1 | Confident | 144 Ų | 144 | 88.7 Ų | 88.7 | 67% | 0.673 | 48% | 0.48 | S | S | * | . | | | trans | -66.9 | 134.1 | 171.1 | -61.1 | -175.6 | 165.1 | 0 | 0 | 108.9 | E55 D56 | E53-E55 PolarHBondContact O-N 3.36Å; E53-D56 PolarHBondContact O-N 3.41Å |
| 54 | D | 78.1 | Confident | 77 | Confident | 84 Ų | 84 | 95.1 Ų | 95.1 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.6 | -171.1 | -63.6 | -37.2 | 0 | 0 | 0 | 112 | M1 D56 V57 | M1-D54 WeakPolarHBondContact CB-OD1 3.44Å; M1-D54 WeakPolarHBondContact CG-OD1 3.49Å; M1-D54 VanDerWaalsContact N-CG 3.31Å; M1-D54 PolarHBondContact N-OD1 3.13Å; M1-D54 PolarHBondContact N-OD2 3.46Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D54-D56 PolarHBondContact O-N 2.84Å; D54-V57 WeakPolarHBondContact O-CB 3.31Å; D54-V57 PolarHBondContact O-N 2.81Å; D54-V57 VanDerWaalsContact O-N 3.16Å |
| 55 | E | 76 | Confident | 75 | Confident | 136 Ų | 136 | 97.3 Ų | 97.3 | 64% | 0.636 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -52.9 | -40.8 | 170.2 | -69.8 | -69.6 | 109.4 | 0 | 0 | 113.4 | E53 V57 N58 | E53-E55 PolarHBondContact O-N 3.36Å; E55-V57 PolarHBondContact O-N 2.83Å; E55-N58 PolarHBondContact O-N 3.49Å |
| 56 | D | 62.9 | Low | 73 | Confident | 107 Ų | 107 | 97.9 Ų | 97.9 | 57% | 0.572 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.7 | -19.1 | -178.6 | -88 | -19.9 | 0 | 0 | 0 | 113.1 | E53 D54 | E53-D56 PolarHBondContact O-N 3.41Å; D54-D56 VanDerWaalsContact C-N 3.32Å; D54-D56 PolarHBondContact O-N 2.84Å |
| 57 | V | 58.6 | Low | 70.9 | Confident | 41 Ų | 41 | 97 Ų | 97 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -75.4 | -39 | -179.8 | -164.5 | 0 | 0 | 0 | 0 | 110.7 | K16 D54 E55 R59 | K16-V57 HydrophobicContact CD-CG2 4.44Å; D54-V57 WeakPolarHBondContact O-CB 3.31Å; D54-V57 PolarHBondContact O-N 2.81Å; D54-V57 VanDerWaalsContact O-N 3.16Å; E55-V57 PolarHBondContact O-N 2.83Å; V57-R59 VanDerWaalsContact C-N 3.3Å; V57-R59 PolarHBondContact O-N 3.21Å |
| 58 | N | 58.1 | Low | 68.9 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.2 | -17.6 | -176.1 | -68.4 | -29.7 | 0 | 0 | 0 | 113.7 | E55 | E55-N58 PolarHBondContact O-N 3.49Å |
| 59 | R | 56.7 | Low | 66.9 | Low | 186 Ų | 186 | 110.9 Ų | 110.9 | 70% | 0.702 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -25.3 | 177.7 | -88.8 | -170.7 | 171.4 | 117.7 | 1.7 | 114.5 | V57 | V57-R59 VanDerWaalsContact C-N 3.3Å; V57-R59 PolarHBondContact O-N 3.21Å |
| 60 | A | 56.3 | Low | 65 | Low | 68 Ų | 68 | 115.9 Ų | 115.9 | 56% | 0.562 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -40.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V62 | A60-V62 VanDerWaalsContact C-N 3.29Å; A60-V62 PolarHBondContact O-N 3.28Å |
| 61 | D | 54.6 | Low | 63.5 | Low | 141 Ų | 141 | 120.5 Ų | 120.5 | 75% | 0.754 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -5.2 | -171.8 | -68.2 | -23.6 | 0 | 0 | 0 | 114.3 | | |
| 62 | V | 56.5 | Low | 61.6 | Low | 105 Ų | 105 | 121.6 Ų | 121.6 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -12.7 | 179.4 | -178 | 0 | 0 | 0 | 0 | 112.6 | A60 | A60-V62 VanDerWaalsContact C-N 3.29Å; A60-V62 PolarHBondContact O-N 3.28Å |
| 63 | V | 54.5 | Low | 59.8 | Low | 105 Ų | 105 | 126.3 Ų | 126.3 | 64% | 0.636 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -87.2 | -16.1 | -171 | -176.4 | 0 | 0 | 0 | 0 | 113.8 | S66 | V63-S66 PolarHBondContact O-OG 3.49Š|
| 64 | D | 52.6 | Low | 58.3 | Low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -4.7 | -178.1 | -139.8 | 3.6 | 0 | 0 | 0 | 114.2 | | |
| 65 | A | 55.2 | Low | 57.8 | Low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 66 | S | 54.4 | Low | 56.8 | Low | 92 Ų | 92 | 129.7 Ų | 129.7 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -114.4 | -4.3 | -170.7 | 49 | 0 | 0 | 0 | 0 | 115 | V63 N68 | V63-S66 PolarHBondContact O-OG 3.49Å; S66-N68 PolarHBondContact O-N 3.49Å |
| 67 | S | 52.6 | Low | 56.8 | Low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -10.1 | -176.1 | -162.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 68 | N | 54.2 | Low | 57.1 | Low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.8 | 32.7 | -170.8 | -79.8 | -37.1 | 0 | 0 | 0 | 115.9 | S66 | S66-N68 PolarHBondContact O-N 3.49Š|
| 69 | R | 53.4 | Low | 57.1 | Low | 236 Ų | 236 | 137.7 Ų | 137.7 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | | | trans | -121.8 | 58.4 | 166.5 | -75.5 | -167.3 | -177.8 | 175.7 | 3.6 | 113.3 | | |
| 70 | K | 56.4 | Low | 57.4 | Low | 207 Ų | 207 | 135 Ų | 135 | 90% | 0.9 | 75% | 0.754 | S | S | * | * | | | trans | -97 | 65.5 | 155 | -164.7 | 175.2 | -177.3 | 177.9 | 0 | 109.7 | | |
| 71 | V | 64.1 | Low | 57.7 | Low | 127 Ų | 127 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | -93.7 | 130 | 166.8 | 174.5 | 0 | 0 | 0 | 0 | 107.5 | S73 | V71-S73 PolarHBondContact O-N 2.77Š|
| 72 | E | 57.1 | Low | 57.6 | Low | 172 Ų | 172 | 138.7 Ų | 138.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -61.9 | 117.2 | -175.7 | -65.5 | 151.6 | 111.4 | 0 | 0 | 111.8 | | |
| 73 | S | 54.1 | Low | 57.8 | Low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -101.4 | 74.4 | 157.4 | 62.9 | 0 | 0 | 0 | 0 | 108.6 | V71 D75 | V71-S73 PolarHBondContact O-N 2.77Å; S73-D75 PolarHBondContact O-N 2.93Å |
| 74 | S | 58.8 | Low | 57.8 | Low | 105 Ų | 105 | 150.4 Ų | 150.4 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | trans | -70.8 | 109.3 | 167.9 | -66.8 | 0 | 0 | 0 | 0 | 108.6 | | |
| 75 | D | 66.2 | Low | 58.1 | Low | 158 Ų | 158 | 147.8 Ų | 147.8 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -67.4 | 145 | -174.4 | -152.8 | -7.1 | 0 | 0 | 0 | 111.9 | S73 | S73-D75 PolarHBondContact O-N 2.93Š|
| 76 | E | 56.7 | Low | 58.2 | Low | 173 Ų | 173 | 152.7 Ų | 152.7 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | trans | -75 | 135.2 | -172.9 | -68.9 | -177.5 | 72.4 | 0 | 0 | 111.8 | | |
| 77 | T | 62.7 | Low | 58.4 | Low | 128 Ų | 128 | 156.5 Ų | 156.5 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | | | trans | -156.1 | 104.1 | 141.9 | 6.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 78 | K | 64.4 | Low | 58.5 | Low | 186 Ų | 186 | 161.9 Ų | 161.9 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | | | trans | 62.8 | 116.8 | 132.7 | -74.3 | -177.6 | 178.7 | 174 | 0 | 121.5 | | |
| 79 | V | 58.2 | Low | 58.4 | Low | 118 Ų | 118 | 160.1 Ų | 160.1 | 72% | 0.715 | 79% | 0.787 | S | S | * | * | | | | 98.3 | 134.6 | 123.4 | 171.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 80 | T | 61.8 | Low | 58.4 | Low | 130 Ų | 130 | 154.8 Ų | 154.8 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | 62.9 | 138.7 | 170.5 | 38.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 81 | E | 63.4 | Low | 58.3 | Low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | cis | -159.7 | 156.7 | -17.4 | -138.9 | -139.7 | 129.5 | 0 | 0 | 107.1 | | |
| 82 | P | 53.5 | Low | 57.8 | Low | 107 Ų | 107 | 150.8 Ų | 150.8 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | | | trans | -99.2 | 140.2 | -167.1 | 36.1 | -31.4 | 0 | 0 | 0 | 114.1 | | |
| 83 | R | 59.4 | Low | 57.8 | Low | 226 Ų | 226 | 146.3 Ų | 146.3 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -158.5 | 119.1 | 158.3 | -116.8 | 164.1 | -169.2 | 178.6 | 4.9 | 115 | | |
| 84 | R | 54.9 | Low | 57.9 | Low | 230 Ų | 230 | 149.3 Ų | 149.3 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | 55 | 135.9 | 140.6 | -75.2 | -179.8 | 173.3 | 172.2 | -2.6 | 118.7 | | |
| 85 | A | 58.8 | Low | 57.9 | Low | 81 Ų | 81 | 150.7 Ų | 150.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | | | cis | -172.6 | 170.4 | 2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 86 | R | 57.6 | Low | 57.5 | Low | 200 Ų | 200 | 155 Ų | 155 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | 72.1 | 114.4 | 145.1 | -84.3 | -179.5 | 166.1 | -168.7 | -1.8 | 119.9 | | |
| 87 | R | 57.9 | Low | 57.1 | Low | 171 Ų | 171 | 150.9 Ų | 150.9 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | | | | 75.9 | 144.6 | 127.4 | -65.4 | 177.6 | 171.9 | -154.6 | -4.9 | 116.4 | | |
| 88 | R | 54.3 | Low | 56.7 | Low | 202 Ų | 202 | 148.6 Ų | 148.6 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | | | cis | -153.3 | 141.4 | 1.7 | -127.3 | 164.7 | 178.4 | -178.9 | -7.5 | 108.6 | | |
| 89 | S | 52.6 | Low | 56.2 | Low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | | | trans | -70.1 | 149 | 167.9 | 41.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 90 | S | 53.5 | Low | 56.5 | Low | 125 Ų | 125 | 147.8 Ų | 147.8 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | | | trans | -156.8 | 139.8 | 150.5 | -87.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 91 | S | 53.9 | Low | 56.6 | Low | 115 Ų | 115 | 147.6 Ų | 147.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -88.2 | 165.4 | -162.3 | -52.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 92 | P | 54.1 | Low | 55.9 | Low | 134 Ų | 134 | 143.9 Ų | 143.9 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | | | trans | -77.8 | 148.8 | 178.7 | 32.4 | -35.7 | 0 | 0 | 0 | 112.9 | | |
| 93 | G | 57.6 | Low | 55.4 | Low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | | | trans | -117.9 | 126.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 94 | L | 54.9 | Low | 54.9 | Low | 179 Ų | 179 | 141.3 Ų | 141.3 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | | | trans | -94.7 | 120 | 176.3 | -69.5 | 165.8 | 0 | 0 | 0 | 111.5 | | |
| 95 | T | 59.7 | Low | 54.6 | Low | 135 Ų | 135 | 136.3 Ų | 136.3 | 83% | 0.828 | 82% | 0.818 | S | S | * | * | | | trans | -147.8 | 123.3 | 154.3 | 46.8 | 0 | 0 | 0 | 0 | 106.5 | | |
| 96 | R | 58.5 | Low | 54.4 | Low | 249 Ų | 249 | 138.1 Ų | 138.1 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | | | cis | 74.6 | 96.2 | 49.9 | -164.2 | -178.3 | -171.5 | -177.5 | 3.9 | 113.9 | | |
| 97 | G | 48.6 | Very low | 54.2 | Low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | | | trans | 95.8 | 126.9 | 153.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 98 | G | 52.8 | Low | 54 | Low | 81 Ų | 81 | 136 Ų | 136 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | | | trans | 175.6 | 108.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 99 | S | 54.6 | Low | 54.2 | Low | 120 Ų | 120 | 135.9 Ų | 135.9 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -74.5 | 158.3 | -171.7 | -50.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 100 | L | 63.4 | Low | 54.4 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | | | trans | -59.2 | 157.1 | 162.1 | -63.5 | 168 | 0 | 0 | 0 | 111.5 | | |
| 101 | P | 64.2 | Low | 54.5 | Low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 83% | 0.834 | S | S | * | * | | | | -135.8 | 164.9 | 119.8 | 38.3 | -29.4 | 0 | 0 | 0 | 114.3 | | |
| 102 | S | 49.5 | Very low | 54.2 | Low | 101 Ų | 101 | 137.4 Ų | 137.4 | 71% | 0.706 | 84% | 0.835 | S | S | * | * | | | trans | -85.1 | 165.6 | -171.9 | -40.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 103 | D | 43.6 | Very low | 54.1 | Low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | | | trans | 46.9 | 116.8 | 144.7 | -54.5 | -32.2 | 0 | 0 | 0 | 120.8 | | |
| 104 | S | 48 | Very low | 53.7 | Low | 127 Ų | 127 | 137.9 Ų | 137.9 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | trans | -160.3 | 119.9 | 141.1 | -83.4 | 0 | 0 | 0 | 0 | 112 | | |
| 105 | S | 47.7 | Very low | 53.4 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | | | trans | -77.5 | 142.3 | 171.6 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 106 | S | 54.7 | Low | 53.2 | Low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | | | trans | -164 | 145.3 | 155 | -169.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 107 | S | 53.6 | Low | 52.8 | Low | 95 Ų | 95 | 129.1 Ų | 129.1 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | | | trans | -92.9 | 153.3 | -179.1 | 58 | 0 | 0 | 0 | 0 | 113 | | |
| 108 | R | 55 | Low | 53 | Low | 232 Ų | 232 | 134 Ų | 134 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | 169 | 123.9 | 136.1 | -88.8 | 150.5 | -169.4 | -143 | 3.6 | 108.9 | | |
| 109 | K | 57.3 | Low | 53 | Low | 198 Ų | 198 | 136 Ų | 136 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | | 85.3 | 143.8 | 67 | -112.8 | -176.2 | 179.7 | 179.6 | 0 | 114.2 | | |
| 110 | S | 57.1 | Low | 53.1 | Low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | | | trans | 81.2 | 146.7 | 176.8 | 83.3 | 0 | 0 | 0 | 0 | 115.8 | | |
| 111 | S | 54.9 | Low | 52.8 | Low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | cis | -151.6 | 157.3 | 0.8 | 59 | 0 | 0 | 0 | 0 | 114.4 | | |
| 112 | L | 47.5 | Very low | 52.2 | Low | 158 Ų | 158 | 139.9 Ų | 139.9 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | | | trans | -1.8 | 150.3 | 151.6 | -62.8 | 120.6 | 0 | 0 | 0 | 120.1 | | |
| 113 | V | 53.6 | Low | 52.7 | Low | 130 Ų | 130 | 144.2 Ų | 144.2 | 79% | 0.788 | 81% | 0.814 | S | S | * | * | | | | -165.4 | 121.1 | 74.9 | 162.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 114 | A | 47.6 | Very low | 52.9 | Low | 92 Ų | 92 | 148.4 Ų | 148.4 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | | | | 53.4 | 144.2 | 97.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 115 | A | 50.4 | Low | 53.3 | Low | 90 Ų | 90 | 147.1 Ų | 147.1 | 74% | 0.744 | 81% | 0.809 | S | S | * | * | | | cis | -164.3 | 153.2 | -11.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 116 | K | 55.1 | Low | 53.7 | Low | 197 Ų | 197 | 148.7 Ų | 148.7 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | | 167.1 | 134.1 | 99.9 | -91.5 | -179.7 | 174.1 | 179.2 | 0 | 108.8 | | |
| 117 | A | 49.3 | Very low | 53.3 | Low | 92 Ų | 92 | 148.6 Ų | 148.6 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | | | | 63.4 | 134.7 | 107.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 118 | E | 53.9 | Low | 53.2 | Low | 187 Ų | 187 | 149.7 Ų | 149.7 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | cis | -143.6 | 169.7 | 22.6 | -71.3 | -167.7 | 140.3 | 0 | 0 | 114.7 | | |
| 119 | P | 51.6 | Low | 52.8 | Low | 125 Ų | 125 | 146.7 Ų | 146.7 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -114.5 | 160 | 179 | 40.4 | -30.6 | 0 | 0 | 0 | 116.1 | | |
| 120 | S | 57.9 | Low | 52.8 | Low | 119 Ų | 119 | 145.5 Ų | 145.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | | | trans | -145.6 | 97 | 169.9 | -165.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 121 | L | 55.3 | Low | 52.5 | Low | 146 Ų | 146 | 148.7 Ų | 148.7 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | | | trans | 20.1 | 146.1 | 142.4 | -61.5 | 175.1 | 0 | 0 | 0 | 125.4 | | |
| 122 | R | 53.6 | Low | 52.3 | Low | 227 Ų | 227 | 147.9 Ų | 147.9 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | | | trans | 77.3 | 136.8 | 146.6 | -78.4 | 165.9 | 173 | -174.2 | -1.8 | 117.6 | | |
| 123 | K | 58.4 | Low | 52.5 | Low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 81% | 0.811 | S | S | * | * | | | cis | -139 | 141.9 | 7.3 | -63.9 | 163.9 | 178.4 | 166.2 | 0 | 108.3 | | |
| 124 | R | 49.1 | Very low | 52.1 | Low | 239 Ų | 239 | 145.5 Ų | 145.5 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | | 79.3 | 135 | 63.1 | -126 | -173.5 | -169.3 | -165 | 1.8 | 115.6 | | |
| 125 | S | 55 | Low | 52.4 | Low | 99 Ų | 99 | 146.9 Ų | 146.9 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | trans | 81.2 | 136.3 | 165.8 | -72.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 126 | N | 56.1 | Low | 52.1 | Low | 158 Ų | 158 | 146.1 Ų | 146.1 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | cis | -148.9 | 169.8 | 4.4 | -87.6 | -22.7 | 0 | 0 | 0 | 112.8 | | |
| 127 | S | 47.5 | Very low | 51.9 | Low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | | | trans | -143.5 | 135.1 | -177.6 | 57.3 | 0 | 0 | 0 | 0 | 114 | | |
| 128 | S | 51 | Low | 51.5 | Low | 118 Ų | 118 | 152.7 Ų | 152.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | -171 | 125.2 | 161.5 | 51.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 129 | L | 47.3 | Very low | 51.3 | Low | 169 Ų | 169 | 149.8 Ų | 149.8 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | | | cis | 81.5 | 77.7 | 34.7 | -157.4 | 92.4 | 0 | 0 | 0 | 115.5 | | |
| 130 | E | 55.9 | Low | 50.7 | Low | 173 Ų | 173 | 150.3 Ų | 150.3 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | | | trans | -135 | 124.6 | 155.1 | -72 | -85.8 | 101 | 0 | 0 | 104.3 | | |
| 131 | K | 52.6 | Low | 50.1 | Low | 190 Ų | 190 | 150.2 Ų | 150.2 | 83% | 0.826 | 82% | 0.824 | S | S | * | * | | | | 58.5 | 132.5 | 72.8 | -77.2 | -177.2 | 176.7 | 177.6 | 0 | 113.2 | | |
| 132 | A | 49.1 | Very low | 49.7 | Very low | 86 Ų | 86 | 152.6 Ų | 152.6 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | | | cis | -160.1 | -176.4 | 6.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 133 | S | 52.2 | Low | 48.9 | Very low | 119 Ų | 119 | 147.5 Ų | 147.5 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | | | trans | 67.1 | 120.5 | 158.7 | -50.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 134 | S | 45.4 | Very low | 48.5 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | | | cis | 75.2 | 87.1 | 12.6 | -177.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 135 | S | 53.2 | Low | 48.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | | -176.2 | 133.5 | 129 | 51.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 136 | G | 44.1 | Very low | 47.9 | Very low | 74 Ų | 74 | 142.1 Ų | 142.1 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | | | trans | 83.4 | 156 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 137 | E | 51.4 | Low | 47.3 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | | | cis | -153 | 152.8 | -19.9 | -96.9 | -174.3 | 142.3 | 0 | 0 | 107.3 | | |
| 138 | Y | 40.5 | Very low | 47.3 | Very low | 232 Ų | 232 | 149.5 Ų | 149.5 | 91% | 0.91 | 84% | 0.838 | S | S | * | * | | | trans | -93.1 | 142 | 176.1 | -69.3 | -88 | 0 | 0 | 0 | 111.2 | | |
| 139 | S | 50.5 | Low | 47.1 | Very low | 127 Ų | 127 | 149.2 Ų | 149.2 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | | | trans | -149.6 | 111.8 | 163.3 | -83.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 140 | T | 39 | Very low | 47.1 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | | | trans | -108.8 | 115.7 | 174.7 | 17.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 141 | T | 44.2 | Very low | 46.5 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 83% | 0.833 | S | S | * | * | | | trans | -157.4 | 127.5 | 157.9 | 30.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 142 | K | 48.6 | Very low | 46 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 85% | 0.848 | 84% | 0.835 | S | S | * | * | | | trans | 68.3 | 117 | 132.7 | -63.9 | 173.3 | -178.3 | 175.5 | 0 | 120.8 | | |
| 143 | S | 36.7 | Very low | 45.8 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 84% | 0.839 | 84% | 0.838 | S | S | * | * | | | trans | -69.9 | 148.8 | 156.5 | -35.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 144 | T | 49.2 | Very low | 45.4 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -148.5 | 142 | 153.6 | 16.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 145 | A | 40.3 | Very low | 45.5 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | | | trans | -101 | 151.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 146 | I | 50.5 | Low | 45.2 | Very low | 174 Ų | 174 | 143 Ų | 143 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | | | trans | -132.2 | 133.5 | 166.1 | -61.5 | -176.7 | 0 | 0 | 0 | 109.9 | | |
| 147 | K | 45.1 | Very low | 45.6 | Very low | 194 Ų | 194 | 145 Ų | 145 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | | | trans | -101.6 | 150.3 | 174.6 | -91.3 | 178.7 | 170 | 177.5 | 0 | 110.7 | | |
| 148 | R | 46.6 | Very low | 45.5 | Very low | 236 Ų | 236 | 142.8 Ų | 142.8 | 89% | 0.891 | 83% | 0.829 | S | S | * | * | | | trans | 154.1 | 117.1 | 141 | -86.7 | 163.3 | 169 | -170.7 | -5 | 108.5 | | |
| 149 | S | 47.9 | Very low | 45.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | | | | 58.2 | 122.9 | 71.5 | 74.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 150 | G | 46.6 | Very low | 45.7 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | | | cis | 176.5 | -175.2 | -0.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 151 | T | 43.4 | Very low | 46.2 | Very low | 148 Ų | 148 | 143.8 Ų | 143.8 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | | | trans | 33 | 123.6 | 155.4 | 52.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 152 | A | 41.9 | Very low | 46.5 | Very low | 105 Ų | 105 | 144.1 Ų | 144.1 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -137.5 | 140.8 | 150.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 153 | T | 44.6 | Very low | 46.4 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -141.3 | 129.6 | 178.7 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | | |
| 154 | S | 44.5 | Very low | 47 | Very low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | | | trans | 57.5 | 161.1 | 169 | 92.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 155 | T | 46.4 | Very low | 47.3 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | | | cis | -153.6 | 160.3 | 4.6 | -8.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 156 | E | 48 | Very low | 47.8 | Very low | 176 Ų | 176 | 149.2 Ų | 149.2 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | 6.6 | 131.4 | 156 | -57.1 | 175.6 | 120.9 | 0 | 0 | 120.7 | | |
| 157 | S | 51.4 | Low | 47.8 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | | 175.9 | 133 | 107 | 43.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 158 | V | 49.7 | Very low | 48.1 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | 17.7 | 125.2 | 139 | -170.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 159 | G | 45.5 | Very low | 48.4 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | | 138.2 | 109.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 160 | R | 49.7 | Very low | 48.6 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | 60.4 | 110.6 | 136.2 | -62.8 | -178.5 | 174 | -171 | -1.7 | 121.4 | | |
| 161 | K | 50.4 | Low | 48.5 | Very low | 209 Ų | 209 | 143.8 Ų | 143.8 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | | | | 34.5 | 120.2 | 123.9 | -58.5 | -177.8 | 179.1 | -174.7 | 0 | 119.4 | | |
| 162 | S | 48.9 | Very low | 48.6 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -163 | 148.8 | 131.1 | -161.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 163 | S | 47.7 | Very low | 48.9 | Very low | 104 Ų | 104 | 142.2 Ų | 142.2 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -105.7 | 152 | -179.5 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 164 | R | 48.5 | Very low | 49.3 | Very low | 223 Ų | 223 | 143.7 Ų | 143.7 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | | | trans | 175.5 | 151.9 | 166.7 | -98.6 | 157.8 | -166 | -146 | 8.2 | 108.2 | | |
| 165 | K | 55.6 | Low | 49.8 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 70% | 0.7 | 80% | 0.799 | S | S | * | * | | | cis | -169.1 | 144 | -17.7 | -116.5 | -172.4 | -176.7 | -172 | 0 | 109 | | |
| 166 | F | 50.4 | Low | 49.7 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | | | trans | 26.8 | 126.4 | 153.2 | -56.3 | -67.8 | 0 | 0 | 0 | 124.3 | | |
| 167 | A | 52 | Low | 50.1 | Low | 98 Ų | 98 | 145.6 Ų | 145.6 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | | | | -156.4 | 130.9 | 121.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 168 | K | 51.1 | Low | 49.9 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | cis | 83.3 | 129.9 | 17.8 | -157.6 | 172.7 | -176 | 178.4 | 0 | 115.7 | | |
| 169 | L | 51.8 | Low | 50 | Low | 175 Ų | 175 | 143.5 Ų | 143.5 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | 89 | 132.2 | -175.2 | -54.1 | 166.4 | 0 | 0 | 0 | 113.1 | | |
| 170 | G | 51.7 | Low | 50.2 | Low | 73 Ų | 73 | 148 Ų | 148 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | cis | -155.8 | 179.5 | 2.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 171 | T | 44.8 | Very low | 50.5 | Low | 140 Ų | 140 | 148.3 Ų | 148.3 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | | | trans | -131.6 | 139.8 | -167.7 | 48.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 172 | S | 46.1 | Very low | 50.2 | Low | 106 Ų | 106 | 144.2 Ų | 144.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | 177.3 | 113.2 | 148.6 | 50.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 173 | T | 47.8 | Very low | 50.8 | Low | 115 Ų | 115 | 144 Ų | 144 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | | 72.2 | 134.4 | 77.3 | 44 | 0 | 0 | 0 | 0 | 117.6 | | |
| 174 | E | 53.4 | Low | 51.1 | Low | 158 Ų | 158 | 146 Ų | 146 | 74% | 0.738 | 79% | 0.793 | S | S | * | * | | | trans | 71.3 | 124.6 | 153.5 | -67.4 | 152.7 | -136 | 0 | 0 | 117.6 | | |
| 175 | N | 54.4 | Low | 51.6 | Low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | | -164.7 | -178.9 | 51.4 | -106.5 | -44.4 | 0 | 0 | 0 | 115.6 | | |
| 176 | E | 45.2 | Very low | 51.5 | Low | 183 Ų | 183 | 142.2 Ų | 142.2 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | | | trans | -88.1 | 177.1 | -161.6 | -105.2 | -142 | 119 | 0 | 0 | 118.9 | | |
| 177 | P | 56.4 | Low | 51.3 | Low | 99 Ų | 99 | 137.6 Ų | 137.6 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | trans | -107 | 175.2 | -169.3 | 42.3 | -35.6 | 0 | 0 | 0 | 115.7 | | |
| 178 | S | 45.8 | Very low | 51.2 | Low | 115 Ų | 115 | 140.4 Ų | 140.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | 165.1 | 139.7 | 136.3 | 48 | 0 | 0 | 0 | 0 | 114.6 | | |
| 179 | S | 52 | Low | 51 | Low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | | 161.4 | 117.7 | 113.7 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 180 | L | 50.8 | Low | 51.3 | Low | 160 Ų | 160 | 137 Ų | 137 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | trans | 42.1 | 119.3 | 132.1 | -62 | 163.1 | 0 | 0 | 0 | 121 | | |
| 181 | R | 55.5 | Low | 50.9 | Low | 249 Ų | 249 | 141.5 Ų | 141.5 | 94% | 0.94 | 79% | 0.789 | S | S | * | * | | | | -158.3 | 129.3 | 110 | -80.5 | -141.9 | 174.1 | -170.4 | -3.7 | 112.1 | | |
| 182 | T | 44.7 | Very low | 51.5 | Low | 122 Ų | 122 | 146.6 Ų | 146.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | -141 | 146.3 | 170.3 | 34.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 183 | S | 61.9 | Low | 51.5 | Low | 119 Ų | 119 | 148.7 Ų | 148.7 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | | | trans | -162.7 | 110.1 | 162.6 | -51.4 | 0 | 0 | 0 | 0 | 104.6 | | |
| 184 | D | 52.4 | Low | 51.8 | Low | 146 Ų | 146 | 152.5 Ų | 152.5 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | | | | 70.4 | 104.6 | 60.4 | -76.7 | -22.1 | 0 | 0 | 0 | 115.6 | | |
| 185 | D | 59.8 | Low | 51.5 | Low | 152 Ų | 152 | 151.5 Ų | 151.5 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 179 | 110.1 | 143.2 | -100.4 | -24 | 0 | 0 | 0 | 106.2 | | |
| 186 | L | 54.3 | Low | 51.4 | Low | 154 Ų | 154 | 150.7 Ų | 150.7 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | | | | 63.9 | 134.2 | 62.8 | -59.9 | 177.3 | 0 | 0 | 0 | 114.2 | | |
| 187 | A | 45.2 | Very low | 51.5 | Low | 80 Ų | 80 | 147.7 Ų | 147.7 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | | | cis | -170 | 176.4 | -18.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 188 | I | 50.3 | Low | 50.9 | Low | 157 Ų | 157 | 148 Ų | 148 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | | | trans | 78.6 | 125.5 | 160.2 | -53.9 | -172.9 | 0 | 0 | 0 | 119.5 | | |
| 189 | P | 47.2 | Very low | 51.3 | Low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -103.8 | 174.1 | 167.8 | 40.7 | -35.2 | 0 | 0 | 0 | 114.2 | | |
| 190 | L | 57.5 | Low | 50.9 | Low | 170 Ų | 170 | 153.6 Ų | 153.6 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | | | trans | -147.6 | 134.4 | 167.7 | -142.6 | 92.5 | 0 | 0 | 0 | 113.9 | | |
| 191 | E | 43.4 | Very low | 51.3 | Low | 167 Ų | 167 | 152.4 Ų | 152.4 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -80.6 | 164.2 | 176.3 | -59.2 | 175.1 | 106.2 | 0 | 0 | 113.9 | | |
| 192 | R | 57.6 | Low | 50.8 | Low | 248 Ų | 248 | 147.2 Ų | 147.2 | 94% | 0.936 | 79% | 0.791 | S | S | * | * | | | trans | -145.8 | 130.9 | 136 | -80.7 | -156.4 | 172 | 162.5 | -0.5 | 112.9 | | |
| 193 | Q | 45.9 | Very low | 51.1 | Low | 149 Ų | 149 | 145.5 Ų | 145.5 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | | | trans | -77.8 | 158 | 170.8 | -59.9 | 165.3 | -78.1 | 0 | 0 | 112.9 | | |
| 194 | Q | 54.4 | Low | 50.4 | Low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 79% | 0.793 | S | S | * | * | | | trans | -178.4 | 107.6 | 135.8 | -99.8 | 167.3 | 21.7 | 0 | 0 | 106.4 | | |
| 195 | D | 46.5 | Very low | 50.4 | Low | 137 Ų | 137 | 143.7 Ų | 143.7 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | cis | 96.8 | 146.6 | 33.4 | -150 | 9.6 | 0 | 0 | 0 | 113.4 | | |
| 196 | I | 52.7 | Low | 49.8 | Very low | 138 Ų | 138 | 146 Ų | 146 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | | | trans | 94.3 | 97.4 | 168.6 | -50.2 | -169.4 | 0 | 0 | 0 | 120.9 | | |
| 197 | T | 46.3 | Very low | 49.4 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 44 | 125.1 | 139.5 | 68.3 | 0 | 0 | 0 | 0 | 122 | | |
| 198 | S | 45.5 | Very low | 49.4 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | | | | 72.6 | 118 | 60.3 | -167.5 | 0 | 0 | 0 | 0 | 116 | | |
| 199 | N | 53.7 | Low | 49.3 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | | | trans | -164.8 | 154.8 | 144.1 | -101.4 | -28.5 | 0 | 0 | 0 | 112.1 | | |
| 200 | Q | 44.2 | Very low | 49.1 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | trans | -134.1 | 136 | -161.6 | 164.6 | -163 | 19.6 | 0 | 0 | 109.6 | | |
| 201 | V | 58.7 | Low | 49 | Very low | 136 Ų | 136 | 143 Ų | 143 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -165.1 | 144.8 | 143.4 | -106.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 202 | D | 44.7 | Very low | 49.1 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | | | trans | -42.3 | 166.4 | 170.7 | -47.9 | -65.5 | 0 | 0 | 0 | 116.3 | | |
| 203 | A | 49.9 | Very low | 48.6 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | cis | -177.6 | 144.7 | 49.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 204 | V | 48.2 | Very low | 48.6 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | | | trans | 53.4 | 126.6 | 133.1 | -176.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 205 | G | 52.9 | Low | 48.3 | Very low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | 178.5 | 107.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 206 | Q | 46.2 | Very low | 48.4 | Very low | 199 Ų | 199 | 129.1 Ų | 129.1 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | | | trans | -111.6 | 146.8 | 180 | -70.7 | -177.2 | -11.6 | 0 | 0 | 113.7 | | |
| 207 | A | 46.3 | Very low | 48.2 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | 175.2 | 127.5 | 138.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 208 | K | 45.5 | Very low | 48.2 | Very low | 210 Ų | 210 | 131.2 Ų | 131.2 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | | | | 58.7 | 135.3 | 68.1 | -79.2 | -161.4 | 173.6 | -171 | 0 | 114.6 | | |
| 209 | A | 48.2 | Very low | 48.3 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 58% | 0.579 | 79% | 0.789 | S | S | * | * | | | cis | -167.8 | 167.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 210 | D | 43.3 | Very low | 48 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | | | trans | 55.4 | 140 | 150 | -50.6 | -28.2 | 0 | 0 | 0 | 123 | | |
| 211 | G | 55.2 | Low | 48 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 169.9 | 82.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 212 | T | 46.2 | Very low | 47.6 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -46 | 144 | 173.6 | 42.4 | 0 | 0 | 0 | 0 | 118.5 | | |
| 213 | S | 45.4 | Very low | 48.2 | Very low | 104 Ų | 104 | 121.4 Ų | 121.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | | 20.6 | 152.3 | 125.7 | 78.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 214 | S | 46.7 | Very low | 48.2 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | | | cis | -174.4 | 152.5 | 30.2 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 215 | E | 47.6 | Very low | 48.3 | Very low | 174 Ų | 174 | 123.5 Ų | 123.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | trans | 78.3 | 146.6 | 132.4 | -155.5 | -174.1 | 139.3 | 0 | 0 | 124 | | |
| 216 | S | 49.2 | Very low | 48.1 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | trans | 78.2 | 149.8 | 154.9 | 78.7 | 0 | 0 | 0 | 0 | 119 | | |
| 217 | V | 47.6 | Very low | 48.1 | Very low | 118 Ų | 118 | 125.1 Ų | 125.1 | 72% | 0.715 | 75% | 0.752 | S | S | * | * | | | cis | -170.7 | 145.2 | -26.3 | 121.6 | 0 | 0 | 0 | 0 | 108 | | |
| 218 | E | 46.5 | Very low | 48.4 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | | | trans | 54.1 | 163.5 | 158 | -74.4 | -176.7 | 157.8 | 0 | 0 | 121 | | |
| 219 | A | 47.9 | Very low | 48.3 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | | | cis | -164.5 | 170.9 | -23.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 220 | A | 47.1 | Very low | 48 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | 86.6 | 133.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 221 | S | 44.4 | Very low | 48.3 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | 75.5 | 147.6 | 144.2 | -67.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 222 | S | 50.9 | Low | 47.8 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | cis | -172.4 | 167.5 | -28.4 | -120.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 223 | P | 57.2 | Low | 47.7 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | -106.3 | 169.8 | -160.9 | 40.2 | -36.8 | 0 | 0 | 0 | 117.2 | | |
| 224 | M | 50.7 | Low | 47.8 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -144.3 | 127.8 | 165.4 | -79.7 | -164.3 | 70.9 | 0 | 0 | 109.9 | | |
| 225 | I | 50 | Low | 47.5 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | | | | 71.9 | 123.9 | 72.1 | -68.9 | 172 | 0 | 0 | 0 | 110.3 | | |
| 226 | K | 49 | Very low | 47.3 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | cis | -163.2 | 154.4 | 20.3 | -122.9 | 164.6 | -166.4 | 171.5 | 0 | 113.6 | | |
| 227 | Q | 45.3 | Very low | 46.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | trans | 25.9 | 141.2 | 139.9 | -65.4 | 171.7 | -52.3 | 0 | 0 | 122.6 | | |
| 228 | F | 53 | Low | 46.8 | Very low | 201 Ų | 201 | 133 Ų | 133 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | | -172 | 142 | 106.5 | -93.5 | -63.6 | 0 | 0 | 0 | 114.3 | | |
| 229 | A | 43.9 | Very low | 46.7 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | 28.5 | 127.2 | 157 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 230 | E | 41.9 | Very low | 46.7 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | cis | 75.2 | 116.8 | 48.5 | -166.6 | 174.6 | -141 | 0 | 0 | 114.5 | | |
| 231 | I | 49.1 | Very low | 46.7 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | | | trans | 173.5 | 113.3 | 133.2 | -85.2 | 154.4 | 0 | 0 | 0 | 110.6 | | |
| 232 | E | 45.2 | Very low | 46.5 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | | | trans | 41.8 | 141.6 | 141.7 | -52.6 | -173.3 | 130.3 | 0 | 0 | 124.5 | | |
| 233 | S | 43.3 | Very low | 46.1 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -86.6 | 174 | 172 | -45.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 234 | P | 47.9 | Very low | 45.2 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | | -143 | 157.4 | 115.5 | 36.2 | -22.5 | 0 | 0 | 0 | 116.9 | | |
| 235 | S | 39.8 | Very low | 45.2 | Very low | 93 Ų | 93 | 146.3 Ų | 146.3 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | -64.6 | 146.4 | 173.4 | 39.8 | 0 | 0 | 0 | 0 | 116 | | |
| 236 | N | 43 | Very low | 44.7 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | | 160.4 | 149 | 108.9 | -88.4 | -47 | 0 | 0 | 0 | 116.3 | | |
| 237 | S | 40.9 | Very low | 44.6 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | 58.6 | 123.5 | 151.7 | 64.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 238 | S | 46.7 | Very low | 44.4 | Very low | 116 Ų | 116 | 143.8 Ų | 143.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | | 177.7 | 152.4 | 61.7 | 40.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 239 | L | 44.3 | Very low | 43.9 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -75.5 | -177.8 | 165.7 | -72.1 | 161.5 | 0 | 0 | 0 | 110.9 | | |
| 240 | P | 48.1 | Very low | 43.9 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | | | cis | -135 | 179 | -4.2 | 29.7 | -7.2 | 0 | 0 | 0 | 115 | | |
| 241 | R | 46.1 | Very low | 43.9 | Very low | 223 Ų | 223 | 152.6 Ų | 152.6 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | | | | 165.8 | 129.6 | 117.7 | -91.2 | 171.3 | 179.1 | 170.4 | 1.5 | 115.9 | | |
| 242 | N | 39.6 | Very low | 43.6 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | -11.6 | 133 | 152.8 | -50.9 | -20.2 | 0 | 0 | 0 | 118.8 | | |
| 243 | F | 42.8 | Very low | 43.7 | Very low | 192 Ų | 192 | 150 Ų | 150 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -127.5 | 121.4 | 143.8 | -94.3 | -87.3 | 0 | 0 | 0 | 110.2 | F245 | F243-F245 HydrophobicContact CD1-CE2 4.02Š|
| 244 | S | 38.6 | Very low | 43.5 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -117.4 | 111.8 | 172.8 | 56.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 245 | F | 51.3 | Low | 43.5 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | -91.2 | 129.6 | 171 | -89.2 | -86 | 0 | 0 | 0 | 110.8 | F243 | F243-F245 HydrophobicContact CD1-CE2 4.02Š|
| 246 | A | 38.2 | Very low | 43.6 | Very low | 81 Ų | 81 | 156.9 Ų | 156.9 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | | | trans | -113.8 | 173.7 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 247 | L | 47.4 | Very low | 43.6 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | | | trans | 85.9 | 141.2 | -171.2 | -53 | 153.1 | 0 | 0 | 0 | 112.1 | | |
| 248 | C | 40.6 | Very low | 43.8 | Very low | 125 Ų | 125 | 154.4 Ų | 154.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | | | cis | -140 | 159.4 | 22.1 | -159.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 249 | K | 42.7 | Very low | 44.1 | Very low | 199 Ų | 199 | 155.8 Ų | 155.8 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -105 | 134.3 | 176.2 | -76.9 | 177 | 173.9 | 174.3 | 0 | 111.8 | | |
| 250 | R | 45.4 | Very low | 44 | Very low | 245 Ų | 245 | 155 Ų | 155 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | -162.4 | 119.5 | 155.5 | -108.3 | 175.3 | 173.7 | 165.9 | -2.4 | 106.3 | | |
| 251 | R | 41.6 | Very low | 44 | Very low | 207 Ų | 207 | 154 Ų | 154 | 78% | 0.781 | 81% | 0.811 | S | S | * | * | | | cis | 99.6 | 112.7 | 25.4 | -164.8 | -176 | -166.9 | -173.9 | 4.5 | 113.1 | | |
| 252 | Q | 42.1 | Very low | 44.2 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 72% | 0.72 | 81% | 0.812 | S | S | * | * | | | trans | 69.2 | 152.1 | 167.9 | -71.3 | 158.8 | -37.2 | 0 | 0 | 114.9 | | |
| 253 | V | 46.5 | Very low | 44.7 | Very low | 126 Ų | 126 | 153.8 Ų | 153.8 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | cis | -135.6 | 158.6 | 25.3 | 174.7 | 0 | 0 | 0 | 0 | 111.6 | F255 | V253-F255 HydrophobicContact CG1-CD2 4.46Š|
| 254 | M | 39.7 | Very low | 45 | Very low | 175 Ų | 175 | 153.7 Ų | 153.7 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | | | trans | -93.2 | 148.4 | 171.8 | -56.2 | -163.8 | -58 | 0 | 0 | 111.9 | | |
| 255 | F | 49 | Very low | 45.5 | Very low | 204 Ų | 204 | 157.9 Ų | 157.9 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -140.6 | 146.5 | 155.9 | -102 | -81.6 | 0 | 0 | 0 | 111.2 | V253 | V253-F255 HydrophobicContact CG1-CD2 4.46Š|
| 256 | A | 40.5 | Very low | 45.1 | Very low | 103 Ų | 103 | 153.1 Ų | 153.1 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | | | trans | -141.8 | 151.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 257 | G | 44.2 | Very low | 45.3 | Very low | 67 Ų | 67 | 155.2 Ų | 155.2 | 69% | 0.691 | 83% | 0.828 | S | S | * | * | | | trans | 149.3 | 114.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 258 | V | 45.4 | Very low | 45.1 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | | | cis | 65.4 | 91.8 | 41.1 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 259 | V | 52 | Low | 45 | Very low | 144 Ų | 144 | 154.1 Ų | 154.1 | 87% | 0.873 | 82% | 0.822 | S | S | * | * | | | | -148.1 | 148.6 | 122.6 | -165.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 260 | D | 41.5 | Very low | 44.9 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | trans | -82.7 | -179.4 | -178.3 | -68.4 | -76.8 | 0 | 0 | 0 | 115.4 | | |
| 261 | A | 49.3 | Very low | 44.7 | Very low | 81 Ų | 81 | 143.7 Ų | 143.7 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | | | trans | 101.5 | 103.4 | 138.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 262 | E | 48.9 | Very low | 44.8 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | 70 | 150.3 | 130.1 | -55 | -172.6 | 163.7 | 0 | 0 | 117.6 | | |
| 263 | E | 50.6 | Low | 44.9 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | cis | -149.5 | 175.4 | 19.6 | -149.5 | 169.4 | -166.5 | 0 | 0 | 110.8 | | |
| 264 | E | 49.8 | Very low | 44.6 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | -77.8 | 151 | 179.4 | -59.3 | -172.8 | 129.5 | 0 | 0 | 113.4 | | |
| 265 | E | 48.3 | Very low | 44.9 | Very low | 201 Ų | 201 | 143.4 Ų | 143.4 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | | | | -162.5 | 155.8 | 120.9 | -119.3 | -168.8 | -174 | 0 | 0 | 113.1 | | |
| 266 | A | 44.2 | Very low | 44.5 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | | | trans | -107.8 | 143.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 267 | C | 40.8 | Very low | 44.4 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | | | trans | -152.2 | 112.1 | 153.4 | -110.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 268 | S | 43.2 | Very low | 44 | Very low | 111 Ų | 111 | 143.3 Ų | 143.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | | | | 53.3 | 101 | 127.7 | -54.7 | 0 | 0 | 0 | 0 | 119.6 | S270 | S268-S270 PolarHBondContact O-N 3.24Š|
| 269 | I | 39.5 | Very low | 43.4 | Very low | 167 Ų | 167 | 145.6 Ų | 145.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | | | trans | -61.7 | 125.7 | 163.6 | -62 | 158.9 | 0 | 0 | 0 | 110.1 | | |
| 270 | S | 40.9 | Very low | 42.4 | Very low | 110 Ų | 110 | 145 Ų | 145 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | | | trans | -116.7 | 113.7 | 164.9 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | S268 Q272 | S268-S270 PolarHBondContact O-N 3.24Å; S270-Q272 PolarHBondContact O-N 3.29Å |
| 271 | S | 40 | Very low | 41.9 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -77.9 | 117 | 176.2 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 272 | Q | 43.9 | Very low | 40.9 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | trans | -123.4 | 139.7 | 166.1 | -154.2 | 170.3 | 10.3 | 0 | 0 | 111 | S270 A274 | S270-Q272 PolarHBondContact O-N 3.29Å; Q272-A274 PolarHBondContact O-N 2.88Å |
| 273 | E | 43.7 | Very low | 40 | Very low | 187 Ų | 187 | 145.5 Ų | 145.5 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -74.9 | 115.2 | -166.6 | -165.5 | 171.4 | 156.6 | 0 | 0 | 111 | Q275 | E273-Q275 PolarHBondContact O-N 3.47Å; E273-Q275 VanDerWaalsContact O-N 3.17Å |
| 274 | A | 42.1 | Very low | 38.9 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -78.6 | 100.7 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q272 | Q272-A274 PolarHBondContact O-N 2.88Š|
| 275 | Q | 45.2 | Very low | 37.9 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 135.5 | 165.1 | -69.9 | 179.8 | -17.6 | 0 | 0 | 110 | E273 | E273-Q275 PolarHBondContact O-N 3.47Å; E273-Q275 VanDerWaalsContact O-N 3.17Å |
| 276 | S | 39.7 | Very low | 37.1 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.2 | 173.6 | 49.1 | 0 | 0 | 0 | 0 | 110.5 | L278 | S276-L278 PolarHBondContact O-N 3.27Š|
| 277 | P | 39.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124.7 | 173.5 | 27.9 | -32.4 | 0 | 0 | 0 | 109.6 | | |
| 278 | L | 36.6 | Very low | 36.4 | Very low | 142 Ų | 142 | 136.9 Ų | 136.9 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 146.6 | 160 | -82.2 | 83.3 | 0 | 0 | 0 | 108.6 | S276 N280 | S276-L278 PolarHBondContact O-N 3.27Å; L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 3.46Å |
| 279 | L | 31.7 | Very low | 36.2 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 95% | 0.953 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 95.2 | 162.5 | -88.5 | 158.7 | 0 | 0 | 0 | 107.8 | H281 | L279-H281 PolarHBondContact O-N 2.83Š|
| 280 | N | 32 | Very low | 36.6 | Very low | 132 Ų | 132 | 132.3 Ų | 132.3 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | -65.5 | 122.7 | 171.1 | -72.7 | -18 | 0 | 0 | 0 | 108.7 | L278 V282 | L278-N280 VanDerWaalsContact C-N 3.31Å; L278-N280 PolarHBondContact O-N 3.46Å; N280-V282 HydrophobicContact CB-CG2 4.49Å; N280-V282 PolarHBondContact O-N 2.95Å |
| 281 | H | 30.1 | Very low | 36.7 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | | | trans | -61.3 | 117.7 | 160.3 | -155.8 | -92.3 | 0 | 0 | 0 | 106.9 | L279 E283 | L279-H281 PolarHBondContact O-N 2.83Å; H281-E283 IonicContact CE1-OE1 3.8Å; H281-E283 PolarHBondContact CE1-OE1 2.71Å; H281-E283 IonicContact ND1-OE1 2.71Å |
| 282 | V | 27.6 | Very low | 37.3 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 67% | 0.673 | 71% | 0.707 | S | S | * | * | | | trans | -106.7 | 93.3 | 177.5 | -170.7 | 0 | 0 | 0 | 0 | 108.1 | N280 V284 | N280-V282 HydrophobicContact CB-CG2 4.49Å; N280-V282 PolarHBondContact O-N 2.95Å; V282-V284 HydrophobicContact CG1-CG2 3.63Å; V282-V284 PolarHBondContact O-N 2.88Å |
| 283 | E | 29.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | | | trans | -75.7 | 115.5 | 162.6 | -72.9 | 170.3 | 178.5 | 0 | 0 | 107.7 | H281 | H281-E283 IonicContact CE1-OE1 3.8Å; H281-E283 PolarHBondContact CE1-OE1 2.71Å; H281-E283 IonicContact ND1-OE1 2.71Å |
| 284 | V | 28.3 | Very low | 37.9 | Very low | 92 Ų | 92 | 121.7 Ų | 121.7 | 56% | 0.558 | 67% | 0.669 | S | S | * | * | | | trans | -101.9 | 84.7 | 177 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | V282 T286 | V282-V284 HydrophobicContact CG1-CG2 3.63Å; V282-V284 PolarHBondContact O-N 2.88Å; V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 HydrophobicContact CG1-CG2 3.67Å; V284-T286 WeakPolarHBondContact CG1-OG1 3.43Å; V284-T286 PolarHBondContact O-N 3.31Å |
| 285 | E | 28.8 | Very low | 38.5 | Very low | 197 Ų | 197 | 120 Ų | 120 | 92% | 0.921 | 65% | 0.648 | S | S | * | * | | | trans | -71.1 | 86.2 | 162 | -76.6 | -169.5 | 142.5 | 0 | 0 | 109.1 | | |
| 286 | T | 31.3 | Very low | 39.1 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 45% | 0.448 | 64% | 0.64 | S | S | . | * | | | trans | -129.6 | 122.9 | 167.7 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | V284 S288 | V284-T286 VanDerWaalsContact C-N 3.28Å; V284-T286 HydrophobicContact CG1-CG2 3.67Å; V284-T286 WeakPolarHBondContact CG1-OG1 3.43Å; V284-T286 PolarHBondContact O-N 3.31Å; T286-S288 PolarHBondContact O-N 2.86Å; T286-S288 PolarHBondContact OG1-O 2.91Å; T286-S288 VanDerWaalsContact OG1-O 3.13Å |
| 287 | T | 34.6 | Very low | 39.9 | Very low | 157 Ų | 157 | 119.2 Ų | 119.2 | 96% | 0.963 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -65.5 | 1.6 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 114.2 | | |
| 288 | S | 36 | Very low | 40.4 | Very low | 90 Ų | 90 | 116.1 Ų | 116.1 | 63% | 0.629 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -145.6 | 116.6 | 161.3 | 47.3 | 0 | 0 | 0 | 0 | 109 | T286 E290 | T286-S288 PolarHBondContact O-N 2.86Å; T286-S288 PolarHBondContact OG1-O 2.91Å; T286-S288 VanDerWaalsContact OG1-O 3.13Å; S288-E290 PolarHBondContact O-N 2.98Å |
| 289 | V | 39.7 | Very low | 41.3 | Very low | 77 Ų | 77 | 112.8 Ų | 112.8 | 47% | 0.467 | 60% | 0.603 | S | S | . | * | | | trans | -86.2 | 106.2 | 171.2 | 178 | 0 | 0 | 0 | 0 | 107.7 | L291 | V289-L291 PolarHBondContact O-N 3.48Š|
| 290 | E | 46.4 | Very low | 42.6 | Very low | 104 Ų | 104 | 110.6 Ų | 110.6 | 49% | 0.486 | 60% | 0.6 | S | S | . | * | | | trans | -64.2 | 103.9 | 165.4 | -80.4 | -150.7 | 134.2 | 0 | 0 | 108.8 | S288 K292 H293 | S288-E290 PolarHBondContact O-N 2.98Å; E290-K292 PolarHBondContact O-N 2.83Å; E290-K292 IonicContact OE1-NZ 2.79Å; E290-K292 PolarHBondContact OE1-NZ 2.72Å; E290-K292 IonicContact OE2-NZ 3.43Å; E290-K292 PolarHBondContact OE2-NZ 2.86Å; E290-H293 PolarHBondContact O-N 2.94Å |
| 291 | L | 44.8 | Very low | 44 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 34% | 0.335 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -47.2 | -20.7 | 176.7 | -98.1 | 146.7 | 0 | 0 | 0 | 114.6 | V289 H293 V294 V295 A309 | V289-L291 PolarHBondContact O-N 3.48Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.17Å; L291-V294 WeakPolarHBondContact O-CB 3.5Å; L291-V294 PolarHBondContact O-N 3.49Å; L291-V294 VanDerWaalsContact O-N 3.13Å; L291-V295 PolarHBondContact O-N 2.73Å; L291-A309 HydrophobicContact CD1-CB 3.89Å |
| 292 | K | 51.5 | Low | 44.9 | Very low | 127 Ų | 127 | 107 Ų | 107 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -49.8 | -44.9 | 170.6 | -62.6 | 175.9 | -169.7 | 148.9 | 0 | 112.7 | E290 V294 V295 D296 | E290-K292 PolarHBondContact O-N 2.83Å; E290-K292 IonicContact OE1-NZ 2.79Å; E290-K292 PolarHBondContact OE1-NZ 2.72Å; E290-K292 IonicContact OE2-NZ 3.43Å; E290-K292 PolarHBondContact OE2-NZ 2.86Å; K292-V294 PolarHBondContact O-N 2.62Å; K292-V295 WeakPolarHBondContact O-CB 3.42Å; K292-V295 PolarHBondContact O-N 3.2Å; K292-D296 PolarHBondContact O-N 2.82Å |
| 293 | H | 50.8 | Low | 45.9 | Very low | 125 Ų | 125 | 108.6 Ų | 108.6 | 58% | 0.579 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -24 | -177.8 | -75.2 | 81.6 | 0 | 0 | 0 | 113.2 | E290 L291 | E290-H293 PolarHBondContact O-N 2.94Å; L291-H293 VanDerWaalsContact C-N 3.28Å; L291-H293 PolarHBondContact O-N 3.17Å |
| 294 | V | 50.1 | Low | 46.8 | Very low | 58 Ų | 58 | 102.9 Ų | 102.9 | 35% | 0.352 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.1 | -31.7 | 174.7 | -176.8 | 0 | 0 | 0 | 0 | 110.8 | L291 K292 | L291-V294 WeakPolarHBondContact O-CB 3.5Å; L291-V294 PolarHBondContact O-N 3.49Å; L291-V294 VanDerWaalsContact O-N 3.13Å; K292-V294 PolarHBondContact O-N 2.62Å |
| 295 | V | 55 | Low | 47.3 | Very low | 67 Ų | 67 | 105.1 Ų | 105.1 | 41% | 0.406 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -36.7 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 111.1 | L291 K292 I297 L298 | L291-V295 PolarHBondContact O-N 2.73Å; K292-V295 WeakPolarHBondContact O-CB 3.42Å; K292-V295 PolarHBondContact O-N 3.2Å; V295-I297 PolarHBondContact O-N 2.69Å; V295-I297 VanDerWaalsContact O-N 3.17Å; V295-L298 PolarHBondContact O-N 3.31Å; V295-L298 VanDerWaalsContact O-N 3.13Å |
| 296 | D | 56.2 | Low | 48.1 | Very low | 127 Ų | 127 | 99.4 Ų | 99.4 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.2 | -179.7 | -66.3 | -36.1 | 0 | 0 | 0 | 114.4 | K292 | K292-D296 PolarHBondContact O-N 2.82Š|
| 297 | I | 56.7 | Low | 48.1 | Very low | 144 Ų | 144 | 103.9 Ų | 103.9 | 74% | 0.738 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -17.4 | 178.5 | -59.5 | 168.9 | 0 | 0 | 0 | 111.5 | V295 | V295-I297 PolarHBondContact O-N 2.69Å; V295-I297 VanDerWaalsContact O-N 3.17Å |
| 298 | L | 49.6 | Very low | 48 | Very low | 59 Ų | 59 | 103.6 Ų | 103.6 | 31% | 0.309 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -82.1 | 150 | -175.9 | -65.6 | 172.9 | 0 | 0 | 0 | 112.2 | V295 V302 V304 I335 | V295-L298 PolarHBondContact O-N 3.31Å; V295-L298 VanDerWaalsContact O-N 3.13Å; L298-V302 HydrophobicContact CB-CB 4.48Å; L298-V302 HydrophobicContact CD1-CG1 4.37Å; L298-V304 HydrophobicContact CD1-CG2 3.36Å; L298-I335 HydrophobicContact CD1-CD1 4.4Å |
| 299 | P | 56.3 | Low | 48 | Very low | 71 Ų | 71 | 102.5 Ų | 102.5 | 46% | 0.461 | 55% | 0.549 | S | S | . | . | | | trans | -57.6 | 142.4 | 173 | -22.1 | 32.8 | 0 | 0 | 0 | 111.1 | E301 V302 | P299-E301 PolarHBondContact O-N 2.75Å; P299-V302 HydrophobicContact CB-CG2 4.34Å; P299-V302 HydrophobicContact CG-CG2 4.4Å; P299-V302 WeakPolarHBondContact O-CB 3.36Å; P299-V302 PolarHBondContact O-N 3.07Å |
| 300 | P | 58.4 | Low | 47.8 | Very low | 136 Ų | 136 | 108.2 Ų | 108.2 | 88% | 0.883 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 0.5 | -175.3 | 29.1 | -37.7 | 0 | 0 | 0 | 114.6 | | |
| 301 | E | 61.5 | Low | 47.2 | Very low | 175 Ų | 175 | 109.4 Ų | 109.4 | 82% | 0.818 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -9.2 | 175.9 | -64.7 | 162.5 | -177.7 | 0 | 0 | 111.6 | P299 | P299-E301 PolarHBondContact O-N 2.75Š|
| 302 | V | 49.5 | Very low | 46.9 | Very low | 33 Ų | 33 | 116 Ų | 116 | 20% | 0.2 | 60% | 0.602 | C | S | . | * | | | trans | -96.3 | 103 | -178.2 | -178 | 0 | 0 | 0 | 0 | 110.5 | L298 P299 V304 V333 | L298-V302 HydrophobicContact CB-CB 4.48Å; L298-V302 HydrophobicContact CD1-CG1 4.37Å; P299-V302 HydrophobicContact CB-CG2 4.34Å; P299-V302 HydrophobicContact CG-CG2 4.4Å; P299-V302 WeakPolarHBondContact O-CB 3.36Å; P299-V302 PolarHBondContact O-N 3.07Å; V302-V304 HydrophobicContact CG1-CG2 3.98Å; V302-V304 PolarHBondContact O-N 2.82Å; V302-V333 HydrophobicContact CG1-CB 4.13Å; V302-V333 HydrophobicContact CG1-CG2 3.94Å |
| 303 | N | 48.8 | Very low | 46.7 | Very low | 143 Ų | 143 | 115.5 Ų | 115.5 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | | | trans | -76.2 | 107.1 | 167.6 | -74.7 | -51.9 | 0 | 0 | 0 | 109.9 | | |
| 304 | V | 47.9 | Very low | 46.8 | Very low | 41 Ų | 41 | 119.3 Ų | 119.3 | 25% | 0.248 | 62% | 0.624 | C | S | . | * | | | trans | -91.6 | 116.2 | 168.5 | -176 | 0 | 0 | 0 | 0 | 109.2 | L298 V302 V306 I335 | L298-V304 HydrophobicContact CD1-CG2 3.36Å; V302-V304 HydrophobicContact CG1-CG2 3.98Å; V302-V304 PolarHBondContact O-N 2.82Å; V304-V306 HydrophobicContact CG1-CG2 3.7Å; V304-I335 HydrophobicContact CB-CD1 4.48Å; V304-I335 HydrophobicContact CG1-CD1 3.78Å; V304-I335 HydrophobicContact CG2-CD1 3.81Å |
| 305 | N | 40.3 | Very low | 46.9 | Very low | 139 Ų | 139 | 125.2 Ų | 125.2 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | | | trans | -96.8 | 107.6 | 168.8 | -157.8 | 24.9 | 0 | 0 | 0 | 108.5 | E307 | N305-E307 PolarHBondContact O-N 3.46Š|
| 306 | V | 44.3 | Very low | 46.6 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 47% | 0.467 | 65% | 0.652 | S | S | . | * | | | trans | -90.7 | 89.2 | -179.9 | -174 | 0 | 0 | 0 | 0 | 109 | V304 | V304-V306 HydrophobicContact CG1-CG2 3.7Š|
| 307 | E | 32.5 | Very low | 46.1 | Very low | 168 Ų | 168 | 127.8 Ų | 127.8 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | | | trans | -78.9 | 117.5 | 166.7 | -72.9 | -176.3 | 143 | 0 | 0 | 109.5 | N305 | N305-E307 PolarHBondContact O-N 3.46Š|
| 308 | E | 32.5 | Very low | 45.5 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | | | trans | 55.8 | 91.6 | 168.9 | -58.8 | -169.7 | 158.9 | 0 | 0 | 118.3 | Y310 | E308-Y310 HydrophobicContact CB-CD2 4.32Å; E308-Y310 HydrophobicContact CB-CE2 4.18Å; E308-Y310 PolarHBondContact O-N 3.06Å |
| 309 | A | 35.5 | Very low | 45.2 | Very low | 68 Ų | 68 | 123.7 Ų | 123.7 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | | | trans | -80.2 | 107.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L291 C311 | L291-A309 HydrophobicContact CD1-CB 3.89Å; A309-C311 PolarHBondContact O-N 3.29Å |
| 310 | Y | 35.1 | Very low | 44.9 | Very low | 197 Ų | 197 | 124.6 Ų | 124.6 | 77% | 0.773 | 63% | 0.629 | S | S | * | * | | | trans | -79.6 | 108.6 | 173.5 | -88.3 | -97.1 | 0 | 0 | 0 | 111.6 | E308 | E308-Y310 HydrophobicContact CB-CD2 4.32Å; E308-Y310 HydrophobicContact CB-CE2 4.18Å; E308-Y310 PolarHBondContact O-N 3.06Å |
| 311 | C | 33.9 | Very low | 44.3 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 87% | 0.865 | 61% | 0.607 | S | S | * | * | | | trans | -81.5 | 124.9 | 164.7 | -67.6 | 0 | 0 | 0 | 0 | 110.7 | A309 | A309-C311 PolarHBondContact O-N 3.29Š|
| 312 | R | 39.1 | Very low | 43.7 | Very low | 203 Ų | 203 | 118.2 Ų | 118.2 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | | | trans | -134.1 | 130.2 | 167.9 | -108.7 | -174.5 | 176.7 | -176.9 | 0.3 | 109.2 | | |
| 313 | N | 46.2 | Very low | 43.6 | Very low | 117 Ų | 117 | 122 Ų | 122 | 63% | 0.626 | 61% | 0.605 | S | S | * | * | | | trans | 44.3 | 123.4 | 173 | -75.4 | -6.1 | 0 | 0 | 0 | 118.8 | Q315 | N313-Q315 PolarHBondContact O-N 2.93Š|
| 314 | E | 52.9 | Low | 43.3 | Very low | 205 Ų | 205 | 122.5 Ų | 122.5 | 96% | 0.958 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 12.5 | 175.2 | -54.4 | 177 | 154.9 | 0 | 0 | 115 | | |
| 315 | Q | 51.7 | Low | 43.3 | Very low | 182 Ų | 182 | 123.4 Ų | 123.4 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | -1.2 | -167.7 | -68.3 | -177.7 | -16.2 | 0 | 0 | 114.2 | N313 | N313-Q315 PolarHBondContact O-N 2.93Š|
| 316 | E | 50.5 | Low | 43.7 | Very low | 106 Ų | 106 | 120 Ų | 120 | 50% | 0.495 | 60% | 0.596 | S | S | . | * | | | trans | -113.6 | 117.7 | 176.8 | -73.8 | 178.1 | -144.8 | 0 | 0 | 110 | Y318 | E316-Y318 HydrophobicContact CB-CD2 4.49Å; E316-Y318 HydrophobicContact CB-CE1 3.98Å; E316-Y318 HydrophobicContact CB-CE2 3.76Å; E316-Y318 VanDerWaalsContact CB-CZ 3.46Å; E316-Y318 WeakPolarHBondContact CB-OH 3.12Å; E316-Y318 WeakPolarHBondContact O-CD2 3.37Å; E316-Y318 WeakPolarHBondContact O-CE2 3.46Å; E316-Y318 VanDerWaalsContact OE2-CZ 3.32Å; E316-Y318 PolarHBondContact OE2-OH 2.85Å |
| 317 | E | 43.9 | Very low | 43.7 | Very low | 141 Ų | 141 | 118.3 Ų | 118.3 | 66% | 0.659 | 59% | 0.59 | S | S | * | * | | | trans | -74.5 | 130.3 | 168.9 | -66.3 | 171.8 | 163.5 | 0 | 0 | 109.2 | T342 | E317-T342 HydrophobicContact CB-CG2 3.4Å; E317-T342 VanDerWaalsContact CB-CG2 3.4Å; E317-T342 PolarHBondContact O-N 2.83Å |
| 318 | Y | 44.5 | Very low | 44.5 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 36% | 0.357 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.6 | 178.8 | -59.9 | -69.4 | 0 | 0 | 0 | 111.1 | E316 A339 C340 | E316-Y318 HydrophobicContact CB-CD2 4.49Å; E316-Y318 HydrophobicContact CB-CE1 3.98Å; E316-Y318 HydrophobicContact CB-CE2 3.76Å; E316-Y318 VanDerWaalsContact CB-CZ 3.46Å; E316-Y318 WeakPolarHBondContact CB-OH 3.12Å; E316-Y318 WeakPolarHBondContact O-CD2 3.37Å; E316-Y318 WeakPolarHBondContact O-CE2 3.46Å; E316-Y318 VanDerWaalsContact OE2-CZ 3.32Å; E316-Y318 PolarHBondContact OE2-OH 2.85Å; Y318-A339 HydrophobicContact CD1-CB 3.95Å; Y318-A339 HydrophobicContact CE1-CB 4.46Å; Y318-A339 HydrophobicContact CG-CB 4.21Å; Y318-C340 WeakPolarHBondContact CA-O 3.41Å |
| 319 | A | 43.8 | Very low | 44.9 | Very low | 27 Ų | 27 | 114.3 Ų | 114.3 | 22% | 0.223 | 59% | 0.589 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.8 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | F321 K338 C340 V345 | A319-F321 HydrophobicContact CB-CE2 3.94Å; A319-F321 HydrophobicContact CB-CZ 4.39Å; A319-K338 VanDerWaalsContact O-O 3.1Å; A319-C340 PolarHBondContact N-O 3.16Å; A319-V345 HydrophobicContact CB-CG2 3.74Å |
| 320 | I | 49.6 | Very low | 45.3 | Very low | 90 Ų | 90 | 117.6 Ų | 117.6 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.5 | 108.9 | 175.1 | -65.9 | 173.5 | 0 | 0 | 0 | 108.5 | V322 V337 | I320-V322 HydrophobicContact CG2-CG2 4.03Å; I320-V337 HydrophobicContact CG2-CG1 4.12Å; I320-V337 HydrophobicContact CG2-CG2 4.3Å |
| 321 | F | 46.9 | Very low | 45.6 | Very low | 95 Ų | 95 | 114.9 Ų | 114.9 | 42% | 0.417 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.1 | 168.9 | -64.2 | -89.5 | 0 | 0 | 0 | 109.7 | A319 C340 | A319-F321 HydrophobicContact CB-CE2 3.94Å; A319-F321 HydrophobicContact CB-CZ 4.39Å; F321-C340 HydrophobicContact CE2-CB 4.02Å |
| 322 | V | 49.2 | Very low | 45.8 | Very low | 82 Ų | 82 | 111.6 Ų | 111.6 | 50% | 0.497 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 96 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | I320 I335 | I320-V322 HydrophobicContact CG2-CG2 4.03Å; V322-I335 HydrophobicContact CG1-CG2 4.05Å |
| 323 | K | 46.5 | Very low | 46 | Very low | 112 Ų | 112 | 103.5 Ų | 103.5 | 49% | 0.487 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 113.4 | 173.7 | -171.3 | 170.8 | -175.1 | 170.7 | 0 | 109.9 | | |
| 324 | Y | 42.4 | Very low | 45.8 | Very low | 153 Ų | 153 | 100.9 Ų | 100.9 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.3 | 169.8 | 177.7 | -92.2 | 0 | 0 | 0 | 110 | A326 V333 | Y324-A326 HydrophobicContact CE1-CB 4Å; Y324-V333 HydrophobicContact CD2-CG1 3.52Å; Y324-V333 HydrophobicContact CD2-CG2 4.47Å; Y324-V333 HydrophobicContact CE2-CB 4.3Å; Y324-V333 HydrophobicContact CE2-CG1 3.57Å; Y324-V333 HydrophobicContact CE2-CG2 3.67Å |
| 325 | C | 48.5 | Very low | 45.4 | Very low | 61 Ų | 61 | 93.9 Ų | 93.9 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 119 | 167.5 | -164.9 | 0 | 0 | 0 | 0 | 109 | A327 | C325-A327 PolarHBondContact O-N 2.94Å |
| 326 | A | 47.8 | Very low | 45.2 | Very low | 68 Ų | 68 | 89.4 Ų | 89.4 | 56% | 0.562 | 50% | 0.498 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 108.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | Y324 | Y324-A326 HydrophobicContact CE1-CB 4Å |
| 327 | A | 44.9 | Very low | 44.9 | Very low | 40 Ų | 40 | 88.2 Ų | 88.2 | 33% | 0.331 | 50% | 0.498 | S | S | . | . | | | trans | -64.6 | 160 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | C325 C329 S332 | C325-A327 PolarHBondContact O-N 2.94Å; A327-C329 PolarHBondContact O-N 3.06Å; A327-C329 VanDerWaalsContact O-N 3.09Å; A327-S332 WeakPolarHBondContact CB-O 3.4Å; A327-S332 PolarHBondContact N-O 2.84Å |
| 328 | V | 49 | Very low | 45.4 | Very low | 148 Ų | 148 | 87.9 Ų | 87.9 | 90% | 0.897 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -63.7 | -13.7 | 175.6 | -178 | 0 | 0 | 0 | 0 | 112 | | |
| 329 | C | 40.2 | Very low | 45.5 | Very low | 86 Ų | 86 | 86.6 Ų | 86.6 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -96.2 | 133.6 | 167.3 | -62.2 | 0 | 0 | 0 | 0 | 110.1 | A327 D331 | A327-C329 PolarHBondContact O-N 3.06Å; A327-C329 VanDerWaalsContact O-N 3.09Å; C329-D331 PolarHBondContact O-N 2.87Å |
| 330 | T | 44.1 | Very low | 45.8 | Very low | 138 Ų | 138 | 86.5 Ų | 86.5 | 85% | 0.847 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -9.8 | -174.5 | 46.3 | 0 | 0 | 0 | 0 | 115.9 | | |
| 331 | D | 42.6 | Very low | 46.1 | Very low | 139 Ų | 139 | 84.6 Ų | 84.6 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 6.2 | -160.9 | -55.1 | -1.3 | 0 | 0 | 0 | 112.5 | C329 | C329-D331 PolarHBondContact O-N 2.87Š|
| 332 | S | 36.6 | Very low | 46.3 | Very low | 60 Ų | 60 | 83.3 Ų | 83.3 | 42% | 0.42 | 49% | 0.494 | S | S | . | . | | | trans | -137.2 | 136.7 | 179.3 | 57.7 | 0 | 0 | 0 | 0 | 114.1 | A327 | A327-S332 WeakPolarHBondContact CB-O 3.4Å; A327-S332 PolarHBondContact N-O 2.84Å |
| 333 | V | 43.1 | Very low | 46.6 | Very low | 32 Ų | 32 | 84.4 Ų | 84.4 | 19% | 0.194 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.6 | 172.3 | 176.2 | 0 | 0 | 0 | 0 | 106.9 | V302 Y324 I335 | V302-V333 HydrophobicContact CG1-CB 4.13Å; V302-V333 HydrophobicContact CG1-CG2 3.94Å; Y324-V333 HydrophobicContact CD2-CG1 3.52Å; Y324-V333 HydrophobicContact CD2-CG2 4.47Å; Y324-V333 HydrophobicContact CE2-CB 4.3Å; Y324-V333 HydrophobicContact CE2-CG1 3.57Å; Y324-V333 HydrophobicContact CE2-CG2 3.67Å; V333-I335 HydrophobicContact CG1-CG1 4.43Å |
| 334 | S | 43.9 | Very low | 46.9 | Very low | 62 Ų | 62 | 83.9 Ų | 83.9 | 43% | 0.434 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 133.5 | 167.4 | 53.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 335 | I | 42.6 | Very low | 46.9 | Very low | 58 Ų | 58 | 78.9 Ų | 78.9 | 30% | 0.297 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120 | 168.4 | -63.7 | -177.2 | 0 | 0 | 0 | 107 | L298 V304 V322 V333 V337 | L298-I335 HydrophobicContact CD1-CD1 4.4Å; V304-I335 HydrophobicContact CB-CD1 4.48Å; V304-I335 HydrophobicContact CG1-CD1 3.78Å; V304-I335 HydrophobicContact CG2-CD1 3.81Å; V322-I335 HydrophobicContact CG1-CG2 4.05Å; V333-I335 HydrophobicContact CG1-CG1 4.43Å; I335-V337 HydrophobicContact CG2-CG2 4.17Å |
| 336 | T | 47.5 | Very low | 46.7 | Very low | 88 Ų | 88 | 79.5 Ų | 79.5 | 54% | 0.54 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 109.1 | 170.9 | -53.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 337 | V | 44.1 | Very low | 46.4 | Very low | 81 Ų | 81 | 82.1 Ų | 82.1 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123 | 169.1 | 172 | 0 | 0 | 0 | 0 | 108.4 | I320 I335 | I320-V337 HydrophobicContact CG2-CG1 4.12Å; I320-V337 HydrophobicContact CG2-CG2 4.3Å; I335-V337 HydrophobicContact CG2-CG2 4.17Å |
| 338 | K | 54.4 | Low | 45.9 | Very low | 134 Ų | 134 | 84 Ų | 84 | 58% | 0.583 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 120.9 | 172 | -173.4 | -178.8 | 178.8 | -173.9 | 0 | 108.8 | A319 | A319-K338 VanDerWaalsContact O-O 3.1Å |
| 339 | A | 46.7 | Very low | 45.1 | Very low | 65 Ų | 65 | 80.4 Ų | 80.4 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 128.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y318 | Y318-A339 HydrophobicContact CD1-CB 3.95Å; Y318-A339 HydrophobicContact CE1-CB 4.46Å; Y318-A339 HydrophobicContact CG-CB 4.21Å |
| 340 | C | 50.4 | Low | 44.7 | Very low | 24 Ų | 24 | 86.9 Ų | 86.9 | 16% | 0.162 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.9 | 172.4 | -67.2 | 0 | 0 | 0 | 0 | 108.5 | Y318 A319 F321 | Y318-C340 WeakPolarHBondContact CA-O 3.41Å; A319-C340 PolarHBondContact N-O 3.16Å; F321-C340 HydrophobicContact CE2-CB 4.02Å |
| 341 | S | 55.8 | Low | 44.1 | Very low | 51 Ų | 51 | 86 Ų | 86 | 36% | 0.357 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 143 | 174.5 | 55.1 | 0 | 0 | 0 | 0 | 110.8 | S343 V344 | S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.09Å; S341-V344 PolarHBondContact O-N 2.89Å |
| 342 | T | 51.4 | Low | 43.8 | Very low | 67 Ų | 67 | 86.7 Ų | 86.7 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -58 | -23.2 | -179.6 | 37 | 0 | 0 | 0 | 0 | 114.5 | E317 V344 V345 | E317-T342 HydrophobicContact CB-CG2 3.4Å; E317-T342 VanDerWaalsContact CB-CG2 3.4Å; E317-T342 PolarHBondContact O-N 2.83Å; T342-V344 PolarHBondContact O-N 2.93Å; T342-V344 VanDerWaalsContact O-N 3.07Å; T342-V345 PolarHBondContact O-N 3.16Å; T342-V345 VanDerWaalsContact O-N 3.11Å |
| 343 | S | 55.7 | Low | 43.6 | Very low | 106 Ų | 106 | 88.7 Ų | 88.7 | 74% | 0.741 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -59.4 | -13.8 | 169.9 | 56.8 | 0 | 0 | 0 | 0 | 115.6 | S341 | S341-S343 PolarHBondContact O-N 3.44Å; S341-S343 PolarHBondContact OG-OG 3.09Å |
| 344 | V | 53.1 | Low | 43.2 | Very low | 101 Ų | 101 | 92.4 Ų | 92.4 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -105.5 | -6.3 | -179.7 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | S341 T342 P346 | S341-V344 PolarHBondContact O-N 2.89Å; T342-V344 PolarHBondContact O-N 2.93Å; T342-V344 VanDerWaalsContact O-N 3.07Å; V344-P346 VanDerWaalsContact O-CD 3.28Å; V344-P346 WeakPolarHBondContact O-CD 3.49Å |
| 345 | V | 42.6 | Very low | 42.6 | Very low | 48 Ų | 48 | 98.1 Ų | 98.1 | 29% | 0.291 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -100.8 | 103 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 108.9 | A319 T342 | A319-V345 HydrophobicContact CB-CG2 3.74Å; T342-V345 PolarHBondContact O-N 3.16Å; T342-V345 VanDerWaalsContact O-N 3.11Å |
| 346 | P | 44.2 | Very low | 42.3 | Very low | 73 Ų | 73 | 101.5 Ų | 101.5 | 47% | 0.474 | 60% | 0.596 | S | S | . | * | | | trans | -62.7 | 139.6 | 171.4 | 26.7 | -32.3 | 0 | 0 | 0 | 109.2 | V344 C348 S349 | V344-P346 VanDerWaalsContact O-CD 3.28Å; V344-P346 WeakPolarHBondContact O-CD 3.49Å; P346-C348 PolarHBondContact O-N 3.37Å; P346-S349 PolarHBondContact O-N 3.19Å |
| 347 | S | 41.9 | Very low | 41.6 | Very low | 123 Ų | 123 | 106.4 Ų | 106.4 | 86% | 0.86 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.7 | 8.2 | -168.1 | 45.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 348 | C | 33.6 | Very low | 41.1 | Very low | 79 Ų | 79 | 105.2 Ų | 105.2 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -139.6 | 12.6 | -167.1 | -41.4 | 0 | 0 | 0 | 0 | 112.8 | P346 Y350 D377 | P346-C348 PolarHBondContact O-N 3.37Å; C348-Y350 PolarHBondContact O-N 2.93Å; C348-Y350 VanDerWaalsContact O-N 3.12Å; C348-D377 PolarHBondContact SG-OD2 3.33Å |
| 349 | S | 32.3 | Very low | 40.2 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 52% | 0.517 | 63% | 0.629 | S | S | . | * | | | trans | -77.5 | 97.8 | -170.4 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | P346 | P346-S349 PolarHBondContact O-N 3.19Š|
| 350 | Y | 33.1 | Very low | 39.9 | Very low | 221 Ų | 221 | 106.7 Ų | 106.7 | 87% | 0.867 | 63% | 0.634 | S | S | * | * | | | trans | -75.7 | 137.9 | 159 | -115.1 | -97.9 | 0 | 0 | 0 | 110.2 | C348 | C348-Y350 PolarHBondContact O-N 2.93Å; C348-Y350 VanDerWaalsContact O-N 3.12Å |
| 351 | C | 30.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 114.7 Ų | 114.7 | 81% | 0.811 | 67% | 0.669 | S | S | * | * | | | trans | -92.1 | 115 | 177.4 | -161.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 352 | E | 35.5 | Very low | 39.4 | Very low | 154 Ų | 154 | 118.7 Ų | 118.7 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | | | trans | -82.7 | 145.5 | 176.1 | -168.1 | 169.5 | -157.5 | 0 | 0 | 111 | V354 | E352-V354 PolarHBondContact O-N 2.86Š|
| 353 | S | 33.1 | Very low | 38.8 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | | | trans | -67.6 | 131.3 | -172 | 50.8 | 0 | 0 | 0 | 0 | 113.2 | E355 | S353-E355 PolarHBondContact O-N 3.4Š|
| 354 | V | 34.2 | Very low | 38 | Very low | 111 Ų | 111 | 118.4 Ų | 118.4 | 67% | 0.673 | 70% | 0.7 | S | S | * | * | | | trans | -74.3 | 110.8 | 169 | 178.3 | 0 | 0 | 0 | 0 | 109.7 | E352 | E352-V354 PolarHBondContact O-N 2.86Š|
| 355 | E | 32 | Very low | 37.1 | Very low | 181 Ų | 181 | 123.1 Ų | 123.1 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -72.7 | 124.4 | 164.3 | -66.2 | -167.6 | 138.3 | 0 | 0 | 110.2 | S353 | S353-E355 PolarHBondContact O-N 3.4Š|
| 356 | T | 35.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 73% | 0.732 | S | S | * | * | | | trans | -98.4 | 104.3 | 170.4 | 53.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 357 | E | 34.4 | Very low | 36.2 | Very low | 191 Ų | 191 | 132.9 Ų | 132.9 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | | | trans | -86 | 120.7 | 178.3 | -165.6 | 179.5 | -153.5 | 0 | 0 | 111.4 | | |
| 358 | G | 33.7 | Very low | 35.8 | Very low | 56 Ų | 56 | 130.8 Ų | 130.8 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | | | trans | 79.1 | 124.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 359 | V | 35.1 | Very low | 35.7 | Very low | 137 Ų | 137 | 136 Ų | 136 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | | | trans | -94.8 | 111.4 | 163.8 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 360 | C | 40.5 | Very low | 35.7 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 64% | 0.635 | 77% | 0.767 | S | S | * | * | | | trans | -79.2 | 143.1 | 162.5 | -79.3 | 0 | 0 | 0 | 0 | 110.4 | D362 | C360-D362 PolarHBondContact O-N 3.45Š|
| 361 | Q | 48.1 | Very low | 35.5 | Very low | 192 Ų | 192 | 139 Ų | 139 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -1.7 | -168.5 | -146.9 | 168.5 | 24.1 | 0 | 0 | 114.1 | | |
| 362 | D | 46.8 | Very low | 35.4 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | 2.7 | -154.9 | -56.6 | -14.2 | 0 | 0 | 0 | 114.4 | C360 S364 | C360-D362 PolarHBondContact O-N 3.45Å; D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.35Å |
| 363 | G | 39.9 | Very low | 35 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | 70.7 | 15.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 364 | S | 37.8 | Very low | 34.8 | Very low | 84 Ų | 84 | 136.7 Ų | 136.7 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -92 | 155 | 176.7 | 47.8 | 0 | 0 | 0 | 0 | 112.9 | D362 | D362-S364 VanDerWaalsContact C-N 3.33Å; D362-S364 PolarHBondContact O-N 3.35Å |
| 365 | H | 34.9 | Very low | 34.7 | Very low | 200 Ų | 200 | 138.7 Ų | 138.7 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 141.9 | -168.8 | -68.7 | -95.6 | 0 | 0 | 0 | 115 | | |
| 366 | F | 35.1 | Very low | 35.1 | Very low | 149 Ų | 149 | 137.2 Ų | 137.2 | 65% | 0.654 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -95 | 130.5 | 167.7 | -66 | -88.3 | 0 | 0 | 0 | 111.3 | | |
| 367 | E | 31.7 | Very low | 35 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | | | trans | -95.7 | 110.9 | 166.2 | -175.1 | -179.7 | -149.9 | 0 | 0 | 108.7 | K369 | E367-K369 PolarHBondContact O-N 3.3Š|
| 368 | A | 33.9 | Very low | 35.4 | Very low | 79 Ų | 79 | 133.1 Ų | 133.1 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | | | trans | -84.6 | 113.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | E370 | A368-E370 PolarHBondContact O-N 3.26Š|
| 369 | K | 31.9 | Very low | 35.3 | Very low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | | | trans | -77.5 | 99.3 | 171 | -75.6 | -177.8 | 178 | 173.8 | 0 | 110.4 | E367 K371 | E367-K369 PolarHBondContact O-N 3.3Å; K369-K371 PolarHBondContact O-N 3.27Å |
| 370 | E | 32.3 | Very low | 35.3 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -70.7 | 122.2 | 168.1 | -171.9 | 165.1 | -140.9 | 0 | 0 | 109.3 | A368 | A368-E370 PolarHBondContact O-N 3.26Š|
| 371 | K | 28.2 | Very low | 34.8 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 78% | 0.783 | 76% | 0.758 | S | S | * | * | | | trans | -119.1 | 96.7 | 178.8 | -165.4 | -176.5 | -177.2 | -169.1 | 0 | 108.9 | K369 I373 | K369-K371 PolarHBondContact O-N 3.27Å; K371-I373 PolarHBondContact O-N 3.25Å |
| 372 | V | 29.6 | Very low | 34 | Very low | 116 Ų | 116 | 137 Ų | 137 | 70% | 0.703 | 75% | 0.748 | S | S | * | * | | | trans | -74.1 | 123.9 | 174.5 | -177.6 | 0 | 0 | 0 | 0 | 108.6 | V374 | V372-V374 HydrophobicContact CG1-CG2 4.04Š|
| 373 | I | 25.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 136 Ų | 136 | 55% | 0.554 | 75% | 0.752 | S | S | * | * | | | trans | -108 | 118.3 | 169.4 | -57.7 | 177.5 | 0 | 0 | 0 | 106.8 | K371 L375 | K371-I373 PolarHBondContact O-N 3.25Å; I373-L375 HydrophobicContact CG2-CD2 4.41Å |
| 374 | V | 30.8 | Very low | 33.2 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 62% | 0.624 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 127.5 | 171.7 | -176 | 0 | 0 | 0 | 0 | 107.1 | V372 | V372-V374 HydrophobicContact CG1-CG2 4.04Š|
| 375 | L | 30.9 | Very low | 33.2 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 124.1 | 171.7 | -66.9 | 174.7 | 0 | 0 | 0 | 108.4 | I373 | I373-L375 HydrophobicContact CG2-CD2 4.41Š|
| 376 | D | 40 | Very low | 33.4 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 127.5 | -177.8 | -106.9 | -25.1 | 0 | 0 | 0 | 111.5 | S378 | D376-S378 PolarHBondContact O-N 3.35Š|
| 377 | D | 34.4 | Very low | 33.4 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | | | trans | -82.4 | 63.2 | -174.4 | -147.9 | -8.5 | 0 | 0 | 0 | 111.8 | C348 G379 | C348-D377 PolarHBondContact SG-OD2 3.33Å; D377-G379 PolarHBondContact O-N 3.05Å |
| 378 | S | 41.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -95.8 | 65.7 | -177.9 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | D376 V380 | D376-S378 PolarHBondContact O-N 3.35Å; S378-V380 PolarHBondContact O-N 2.85Å |
| 379 | G | 32.2 | Very low | 33.8 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | | | trans | -67.3 | 95.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D377 | D377-G379 PolarHBondContact O-N 3.05Š|
| 380 | V | 35.1 | Very low | 33.9 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -136.1 | 117.3 | 161 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | S378 | S378-V380 PolarHBondContact O-N 2.85Š|
| 381 | F | 29.9 | Very low | 34.2 | Very low | 202 Ų | 202 | 134.5 Ų | 134.5 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | | | trans | -79 | 121 | 170.1 | -105.7 | -96.6 | 0 | 0 | 0 | 110.3 | | |
| 382 | E | 32.1 | Very low | 34.8 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -151 | 98.5 | 154.9 | -144 | -179.5 | -176.2 | 0 | 0 | 112.6 | Q384 | E382-Q384 HydrophobicContact CG-CG 4.25Å; E382-Q384 PolarHBondContact OE1-NE2 3.31Å |
| 383 | S | 36.7 | Very low | 35.5 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -102.6 | 68.2 | 175.3 | 46.6 | 0 | 0 | 0 | 0 | 111.6 | C385 | S383-C385 PolarHBondContact O-N 3.42Š|
| 384 | Q | 33.3 | Very low | 36.5 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | | | trans | -88.3 | 97.7 | 168.7 | -68.1 | -163.7 | 42.8 | 0 | 0 | 111.4 | E382 | E382-Q384 HydrophobicContact CG-CG 4.25Å; E382-Q384 PolarHBondContact OE1-NE2 3.31Å |
| 385 | C | 36.4 | Very low | 37.2 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | -159.9 | 133.3 | 152.3 | -113.8 | 0 | 0 | 0 | 0 | 110.3 | S383 | S383-C385 PolarHBondContact O-N 3.42Š|
| 386 | A | 39.4 | Very low | 37.9 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | | | trans | -110.3 | 135.3 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 387 | G | 36.1 | Very low | 38.3 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | | | trans | 100.7 | 160.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 388 | P | 35.3 | Very low | 38.8 | Very low | 122 Ų | 122 | 140.4 Ų | 140.4 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | | | cis | -129.9 | 145.2 | -23.3 | 37.1 | -22 | 0 | 0 | 0 | 114.9 | | |
| 389 | S | 38 | Very low | 39.1 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | 22.5 | 122.5 | 151.4 | 62.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 390 | Y | 33.9 | Very low | 39.7 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | | | trans | 51.9 | 100.8 | 134.2 | -107.6 | -99.8 | 0 | 0 | 0 | 118 | | |
| 391 | F | 38.1 | Very low | 40.1 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | | | trans | -108.8 | 117.4 | 152.3 | -135 | -92.2 | 0 | 0 | 0 | 108.3 | | |
| 392 | D | 42.2 | Very low | 40.9 | Very low | 97 Ų | 97 | 148 Ų | 148 | 52% | 0.519 | 79% | 0.789 | S | S | . | * | | | trans | -81.2 | 123.6 | 175.7 | -168.3 | -15.7 | 0 | 0 | 0 | 109 | S394 | D392-S394 VanDerWaalsContact C-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.48Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.28Å |
| 393 | W | 44.1 | Very low | 41.7 | Very low | 224 Ų | 224 | 150.2 Ų | 150.2 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | | | trans | -92.2 | 6.6 | -178.9 | -79.6 | 72.4 | 0 | 0 | 0 | 113 | D395 | W393-D395 VanDerWaalsContact C-N 3.33Å; W393-D395 PolarHBondContact O-N 3.24Å |
| 394 | S | 47 | Very low | 41.9 | Very low | 90 Ų | 90 | 148.2 Ų | 148.2 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | -13.1 | -172.3 | -53.1 | 0 | 0 | 0 | 0 | 115.4 | D392 | D392-S394 VanDerWaalsContact C-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.48Å; D392-S394 PolarHBondContact OD1-N 3.44Å; D392-S394 PolarHBondContact OD1-OG 3.28Å |
| 395 | D | 44.9 | Very low | 42.5 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -0.4 | -169.1 | -86.2 | -29.3 | 0 | 0 | 0 | 116.2 | W393 | W393-D395 VanDerWaalsContact C-N 3.33Å; W393-D395 PolarHBondContact O-N 3.24Å |
| 396 | F | 44.8 | Very low | 42.7 | Very low | 191 Ų | 191 | 151.1 Ų | 151.1 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | G | 310 helix | trans | -84.2 | -7.8 | -174.5 | -144.3 | -97.1 | 0 | 0 | 0 | 115.6 | | |
| 397 | E | 48.9 | Very low | 43 | Very low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | G | 310 helix | trans | -84.4 | -6.6 | -177.2 | -75 | -158.9 | 136.1 | 0 | 0 | 115.4 | | |
| 398 | N | 45.4 | Very low | 43.3 | Very low | 137 Ų | 137 | 159.3 Ų | 159.3 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | G | 310 helix | trans | -98.3 | 5.5 | -168 | -87.6 | -42.9 | 0 | 0 | 0 | 117.3 | | |
| 399 | S | 48.2 | Very low | 43.6 | Very low | 114 Ų | 114 | 163.2 Ų | 163.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -106.5 | -0.3 | -173.6 | -155.1 | 0 | 0 | 0 | 0 | 116.4 | | |
| 400 | L | 44.7 | Very low | 43.3 | Very low | 175 Ų | 175 | 162.4 Ų | 162.4 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | | | trans | -114.1 | 66 | 176.6 | -86.9 | 125.8 | 0 | 0 | 0 | 112.5 | | |
| 401 | R | 42.8 | Very low | 43.3 | Very low | 225 Ų | 225 | 162.8 Ų | 162.8 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | | | trans | -101.8 | 94.7 | 158.7 | -76.5 | -171.1 | 177.2 | -162.2 | 1.6 | 110.3 | | |
| 402 | N | 46.3 | Very low | 42.9 | Very low | 157 Ų | 157 | 161.1 Ų | 161.1 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -170.1 | 139.2 | 137.6 | -95.1 | -21.7 | 0 | 0 | 0 | 110.9 | | |
| 403 | E | 48.9 | Very low | 42.5 | Very low | 197 Ų | 197 | 162.4 Ų | 162.4 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | 64.2 | 105 | 168.3 | -55.1 | -164.5 | 165.4 | 0 | 0 | 119.8 | | |
| 404 | G | 41.3 | Very low | 42.1 | Very low | 73 Ų | 73 | 160.6 Ų | 160.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | | 106.6 | 90.7 | 124.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 405 | N | 45.9 | Very low | 41.7 | Very low | 151 Ų | 151 | 166.4 Ų | 166.4 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | | | trans | 36.2 | 112.2 | 147.9 | -70 | -16.1 | 0 | 0 | 0 | 119.9 | | |
| 406 | F | 40.7 | Very low | 41.2 | Very low | 203 Ų | 203 | 164.6 Ų | 164.6 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | | | | -177.3 | 142.8 | 103.5 | -102 | -75.9 | 0 | 0 | 0 | 109.8 | | |
| 407 | P | 45.2 | Very low | 40.9 | Very low | 108 Ų | 108 | 165.1 Ų | 165.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | trans | -100.8 | 121 | -174.6 | 34.8 | -27.6 | 0 | 0 | 0 | 112.8 | | |
| 408 | Y | 43.3 | Very low | 40.7 | Very low | 240 Ų | 240 | 160.4 Ų | 160.4 | 94% | 0.941 | 81% | 0.808 | S | S | * | * | | | trans | -136.4 | 131 | 156.2 | -102.2 | -84.2 | 0 | 0 | 0 | 111 | | |
| 409 | K | 41 | Very low | 41 | Very low | 204 Ų | 204 | 166.7 Ų | 166.7 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | | | trans | -73.7 | 125.7 | -176.2 | -70.4 | 178 | 173.9 | 179.4 | 0 | 110.8 | | |
| 410 | S | 31.8 | Very low | 40.6 | Very low | 91 Ų | 91 | 169.4 Ų | 169.4 | 64% | 0.636 | 84% | 0.835 | S | S | * | * | | | trans | -65.4 | 144.6 | 160.2 | -173 | 0 | 0 | 0 | 0 | 110.3 | | |
| 411 | R | 33.4 | Very low | 40.4 | Very low | 229 Ų | 229 | 169.1 Ų | 169.1 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | trans | -126.8 | 107 | 163.6 | -86.1 | -172 | 174 | -178.7 | -1.8 | 107.5 | | |
| 412 | H | 30.7 | Very low | 40.2 | Very low | 151 Ų | 151 | 165.9 Ų | 165.9 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | | | trans | -71.1 | 135 | 165.4 | -67.1 | -102.2 | 0 | 0 | 0 | 108.8 | F414 | H412-F414 HydrophobicContact CB-CE2 4.15Š|
| 413 | I | 33 | Very low | 39.9 | Very low | 125 Ų | 125 | 166.5 Ų | 166.5 | 64% | 0.641 | 83% | 0.829 | S | S | * | * | | | trans | -116.3 | 115 | 166.4 | -62.2 | 178.7 | 0 | 0 | 0 | 106.1 | Y415 | I413-Y415 HydrophobicContact CG2-CD2 4.23Å; I413-Y415 HydrophobicContact CG2-CE2 3.73Å |
| 414 | F | 36.1 | Very low | 39.3 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 81% | 0.811 | 82% | 0.823 | S | S | * | * | | | trans | -84.1 | 137 | 169.8 | -62.8 | -94.2 | 0 | 0 | 0 | 108.4 | H412 | H412-F414 HydrophobicContact CB-CE2 4.15Š|
| 415 | Y | 38.2 | Very low | 39.2 | Very low | 212 Ų | 212 | 170.7 Ų | 170.7 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | | | trans | -107.7 | 118.2 | 163.8 | -75 | -81.8 | 0 | 0 | 0 | 108.4 | I413 | I413-Y415 HydrophobicContact CG2-CD2 4.23Å; I413-Y415 HydrophobicContact CG2-CE2 3.73Å |
| 416 | A | 34.8 | Very low | 38.7 | Very low | 100 Ų | 100 | 172.1 Ų | 172.1 | 83% | 0.826 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 138.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 417 | K | 38.4 | Very low | 38.6 | Very low | 202 Ų | 202 | 169.7 Ų | 169.7 | 88% | 0.878 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122.3 | 165.8 | -176.3 | -179.8 | 179.1 | -172.6 | 0 | 107.5 | | |
| 418 | A | 44.4 | Very low | 38 | Very low | 89 Ų | 89 | 174.8 Ų | 174.8 | 74% | 0.736 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 148.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 419 | E | 51.3 | Low | 37.5 | Very low | 270 Ų | 270 | 168.9 Ų | 168.9 | 100% | 1.262 | 83% | 0.825 | S | S | * | * | | | trans | -69.8 | 0 | 175.6 | -64.7 | 178.9 | 135.7 | 0 | 0 | 112.1 | | |