| 1 | M | 64.9 | Low | 74.1 | Confident | 46 Ų | 46 | 73.1 Ų | 73.1 | 23% | 0.227 | 38% | 0.379 | C | S | . | . | | | | 0 | 87.6 | 0 | -67.8 | -169.3 | 72.7 | 0 | 0 | 109 | D5 I7 L11 L13 I16 L197 L199 | M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.42Å; M1-I7 HydrophobicContact CE-CG2 3.79Å; M1-L11 HydrophobicContact CE-CD1 3.62Å; M1-L13 HydrophobicContact CE-CD1 4.48Å; M1-I16 WeakPolarHBondContact O-CD1 3Å; M1-L197 HydrophobicContact CB-CB 4.41Å; M1-L197 HydrophobicContact CB-CD2 4.38Å; M1-L197 PolarHBondContact N-O 3.19Å; M1-L197 VanDerWaalsContact O-CB 3.23Å; M1-L197 WeakPolarHBondContact O-CB 3.41Å; M1-L199 HydrophobicContact SD-CD1 3.88Å |
| 2 | S | 73.2 | Confident | 74.6 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 4% | 0.035 | 39% | 0.388 | C | S | . | . | | | trans | -102.6 | 159 | 161.9 | 76 | 0 | 0 | 0 | 0 | 108.9 | D4 D5 G8 | S2-D4 PolarHBondContact O-N 3.5Å; S2-D4 PolarHBondContact OG-N 3.48Å; S2-D5 VanDerWaalsContact N-CG 3.32Å; S2-D5 PolarHBondContact N-OD2 3.2Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.24Å; S2-G8 WeakPolarHBondContact O-CA 3.03Å |
| 3 | P | 72.6 | Confident | 75 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 14% | 0.136 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.5 | -33 | 165.8 | -32.6 | 41 | 0 | 0 | 0 | 113.8 | G8 S9 L13 I16 | P3-G8 CarbonylContact O-C 3.57Å; P3-S9 PolarHBondContact O-N 3.39Å; P3-S9 VanDerWaalsContact O-N 3.17Å; P3-L13 VanDerWaalsContact CB-O 3.31Å; P3-L13 WeakPolarHBondContact CB-O 3.48Å; P3-I16 HydrophobicContact CG-CG1 4.46Å |
| 4 | D | 74.9 | Confident | 75.4 | Confident | 126 Ų | 126 | 65.9 Ų | 65.9 | 67% | 0.674 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.3 | -175.9 | -52.1 | -48.6 | 0 | 0 | 0 | 113.1 | S2 | S2-D4 PolarHBondContact O-N 3.5Å; S2-D4 PolarHBondContact OG-N 3.48Å |
| 5 | D | 74.2 | Confident | 75.6 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -75.2 | 152.9 | 176.4 | -65.8 | -11.6 | 0 | 0 | 0 | 110.1 | M1 S2 I7 G8 S9 | M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 PolarHBondContact N-OD2 3.42Å; S2-D5 VanDerWaalsContact N-CG 3.32Å; S2-D5 PolarHBondContact N-OD2 3.2Å; S2-D5 WeakPolarHBondContact O-CB 3.47Å; S2-D5 PolarHBondContact O-N 3.44Å; S2-D5 VanDerWaalsContact O-N 3.11Å; S2-D5 PolarHBondContact OG-N 3.24Å; S2-D5 PolarHBondContact OG-OD1 3.24Å; D5-I7 PolarHBondContact O-N 2.88Å; D5-G8 PolarHBondContact O-N 2.74Å; D5-S9 WeakPolarHBondContact O-CB 3.33Å; D5-S9 PolarHBondContact O-N 2.7Å |
| 6 | P | 76 | Confident | 75.8 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 63% | 0.63 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -53.6 | -33.3 | 178.7 | -27.8 | 34.3 | 0 | 0 | 0 | 114.2 | R10 | P6-R10 VanDerWaalsContact O-CB 3.29Å; P6-R10 WeakPolarHBondContact O-CB 3.36Å; P6-R10 WeakPolarHBondContact O-CD 3.29Å; P6-R10 WeakPolarHBondContact O-CG 3.44Å; P6-R10 PolarHBondContact O-N 3.21Å |
| 7 | I | 75.4 | Confident | 76 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 45% | 0.451 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -75.8 | -44.1 | 177.6 | -55.9 | 175.5 | 0 | 0 | 0 | 110.4 | M1 D5 R10 L11 | M1-I7 HydrophobicContact CE-CG2 3.79Å; D5-I7 PolarHBondContact O-N 2.88Å; I7-R10 PolarHBondContact O-N 2.75Å; I7-L11 HydrophobicContact CG2-CD1 4.08Å; I7-L11 WeakPolarHBondContact O-CB 3.23Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 2.81Å |
| 8 | G | 75.8 | Confident | 76 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S2 P3 D5 L11 G12 L13 | S2-G8 WeakPolarHBondContact O-CA 3.03Å; P3-G8 CarbonylContact O-C 3.57Å; D5-G8 PolarHBondContact O-N 2.74Å; G8-L11 CarbonylContact O-C 3.59Å; G8-L11 PolarHBondContact O-N 2.77Å; G8-G12 PolarHBondContact O-N 3.41Å; G8-G12 VanDerWaalsContact O-N 3.15Å; G8-L13 PolarHBondContact O-N 3.14Å |
| 9 | S | 76.9 | Confident | 75.7 | Confident | 80 Ų | 80 | 51.6 Ų | 51.6 | 56% | 0.559 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 174.8 | 177.9 | 0 | 0 | 0 | 0 | 111.9 | P3 D5 L11 G12 | P3-S9 PolarHBondContact O-N 3.39Å; P3-S9 VanDerWaalsContact O-N 3.17Å; D5-S9 WeakPolarHBondContact O-CB 3.33Å; D5-S9 PolarHBondContact O-N 2.7Å; S9-L11 VanDerWaalsContact C-N 3.26Å; S9-L11 PolarHBondContact O-N 3.42Å; S9-G12 PolarHBondContact O-N 3.38Å |
| 10 | R | 78.4 | Confident | 75.2 | Confident | 225 Ų | 225 | 50.9 Ų | 50.9 | 85% | 0.849 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.5 | -32 | 173.8 | -79.5 | 174.5 | -176.2 | -162.7 | 1.4 | 113.5 | P6 I7 | P6-R10 VanDerWaalsContact O-CB 3.29Å; P6-R10 WeakPolarHBondContact O-CB 3.36Å; P6-R10 WeakPolarHBondContact O-CD 3.29Å; P6-R10 WeakPolarHBondContact O-CG 3.44Å; P6-R10 PolarHBondContact O-N 3.21Å; I7-R10 PolarHBondContact O-N 2.75Å |
| 11 | L | 73.3 | Confident | 74.8 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 41% | 0.408 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -0.9 | 174.9 | -69.2 | 173 | 0 | 0 | 0 | 112.6 | M1 I7 G8 S9 L13 | M1-L11 HydrophobicContact CE-CD1 3.62Å; I7-L11 HydrophobicContact CG2-CD1 4.08Å; I7-L11 WeakPolarHBondContact O-CB 3.23Å; I7-L11 VanDerWaalsContact O-CG 3.26Å; I7-L11 WeakPolarHBondContact O-CG 3.36Å; I7-L11 PolarHBondContact O-N 2.81Å; G8-L11 CarbonylContact O-C 3.59Å; G8-L11 PolarHBondContact O-N 2.77Å; S9-L11 VanDerWaalsContact C-N 3.26Å; S9-L11 PolarHBondContact O-N 3.42Å; L11-L13 HydrophobicContact CB-CD1 4.37Å; L11-L13 HydrophobicContact CB-CD2 4.39Å; L11-L13 HydrophobicContact CB-CG 3.85Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 2.92Å |
| 12 | G | 80 | Confident | 74.8 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 23.9 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | G8 S9 S14 N214 | G8-G12 PolarHBondContact O-N 3.41Å; G8-G12 VanDerWaalsContact O-N 3.15Å; S9-G12 PolarHBondContact O-N 3.38Å; G12-S14 PolarHBondContact O-N 3.08Å; G12-N214 WeakPolarHBondContact O-CB 3.44Å |
| 13 | L | 80.1 | Confident | 74.4 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | | | trans | -67.8 | 131.8 | -177.9 | -63.2 | -179.1 | 0 | 0 | 0 | 110.3 | M1 P3 G8 L11 N214 L216 | M1-L13 HydrophobicContact CE-CD1 4.48Å; P3-L13 VanDerWaalsContact CB-O 3.31Å; P3-L13 WeakPolarHBondContact CB-O 3.48Å; G8-L13 PolarHBondContact O-N 3.14Å; L11-L13 HydrophobicContact CB-CD1 4.37Å; L11-L13 HydrophobicContact CB-CD2 4.39Å; L11-L13 HydrophobicContact CB-CG 3.85Å; L11-L13 HydrophobicContact CD1-CD1 4.34Å; L11-L13 PolarHBondContact O-N 2.92Å; L13-N214 CarbonylContact C-O 3.53Å; L13-N214 WeakPolarHBondContact CA-O 3.13Å; L13-L216 HydrophobicContact CD1-CB 4.13Å; L13-L216 HydrophobicContact CD1-CD2 4.25Å; L13-L216 HydrophobicContact CD2-CB 4.09Å |
| 14 | S | 80.3 | Confident | 73.9 | Confident | 61 Ų | 61 | 57.4 Ų | 57.4 | 43% | 0.427 | 32% | 0.32 | S | S | . | . | | | trans | -105.1 | -25.9 | 172.5 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | G12 N214 | G12-S14 PolarHBondContact O-N 3.08Å; S14-N214 WeakPolarHBondContact CB-ND2 3.49Å; S14-N214 PolarHBondContact N-O 3.39Å; S14-N214 PolarHBondContact OG-ND2 3Å; S14-N214 VanDerWaalsContact OG-ND2 3.12Å; S14-N214 PolarHBondContact OG-O 3.17Å; S14-N214 PolarHBondContact OG-OD1 2.95Å; S14-N214 VanDerWaalsContact OG-OD1 3.13Å |
| 15 | S | 78.1 | Confident | 73.3 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 152.6 | -173.2 | 45.8 | 0 | 0 | 0 | 0 | 111.8 | F17 N214 R215 L216 | S15-F17 VanDerWaalsContact OG-CE2 3.32Å; S15-F17 WeakPolarHBondContact OG-CE2 3.32Å; S15-N214 PolarHBondContact N-O 3.28Å; S15-R215 WeakPolarHBondContact O-CA 2.96Å; S15-R215 WeakPolarHBondContact OG-CG 3.4Å; S15-L216 PolarHBondContact O-N 3.01Å |
| 16 | I | 79.1 | Confident | 72.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.8 | 177.9 | -53.4 | -177.1 | 0 | 0 | 0 | 107.1 | M1 P3 Q189 I190 L216 L218 | M1-I16 WeakPolarHBondContact O-CD1 3Å; P3-I16 HydrophobicContact CG-CG1 4.46Å; I16-Q189 CarbonylContact O-C 3.55Å; I16-Q189 WeakPolarHBondContact O-CA 3.28Å; I16-Q189 WeakPolarHBondContact O-CG 3.5Å; I16-I190 HydrophobicContact CB-CB 4.37Å; I16-I190 HydrophobicContact CG2-CB 4.48Å; I16-I190 HydrophobicContact CG2-CD1 3.74Å; I16-I190 HydrophobicContact CG2-CG1 4.38Å; I16-I190 PolarHBondContact O-N 3.06Å; I16-L216 CarbonylContact C-O 3.52Å; I16-L216 VanDerWaalsContact CA-O 3.28Å; I16-L216 WeakPolarHBondContact CA-O 3.44Å; I16-L216 HydrophobicContact CB-CB 4.47Å; I16-L216 HydrophobicContact CD1-CD2 4.18Å; I16-L216 HydrophobicContact CG1-CB 4.13Å; I16-L216 HydrophobicContact CG1-CD2 4.31Å; I16-L216 HydrophobicContact CG2-CB 4.24Å; I16-L216 HydrophobicContact CG2-CD2 4.11Å; I16-L216 HydrophobicContact CG2-CG 4.38Å; I16-L218 HydrophobicContact CG2-CD1 4.29Å; I16-L218 HydrophobicContact CG2-CG 4.27Å |
| 17 | F | 78.1 | Confident | 71.9 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.075 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 147.9 | 179.9 | -63.5 | -91.1 | 0 | 0 | 0 | 109.5 | S15 M187 H188 Q189 R215 L216 F217 L218 | S15-F17 VanDerWaalsContact OG-CE2 3.32Å; S15-F17 WeakPolarHBondContact OG-CE2 3.32Å; F17-M187 HydrophobicContact CB-CG 4.31Å; F17-M187 HydrophobicContact CB-SD 4.45Å; F17-M187 HydrophobicContact CD1-CG 4.17Å; F17-M187 HydrophobicContact CD1-SD 4.13Å; F17-M187 HydrophobicContact CG-SD 4.43Å; F17-H188 WeakPolarHBondContact CA-O 3.29Å; F17-Q189 HydrophobicContact CD1-CB 3.86Å; F17-Q189 HydrophobicContact CD1-CG 4.25Å; F17-Q189 HydrophobicContact CE1-CB 3.67Å; F17-Q189 HydrophobicContact CE1-CG 3.89Å; F17-Q189 HydrophobicContact CZ-CB 4.4Å; F17-Q189 HydrophobicContact CZ-CG 4.13Å; F17-R215 HydrophobicContact CD2-CB 4.19Å; F17-R215 HydrophobicContact CE2-CB 3.98Å; F17-R215 HydrophobicContact CE2-CG 4.02Å; F17-L216 PolarHBondContact N-O 3.02Å; F17-F217 HydrophobicContact CB-CD1 3.62Å; F17-F217 HydrophobicContact CB-CE1 3.91Å; F17-F217 HydrophobicContact CB-CG 4.41Å; F17-F217 HydrophobicContact CD2-CD1 4.24Å; F17-F217 AromaticContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CZ 4.09Å; F17-F217 HydrophobicContact CG-CD1 4.15Å; F17-F217 AromaticContact CG-CE1 3.91Å; F17-F217 HydrophobicContact CG-CE1 3.91Å; F17-F217 CarbonylContact O-C 3.46Å; F17-F217 WeakPolarHBondContact O-CA 3.45Å; F17-L218 PolarHBondContact O-N 3.31Å |
| 18 | V | 76.7 | Confident | 71.3 | Confident | 31 Ų | 31 | 57.2 Ų | 57.2 | 19% | 0.188 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.6 | 161.5 | -178.8 | 0 | 0 | 0 | 0 | 106.9 | M187 H188 I190 L218 | V18-M187 VanDerWaalsContact O-CA 3.32Å; V18-M187 WeakPolarHBondContact O-CA 3.37Å; V18-H188 PolarHBondContact N-O 3.42Å; V18-H188 PolarHBondContact O-N 3.07Å; V18-I190 HydrophobicContact CG2-CD1 3.41Å; V18-I190 VanDerWaalsContact CG2-CD1 3.41Å; V18-I190 HydrophobicContact CG2-CG1 3.65Å; V18-L218 WeakPolarHBondContact CA-O 3.29Å; V18-L218 HydrophobicContact CG2-CB 4.43Å; V18-L218 HydrophobicContact CG2-CD1 4.43Å |
| 19 | A | 70.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 138.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | A23 L27 M187 L218 V219 S220 | A19-A23 HydrophobicContact CB-CB 4.22Å; A19-L27 HydrophobicContact CB-CD1 4.1Å; A19-M187 HydrophobicContact CB-CG 4.46Å; A19-L218 PolarHBondContact N-O 3.17Å; A19-V219 WeakPolarHBondContact O-CA 3.48Å; A19-S220 PolarHBondContact O-N 3.26Å; A19-S220 VanDerWaalsContact O-N 3.12Å |
| 20 | P | 65.7 | Low | 68.8 | Low | 38 Ų | 38 | 65.6 Ų | 65.6 | 25% | 0.247 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 155 | 164.6 | 26 | -29.9 | 0 | 0 | 0 | 109.9 | D22 A23 P185 | P20-D22 PolarHBondContact O-N 2.92Å; P20-A23 HydrophobicContact CG-CB 3.55Å; P20-A23 WeakPolarHBondContact O-CA 3.47Å; P20-A23 VanDerWaalsContact O-CB 3.29Å; P20-A23 WeakPolarHBondContact O-CB 3.26Å; P20-A23 PolarHBondContact O-N 2.74Å; P20-P185 WeakPolarHBondContact CG-O 2.82Å |
| 21 | L | 67 | Low | 67.1 | Low | 87 Ų | 87 | 61 Ų | 61 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.2 | -42.8 | -179.4 | -174.4 | 64 | 0 | 0 | 0 | 111.8 | A23 V24 V219 | L21-A23 PolarHBondContact O-N 3.1Å; L21-V24 VanDerWaalsContact O-CB 3.28Å; L21-V24 WeakPolarHBondContact O-CB 3.48Å; L21-V24 WeakPolarHBondContact O-CG2 3.4Å; L21-V24 PolarHBondContact O-N 3.1Å; L21-V219 HydrophobicContact CB-CG1 4.15Å; L21-V219 HydrophobicContact CD1-CG1 3.62Å |
| 22 | D | 64.5 | Low | 65.3 | Low | 140 Ų | 140 | 62.6 Ų | 62.6 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.1 | -22.7 | 178.5 | -48.2 | -17 | 0 | 0 | 0 | 112.8 | P20 V24 | P20-D22 PolarHBondContact O-N 2.92Å; D22-V24 VanDerWaalsContact C-N 3.35Å |
| 23 | A | 64.4 | Low | 63.3 | Low | 3 Ų | 3 | 64.8 Ų | 64.8 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -79.9 | -17.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A19 P20 L21 A26 L27 V184 | A19-A23 HydrophobicContact CB-CB 4.22Å; P20-A23 HydrophobicContact CG-CB 3.55Å; P20-A23 WeakPolarHBondContact O-CA 3.47Å; P20-A23 VanDerWaalsContact O-CB 3.29Å; P20-A23 WeakPolarHBondContact O-CB 3.26Å; P20-A23 PolarHBondContact O-N 2.74Å; L21-A23 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 2.9Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 3.32Å; A23-V184 VanDerWaalsContact CA-CG1 3.41Å; A23-V184 HydrophobicContact CB-CB 4.02Å; A23-V184 HydrophobicContact CB-CG1 3.18Å |
| 24 | V | 62.9 | Low | 61.3 | Low | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.176 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70.7 | -37.2 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | L21 D22 A26 L27 F28 V219 | L21-V24 VanDerWaalsContact O-CB 3.28Å; L21-V24 WeakPolarHBondContact O-CB 3.48Å; L21-V24 WeakPolarHBondContact O-CG2 3.4Å; L21-V24 PolarHBondContact O-N 3.1Å; D22-V24 VanDerWaalsContact C-N 3.35Å; V24-A26 PolarHBondContact O-N 2.97Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 2.93Å; V24-F28 HydrophobicContact CG1-CD2 3.71Å; V24-F28 HydrophobicContact CG1-CE2 3.89Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 3.37Å; V24-V219 HydrophobicContact CG2-CB 4.05Å; V24-V219 HydrophobicContact CG2-CG1 3.48Å; V24-V219 VanDerWaalsContact CG2-CG1 3.48Å; V24-V219 HydrophobicContact CG2-CG2 3.38Å |
| 25 | E | 60.9 | Low | 59 | Low | 162 Ų | 162 | 76.5 Ų | 76.5 | 76% | 0.757 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.6 | -35 | 175.2 | -68.4 | -178 | -178.9 | 0 | 0 | 111.9 | L27 F28 | E25-L27 VanDerWaalsContact C-N 3.34Å; E25-F28 CarbonylContact O-C 3.25Å; E25-F28 VanDerWaalsContact O-C 3.25Å |
| 26 | A | 62.7 | Low | 56.9 | Low | 57 Ų | 57 | 80 Ų | 80 | 47% | 0.471 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -74.8 | -22.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A23 V24 V184 | A23-A26 PolarHBondContact O-N 2.9Å; V24-A26 PolarHBondContact O-N 2.97Å; A26-V184 HydrophobicContact CB-CG1 3.75Å; A26-V184 HydrophobicContact CB-CG2 4.03Å |
| 27 | L | 59.8 | Low | 54.7 | Low | 40 Ų | 40 | 84.5 Ų | 84.5 | 21% | 0.209 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -82.8 | -26.5 | 177.1 | -70.9 | 169.1 | 0 | 0 | 0 | 112.7 | A19 A23 V24 E25 P29 V184 M187 F217 | A19-L27 HydrophobicContact CB-CD1 4.1Å; A23-L27 WeakPolarHBondContact O-CG 3.32Å; A23-L27 PolarHBondContact O-N 3.32Å; V24-L27 WeakPolarHBondContact O-CB 3.25Å; V24-L27 PolarHBondContact O-N 2.93Å; E25-L27 VanDerWaalsContact C-N 3.34Å; L27-P29 VanDerWaalsContact C-CD 3.48Å; L27-V184 HydrophobicContact CD2-CG2 3.88Å; L27-V184 HydrophobicContact CG-CG2 4.08Å; L27-M187 HydrophobicContact CD1-SD 4.1Å; L27-M187 HydrophobicContact CD2-CE 4.44Å; L27-M187 HydrophobicContact CD2-SD 3.85Å; L27-F217 HydrophobicContact CD1-CD1 3.61Å; L27-F217 HydrophobicContact CD1-CE1 3.75Å; L27-F217 HydrophobicContact CD1-CG 4.39Å; L27-F217 HydrophobicContact CD2-CE1 4Å |
| 28 | F | 61.6 | Low | 52.7 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 38% | 0.377 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -123.8 | 72.4 | 174.4 | -56.6 | -80.3 | 0 | 0 | 0 | 108 | V24 E25 E30 A210 | V24-F28 HydrophobicContact CG1-CD2 3.71Å; V24-F28 HydrophobicContact CG1-CE2 3.89Å; V24-F28 WeakPolarHBondContact O-CD2 3.41Å; V24-F28 PolarHBondContact O-N 3.37Å; E25-F28 CarbonylContact O-C 3.25Å; E25-F28 VanDerWaalsContact O-C 3.25Å; F28-E30 PolarHBondContact O-N 2.9Å; F28-A210 HydrophobicContact CE2-CB 3.99Å; F28-A210 HydrophobicContact CZ-CB 4.01Å |
| 29 | P | 53.4 | Low | 51 | Low | 100 Ų | 100 | 96.3 Ų | 96.3 | 65% | 0.649 | 55% | 0.55 | S | S | * | . | | | trans | -54.9 | 113.3 | 169.3 | 23.8 | -30.4 | 0 | 0 | 0 | 105.5 | L27 T31 | L27-P29 VanDerWaalsContact C-CD 3.48Å; P29-T31 PolarHBondContact O-N 2.85Å |
| 30 | E | 47.3 | Very low | 49.2 | Very low | 157 Ų | 157 | 102.6 Ų | 102.6 | 73% | 0.734 | 59% | 0.594 | S | S | * | * | | | trans | -45.2 | 126.6 | 173.3 | -75.4 | -176.1 | 149.2 | 0 | 0 | 105.6 | F28 T32 | F28-E30 PolarHBondContact O-N 2.9Å; E30-T32 HydrophobicContact CB-CG2 4.09Å; E30-T32 PolarHBondContact O-N 2.81Å; E30-T32 PolarHBondContact O-OG1 2.83Å |
| 31 | T | 42.8 | Very low | 47.9 | Very low | 129 Ų | 129 | 106.4 Ų | 106.4 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | | | trans | -66.4 | 66.7 | 160.3 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | P29 S33 | P29-T31 PolarHBondContact O-N 2.85Å; T31-S33 PolarHBondContact O-N 3.29Å |
| 32 | T | 35.4 | Very low | 46.9 | Very low | 111 Ų | 111 | 107.2 Ų | 107.2 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | | | trans | -71.3 | 54.7 | 152.7 | 40.2 | 0 | 0 | 0 | 0 | 106.9 | E30 Q34 | E30-T32 HydrophobicContact CB-CG2 4.09Å; E30-T32 PolarHBondContact O-N 2.81Å; E30-T32 PolarHBondContact O-OG1 2.83Å; T32-Q34 PolarHBondContact O-N 3.26Å |
| 33 | S | 37.4 | Very low | 45.6 | Very low | 93 Ų | 93 | 107.2 Ų | 107.2 | 65% | 0.65 | 63% | 0.633 | S | S | * | * | | | trans | -69.5 | 88.2 | 160.5 | -64.9 | 0 | 0 | 0 | 0 | 105.9 | T31 T35 | T31-S33 PolarHBondContact O-N 3.29Å; S33-T35 PolarHBondContact O-N 3.25Å |
| 34 | Q | 38.8 | Very low | 44.6 | Very low | 166 Ų | 166 | 114.1 Ų | 114.1 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | | | trans | 46.7 | 74 | 142.2 | -58.5 | -179.4 | -11.2 | 0 | 0 | 114.8 | T32 S36 | T32-Q34 PolarHBondContact O-N 3.26Å; Q34-S36 PolarHBondContact O-N 2.78Å |
| 35 | T | 32.3 | Very low | 43.7 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | | | trans | -74.5 | 63.4 | 149.1 | 61.7 | 0 | 0 | 0 | 0 | 108.3 | S33 | S33-T35 PolarHBondContact O-N 3.25Š|
| 36 | S | 33.7 | Very low | 42.9 | Very low | 83 Ų | 83 | 117.6 Ų | 117.6 | 58% | 0.58 | 69% | 0.692 | S | S | * | * | | | trans | -84.4 | 111.1 | 164.9 | 58.6 | 0 | 0 | 0 | 0 | 107.6 | Q34 | Q34-S36 PolarHBondContact O-N 2.78Š|
| 37 | S | 33.3 | Very low | 42.2 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 77.7 | 99.9 | 142.6 | -44.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 38 | H | 36.1 | Very low | 41.7 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 86% | 0.861 | 74% | 0.74 | S | S | * | * | | | trans | 66.1 | 84.9 | 146.2 | -46.1 | -64.2 | 0 | 0 | 0 | 118.3 | | |
| 39 | S | 39.5 | Very low | 40.9 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -151.7 | 117 | 140.4 | 56.6 | 0 | 0 | 0 | 0 | 110.9 | C41 | S39-C41 PolarHBondContact O-N 3.33Š|
| 40 | S | 34.6 | Very low | 40.4 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | | | trans | -74.3 | 107 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 41 | C | 38.2 | Very low | 40.3 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -110.7 | 107.2 | 164.7 | -70.9 | 0 | 0 | 0 | 0 | 107.3 | S39 | S39-C41 PolarHBondContact O-N 3.33Š|
| 42 | S | 44.7 | Very low | 40.2 | Very low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -64.6 | 134 | 175.9 | 55.3 | 0 | 0 | 0 | 0 | 110.8 | N44 | S42-N44 PolarHBondContact O-N 2.89Š|
| 43 | D | 37.2 | Very low | 40.5 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | | | trans | -47.5 | 116.5 | 160.5 | -78.2 | -47.8 | 0 | 0 | 0 | 110.9 | | |
| 44 | N | 43.2 | Very low | 40.6 | Very low | 148 Ų | 148 | 138.8 Ų | 138.8 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -131.5 | 84.5 | 154 | -91.1 | -2.3 | 0 | 0 | 0 | 107.3 | S42 D46 | S42-N44 PolarHBondContact O-N 2.89Å; N44-D46 PolarHBondContact O-N 3.16Å; N44-D46 VanDerWaalsContact O-N 3.09Å |
| 45 | N | 44.3 | Very low | 40.6 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 94.3 | 162.2 | -82.2 | -36.9 | 0 | 0 | 0 | 108.6 | | |
| 46 | D | 44.4 | Very low | 41 | Very low | 118 Ų | 118 | 136 Ų | 136 | 63% | 0.631 | 77% | 0.769 | S | S | * | * | | | trans | -129.6 | 67.3 | 169.5 | -154 | 1.3 | 0 | 0 | 0 | 109.7 | N44 N48 | N44-D46 PolarHBondContact O-N 3.16Å; N44-D46 VanDerWaalsContact O-N 3.09Å; D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.32Å |
| 47 | W | 49.2 | Very low | 41.3 | Very low | 236 Ų | 236 | 138.8 Ų | 138.8 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | -89.2 | 20.9 | 177.2 | -89.3 | 88.7 | 0 | 0 | 0 | 113.2 | | |
| 48 | N | 48.7 | Very low | 41.8 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -135.8 | 53.8 | -176.6 | -80.7 | -20.6 | 0 | 0 | 0 | 112.8 | D46 | D46-N48 VanDerWaalsContact C-N 3.26Å; D46-N48 PolarHBondContact O-N 3.32Å |
| 49 | K | 44.3 | Very low | 41.9 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | -141.7 | 90.7 | 157.6 | -74 | -158.4 | 176.1 | -164.4 | 0 | 111.8 | D51 | K49-D51 PolarHBondContact O-N 2.81Š|
| 50 | V | 42.1 | Very low | 41.8 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | trans | -68.3 | 110.7 | 151.4 | 172.3 | 0 | 0 | 0 | 0 | 106 | | |
| 51 | D | 46.7 | Very low | 41.9 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | | | trans | -154.3 | 120.7 | 154.1 | -105.3 | -27.9 | 0 | 0 | 0 | 110.3 | K49 | K49-D51 PolarHBondContact O-N 2.81Š|
| 52 | D | 39.6 | Very low | 42 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | -54 | 126 | 168.6 | -86.1 | -48.7 | 0 | 0 | 0 | 110.9 | | |
| 53 | S | 42.7 | Very low | 41.6 | Very low | 110 Ų | 110 | 144 Ų | 144 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | | | trans | 170.4 | 108.8 | 132.4 | 38.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 54 | S | 40 | Very low | 41.7 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | trans | 8.9 | 122.7 | 139.5 | 49.2 | 0 | 0 | 0 | 0 | 120 | | |
| 55 | N | 36.9 | Very low | 41.4 | Very low | 140 Ų | 140 | 146.6 Ų | 146.6 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | | | | 97.3 | 126.1 | 129.6 | -61.6 | -2.2 | 0 | 0 | 0 | 120 | | |
| 56 | T | 41.2 | Very low | 41.3 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | | | trans | 83.6 | 108.7 | 139.7 | 48.4 | 0 | 0 | 0 | 0 | 120.3 | | |
| 57 | L | 41.4 | Very low | 41.2 | Very low | 142 Ų | 142 | 147.2 Ų | 147.2 | 74% | 0.743 | 81% | 0.806 | S | S | * | * | | | | 74.1 | 112 | 124.4 | -76.2 | 158 | 0 | 0 | 0 | 118.9 | | |
| 58 | E | 42.2 | Very low | 40.5 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | | | | 95.9 | 121.6 | 122.9 | -94.7 | -170.5 | 177.5 | 0 | 0 | 121.2 | | |
| 59 | V | 39.7 | Very low | 40 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | | | trans | 97 | 97.1 | 141.4 | -176 | 0 | 0 | 0 | 0 | 118.8 | | |
| 60 | S | 37.2 | Very low | 39.6 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | 2.9 | 156.4 | 149.1 | -62.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 61 | P | 36.6 | Very low | 39.3 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | -107.5 | 147.1 | -155.3 | 37.4 | -24.5 | 0 | 0 | 0 | 115 | | |
| 62 | G | 40.3 | Very low | 38.9 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -113.6 | 129.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 63 | R | 35.6 | Very low | 38.6 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | | | trans | -61.1 | 148.9 | -179.5 | -58.6 | 160.9 | 84.7 | 175.5 | 7.5 | 112.8 | | |
| 64 | T | 39.9 | Very low | 38.7 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | | -170.6 | 137.8 | 123.4 | 16 | 0 | 0 | 0 | 0 | 113 | | |
| 65 | K | 35.3 | Very low | 38.7 | Very low | 194 Ų | 194 | 146.7 Ų | 146.7 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | -69.4 | 167.7 | 174.7 | -72.3 | 174 | 169.7 | -178.8 | 0 | 111.7 | | |
| 66 | L | 43 | Very low | 38.9 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | 144.3 | 134.8 | 148.6 | -76.5 | 168 | 0 | 0 | 0 | 106.2 | | |
| 67 | S | 42.4 | Very low | 39.3 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | | | cis | -176.7 | 153 | 2.2 | 41 | 0 | 0 | 0 | 0 | 106.5 | | |
| 68 | N | 34 | Very low | 39.4 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -40.9 | 139.6 | 174.1 | -74.6 | -7.8 | 0 | 0 | 0 | 116.1 | | |
| 69 | C | 38.1 | Very low | 39.5 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 95% | 0.946 | 81% | 0.814 | S | S | * | * | | | trans | -134.4 | 119.8 | 140.1 | -73.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 70 | Q | 35.8 | Very low | 39.7 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | | | trans | -97.5 | 159.9 | 175.4 | -166.8 | 176.6 | 24.9 | 0 | 0 | 107.8 | | |
| 71 | L | 36.1 | Very low | 39.9 | Very low | 143 Ų | 143 | 146.7 Ų | 146.7 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | | | trans | 86.6 | 108.3 | 160 | -138.3 | 73.8 | 0 | 0 | 0 | 116.4 | | |
| 72 | D | 38.1 | Very low | 40.3 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 82% | 0.819 | S | S | * | * | | | | -171.5 | 136.2 | 101.2 | -94.2 | -37.4 | 0 | 0 | 0 | 112.1 | | |
| 73 | D | 33.6 | Very low | 40.8 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | | | trans | -93.5 | 121 | -176.9 | -167 | 10.4 | 0 | 0 | 0 | 108 | | |
| 74 | L | 45.1 | Very low | 41.7 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | | | trans | -136.9 | 102.4 | 174.6 | -78.5 | 173.4 | 0 | 0 | 0 | 110.4 | | |
| 75 | N | 40.8 | Very low | 42 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 75% | 0.754 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -58 | 152.2 | 171 | -85.4 | -65.3 | 0 | 0 | 0 | 113 | | |
| 76 | P | 40.5 | Very low | 42.8 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 150.5 | -175.2 | 35.7 | -32.9 | 0 | 0 | 0 | 112.6 | | |
| 77 | P | 48.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 134.8 | 172 | 32.4 | -29.5 | 0 | 0 | 0 | 113 | | |
| 78 | E | 44.3 | Very low | 43.2 | Very low | 170 Ų | 170 | 133.8 Ų | 133.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -33.8 | 156.5 | 162.1 | -86 | 178 | 120.2 | 0 | 0 | 119.9 | | |
| 79 | N | 43.4 | Very low | 44.6 | Very low | 132 Ų | 132 | 136.3 Ų | 136.3 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | 79.1 | 94.8 | 143.8 | -69.7 | -36.2 | 0 | 0 | 0 | 120.3 | | |
| 80 | T | 45.4 | Very low | 45.3 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 87% | 0.871 | 81% | 0.808 | S | S | * | * | | | trans | -156.7 | 118.4 | 137.2 | -17.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 81 | P | 39.8 | Very low | 46.8 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | | | trans | -105.5 | 116.9 | 167 | 33.6 | -21.7 | 0 | 0 | 0 | 110.1 | | |
| 82 | S | 45.5 | Very low | 48.3 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 82% | 0.815 | S | S | * | * | | | trans | -165.1 | 105.7 | 162.7 | -165.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 83 | A | 51.3 | Low | 49.6 | Very low | 91 Ų | 91 | 147.8 Ų | 147.8 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | | | | 168.1 | 124.7 | 128.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 84 | P | 54 | Low | 50.9 | Low | 114 Ų | 114 | 148.8 Ų | 148.8 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | | | trans | -82 | 161.7 | 178.6 | 34.2 | -33.1 | 0 | 0 | 0 | 112 | | |
| 85 | P | 47 | Very low | 51.9 | Low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -90.7 | 126.4 | -175.8 | 34.4 | -29 | 0 | 0 | 0 | 111.1 | | |
| 86 | T | 50.8 | Low | 52.9 | Low | 143 Ų | 143 | 147.2 Ų | 147.2 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | | | trans | -130 | 80 | 167.4 | 50.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 87 | G | 44.7 | Very low | 53.7 | Low | 80 Ų | 80 | 147.2 Ų | 147.2 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | | | trans | -90.9 | 112.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 88 | S | 51 | Low | 53.7 | Low | 114 Ų | 114 | 152 Ų | 152 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -46.5 | 129 | -172.8 | -173.2 | 0 | 0 | 0 | 0 | 116.7 | R90 | S88-R90 PolarHBondContact O-N 3.4Š|
| 89 | K | 61.6 | Low | 53.7 | Low | 210 Ų | 210 | 149.7 Ų | 149.7 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -66.8 | 107.1 | 164.3 | -76.4 | -178.7 | 177.5 | 174.5 | 0 | 109.5 | R91 | K89-R91 PolarHBondContact O-N 3.12Š|
| 90 | R | 54.1 | Low | 54 | Low | 243 Ų | 243 | 150 Ų | 150 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | | | trans | -70.2 | 107.6 | 172.7 | -167.6 | 173.1 | 156.7 | -171.4 | -6.9 | 110.1 | S88 K92 | S88-R90 PolarHBondContact O-N 3.4Å; R90-K92 PolarHBondContact O-N 3.19Å |
| 91 | R | 67.2 | Low | 53.8 | Low | 230 Ų | 230 | 150.4 Ų | 150.4 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | | | trans | -58.4 | 122.6 | 172.9 | -174.7 | 178.2 | 179.6 | -162.6 | 0.8 | 110.1 | K89 Q93 | K89-R91 PolarHBondContact O-N 3.12Å; R91-Q93 PolarHBondContact O-N 3.37Å |
| 92 | K | 68.1 | Low | 54.1 | Low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | | | trans | -67.6 | 111.3 | 165.2 | -78.5 | -171 | 177.3 | -178.6 | 0 | 107.8 | R90 | R90-K92 PolarHBondContact O-N 3.19Š|
| 93 | Q | 64.3 | Low | 54 | Low | 177 Ų | 177 | 150.2 Ų | 150.2 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 116.4 | 168.3 | -149.6 | 175.9 | 7.4 | 0 | 0 | 106.9 | R91 | R91-Q93 PolarHBondContact O-N 3.37Š|
| 94 | I | 60.7 | Low | 53.7 | Low | 159 Ų | 159 | 153 Ų | 153 | 82% | 0.815 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79 | 123.8 | 173.6 | -61.6 | 168.9 | 0 | 0 | 0 | 106.6 | | |
| 95 | L | 66.1 | Low | 53.2 | Low | 150 Ų | 150 | 152.5 Ų | 152.5 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 138.4 | 171.1 | -70.4 | 171 | 0 | 0 | 0 | 109.1 | | |
| 96 | P | 63.1 | Low | 53.1 | Low | 124 Ų | 124 | 155.3 Ų | 155.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 129.1 | 173.6 | 5.6 | 5.5 | 0 | 0 | 0 | 110.6 | | |
| 97 | S | 57.2 | Low | 52.6 | Low | 112 Ų | 112 | 155 Ų | 155 | 78% | 0.783 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 125.1 | 167.3 | 35.5 | 0 | 0 | 0 | 0 | 109.8 | T99 | S97-T99 PolarHBondContact O-N 2.9Š|
| 98 | R | 48.7 | Very low | 52.2 | Low | 233 Ų | 233 | 155.7 Ų | 155.7 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | | | trans | -66 | 112.4 | 169.9 | -96.6 | 177.3 | 154.3 | 171.6 | -8 | 109.4 | | |
| 99 | T | 44.3 | Very low | 51.7 | Low | 121 Ų | 121 | 157 Ų | 157 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | | | trans | -80.6 | 114.2 | 157.3 | 38.8 | 0 | 0 | 0 | 0 | 108.7 | S97 N101 | S97-T99 PolarHBondContact O-N 2.9Å; T99-N101 PolarHBondContact O-N 3.06Å |
| 100 | N | 48.9 | Very low | 50.8 | Low | 137 Ų | 137 | 155.4 Ų | 155.4 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | trans | -91.4 | 90.7 | 170 | -62.5 | -12.5 | 0 | 0 | 0 | 108 | | |
| 101 | N | 41.6 | Very low | 50.2 | Low | 152 Ų | 152 | 149.6 Ų | 149.6 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -102 | 105.5 | 160.2 | -66.6 | -6.1 | 0 | 0 | 0 | 106.3 | T99 | T99-N101 PolarHBondContact O-N 3.06Š|
| 102 | S | 45.4 | Very low | 49 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | | | trans | -135.3 | 87.3 | 165.6 | -167.7 | 0 | 0 | 0 | 0 | 107.7 | D104 | S102-D104 PolarHBondContact O-N 2.89Š|
| 103 | T | 43.8 | Very low | 47.7 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | | | trans | -47.5 | 124 | 144.9 | 20.7 | 0 | 0 | 0 | 0 | 109 | | |
| 104 | D | 44.1 | Very low | 46.8 | Very low | 150 Ų | 150 | 143.6 Ų | 143.6 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | | -171.6 | 139.2 | 130 | -105.4 | -25.5 | 0 | 0 | 0 | 113.4 | S102 | S102-D104 PolarHBondContact O-N 2.89Š|
| 105 | S | 44.9 | Very low | 45.8 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | | | trans | 74.5 | 95.6 | 153.1 | 71.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 106 | H | 43.6 | Very low | 44.7 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | | 17.5 | 118.5 | 126.6 | -62.5 | -74.9 | 0 | 0 | 0 | 119.4 | | |
| 107 | C | 41.3 | Very low | 43.7 | Very low | 136 Ų | 136 | 148.1 Ų | 148.1 | 92% | 0.919 | 80% | 0.802 | S | S | * | * | | | | -160.5 | 122.8 | 123.3 | -96.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 108 | A | 36.9 | Very low | 42.9 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | | | trans | -70.2 | 153.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 109 | V | 40.3 | Very low | 42.6 | Very low | 140 Ų | 140 | 143.9 Ų | 143.9 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | | 177.6 | 135 | 117.7 | 158.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 110 | Q | 41.5 | Very low | 42.8 | Very low | 177 Ų | 177 | 145.7 Ų | 145.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -51 | 150.7 | -179.2 | -62.2 | 158.6 | -17.5 | 0 | 0 | 115.9 | | |
| 111 | S | 41.4 | Very low | 42.6 | Very low | 121 Ų | 121 | 148.1 Ų | 148.1 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | | 173.8 | 145.2 | 108.6 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 112 | E | 42.5 | Very low | 43 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | | | trans | -88.2 | 145.2 | -173.8 | -56.2 | 175.4 | 138.5 | 0 | 0 | 112 | | |
| 113 | H | 41.9 | Very low | 43.1 | Very low | 171 Ų | 171 | 150.2 Ų | 150.2 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | trans | -177.3 | 105.6 | 141 | -106.4 | -63.3 | 0 | 0 | 0 | 107.4 | | |
| 114 | E | 44.2 | Very low | 43.3 | Very low | 122 Ų | 122 | 153.8 Ų | 153.8 | 57% | 0.57 | 81% | 0.807 | S | S | * | * | | | | 85.8 | 112.7 | 76.2 | -162.7 | 172.1 | -170 | 0 | 0 | 114.2 | | |
| 115 | K | 39.3 | Very low | 43.4 | Very low | 172 Ų | 172 | 154.3 Ų | 154.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | 53.8 | 115.3 | 149.7 | -66.1 | 168.3 | -172.5 | 161.7 | 0 | 119.6 | | |
| 116 | S | 42.9 | Very low | 43.4 | Very low | 117 Ų | 117 | 159.7 Ų | 159.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | | -173 | 121 | 106.9 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 117 | R | 43.1 | Very low | 43.4 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -68.5 | 138 | 160.7 | -67.4 | 172.5 | 170.7 | 169.4 | -4 | 108.3 | | |
| 118 | N | 39.9 | Very low | 43.6 | Very low | 143 Ų | 143 | 159.5 Ų | 159.5 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -155.4 | 116.2 | 148.5 | -109.7 | -1.7 | 0 | 0 | 0 | 111.6 | | |
| 119 | C | 43.5 | Very low | 43.9 | Very low | 112 Ų | 112 | 160.9 Ų | 160.9 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -65.9 | 136.6 | 165.3 | -70.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 120 | H | 47.5 | Very low | 43.9 | Very low | 159 Ų | 159 | 162.7 Ų | 162.7 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -127 | 95 | 161 | -75.1 | -55.8 | 0 | 0 | 0 | 110.1 | | |
| 121 | H | 44.2 | Very low | 43.8 | Very low | 189 Ų | 189 | 162.1 Ų | 162.1 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | trans | -68.6 | 123.5 | 156.2 | -74.1 | -65.4 | 0 | 0 | 0 | 108.3 | | |
| 122 | K | 49.9 | Very low | 43.9 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | trans | -108.7 | 130.9 | 165.8 | -79.3 | -167.1 | 173.7 | -176.5 | 0 | 111.1 | | |
| 123 | S | 47.6 | Very low | 43.8 | Very low | 109 Ų | 109 | 160.6 Ų | 160.6 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | trans | -61.7 | 146.5 | -168.3 | 177.2 | 0 | 0 | 0 | 0 | 114.9 | H125 | S123-H125 PolarHBondContact O-N 2.91Š|
| 124 | K | 48.5 | Very low | 43.7 | Very low | 203 Ų | 203 | 159.7 Ų | 159.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | | | trans | -74.1 | 114.1 | 164.8 | -71.2 | -174 | 176.1 | -179.3 | 0 | 109.5 | R126 | K124-R126 PolarHBondContact O-N 2.97Š|
| 125 | H | 46.6 | Very low | 43.4 | Very low | 161 Ų | 161 | 160.9 Ų | 160.9 | 75% | 0.745 | 78% | 0.775 | S | S | * | * | | | trans | -79.7 | 107.3 | 166.3 | -112.1 | -74.7 | 0 | 0 | 0 | 109.9 | S123 H127 | S123-H125 PolarHBondContact O-N 2.91Å; H125-H127 AromaticContact ND1-NE2 3.87Å |
| 126 | R | 43.9 | Very low | 43.4 | Very low | 215 Ų | 215 | 159.5 Ų | 159.5 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -80.4 | 117.9 | 157.5 | -79.1 | -173.9 | 173.6 | -165.3 | -0.8 | 107.8 | K124 | K124-R126 PolarHBondContact O-N 2.97Š|
| 127 | H | 45 | Very low | 43.2 | Very low | 172 Ų | 172 | 159.9 Ų | 159.9 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -92.5 | 95.2 | 160.8 | -86.7 | -78.9 | 0 | 0 | 0 | 108.7 | H125 | H125-H127 AromaticContact ND1-NE2 3.87Š|
| 128 | H | 45.5 | Very low | 43.2 | Very low | 146 Ų | 146 | 156.9 Ų | 156.9 | 68% | 0.676 | 77% | 0.766 | S | S | * | * | | | trans | -89.9 | 158.9 | 150.6 | -98.6 | -65.3 | 0 | 0 | 0 | 108.3 | | |
| 129 | N | 42.4 | Very low | 43.2 | Very low | 124 Ų | 124 | 158.8 Ų | 158.8 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | | | trans | 94.9 | 136 | 171.5 | -59 | -29.5 | 0 | 0 | 0 | 114.2 | | |
| 130 | R | 41.1 | Very low | 42.9 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | | | cis | -164.3 | 136 | -2.7 | -112 | 164.2 | -159.7 | -171.3 | -1.2 | 104.7 | F132 | R130-F132 HydrophobicContact CB-CD2 3.99Å; R130-F132 HydrophobicContact CB-CE2 4.06Å; R130-F132 HydrophobicContact CG-CE2 4.33Å; R130-F132 PolarHBondContact O-N 3.31Å |
| 131 | I | 39.8 | Very low | 42.6 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -67 | 125.3 | 160.4 | -63.1 | 165.5 | 0 | 0 | 0 | 106.3 | | |
| 132 | F | 42.5 | Very low | 42.3 | Very low | 156 Ų | 156 | 157.4 Ų | 157.4 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | | | trans | -131.6 | 119 | 161.8 | -90.2 | -78.4 | 0 | 0 | 0 | 107.4 | R130 | R130-F132 HydrophobicContact CB-CD2 3.99Å; R130-F132 HydrophobicContact CB-CE2 4.06Å; R130-F132 HydrophobicContact CG-CE2 4.33Å; R130-F132 PolarHBondContact O-N 3.31Å |
| 133 | P | 40.5 | Very low | 41.8 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | trans | -88.9 | 122.6 | 155.4 | 32.2 | -21.5 | 0 | 0 | 0 | 107.3 | | |
| 134 | H | 39.2 | Very low | 41.5 | Very low | 152 Ų | 152 | 152.4 Ų | 152.4 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | | | trans | -122.9 | 102.3 | 172.4 | -159.6 | -71.1 | 0 | 0 | 0 | 108.7 | M136 | H134-M136 VanDerWaalsContact CE1-CG 3.43Å; H134-M136 WeakPolarHBondContact CE1-CG 3.28Å; H134-M136 WeakPolarHBondContact ND1-CG 3.39Å; H134-M136 PolarHBondContact O-N 2.99Å |
| 135 | D | 37.6 | Very low | 41.1 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | | | trans | -55.5 | 125.5 | 157.3 | -103.7 | -32.1 | 0 | 0 | 0 | 108.8 | | |
| 136 | M | 40.2 | Very low | 40.7 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 70% | 0.704 | 77% | 0.766 | S | S | * | * | | | trans | -130 | 97.8 | 155 | -74.3 | -147.7 | 67.8 | 0 | 0 | 108.4 | H134 | H134-M136 VanDerWaalsContact CE1-CG 3.43Å; H134-M136 WeakPolarHBondContact CE1-CG 3.28Å; H134-M136 WeakPolarHBondContact ND1-CG 3.39Å; H134-M136 PolarHBondContact O-N 2.99Å |
| 137 | V | 38.4 | Very low | 40.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -71.1 | 118.8 | 156 | 174.7 | 0 | 0 | 0 | 0 | 107.1 | | |
| 138 | E | 43.4 | Very low | 39.9 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | trans | -130.2 | 131.7 | 160.3 | -151.2 | 171.2 | -162.4 | 0 | 0 | 110.2 | | |
| 139 | K | 40.4 | Very low | 39.5 | Very low | 184 Ų | 184 | 136.4 Ų | 136.4 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | | | trans | -78.9 | 164.7 | -166.4 | -78.1 | 174.6 | 169.5 | 176.4 | 0 | 113.4 | | |
| 140 | C | 36.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 107.1 | 113.3 | 143.2 | -86.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 141 | G | 41.1 | Very low | 39.4 | Very low | 78 Ų | 78 | 133.5 Ų | 133.5 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 176.9 | 85.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 142 | Y | 38 | Very low | 39.2 | Very low | 231 Ų | 231 | 132.1 Ų | 132.1 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -60.4 | 140.2 | 178.9 | -80 | -101.3 | 0 | 0 | 0 | 112.8 | | |
| 143 | G | 40.4 | Very low | 39.2 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -175.6 | 53.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 144 | V | 39.8 | Very low | 39.1 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | trans | 49.8 | 118.5 | 140.2 | -163.1 | 0 | 0 | 0 | 0 | 120.9 | | |
| 145 | S | 40.2 | Very low | 39.1 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | 77.9 | 133.5 | 152.3 | -65.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 146 | S | 39.7 | Very low | 39 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | -162.3 | 144.4 | 14.1 | 54.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 147 | S | 37.1 | Very low | 38.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | 56.5 | 107.9 | 143 | 77.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 148 | C | 33.7 | Very low | 38.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | | | | 111.3 | 131.9 | 83.4 | 62.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 149 | T | 37.2 | Very low | 38.2 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | cis | -162.8 | 141.7 | 28.7 | -47.2 | 0 | 0 | 0 | 0 | 108 | | |
| 150 | V | 38.6 | Very low | 37.9 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | trans | -112.6 | 156.3 | 168.3 | -167.8 | 0 | 0 | 0 | 0 | 107.3 | N152 | V150-N152 HydrophobicContact CG1-CB 4.26Š|
| 151 | P | 43.7 | Very low | 37.6 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | | | | -143.5 | 128.5 | 97.8 | 33.5 | -16.1 | 0 | 0 | 0 | 112.3 | | |
| 152 | N | 34.5 | Very low | 37.1 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | | 74 | 108.8 | 71.9 | -142.1 | 28.3 | 0 | 0 | 0 | 114.6 | V150 | V150-N152 HydrophobicContact CG1-CB 4.26Š|
| 153 | S | 42 | Very low | 36.7 | Very low | 112 Ų | 112 | 124 Ų | 124 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | 172.5 | 99.5 | 140.5 | 41.2 | 0 | 0 | 0 | 0 | 107.9 | | |
| 154 | N | 38.6 | Very low | 36.4 | Very low | 143 Ų | 143 | 127 Ų | 127 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | | | | 73 | 141.4 | 87.4 | -99.7 | 6.1 | 0 | 0 | 0 | 115.7 | | |
| 155 | D | 41 | Very low | 36 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | 84 | 111.3 | 178.8 | -56.4 | -17.9 | 0 | 0 | 0 | 114.3 | | |
| 156 | G | 34.7 | Very low | 35.6 | Very low | 63 Ų | 63 | 127.1 Ų | 127.1 | 65% | 0.649 | 75% | 0.75 | S | S | * | * | | | cis | 107.3 | 121.6 | 25.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 157 | H | 36.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 128 Ų | 128 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | | | trans | 93.6 | 116.2 | 162.8 | -65.8 | -90.1 | 0 | 0 | 0 | 120.1 | | |
| 158 | E | 37.5 | Very low | 35 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | | | | 92.8 | 90 | 128.7 | -72.9 | 171 | -158.4 | 0 | 0 | 119.6 | S160 | E158-S160 PolarHBondContact O-N 2.83Š|
| 159 | L | 31.9 | Very low | 35 | Very low | 186 Ų | 186 | 127.6 Ų | 127.6 | 97% | 0.974 | 76% | 0.76 | S | S | * | * | | | trans | -37.1 | 105.7 | 138.3 | -67 | 167.1 | 0 | 0 | 0 | 110.9 | | |
| 160 | S | 34.2 | Very low | 34.7 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 56% | 0.559 | 77% | 0.766 | S | S | * | * | | | trans | -143.8 | 122.2 | 161.2 | 43.9 | 0 | 0 | 0 | 0 | 109.4 | E158 I162 | E158-S160 PolarHBondContact O-N 2.83Å; S160-I162 PolarHBondContact O-N 3.31Å |
| 161 | S | 28.8 | Very low | 34.8 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -44.9 | 111.9 | 167.8 | 44.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 162 | I | 31.7 | Very low | 34.1 | Very low | 123 Ų | 123 | 135.8 Ų | 135.8 | 63% | 0.631 | 77% | 0.773 | S | S | * | * | | | trans | -119.1 | 101.2 | 170.4 | -65 | 176.3 | 0 | 0 | 0 | 108.3 | S160 L164 | S160-I162 PolarHBondContact O-N 3.31Å; I162-L164 HydrophobicContact CG2-CB 4.13Å; I162-L164 HydrophobicContact CG2-CD1 3.36Å; I162-L164 HydrophobicContact CG2-CG 3.4Å; I162-L164 PolarHBondContact O-N 3.08Å |
| 163 | I | 28.7 | Very low | 34.2 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 80% | 0.795 | 77% | 0.77 | S | S | * | * | | | trans | -62.7 | 106.8 | 156.8 | -62.8 | 168.4 | 0 | 0 | 0 | 105.7 | | |
| 164 | L | 34.8 | Very low | 34.1 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | trans | -120.8 | 101.4 | 171.3 | -96.2 | 164.2 | 0 | 0 | 0 | 109.2 | I162 S166 | I162-L164 HydrophobicContact CG2-CB 4.13Å; I162-L164 HydrophobicContact CG2-CD1 3.36Å; I162-L164 HydrophobicContact CG2-CG 3.4Å; I162-L164 PolarHBondContact O-N 3.08Å; L164-S166 PolarHBondContact O-N 3.27Å |
| 165 | N | 31.1 | Very low | 33.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | -64.4 | 102.9 | 159.5 | -65.1 | -40.5 | 0 | 0 | 0 | 108 | | |
| 166 | S | 31.8 | Very low | 33.4 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | | | trans | -143.1 | 124.7 | 169.7 | 61.7 | 0 | 0 | 0 | 0 | 111.3 | L164 | L164-S166 PolarHBondContact O-N 3.27Š|
| 167 | P | 30.2 | Very low | 33.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -69.6 | 169.8 | 171 | -12.1 | 28.4 | 0 | 0 | 0 | 112.5 | | |
| 168 | P | 34.3 | Very low | 33.1 | Very low | 132 Ų | 132 | 137.3 Ų | 137.3 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -84 | 120.5 | -135.1 | 32.7 | -35.3 | 0 | 0 | 0 | 114.2 | | |
| 169 | G | 32.4 | Very low | 32.9 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | | | trans | -104.3 | 111.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K171 | G169-K171 PolarHBondContact O-N 3.33Š|
| 170 | K | 31.9 | Very low | 32.8 | Very low | 217 Ų | 217 | 128.6 Ų | 128.6 | 94% | 0.943 | 76% | 0.762 | S | S | * | * | | | trans | -50.3 | 106.5 | 170.5 | -68.9 | 173.9 | 177.7 | 177.1 | 0 | 110.8 | | |
| 171 | K | 40.6 | Very low | 33.2 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 85% | 0.848 | 76% | 0.762 | S | S | * | * | | | trans | -138.2 | 98.5 | 162.2 | -71.1 | -171.8 | 179.6 | 178.2 | 0 | 108.7 | G169 S173 | G169-K171 PolarHBondContact O-N 3.33Å; K171-S173 PolarHBondContact O-N 2.98Å |
| 172 | T | 29.9 | Very low | 33.9 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -59.5 | 107 | 170.5 | 44.3 | 0 | 0 | 0 | 0 | 110 | | |
| 173 | S | 36.7 | Very low | 35 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | | | trans | -88.7 | 114 | 164.9 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | K171 A175 | K171-S173 PolarHBondContact O-N 2.98Å; S173-A175 PolarHBondContact O-N 3.3Å |
| 174 | I | 38.6 | Very low | 36.6 | Very low | 155 Ų | 155 | 119.9 Ų | 119.9 | 80% | 0.795 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 53.4 | -177.4 | -63.6 | 160 | 0 | 0 | 0 | 110.4 | | |
| 175 | A | 32.8 | Very low | 37.9 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 78% | 0.777 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.1 | 1.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | S173 | S173-A175 PolarHBondContact O-N 3.3Š|
| 176 | E | 33.2 | Very low | 39.5 | Very low | 170 Ų | 170 | 114 Ų | 114 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -103.2 | 1 | 178.1 | -125.9 | 169 | -177.9 | 0 | 0 | 113 | Q178 | E176-Q178 VanDerWaalsContact C-N 3.29Å; E176-Q178 PolarHBondContact O-N 3.06Å |
| 177 | S | 30.7 | Very low | 41.6 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 9.7 | -166.9 | -27.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 178 | Q | 33.4 | Very low | 43.8 | Very low | 198 Ų | 198 | 110.4 Ų | 110.4 | 93% | 0.925 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 4.4 | -177.9 | -69 | -168.5 | 16.7 | 0 | 0 | 115 | E176 | E176-Q178 VanDerWaalsContact C-N 3.29Å; E176-Q178 PolarHBondContact O-N 3.06Å |
| 179 | S | 32.7 | Very low | 46 | Very low | 83 Ų | 83 | 109.5 Ų | 109.5 | 58% | 0.58 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -101.8 | 104.6 | 163.7 | -149.5 | 0 | 0 | 0 | 0 | 107.9 | T181 | S179-T181 PolarHBondContact O-N 3.36Š|
| 180 | G | 31 | Very low | 48.1 | Very low | 74 Ų | 74 | 108 Ų | 108 | 76% | 0.763 | 63% | 0.627 | S | S | * | * | | | trans | -65.6 | 70.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S182 | G180-S182 PolarHBondContact O-N 3.48Š|
| 181 | T | 42.4 | Very low | 50 | Low | 91 Ų | 91 | 103.1 Ų | 103.1 | 56% | 0.558 | 61% | 0.607 | S | S | * | * | | | trans | -79.3 | 93.1 | 168 | 51.4 | 0 | 0 | 0 | 0 | 106.4 | S179 T183 | S179-T181 PolarHBondContact O-N 3.36Å; T181-T183 PolarHBondContact O-N 3.09Å |
| 182 | S | 43.1 | Very low | 51.1 | Low | 81 Ų | 81 | 94.4 Ų | 94.4 | 57% | 0.566 | 57% | 0.571 | S | S | * | * | | | trans | -54 | 97.4 | 154.8 | 176.6 | 0 | 0 | 0 | 0 | 106.2 | G180 V184 M187 | G180-S182 PolarHBondContact O-N 3.48Å; S182-V184 PolarHBondContact O-N 3.42Å; S182-M187 WeakPolarHBondContact O-CE 3.09Å |
| 183 | T | 55.3 | Low | 52.4 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 71% | 0.706 | 57% | 0.565 | S | S | * | * | | | trans | -79.9 | 75.7 | -175.3 | 33 | 0 | 0 | 0 | 0 | 108.1 | T181 P185 | T181-T183 PolarHBondContact O-N 3.09Å; T183-P185 WeakPolarHBondContact O-CD 3.41Å |
| 184 | V | 62 | Low | 52.8 | Low | 10 Ų | 10 | 101 Ų | 101 | 6% | 0.061 | 58% | 0.575 | C | S | . | * | | | trans | -62.3 | 124.6 | 169.3 | -165.3 | 0 | 0 | 0 | 0 | 107.9 | A23 A26 L27 S182 G186 M187 | A23-V184 VanDerWaalsContact CA-CG1 3.41Å; A23-V184 HydrophobicContact CB-CB 4.02Å; A23-V184 HydrophobicContact CB-CG1 3.18Å; A26-V184 HydrophobicContact CB-CG1 3.75Å; A26-V184 HydrophobicContact CB-CG2 4.03Å; L27-V184 HydrophobicContact CD2-CG2 3.88Å; L27-V184 HydrophobicContact CG-CG2 4.08Å; S182-V184 PolarHBondContact O-N 3.42Å; V184-G186 PolarHBondContact O-N 3.49Å; V184-M187 HydrophobicContact CB-CB 4.23Å; V184-M187 HydrophobicContact CG2-CE 4.44Å; V184-M187 VanDerWaalsContact O-CB 3.25Å; V184-M187 WeakPolarHBondContact O-CB 3.45Å; V184-M187 PolarHBondContact O-N 3.37Å |
| 185 | P | 62.4 | Low | 53.4 | Low | 110 Ų | 110 | 100.8 Ų | 100.8 | 71% | 0.714 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | 130 | -176.7 | -28.7 | 35.6 | 0 | 0 | 0 | 112.1 | P20 T183 M187 | P20-P185 WeakPolarHBondContact CG-O 2.82Å; T183-P185 WeakPolarHBondContact O-CD 3.41Å; P185-M187 VanDerWaalsContact C-N 3.27Å; P185-M187 PolarHBondContact O-N 3.09Å |
| 186 | G | 65 | Low | 54.2 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 59% | 0.588 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 82.5 | -8.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V184 H188 | V184-G186 PolarHBondContact O-N 3.49Å; G186-H188 PolarHBondContact O-ND1 3.31Å |
| 187 | M | 74.6 | Confident | 55.3 | Low | 43 Ų | 43 | 96.2 Ų | 96.2 | 21% | 0.212 | 53% | 0.534 | C | S | . | . | | | trans | -72.9 | 131.1 | 172.8 | -172.9 | 177.9 | 64.9 | 0 | 0 | 110.7 | F17 V18 A19 L27 S182 V184 P185 F217 | F17-M187 HydrophobicContact CB-CG 4.31Å; F17-M187 HydrophobicContact CB-SD 4.45Å; F17-M187 HydrophobicContact CD1-CG 4.17Å; F17-M187 HydrophobicContact CD1-SD 4.13Å; F17-M187 HydrophobicContact CG-SD 4.43Å; V18-M187 VanDerWaalsContact O-CA 3.32Å; V18-M187 WeakPolarHBondContact O-CA 3.37Å; A19-M187 HydrophobicContact CB-CG 4.46Å; L27-M187 HydrophobicContact CD1-SD 4.1Å; L27-M187 HydrophobicContact CD2-CE 4.44Å; L27-M187 HydrophobicContact CD2-SD 3.85Å; S182-M187 WeakPolarHBondContact O-CE 3.09Å; V184-M187 HydrophobicContact CB-CB 4.23Å; V184-M187 HydrophobicContact CG2-CE 4.44Å; V184-M187 VanDerWaalsContact O-CB 3.25Å; V184-M187 WeakPolarHBondContact O-CB 3.45Å; V184-M187 PolarHBondContact O-N 3.37Å; P185-M187 VanDerWaalsContact C-N 3.27Å; P185-M187 PolarHBondContact O-N 3.09Å; M187-F217 HydrophobicContact SD-CD1 4.37Å; M187-F217 HydrophobicContact SD-CE1 3.96Å |
| 188 | H | 76.1 | Confident | 56.6 | Low | 98 Ų | 98 | 98.9 Ų | 98.9 | 45% | 0.454 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 142.3 | 174.1 | 60.1 | -79.8 | 0 | 0 | 0 | 111.5 | F17 V18 G186 | F17-H188 WeakPolarHBondContact CA-O 3.29Å; V18-H188 PolarHBondContact N-O 3.42Å; V18-H188 PolarHBondContact O-N 3.07Å; G186-H188 PolarHBondContact O-ND1 3.31Å |
| 189 | Q | 81.9 | Confident | 57.9 | Low | 114 Ų | 114 | 92.7 Ų | 92.7 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 132.1 | 177.5 | -169.8 | 178.9 | -8.5 | 0 | 0 | 110.4 | I16 F17 H191 | I16-Q189 CarbonylContact O-C 3.55Å; I16-Q189 WeakPolarHBondContact O-CA 3.28Å; I16-Q189 WeakPolarHBondContact O-CG 3.5Å; F17-Q189 HydrophobicContact CD1-CB 3.86Å; F17-Q189 HydrophobicContact CD1-CG 4.25Å; F17-Q189 HydrophobicContact CE1-CB 3.67Å; F17-Q189 HydrophobicContact CE1-CG 3.89Å; F17-Q189 HydrophobicContact CZ-CB 4.4Å; F17-Q189 HydrophobicContact CZ-CG 4.13Å; Q189-H191 PolarHBondContact O-N 2.78Å |
| 190 | I | 75.2 | Confident | 58.9 | Low | 36 Ų | 36 | 92.9 Ų | 92.9 | 19% | 0.185 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.6 | 172 | -53.9 | 175.6 | 0 | 0 | 0 | 108.4 | I16 V18 C192 L197 L218 | I16-I190 HydrophobicContact CB-CB 4.37Å; I16-I190 HydrophobicContact CG2-CB 4.48Å; I16-I190 HydrophobicContact CG2-CD1 3.74Å; I16-I190 HydrophobicContact CG2-CG1 4.38Å; I16-I190 PolarHBondContact O-N 3.06Å; V18-I190 HydrophobicContact CG2-CD1 3.41Å; V18-I190 VanDerWaalsContact CG2-CD1 3.41Å; V18-I190 HydrophobicContact CG2-CG1 3.65Å; I190-C192 PolarHBondContact O-N 2.92Å; I190-C192 PolarHBondContact O-SG 2.96Å; I190-C192 VanDerWaalsContact O-SG 3.36Å; I190-L197 HydrophobicContact CD1-CD1 4.45Å; I190-L218 HydrophobicContact CD1-CD1 3.71Å |
| 191 | H | 71.3 | Confident | 60 | Low | 115 Ų | 115 | 100 Ų | 100 | 53% | 0.532 | 51% | 0.513 | S | S | . | . | | | trans | -77.3 | 102.7 | 172.3 | -164.1 | 65.2 | 0 | 0 | 0 | 110.3 | Q189 R193 | Q189-H191 PolarHBondContact O-N 2.78Å; H191-R193 PolarHBondContact CE1-NE 3.12Å; H191-R193 WeakPolarHBondContact NE2-CD 3.36Å; H191-R193 WeakPolarHBondContact NE2-CG 3.34Å; H191-R193 PolarHBondContact NE2-NE 2.81Å; H191-R193 PolarHBondContact O-N 3.37Å |
| 192 | C | 65.1 | Low | 60.5 | Low | 12 Ų | 12 | 99.5 Ų | 99.5 | 8% | 0.081 | 51% | 0.505 | C | S | . | . | | | trans | -86.4 | 3.3 | -170.2 | -61.2 | 0 | 0 | 0 | 0 | 114.8 | I190 H194 K195 | I190-C192 PolarHBondContact O-N 2.92Å; I190-C192 PolarHBondContact O-SG 2.96Å; I190-C192 VanDerWaalsContact O-SG 3.36Å; C192-H194 PolarHBondContact O-N 3.31Å; C192-K195 PolarHBondContact O-N 3.23Å |
| 193 | R | 56.1 | Low | 60.7 | Low | 181 Ų | 181 | 99.9 Ų | 99.9 | 68% | 0.683 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -23 | -168.8 | -83.3 | -166.5 | -174.1 | 159.3 | -5.7 | 115.7 | H191 | H191-R193 PolarHBondContact CE1-NE 3.12Å; H191-R193 WeakPolarHBondContact NE2-CD 3.36Å; H191-R193 WeakPolarHBondContact NE2-CG 3.34Å; H191-R193 PolarHBondContact NE2-NE 2.81Å; H191-R193 PolarHBondContact O-N 3.37Å |
| 194 | H | 44.9 | Very low | 60.6 | Low | 184 Ų | 184 | 100.8 Ų | 100.8 | 85% | 0.852 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.9 | 22.2 | 174.4 | -58.5 | 98.2 | 0 | 0 | 0 | 113.2 | C192 | C192-H194 PolarHBondContact O-N 3.31Š|
| 195 | K | 51.3 | Low | 60.1 | Low | 149 Ų | 149 | 106 Ų | 106 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | | | trans | -125 | 110.9 | -172.3 | -67.6 | -174.2 | 179.8 | -179.1 | 0 | 110.7 | C192 L197 | C192-K195 PolarHBondContact O-N 3.23Å; K195-L197 PolarHBondContact O-N 3.21Å |
| 196 | I | 50.4 | Low | 59.8 | Low | 130 Ų | 130 | 108.8 Ų | 108.8 | 67% | 0.667 | 52% | 0.522 | S | S | * | . | | | trans | -69.5 | 114.1 | 163.1 | -59.4 | 172.8 | 0 | 0 | 0 | 106.6 | H198 | I196-H198 PolarHBondContact O-N 3.25Š|
| 197 | L | 56.4 | Low | 59.8 | Low | 39 Ų | 39 | 110.6 Ų | 110.6 | 20% | 0.204 | 52% | 0.518 | C | S | . | . | | | trans | -68.3 | 103.5 | 165.3 | -173.9 | 76 | 0 | 0 | 0 | 108.1 | M1 I190 K195 L199 L218 | M1-L197 HydrophobicContact CB-CB 4.41Å; M1-L197 HydrophobicContact CB-CD2 4.38Å; M1-L197 PolarHBondContact N-O 3.19Å; M1-L197 VanDerWaalsContact O-CB 3.23Å; M1-L197 WeakPolarHBondContact O-CB 3.41Å; I190-L197 HydrophobicContact CD1-CD1 4.45Å; K195-L197 PolarHBondContact O-N 3.21Å; L197-L199 HydrophobicContact CD2-CD1 4.08Å; L197-L199 HydrophobicContact CD2-CD2 3.79Å; L197-L199 HydrophobicContact CD2-CG 3.83Å; L197-L199 HydrophobicContact CG-CD2 4.02Å; L197-L199 HydrophobicContact CG-CG 4.05Å; L197-L199 PolarHBondContact O-N 3.19Å; L197-L218 HydrophobicContact CD1-CD1 3.87Å; L197-L218 HydrophobicContact CD2-CD1 3.64Å; L197-L218 HydrophobicContact CD2-CD2 4.19Å; L197-L218 HydrophobicContact CD2-CG 4.44Å; L197-L218 HydrophobicContact CG-CD1 4.39Å |
| 198 | H | 57 | Low | 59.4 | Low | 157 Ų | 157 | 111.9 Ų | 111.9 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | | | trans | -84.2 | 100.3 | 171.8 | -166.7 | -94.4 | 0 | 0 | 0 | 108.6 | I196 S200 | I196-H198 PolarHBondContact O-N 3.25Å; H198-S200 PolarHBondContact O-N 2.92Å |
| 199 | L | 62.2 | Low | 59.1 | Low | 68 Ų | 68 | 110.2 Ų | 110.2 | 36% | 0.356 | 53% | 0.525 | S | S | . | . | | | trans | -84.3 | 95.8 | 171.4 | -67 | 176 | 0 | 0 | 0 | 107.8 | M1 L197 L207 L218 | M1-L199 HydrophobicContact SD-CD1 3.88Å; L197-L199 HydrophobicContact CD2-CD1 4.08Å; L197-L199 HydrophobicContact CD2-CD2 3.79Å; L197-L199 HydrophobicContact CD2-CG 3.83Å; L197-L199 HydrophobicContact CG-CD2 4.02Å; L197-L199 HydrophobicContact CG-CG 4.05Å; L197-L199 PolarHBondContact O-N 3.19Å; L199-L207 HydrophobicContact CD2-CD2 3.65Å; L199-L218 HydrophobicContact CD2-CD2 4.2Å |
| 200 | S | 53 | Low | 58.3 | Low | 87 Ų | 87 | 105.8 Ų | 105.8 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | | | trans | -83.1 | 123.9 | 170.8 | 54.4 | 0 | 0 | 0 | 0 | 109.6 | H198 H202 | H198-S200 PolarHBondContact O-N 2.92Å; S200-H202 PolarHBondContact O-N 2.76Å |
| 201 | W | 53.4 | Low | 58 | Low | 223 Ų | 223 | 108.1 Ų | 108.1 | 85% | 0.845 | 52% | 0.519 | S | S | * | . | | | trans | -64.6 | 125.8 | 169.3 | -179.6 | 62.9 | 0 | 0 | 0 | 109.6 | P203 | W201-P203 HydrophobicContact CH2-CB 4.38Š|
| 202 | H | 54 | Low | 57.9 | Low | 81 Ų | 81 | 105.4 Ų | 105.4 | 38% | 0.375 | 51% | 0.513 | S | S | . | . | B | Isolated β-bridge | trans | -109.3 | 126 | 171.7 | -171.3 | -86.1 | 0 | 0 | 0 | 108.2 | S200 K204 K205 | S200-H202 PolarHBondContact O-N 2.76Å; H202-K204 PolarHBondContact ND1-N 2.73Å; H202-K204 PolarHBondContact O-N 2.89Å; H202-K205 HydrophobicContact CB-CB 3.95Å; H202-K205 WeakPolarHBondContact ND1-CG 3.42Å; H202-K205 PolarHBondContact ND1-N 2.78Å; H202-K205 VanDerWaalsContact ND1-N 3.16Å; H202-K205 PolarHBondContact O-N 2.93Å |
| 203 | P | 47.3 | Very low | 58.3 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 57% | 0.571 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -16.6 | -170.8 | 25.4 | -35.4 | 0 | 0 | 0 | 113.7 | W201 | W201-P203 HydrophobicContact CH2-CB 4.38Š|
| 204 | K | 52.5 | Low | 59.3 | Low | 134 Ų | 134 | 103.1 Ų | 103.1 | 58% | 0.583 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -18.4 | -176.7 | -75.1 | -168.9 | 179.5 | -169.3 | 0 | 113.7 | H202 F225 | H202-K204 PolarHBondContact ND1-N 2.73Å; H202-K204 PolarHBondContact O-N 2.89Å; K204-F225 HydrophobicContact CB-CE1 3.56Å; K204-F225 HydrophobicContact CB-CZ 3.59Å; K204-F225 HydrophobicContact CD-CE1 4.31Å; K204-F225 HydrophobicContact CG-CE1 4.32Å; K204-F225 WeakPolarHBondContact O-CE1 3.15Å; K204-F225 WeakPolarHBondContact O-CZ 3.06Å |
| 205 | K | 52.2 | Low | 60.8 | Low | 121 Ų | 121 | 99.5 Ų | 99.5 | 53% | 0.526 | 51% | 0.509 | S | S | . | . | B | Isolated β-bridge | trans | -113 | 109.4 | -174.5 | -66.5 | 176.8 | 179.7 | -179.1 | 0 | 108 | H202 F225 | H202-K205 HydrophobicContact CB-CB 3.95Å; H202-K205 WeakPolarHBondContact ND1-CG 3.42Å; H202-K205 PolarHBondContact ND1-N 2.78Å; H202-K205 VanDerWaalsContact ND1-N 3.16Å; H202-K205 PolarHBondContact O-N 2.93Å; K205-F225 HydrophobicContact CG-CE2 3.98Å; K205-F225 HydrophobicContact CG-CZ 3.82Å |
| 206 | F | 56.9 | Low | 62.2 | Low | 168 Ų | 168 | 92.6 Ų | 92.6 | 74% | 0.737 | 48% | 0.48 | S | S | * | . | | | trans | -78.5 | 120.5 | 172.9 | -63.8 | -83.1 | 0 | 0 | 0 | 108.5 | | |
| 207 | L | 63.7 | Low | 63.4 | Low | 95 Ų | 95 | 87 Ų | 87 | 50% | 0.497 | 45% | 0.45 | S | S | . | . | | | trans | -92.9 | 116 | 167.1 | -175.8 | 70 | 0 | 0 | 0 | 107 | L199 V209 L218 | L199-L207 HydrophobicContact CD2-CD2 3.65Å; L207-V209 HydrophobicContact CD2-CG2 4.09Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; L207-L218 HydrophobicContact CD2-CD2 4.32Å |
| 208 | T | 65.7 | Low | 64.4 | Low | 70 Ų | 70 | 85.8 Ų | 85.8 | 43% | 0.429 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 129.2 | 173.7 | -60 | 0 | 0 | 0 | 0 | 108.1 | V219 | T208-V219 HydrophobicContact CG2-CB 3.98Å; T208-V219 HydrophobicContact CG2-CG1 4.36Å; T208-V219 HydrophobicContact CG2-CG2 4.25Å; T208-V219 WeakPolarHBondContact O-CA 3.45Å; T208-V219 WeakPolarHBondContact O-CB 3.05Å; T208-V219 PolarHBondContact O-N 2.74Å |
| 209 | V | 69.8 | Low | 65 | Low | 63 Ų | 63 | 78.3 Ų | 78.3 | 38% | 0.382 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 129.6 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | L207 L216 F217 L218 | L207-V209 HydrophobicContact CD2-CG2 4.09Å; L207-V209 HydrophobicContact CG-CG2 4.1Å; V209-L216 HydrophobicContact CG1-CD1 3.32Å; V209-L216 HydrophobicContact CG1-CG 4.06Å; V209-F217 CarbonylContact C-O 3.57Å; V209-F217 WeakPolarHBondContact CA-O 3.32Å; V209-L218 HydrophobicContact CG1-CD2 4.22Å; V209-L218 HydrophobicContact CG2-CD2 3.91Å |
| 210 | A | 65.5 | Low | 65.1 | Low | 20 Ų | 20 | 77.8 Ų | 77.8 | 17% | 0.165 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 147.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F28 F217 | F28-A210 HydrophobicContact CE2-CB 3.99Å; F28-A210 HydrophobicContact CZ-CB 4.01Å; A210-F217 HydrophobicContact CB-CB 4.29Å; A210-F217 PolarHBondContact N-O 3.01Å; A210-F217 PolarHBondContact O-N 3.38Å |
| 211 | I | 69.6 | Low | 65.1 | Low | 85 Ų | 85 | 75 Ų | 75 | 44% | 0.436 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.2 | 174.5 | -62 | 172.5 | 0 | 0 | 0 | 107.2 | R215 L216 | I211-R215 WeakPolarHBondContact CA-O 3.31Å; I211-L216 HydrophobicContact CD1-CD1 4.01Å; I211-L216 HydrophobicContact CG1-CD1 3.47Å; I211-L216 VanDerWaalsContact CG1-CD1 3.47Å |
| 212 | S | 69.2 | Low | 65 | Low | 58 Ų | 58 | 72.4 Ų | 72.4 | 41% | 0.406 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 113.6 | 171.1 | -177.8 | 0 | 0 | 0 | 0 | 109 | N214 R215 | S212-N214 PolarHBondContact O-N 2.96Å; S212-R215 PolarHBondContact N-O 3.07Å; S212-R215 WeakPolarHBondContact O-CB 3.19Å; S212-R215 PolarHBondContact O-N 3.27Å |
| 213 | G | 73.3 | Confident | 64.4 | Low | 70 Ų | 70 | 72.6 Ų | 72.6 | 72% | 0.722 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | -124.4 | -172 | 0 | 0 | 0 | 0 | 0 | 111.9 | R215 | G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.44Å |
| 214 | N | 76.6 | Confident | 64.1 | Low | 76 Ų | 76 | 74.1 Ų | 74.1 | 41% | 0.406 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 17.8 | 176.8 | 60.5 | 6 | 0 | 0 | 0 | 113.5 | G12 L13 S14 S15 S212 | G12-N214 WeakPolarHBondContact O-CB 3.44Å; L13-N214 CarbonylContact C-O 3.53Å; L13-N214 WeakPolarHBondContact CA-O 3.13Å; S14-N214 WeakPolarHBondContact CB-ND2 3.49Å; S14-N214 PolarHBondContact N-O 3.39Å; S14-N214 PolarHBondContact OG-ND2 3Å; S14-N214 VanDerWaalsContact OG-ND2 3.12Å; S14-N214 PolarHBondContact OG-O 3.17Å; S14-N214 PolarHBondContact OG-OD1 2.95Å; S14-N214 VanDerWaalsContact OG-OD1 3.13Å; S15-N214 PolarHBondContact N-O 3.28Å; S212-N214 PolarHBondContact O-N 2.96Å |
| 215 | R | 77.9 | Confident | 63.7 | Low | 107 Ų | 107 | 71.7 Ų | 71.7 | 40% | 0.404 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.8 | -174.5 | -51.8 | -174.3 | 169.8 | -179.2 | 0.8 | 110.7 | S15 F17 I211 S212 G213 F217 | S15-R215 WeakPolarHBondContact O-CA 2.96Å; S15-R215 WeakPolarHBondContact OG-CG 3.4Å; F17-R215 HydrophobicContact CD2-CB 4.19Å; F17-R215 HydrophobicContact CE2-CB 3.98Å; F17-R215 HydrophobicContact CE2-CG 4.02Å; I211-R215 WeakPolarHBondContact CA-O 3.31Å; S212-R215 PolarHBondContact N-O 3.07Å; S212-R215 WeakPolarHBondContact O-CB 3.19Å; S212-R215 PolarHBondContact O-N 3.27Å; G213-R215 VanDerWaalsContact C-N 3.29Å; G213-R215 PolarHBondContact O-N 3.44Å; R215-F217 HydrophobicContact CB-CD2 4.47Å; R215-F217 HydrophobicContact CB-CE2 3.59Å; R215-F217 HydrophobicContact CB-CZ 3.87Å |
| 216 | L | 79 | Confident | 63 | Low | 5 Ų | 5 | 70.7 Ų | 70.7 | 3% | 0.026 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.7 | 173 | -175 | 70.9 | 0 | 0 | 0 | 109.5 | L13 S15 I16 F17 V209 I211 L218 | L13-L216 HydrophobicContact CD1-CB 4.13Å; L13-L216 HydrophobicContact CD1-CD2 4.25Å; L13-L216 HydrophobicContact CD2-CB 4.09Å; S15-L216 PolarHBondContact O-N 3.01Å; I16-L216 CarbonylContact C-O 3.52Å; I16-L216 VanDerWaalsContact CA-O 3.28Å; I16-L216 WeakPolarHBondContact CA-O 3.44Å; I16-L216 HydrophobicContact CB-CB 4.47Å; I16-L216 HydrophobicContact CD1-CD2 4.18Å; I16-L216 HydrophobicContact CG1-CB 4.13Å; I16-L216 HydrophobicContact CG1-CD2 4.31Å; I16-L216 HydrophobicContact CG2-CB 4.24Å; I16-L216 HydrophobicContact CG2-CD2 4.11Å; I16-L216 HydrophobicContact CG2-CG 4.38Å; F17-L216 PolarHBondContact N-O 3.02Å; V209-L216 HydrophobicContact CG1-CD1 3.32Å; V209-L216 HydrophobicContact CG1-CG 4.06Å; I211-L216 HydrophobicContact CD1-CD1 4.01Å; I211-L216 HydrophobicContact CG1-CD1 3.47Å; I211-L216 VanDerWaalsContact CG1-CD1 3.47Å; L216-L218 HydrophobicContact CD2-CD2 4.34Å |
| 217 | F | 76.7 | Confident | 62.1 | Low | 11 Ų | 11 | 68.4 Ų | 68.4 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.6 | 177.4 | -60.2 | -95.4 | 0 | 0 | 0 | 109.3 | F17 L27 M187 V209 A210 R215 | F17-F217 HydrophobicContact CB-CD1 3.62Å; F17-F217 HydrophobicContact CB-CE1 3.91Å; F17-F217 HydrophobicContact CB-CG 4.41Å; F17-F217 HydrophobicContact CD2-CD1 4.24Å; F17-F217 AromaticContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CE1 3.82Å; F17-F217 HydrophobicContact CD2-CZ 4.09Å; F17-F217 HydrophobicContact CG-CD1 4.15Å; F17-F217 AromaticContact CG-CE1 3.91Å; F17-F217 HydrophobicContact CG-CE1 3.91Å; F17-F217 CarbonylContact O-C 3.46Å; F17-F217 WeakPolarHBondContact O-CA 3.45Å; L27-F217 HydrophobicContact CD1-CD1 3.61Å; L27-F217 HydrophobicContact CD1-CE1 3.75Å; L27-F217 HydrophobicContact CD1-CG 4.39Å; L27-F217 HydrophobicContact CD2-CE1 4Å; M187-F217 HydrophobicContact SD-CD1 4.37Å; M187-F217 HydrophobicContact SD-CE1 3.96Å; V209-F217 CarbonylContact C-O 3.57Å; V209-F217 WeakPolarHBondContact CA-O 3.32Å; A210-F217 HydrophobicContact CB-CB 4.29Å; A210-F217 PolarHBondContact N-O 3.01Å; A210-F217 PolarHBondContact O-N 3.38Å; R215-F217 HydrophobicContact CB-CD2 4.47Å; R215-F217 HydrophobicContact CB-CE2 3.59Å; R215-F217 HydrophobicContact CB-CZ 3.87Å |
| 218 | L | 77 | Confident | 60.8 | Low | 14 Ų | 14 | 69.9 Ų | 69.9 | 7% | 0.073 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113 | 170 | -55.4 | 177.4 | 0 | 0 | 0 | 107.7 | I16 F17 V18 A19 I190 L197 L199 L207 V209 L216 | I16-L218 HydrophobicContact CG2-CD1 4.29Å; I16-L218 HydrophobicContact CG2-CG 4.27Å; F17-L218 PolarHBondContact O-N 3.31Å; V18-L218 WeakPolarHBondContact CA-O 3.29Å; V18-L218 HydrophobicContact CG2-CB 4.43Å; V18-L218 HydrophobicContact CG2-CD1 4.43Å; A19-L218 PolarHBondContact N-O 3.17Å; I190-L218 HydrophobicContact CD1-CD1 3.71Å; L197-L218 HydrophobicContact CD1-CD1 3.87Å; L197-L218 HydrophobicContact CD2-CD1 3.64Å; L197-L218 HydrophobicContact CD2-CD2 4.19Å; L197-L218 HydrophobicContact CD2-CG 4.44Å; L197-L218 HydrophobicContact CG-CD1 4.39Å; L199-L218 HydrophobicContact CD2-CD2 4.2Å; L207-L218 HydrophobicContact CD2-CD2 4.32Å; V209-L218 HydrophobicContact CG1-CD2 4.22Å; V209-L218 HydrophobicContact CG2-CD2 3.91Å; L216-L218 HydrophobicContact CD2-CD2 4.34Å |
| 219 | V | 70.4 | Confident | 59.5 | Low | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.006 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.5 | -176.8 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | A19 L21 V24 T208 G221 | A19-V219 WeakPolarHBondContact O-CA 3.48Å; L21-V219 HydrophobicContact CB-CG1 4.15Å; L21-V219 HydrophobicContact CD1-CG1 3.62Å; V24-V219 HydrophobicContact CG2-CB 4.05Å; V24-V219 HydrophobicContact CG2-CG1 3.48Å; V24-V219 VanDerWaalsContact CG2-CG1 3.48Å; V24-V219 HydrophobicContact CG2-CG2 3.38Å; T208-V219 HydrophobicContact CG2-CB 3.98Å; T208-V219 HydrophobicContact CG2-CG1 4.36Å; T208-V219 HydrophobicContact CG2-CG2 4.25Å; T208-V219 WeakPolarHBondContact O-CA 3.45Å; T208-V219 WeakPolarHBondContact O-CB 3.05Å; T208-V219 PolarHBondContact O-N 2.74Å; V219-G221 VanDerWaalsContact C-N 3.32Å; V219-G221 PolarHBondContact O-N 2.95Å |
| 220 | S | 63.1 | Low | 57.8 | Low | 57 Ų | 57 | 75.6 Ų | 75.6 | 40% | 0.399 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 90.9 | 173.1 | 66.2 | 0 | 0 | 0 | 0 | 109 | A19 | A19-S220 PolarHBondContact O-N 3.26Å; A19-S220 VanDerWaalsContact O-N 3.12Å |
| 221 | G | 53.3 | Low | 56.4 | Low | 28 Ų | 28 | 79.9 Ų | 79.9 | 29% | 0.289 | 48% | 0.476 | S | S | . | . | | | trans | -66.2 | 138.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | V219 | V219-G221 VanDerWaalsContact C-N 3.32Å; V219-G221 PolarHBondContact O-N 2.95Å |
| 222 | Q | 50.4 | Low | 54.8 | Low | 169 Ų | 169 | 83.9 Ų | 83.9 | 79% | 0.79 | 49% | 0.493 | S | S | * | . | | | trans | -57.9 | 137.6 | 159.4 | -78.5 | -153.3 | -3.7 | 0 | 0 | 108 | T224 | Q222-T224 PolarHBondContact O-N 2.74Š|
| 223 | P | 42.4 | Very low | 53.3 | Low | 84 Ų | 84 | 90.3 Ų | 90.3 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | | | trans | -61.6 | 107.2 | 172.8 | 24.8 | -30.6 | 0 | 0 | 0 | 108.1 | F225 | P223-F225 HydrophobicContact CB-CD2 3.62Å; P223-F225 HydrophobicContact CB-CE2 3.63Å; P223-F225 PolarHBondContact O-N 3.45Å |
| 224 | T | 41.8 | Very low | 51.4 | Low | 120 Ų | 120 | 93.4 Ų | 93.4 | 74% | 0.736 | 51% | 0.514 | S | S | * | . | | | trans | -72.4 | 64.3 | 167.9 | 33.7 | 0 | 0 | 0 | 0 | 109.1 | Q222 S226 | Q222-T224 PolarHBondContact O-N 2.74Å; T224-S226 PolarHBondContact O-N 3.41Å |
| 225 | F | 42.9 | Very low | 49.4 | Very low | 83 Ų | 83 | 95.6 Ų | 95.6 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | | | trans | -86.8 | 90.9 | 157.7 | -63.1 | -57.4 | 0 | 0 | 0 | 107.2 | K204 K205 P223 D227 | K204-F225 HydrophobicContact CB-CE1 3.56Å; K204-F225 HydrophobicContact CB-CZ 3.59Å; K204-F225 HydrophobicContact CD-CE1 4.31Å; K204-F225 HydrophobicContact CG-CE1 4.32Å; K204-F225 WeakPolarHBondContact O-CE1 3.15Å; K204-F225 WeakPolarHBondContact O-CZ 3.06Å; K205-F225 HydrophobicContact CG-CE2 3.98Å; K205-F225 HydrophobicContact CG-CZ 3.82Å; P223-F225 HydrophobicContact CB-CD2 3.62Å; P223-F225 HydrophobicContact CB-CE2 3.63Å; P223-F225 PolarHBondContact O-N 3.45Å; F225-D227 HydrophobicContact CB-CB 4.48Å; F225-D227 PolarHBondContact O-N 3.36Å |
| 226 | S | 37.2 | Very low | 47.3 | Very low | 101 Ų | 101 | 94.4 Ų | 94.4 | 71% | 0.706 | 54% | 0.543 | S | S | * | . | | | trans | -70 | 56.3 | 150.9 | -46.1 | 0 | 0 | 0 | 0 | 108.8 | T224 T228 | T224-S226 PolarHBondContact O-N 3.41Å; S226-T228 PolarHBondContact O-N 3.28Å; S226-T228 VanDerWaalsContact O-N 3.08Å |
| 227 | D | 39.3 | Very low | 45.3 | Very low | 120 Ų | 120 | 103.1 Ų | 103.1 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | | | trans | -80 | 48 | 157.7 | -78 | -17.1 | 0 | 0 | 0 | 107.5 | F225 L229 | F225-D227 HydrophobicContact CB-CB 4.48Å; F225-D227 PolarHBondContact O-N 3.36Å; D227-L229 PolarHBondContact O-N 3.36Å |
| 228 | T | 36.2 | Very low | 43.2 | Very low | 125 Ų | 125 | 109.1 Ų | 109.1 | 77% | 0.767 | 63% | 0.625 | S | S | * | * | | | trans | -69.5 | 79.3 | 145.4 | -11.2 | 0 | 0 | 0 | 0 | 104.5 | S226 | S226-T228 PolarHBondContact O-N 3.28Å; S226-T228 VanDerWaalsContact O-N 3.08Å |
| 229 | L | 37.8 | Very low | 41.4 | Very low | 140 Ų | 140 | 113.3 Ų | 113.3 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | | | trans | -41.1 | 130.6 | 146.9 | -83 | 159.9 | 0 | 0 | 0 | 105.1 | D227 S231 | D227-L229 PolarHBondContact O-N 3.36Å; L229-S231 PolarHBondContact O-N 3.17Å |
| 230 | P | 34.9 | Very low | 40 | Very low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | | | trans | -55.4 | 106.2 | 163.2 | 24.6 | -29.1 | 0 | 0 | 0 | 104 | Q232 | P230-Q232 PolarHBondContact O-N 2.75Š|
| 231 | S | 34.4 | Very low | 38.6 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | -48.6 | 104.9 | 160.6 | 170.7 | 0 | 0 | 0 | 0 | 102.2 | L229 K233 | L229-S231 PolarHBondContact O-N 3.17Å; S231-K233 PolarHBondContact O-N 3.04Å |
| 232 | Q | 36.2 | Very low | 37.9 | Very low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | | | trans | -49 | 109.3 | 165.5 | -89.2 | -179.1 | -84.5 | 0 | 0 | 102.6 | P230 D234 | P230-Q232 PolarHBondContact O-N 2.75Å; Q232-D234 PolarHBondContact O-N 2.88Å |
| 233 | K | 37.5 | Very low | 37.2 | Very low | 194 Ų | 194 | 124.3 Ų | 124.3 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | | | trans | -59.7 | 100.8 | 168.1 | -168.2 | 176.5 | -173.2 | 179 | 0 | 101.7 | S231 S235 | S231-K233 PolarHBondContact O-N 3.04Å; K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 3.38Å |
| 234 | D | 34.4 | Very low | 37.3 | Very low | 134 Ų | 134 | 129.5 Ų | 129.5 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | | | trans | -51 | 104 | 179.3 | -80.2 | -40.3 | 0 | 0 | 0 | 106.3 | Q232 S236 | Q232-D234 PolarHBondContact O-N 2.88Å; D234-S236 PolarHBondContact O-N 2.98Å |
| 235 | S | 34.6 | Very low | 36.9 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | trans | -74 | 75.8 | 175.7 | 56 | 0 | 0 | 0 | 0 | 106 | K233 | K233-S235 VanDerWaalsContact C-N 3.28Å; K233-S235 PolarHBondContact O-N 3.38Å |
| 236 | S | 33.8 | Very low | 37 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 57% | 0.566 | 77% | 0.771 | S | S | * | * | | | trans | -155.4 | 61.6 | 175.3 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | D234 | D234-S236 PolarHBondContact O-N 2.98Š|
| 237 | H | 36.3 | Very low | 37.2 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 88% | 0.875 | 77% | 0.774 | S | S | * | * | | | trans | -124 | 72.8 | 147.3 | -73.8 | -56.5 | 0 | 0 | 0 | 108.8 | S239 | H237-S239 PolarHBondContact O-N 2.98Š|
| 238 | C | 32.9 | Very low | 37.5 | Very low | 136 Ų | 136 | 135.8 Ų | 135.8 | 92% | 0.919 | 79% | 0.785 | S | S | * | * | | | trans | -72.8 | 101.3 | 152 | -92.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 239 | S | 40 | Very low | 37.9 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | 179.5 | 130.3 | 150.5 | 54.2 | 0 | 0 | 0 | 0 | 105.7 | H237 | H237-S239 PolarHBondContact O-N 2.98Š|
| 240 | S | 39.7 | Very low | 38.4 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | -172.4 | 137.1 | -1.4 | 44 | 0 | 0 | 0 | 0 | 102.6 | | |
| 241 | C | 34.3 | Very low | 38.7 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | 6.9 | 123.4 | 151.7 | 43.6 | 0 | 0 | 0 | 0 | 117.3 | | |
| 242 | L | 39.2 | Very low | 39.1 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | | 172.9 | 104.9 | 111.3 | -87.7 | 157.5 | 0 | 0 | 0 | 110.2 | K244 | L242-K244 PolarHBondContact O-N 3.11Š|
| 243 | S | 35.4 | Very low | 39.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | -57.1 | 127.2 | 159.4 | -43.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 244 | K | 44.2 | Very low | 39.5 | Very low | 194 Ų | 194 | 134 Ų | 134 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | -140 | 108.9 | 151.8 | -80 | -165.4 | 173.2 | -178.5 | 0 | 109.6 | L242 | L242-K244 PolarHBondContact O-N 3.11Š|
| 245 | S | 34.8 | Very low | 39.5 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -73.1 | 137.7 | 161 | 57.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 246 | T | 44 | Very low | 39.6 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | trans | -164.1 | 96.4 | 157.1 | 24.2 | 0 | 0 | 0 | 0 | 102.5 | | |
| 247 | D | 41.7 | Very low | 39.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | | | | 48.6 | 90.9 | 82.4 | -152.1 | 19.6 | 0 | 0 | 0 | 110.6 | | |
| 248 | D | 44.9 | Very low | 39.8 | Very low | 163 Ų | 163 | 135 Ų | 135 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | | | trans | -160 | 99 | 150.5 | -111.7 | -23.2 | 0 | 0 | 0 | 107.6 | | |
| 249 | E | 44.7 | Very low | 39.7 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | trans | -61.2 | 129.6 | 160.4 | -65.3 | -146.6 | 128 | 0 | 0 | 109.1 | | |
| 250 | N | 47.8 | Very low | 39.4 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | -179.5 | 120.8 | 130.7 | -95.4 | -33.1 | 0 | 0 | 0 | 112.8 | | |
| 251 | N | 42.8 | Very low | 39.1 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 80% | 0.795 | S | S | * | * | | | | 86.1 | 104.8 | 128.7 | -74.5 | -36.2 | 0 | 0 | 0 | 121.6 | | |
| 252 | I | 42.9 | Very low | 39.3 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | 103.1 | 110.5 | 130.5 | -56.9 | 155.8 | 0 | 0 | 0 | 116.6 | | |
| 253 | P | 37.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 133.8 Ų | 133.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -99.1 | 123 | 166 | 35.3 | -24.3 | 0 | 0 | 0 | 110.5 | | |
| 254 | S | 42.5 | Very low | 39.5 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | | | trans | -173.1 | 142.6 | 155.4 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 255 | G | 35.9 | Very low | 39.4 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | trans | 128.3 | 76.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 256 | H | 35.7 | Very low | 39.6 | Very low | 178 Ų | 178 | 139 Ų | 139 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -14.1 | 131.4 | 145.3 | -124.3 | -88.3 | 0 | 0 | 0 | 116.1 | | |
| 257 | C | 36.5 | Very low | 39.4 | Very low | 124 Ų | 124 | 142 Ų | 142 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -172.5 | 102 | 138.8 | -101.6 | 0 | 0 | 0 | 0 | 112 | | |
| 258 | E | 37.4 | Very low | 39.3 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | 29.1 | 115.4 | 138.2 | -65.2 | 179.6 | 157.8 | 0 | 0 | 121.6 | | |
| 259 | A | 32.4 | Very low | 38.8 | Very low | 103 Ų | 103 | 139 Ų | 139 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | | 42 | 103.4 | 124.2 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 260 | S | 33.4 | Very low | 38.4 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -144.7 | 110.3 | 142 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 261 | S | 33.7 | Very low | 37.9 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | 36 | 101.3 | 140.6 | 49.8 | 0 | 0 | 0 | 0 | 118.7 | | |
| 262 | T | 37.8 | Very low | 37.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | | | trans | -114.4 | 130.9 | 151.6 | 45.2 | 0 | 0 | 0 | 0 | 108.8 | I264 | T262-I264 PolarHBondContact O-N 3.22Š|
| 263 | P | 41.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -68.8 | 126.2 | 179 | 27.4 | -30.7 | 0 | 0 | 0 | 109.1 | R265 | P263-R265 PolarHBondContact O-N 3.17Å; P263-R265 VanDerWaalsContact O-N 3.08Å |
| 264 | I | 38.3 | Very low | 37.4 | Very low | 157 Ų | 157 | 138.5 Ų | 138.5 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -59.1 | 109.7 | 177.6 | -66 | 166 | 0 | 0 | 0 | 107.7 | T262 D266 | T262-I264 PolarHBondContact O-N 3.22Å; I264-D266 PolarHBondContact O-N 3.18Å |
| 265 | R | 41.8 | Very low | 37.4 | Very low | 234 Ų | 234 | 138.1 Ų | 138.1 | 88% | 0.883 | 79% | 0.785 | S | S | * | * | | | trans | -58.5 | 119 | 162.2 | -98.3 | -179.2 | 170.9 | 161.5 | -2.5 | 107.6 | P263 K267 | P263-R265 PolarHBondContact O-N 3.17Å; P263-R265 VanDerWaalsContact O-N 3.08Å; R265-K267 PolarHBondContact O-N 3Å |
| 266 | D | 38.9 | Very low | 37.9 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -50.1 | 104.4 | 167.2 | -73.1 | -41.2 | 0 | 0 | 0 | 110 | I264 V268 | I264-D266 PolarHBondContact O-N 3.18Å; D266-V268 PolarHBondContact O-N 2.74Å |
| 267 | K | 38.3 | Very low | 38.1 | Very low | 194 Ų | 194 | 138.3 Ų | 138.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | trans | -71 | 84.7 | 162.8 | -103.3 | -177.9 | 172 | -173.4 | 0 | 106.6 | R265 T269 | R265-K267 PolarHBondContact O-N 3Å; K267-T269 VanDerWaalsContact C-N 3.25Å; K267-T269 PolarHBondContact O-N 3.35Å |
| 268 | V | 39.9 | Very low | 38.6 | Very low | 130 Ų | 130 | 138 Ų | 138 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | | | trans | -62.3 | 97.7 | 159.3 | 178.8 | 0 | 0 | 0 | 0 | 106.1 | D266 S270 | D266-V268 PolarHBondContact O-N 2.74Å; V268-S270 PolarHBondContact O-N 3.32Å |
| 269 | T | 34.7 | Very low | 39.2 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 104.2 | 173.9 | -55.5 | 0 | 0 | 0 | 0 | 105.8 | K267 I271 | K267-T269 VanDerWaalsContact C-N 3.25Å; K267-T269 PolarHBondContact O-N 3.35Å; T269-I271 PolarHBondContact O-N 3.24Å |
| 270 | S | 35.6 | Very low | 40 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -53.9 | 111.5 | 171.3 | 48.9 | 0 | 0 | 0 | 0 | 108 | V268 S272 | V268-S270 PolarHBondContact O-N 3.32Å; S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 2.85Å |
| 271 | I | 38.3 | Very low | 40.8 | Very low | 137 Ų | 137 | 138.4 Ų | 138.4 | 70% | 0.703 | 78% | 0.778 | S | S | * | * | | | trans | -59.6 | 101.5 | 167.4 | -52.8 | 171.1 | 0 | 0 | 0 | 104.7 | T269 F273 | T269-I271 PolarHBondContact O-N 3.24Å; I271-F273 VanDerWaalsContact C-N 3.26Å; I271-F273 WeakPolarHBondContact O-CD2 3.46Å; I271-F273 PolarHBondContact O-N 3.19Å |
| 272 | S | 36.1 | Very low | 42.2 | Very low | 90 Ų | 90 | 143 Ų | 143 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | | | trans | -61.7 | 96.6 | 170.9 | 137.3 | 0 | 0 | 0 | 0 | 105.6 | S270 Q274 | S270-S272 VanDerWaalsContact C-N 3.27Å; S270-S272 PolarHBondContact O-N 2.85Å; S272-Q274 PolarHBondContact O-N 2.95Å |
| 273 | F | 37.3 | Very low | 42.9 | Very low | 185 Ų | 185 | 146.4 Ų | 146.4 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -62.8 | 90.2 | 160.8 | -74.4 | -83.6 | 0 | 0 | 0 | 106.1 | I271 S275 | I271-F273 VanDerWaalsContact C-N 3.26Å; I271-F273 WeakPolarHBondContact O-CD2 3.46Å; I271-F273 PolarHBondContact O-N 3.19Å; F273-S275 VanDerWaalsContact C-N 3.3Å; F273-S275 PolarHBondContact O-N 2.95Å |
| 274 | Q | 40 | Very low | 43.7 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -57.4 | 105.5 | 161 | -82.3 | -173.9 | -11.5 | 0 | 0 | 105.2 | S272 S276 | S272-Q274 PolarHBondContact O-N 2.95Å; Q274-S276 VanDerWaalsContact C-N 3.26Å; Q274-S276 PolarHBondContact O-N 3.28Å |
| 275 | S | 41.7 | Very low | 44.6 | Very low | 111 Ų | 111 | 155.4 Ų | 155.4 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -54.9 | 96.3 | 169.7 | 56.5 | 0 | 0 | 0 | 0 | 107 | F273 N277 | F273-S275 VanDerWaalsContact C-N 3.3Å; F273-S275 PolarHBondContact O-N 2.95Å; S275-N277 PolarHBondContact O-N 3.15Å; S275-N277 VanDerWaalsContact O-N 3.1Å |
| 276 | S | 46.4 | Very low | 45.5 | Very low | 94 Ų | 94 | 154.6 Ų | 154.6 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | -62 | 119.7 | 170.2 | 54 | 0 | 0 | 0 | 0 | 105.5 | Q274 V278 | Q274-S276 VanDerWaalsContact C-N 3.26Å; Q274-S276 PolarHBondContact O-N 3.28Å; S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CG2 3.33Å |
| 277 | N | 40.3 | Very low | 46.2 | Very low | 163 Ų | 163 | 158.4 Ų | 158.4 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -71.8 | 66.7 | 180 | -132.7 | -31 | 0 | 0 | 0 | 107.5 | S275 K279 | S275-N277 PolarHBondContact O-N 3.15Å; S275-N277 VanDerWaalsContact O-N 3.1Å; N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.94Å |
| 278 | V | 46.7 | Very low | 46.9 | Very low | 118 Ų | 118 | 158 Ų | 158 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 94.6 | 179.2 | -173.5 | 0 | 0 | 0 | 0 | 106.4 | S276 A280 | S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CG2 3.33Å; V278-A280 PolarHBondContact O-N 2.99Å |
| 279 | K | 51.1 | Low | 47.4 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -48.6 | 114.4 | 166.4 | -91.5 | 176.8 | 173.9 | 170 | 0 | 107.9 | N277 A281 | N277-K279 VanDerWaalsContact C-N 3.33Å; N277-K279 PolarHBondContact O-N 2.94Å; K279-A281 PolarHBondContact O-N 3.03Å |
| 280 | A | 48.4 | Very low | 47.7 | Very low | 97 Ų | 97 | 162.8 Ų | 162.8 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -52 | 123.3 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | V278 K282 | V278-A280 PolarHBondContact O-N 2.99Å; A280-K282 PolarHBondContact O-N 2.97Å |
| 281 | A | 50.5 | Low | 48.1 | Very low | 97 Ų | 97 | 166 Ų | 166 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | -61 | 125.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | K279 R283 | K279-A281 PolarHBondContact O-N 3.03Å; A281-R283 PolarHBondContact O-N 3.35Å |
| 282 | K | 62.1 | Low | 48.1 | Very low | 213 Ų | 213 | 166 Ų | 166 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | trans | -67.6 | 100.3 | 179.2 | -166.7 | 174.4 | -176 | 177.3 | 0 | 109.7 | A280 | A280-K282 PolarHBondContact O-N 2.97Š|
| 283 | R | 53 | Low | 48.2 | Very low | 198 Ų | 198 | 167.5 Ų | 167.5 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | | | trans | -71.8 | 127 | -177.6 | -145.4 | 169.2 | 172.1 | 177.6 | -5.2 | 110.6 | A281 R285 N331 | A281-R283 PolarHBondContact O-N 3.35Å; R283-R285 PolarHBondContact O-N 3.05Å; R283-N331 PolarHBondContact NH1-OD1 3.46Å |
| 284 | R | 57.7 | Low | 48.4 | Very low | 226 Ų | 226 | 164.1 Ų | 164.1 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -75 | 113.1 | 178 | -176.2 | 176 | 171.2 | 170 | -2.7 | 109.5 | R286 | R284-R286 PolarHBondContact O-N 2.85Š|
| 285 | R | 58.4 | Low | 48.2 | Very low | 245 Ų | 245 | 163.7 Ų | 163.7 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | | | trans | -65 | 114.1 | 169.1 | -76.1 | -178.1 | 169.5 | 179.3 | -4.7 | 109.2 | R283 | R283-R285 PolarHBondContact O-N 3.05Š|
| 286 | R | 60.5 | Low | 48 | Very low | 218 Ų | 218 | 163.8 Ų | 163.8 | 82% | 0.823 | 82% | 0.82 | S | S | * | * | | | trans | -84.3 | 123.8 | 164.9 | -76.2 | -171.8 | 169.4 | -168.5 | -2.4 | 107.8 | R284 | R284-R286 PolarHBondContact O-N 2.85Š|
| 287 | R | 54 | Low | 47.6 | Very low | 228 Ų | 228 | 164.9 Ų | 164.9 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -74.6 | 119.9 | 169 | -67.4 | 177.8 | 178.3 | 168.7 | -2.2 | 107 | H289 | R287-H289 PolarHBondContact O-N 2.68Š|
| 288 | H | 52.1 | Low | 47.4 | Very low | 184 Ų | 184 | 164.5 Ų | 164.5 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | | | trans | -70.7 | 110.9 | 166.8 | -88.4 | -90.8 | 0 | 0 | 0 | 107.7 | | |
| 289 | H | 51.1 | Low | 46.9 | Very low | 171 Ų | 171 | 163.6 Ų | 163.6 | 79% | 0.792 | 83% | 0.825 | S | S | * | * | | | trans | -75.3 | 122.2 | 158.9 | -84.2 | -77.2 | 0 | 0 | 0 | 107.2 | R287 L291 | R287-H289 PolarHBondContact O-N 2.68Å; H289-L291 PolarHBondContact O-N 3.35Å |
| 290 | Q | 40.6 | Very low | 46.1 | Very low | 178 Ų | 178 | 164.3 Ų | 164.3 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | | | trans | -56.3 | 116.9 | 167.1 | -152.6 | 170.9 | 19.1 | 0 | 0 | 107 | | |
| 291 | L | 43.4 | Very low | 45.7 | Very low | 168 Ų | 168 | 164.9 Ų | 164.9 | 88% | 0.88 | 83% | 0.825 | S | S | * | * | | | trans | -90.5 | 115.3 | 170 | -148.6 | 90 | 0 | 0 | 0 | 106.8 | H289 | H289-L291 PolarHBondContact O-N 3.35Š|
| 292 | D | 39.8 | Very low | 44.8 | Very low | 136 Ų | 136 | 167 Ų | 167 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -58.6 | 147.8 | 176.9 | -74.6 | -49 | 0 | 0 | 0 | 112.2 | | |
| 293 | S | 37.8 | Very low | 43.6 | Very low | 123 Ų | 123 | 165.1 Ų | 165.1 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | -65.6 | 129.3 | 179.7 | -40.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 294 | S | 41.2 | Very low | 42.7 | Very low | 114 Ų | 114 | 161.3 Ų | 161.3 | 80% | 0.797 | 82% | 0.82 | S | S | * | * | | | trans | -153.8 | 109.5 | 156.1 | 60.2 | 0 | 0 | 0 | 0 | 112 | | |
| 295 | N | 35 | Very low | 41.6 | Very low | 162 Ų | 162 | 157.2 Ų | 157.2 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | 1.5 | 126 | 155 | -65.9 | -20.4 | 0 | 0 | 0 | 119.9 | | |
| 296 | S | 37.5 | Very low | 40.4 | Very low | 114 Ų | 114 | 157.2 Ų | 157.2 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -150.1 | 90 | 141.1 | 59.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 297 | V | 39.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 71% | 0.709 | 82% | 0.817 | S | S | * | * | | | | 52.5 | 103.8 | 97.4 | -174.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 298 | N | 35.9 | Very low | 38.2 | Very low | 155 Ų | 155 | 151.7 Ų | 151.7 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | trans | 51.7 | 107.9 | 145.4 | -60.3 | -13.3 | 0 | 0 | 0 | 121 | | |
| 299 | A | 35.3 | Very low | 37.2 | Very low | 99 Ų | 99 | 149.5 Ų | 149.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -161.5 | 102.5 | 130.8 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 300 | F | 34.6 | Very low | 36.3 | Very low | 207 Ų | 207 | 149.7 Ų | 149.7 | 91% | 0.908 | 81% | 0.808 | S | S | * | * | | | trans | -121.1 | 144.3 | 152.3 | -88.3 | -74.3 | 0 | 0 | 0 | 105 | | |
| 301 | P | 39.4 | Very low | 36 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | | | | -152.8 | 166 | 77.4 | 36.9 | -15.8 | 0 | 0 | 0 | 117.1 | | |
| 302 | N | 32.1 | Very low | 35.4 | Very low | 141 Ų | 141 | 145.8 Ų | 145.8 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | | | trans | 61.4 | 103.6 | 151.4 | -79.1 | -27.3 | 0 | 0 | 0 | 120.1 | | |
| 303 | L | 37.3 | Very low | 35 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | | | trans | -139.4 | 86.3 | 145.2 | -97.8 | 156.8 | 0 | 0 | 0 | 108 | | |
| 304 | T | 33.1 | Very low | 34.8 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | trans | -97.8 | 147.8 | 152.2 | -32.5 | 0 | 0 | 0 | 0 | 105.1 | | |
| 305 | D | 34.3 | Very low | 34.2 | Very low | 141 Ų | 141 | 148.8 Ų | 148.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | 88.3 | 86.3 | -175.7 | -60.2 | -19.1 | 0 | 0 | 0 | 116.9 | | |
| 306 | R | 34.8 | Very low | 33.9 | Very low | 244 Ų | 244 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | | 176.4 | 90.9 | 123 | -99.6 | 176.6 | 166.2 | -175.6 | -4.8 | 110.8 | | |
| 307 | I | 33.2 | Very low | 33.6 | Very low | 169 Ų | 169 | 152.7 Ų | 152.7 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -75.7 | 106.4 | 149.3 | -64.2 | 167.8 | 0 | 0 | 0 | 104.6 | | |
| 308 | E | 34.8 | Very low | 33.2 | Very low | 162 Ų | 162 | 152.4 Ų | 152.4 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | | | trans | 175.1 | 121.6 | 152.1 | -102.4 | 167.4 | 179.6 | 0 | 0 | 111.3 | | |
| 309 | N | 30.4 | Very low | 32.9 | Very low | 137 Ų | 137 | 153.4 Ų | 153.4 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | 50.9 | 90 | 142.7 | -62.3 | -19.9 | 0 | 0 | 0 | 119.3 | | |
| 310 | H | 31.9 | Very low | 32.6 | Very low | 175 Ų | 175 | 152.1 Ų | 152.1 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -158.8 | 79.2 | 145.6 | -76 | -56.9 | 0 | 0 | 0 | 110.9 | | |
| 311 | I | 35.6 | Very low | 32.2 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 92% | 0.923 | 79% | 0.789 | S | S | * | * | | | trans | -128.1 | 67.9 | 152.7 | -51.2 | 175.5 | 0 | 0 | 0 | 106.5 | | |
| 312 | S | 30.6 | Very low | 31.6 | Very low | 84 Ų | 84 | 148.6 Ų | 148.6 | 59% | 0.587 | 79% | 0.79 | S | S | * | * | | | trans | -127.1 | 131.9 | 161.9 | 44.3 | 0 | 0 | 0 | 0 | 103.8 | | |
| 313 | D | 30.3 | Very low | 31.5 | Very low | 143 Ų | 143 | 148.7 Ų | 148.7 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | 107.5 | 61.4 | -174.3 | -54.5 | -12.3 | 0 | 0 | 0 | 114.6 | | |
| 314 | I | 33.4 | Very low | 31.1 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -130.4 | 77.5 | 138.4 | -53.8 | -179.8 | 0 | 0 | 0 | 106.6 | | |
| 315 | D | 28.4 | Very low | 30.8 | Very low | 129 Ų | 129 | 143.1 Ų | 143.1 | 69% | 0.69 | 79% | 0.787 | S | S | * | * | | | trans | -71.9 | 147.9 | 162.7 | -81.3 | -38.5 | 0 | 0 | 0 | 110.1 | | |
| 316 | F | 28.9 | Very low | 30.7 | Very low | 189 Ų | 189 | 142.7 Ų | 142.7 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | 74 | 96.4 | 170.7 | -62.6 | -84.2 | 0 | 0 | 0 | 118 | | |
| 317 | L | 32.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 78% | 0.779 | S | S | * | * | | | trans | -110.4 | 128.5 | 140.7 | -85.6 | 166.7 | 0 | 0 | 0 | 108.3 | | |
| 318 | P | 31.2 | Very low | 30.3 | Very low | 110 Ų | 110 | 138.3 Ų | 138.3 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | | | trans | -75.4 | 139.2 | -169.5 | 30.2 | -32.8 | 0 | 0 | 0 | 111.6 | A320 | P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.88Å |
| 319 | D | 28.5 | Very low | 30 | Very low | 177 Ų | 177 | 135.9 Ų | 135.9 | 95% | 0.947 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -64.6 | 81.9 | 167.5 | -163.8 | 21 | 0 | 0 | 0 | 109.4 | | |
| 320 | A | 29.4 | Very low | 30.3 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 60% | 0.595 | 76% | 0.76 | S | S | * | * | | | trans | -160.6 | 107.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P318 V322 | P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.88Å; A320-V322 PolarHBondContact O-N 2.91Å |
| 321 | S | 27 | Very low | 30.2 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | | | trans | -44.5 | 101.4 | 160.9 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 322 | V | 27.3 | Very low | 30.1 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | | | trans | -141.3 | 90.2 | 157.5 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | A320 C324 | A320-V322 PolarHBondContact O-N 2.91Å; V322-C324 VanDerWaalsContact C-N 3.29Å; V322-C324 HydrophobicContact CG1-CB 4.24Å; V322-C324 PolarHBondContact O-N 3.01Å |
| 323 | V | 28.1 | Very low | 30.3 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 87% | 0.873 | 76% | 0.757 | S | S | * | * | | | trans | -71.4 | 92.1 | 164.3 | 178 | 0 | 0 | 0 | 0 | 106.4 | | |
| 324 | C | 30 | Very low | 30.7 | Very low | 98 Ų | 98 | 134 Ų | 134 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | | | trans | -101 | 129.2 | 168.5 | -158.4 | 0 | 0 | 0 | 0 | 108.2 | V322 M326 | V322-C324 VanDerWaalsContact C-N 3.29Å; V322-C324 HydrophobicContact CG1-CB 4.24Å; V322-C324 PolarHBondContact O-N 3.01Å; C324-M326 PolarHBondContact O-N 3.38Å |
| 325 | G | 26.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | | | trans | -50.8 | 124.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 326 | M | 32.9 | Very low | 31.5 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | -109 | 97 | 173.6 | -74.4 | -177.5 | 126.4 | 0 | 0 | 110 | C324 Y328 | C324-M326 PolarHBondContact O-N 3.38Å; M326-Y328 HydrophobicContact CB-CD2 3.61Å; M326-Y328 HydrophobicContact CB-CE2 3.49Å; M326-Y328 VanDerWaalsContact CB-CE2 3.49Å; M326-Y328 HydrophobicContact CB-CG 4.49Å; M326-Y328 HydrophobicContact CE-CE1 4.38Å; M326-Y328 HydrophobicContact CE-CE2 3.83Å; M326-Y328 VanDerWaalsContact CE-CZ 3.43Å; M326-Y328 WeakPolarHBondContact CE-OH 3.24Å; M326-Y328 HydrophobicContact CG-CD2 4.47Å; M326-Y328 HydrophobicContact CG-CE2 3.87Å; M326-Y328 PolarHBondContact O-N 2.93Å; M326-Y328 HydrophobicContact SD-CD2 4.35Å; M326-Y328 HydrophobicContact SD-CE2 3.29Å; M326-Y328 WeakPolarHBondContact SD-CE2 3.43Å; M326-Y328 VanDerWaalsContact SD-CZ 3.6Å; M326-Y328 PolarHBondContact SD-OH 3.42Å; M326-Y328 VanDerWaalsContact SD-OH 3.38Å |
| 327 | D | 25.5 | Very low | 32 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | -65.4 | 83.5 | 158.8 | -75.8 | -31.5 | 0 | 0 | 0 | 109.2 | V329 | D327-V329 PolarHBondContact O-N 3.39Š|
| 328 | Y | 33.8 | Very low | 32.5 | Very low | 157 Ų | 157 | 132.6 Ų | 132.6 | 62% | 0.616 | 74% | 0.741 | S | S | * | * | | | trans | -89.3 | 91.3 | 166 | -72 | -63.4 | 0 | 0 | 0 | 110.1 | M326 T330 | M326-Y328 HydrophobicContact CB-CD2 3.61Å; M326-Y328 HydrophobicContact CB-CE2 3.49Å; M326-Y328 VanDerWaalsContact CB-CE2 3.49Å; M326-Y328 HydrophobicContact CB-CG 4.49Å; M326-Y328 HydrophobicContact CE-CE1 4.38Å; M326-Y328 HydrophobicContact CE-CE2 3.83Å; M326-Y328 VanDerWaalsContact CE-CZ 3.43Å; M326-Y328 WeakPolarHBondContact CE-OH 3.24Å; M326-Y328 HydrophobicContact CG-CD2 4.47Å; M326-Y328 HydrophobicContact CG-CE2 3.87Å; M326-Y328 PolarHBondContact O-N 2.93Å; M326-Y328 HydrophobicContact SD-CD2 4.35Å; M326-Y328 HydrophobicContact SD-CE2 3.29Å; M326-Y328 WeakPolarHBondContact SD-CE2 3.43Å; M326-Y328 VanDerWaalsContact SD-CZ 3.6Å; M326-Y328 PolarHBondContact SD-OH 3.42Å; M326-Y328 VanDerWaalsContact SD-OH 3.38Å; Y328-T330 PolarHBondContact O-N 2.92Å |
| 329 | V | 28.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 67% | 0.673 | 74% | 0.741 | S | S | * | * | | | trans | -68.9 | 94.9 | 163.2 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | D327 N331 | D327-V329 PolarHBondContact O-N 3.39Å; V329-N331 PolarHBondContact O-N 2.84Å |
| 330 | T | 36.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | -77.4 | 103.5 | 164 | 43.5 | 0 | 0 | 0 | 0 | 108.4 | Y328 Y332 | Y328-T330 PolarHBondContact O-N 2.92Å; T330-Y332 VanDerWaalsContact C-N 3.3Å; T330-Y332 PolarHBondContact O-N 3.47Å |
| 331 | N | 29.5 | Very low | 34.4 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 58% | 0.578 | 74% | 0.742 | S | S | * | * | | | trans | -71 | 90.4 | 166.8 | -59.3 | -79.4 | 0 | 0 | 0 | 107.5 | R283 V329 | R283-N331 PolarHBondContact NH1-OD1 3.46Å; V329-N331 PolarHBondContact O-N 2.84Å |
| 332 | Y | 35.3 | Very low | 35.1 | Very low | 215 Ų | 215 | 140.6 Ų | 140.6 | 84% | 0.843 | 74% | 0.739 | S | S | * | * | | | trans | -94.7 | 100.5 | 157.9 | -119.7 | -91.3 | 0 | 0 | 0 | 106.6 | T330 A334 | T330-Y332 VanDerWaalsContact C-N 3.3Å; T330-Y332 PolarHBondContact O-N 3.47Å; Y332-A334 PolarHBondContact O-N 2.76Å; Y332-A334 VanDerWaalsContact O-N 3.12Å |
| 333 | E | 33.5 | Very low | 35.7 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | | | trans | -65.3 | 102.8 | 161 | -102.5 | 167 | 164.3 | 0 | 0 | 106.3 | D335 | E333-D335 PolarHBondContact O-N 3.46Š|
| 334 | A | 38.7 | Very low | 36.2 | Very low | 71 Ų | 71 | 145 Ų | 145 | 59% | 0.587 | 74% | 0.741 | S | S | * | * | | | trans | -80.4 | 102.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | Y332 H336 | Y332-A334 PolarHBondContact O-N 2.76Å; Y332-A334 VanDerWaalsContact O-N 3.12Å; A334-H336 VanDerWaalsContact C-N 3.34Å; A334-H336 PolarHBondContact O-N 2.95Å |
| 335 | D | 35.5 | Very low | 36.8 | Very low | 148 Ų | 148 | 146.6 Ų | 146.6 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -61.6 | 97.4 | 164.3 | -74.6 | -33.8 | 0 | 0 | 0 | 108.2 | E333 | E333-D335 PolarHBondContact O-N 3.46Š|
| 336 | H | 43.1 | Very low | 37.4 | Very low | 161 Ų | 161 | 148 Ų | 148 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | | | trans | -94.8 | 97.2 | 163.6 | -82.6 | -54.2 | 0 | 0 | 0 | 108.4 | A334 D338 | A334-H336 VanDerWaalsContact C-N 3.34Å; A334-H336 PolarHBondContact O-N 2.95Å; H336-D338 PolarHBondContact O-N 3.13Å; H336-D338 VanDerWaalsContact O-N 3.1Å |
| 337 | E | 39.7 | Very low | 37.7 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | trans | -68.7 | 90.2 | 162.8 | -72.8 | -100.3 | 158.5 | 0 | 0 | 108.8 | N339 | E337-N339 PolarHBondContact O-N 3.21Å; E337-N339 VanDerWaalsContact O-N 3.14Å |
| 338 | D | 42.9 | Very low | 38.3 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -75.6 | 89.9 | 165.7 | -77.9 | -29.9 | 0 | 0 | 0 | 109.2 | H336 Y340 | H336-D338 PolarHBondContact O-N 3.13Å; H336-D338 VanDerWaalsContact O-N 3.1Å; D338-Y340 PolarHBondContact O-N 3.12Å |
| 339 | N | 42.5 | Very low | 38.5 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -92.1 | 79.8 | 169.7 | -157.8 | -0.4 | 0 | 0 | 0 | 109.6 | E337 N341 | E337-N339 PolarHBondContact O-N 3.21Å; E337-N339 VanDerWaalsContact O-N 3.14Å; N339-N341 PolarHBondContact O-N 3.29Å |
| 340 | Y | 44.2 | Very low | 39.1 | Very low | 206 Ų | 206 | 152.8 Ų | 152.8 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | -81.5 | 102.8 | 166 | -92.7 | -89.7 | 0 | 0 | 0 | 108.9 | D338 | D338-Y340 PolarHBondContact O-N 3.12Š|
| 341 | N | 40.8 | Very low | 39.1 | Very low | 142 Ų | 142 | 154.9 Ų | 154.9 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | -88.6 | 101.8 | 169 | -129.7 | 5 | 0 | 0 | 0 | 108.2 | N339 Q343 | N339-N341 PolarHBondContact O-N 3.29Å; N341-Q343 PolarHBondContact O-N 2.94Å |
| 342 | E | 42.2 | Very low | 39.4 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -68.8 | 116.3 | 166.3 | -76.5 | -180 | 152.3 | 0 | 0 | 109.4 | | |
| 343 | Q | 40.6 | Very low | 39.5 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -122.6 | 108.6 | 157.3 | -87.2 | -170.6 | -19.5 | 0 | 0 | 109.3 | N341 | N341-Q343 PolarHBondContact O-N 2.94Š|
| 344 | H | 39 | Very low | 39.6 | Very low | 170 Ų | 170 | 149 Ų | 149 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | -63.7 | 129.3 | 165.9 | -75.6 | -85.7 | 0 | 0 | 0 | 111.2 | | |
| 345 | T | 41 | Very low | 39.4 | Very low | 132 Ų | 132 | 150.8 Ų | 150.8 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -149.4 | 104.8 | 149.3 | 42.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 346 | S | 40.2 | Very low | 39.4 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | 37.7 | 115.1 | 137.4 | 57.2 | 0 | 0 | 0 | 0 | 121.4 | | |
| 347 | E | 39.5 | Very low | 39.1 | Very low | 196 Ų | 196 | 154.9 Ų | 154.9 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | | 28.6 | 117.2 | 129.6 | -63.2 | -178.3 | 159.3 | 0 | 0 | 120.1 | | |
| 348 | A | 38.5 | Very low | 38.8 | Very low | 103 Ų | 103 | 153.8 Ų | 153.8 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -160.4 | 114.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 349 | Q | 36.7 | Very low | 38.5 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | | | trans | -60.1 | 139 | 164.4 | -71.8 | 169.7 | -61.7 | 0 | 0 | 110.5 | | |
| 350 | L | 41.4 | Very low | 38.1 | Very low | 180 Ų | 180 | 155.1 Ų | 155.1 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | | | trans | -153.1 | 116.6 | 135.9 | -81.7 | -171.5 | 0 | 0 | 0 | 109.4 | | |
| 351 | D | 36 | Very low | 37.7 | Very low | 149 Ų | 149 | 154.6 Ų | 154.6 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -66.8 | 159.5 | 169.9 | -97.9 | -39.7 | 0 | 0 | 0 | 112.5 | | |
| 352 | S | 36.6 | Very low | 37.3 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | | | trans | 74.4 | 102.6 | 155.9 | -51 | 0 | 0 | 0 | 0 | 118.4 | | |
| 353 | I | 36.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | | | | -153.3 | 129.9 | 126.1 | -90.2 | 139.4 | 0 | 0 | 0 | 108.2 | | |
| 354 | S | 35.2 | Very low | 36.4 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -71.9 | 152.1 | -175.8 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 355 | S | 35.1 | Very low | 36.1 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | 56.5 | 93.9 | 141.3 | -52.4 | 0 | 0 | 0 | 0 | 118.1 | | |
| 356 | D | 35.7 | Very low | 35.5 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | trans | -148 | 135.1 | 134.2 | -117.3 | -26.9 | 0 | 0 | 0 | 112.1 | | |
| 357 | R | 35.6 | Very low | 35.1 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | -71.5 | 149.4 | 176.5 | -82 | 175.6 | 166 | 168.1 | -5 | 109.5 | | |
| 358 | N | 34.6 | Very low | 34.7 | Very low | 155 Ų | 155 | 144.8 Ų | 144.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | | | trans | 85.9 | 94.2 | 163.7 | -47 | -28.4 | 0 | 0 | 0 | 116.6 | | |
| 359 | S | 36.6 | Very low | 34.5 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | | -179.4 | 88 | 122.1 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | K361 | S359-K361 PolarHBondContact O-N 3.48Š|
| 360 | E | 34.9 | Very low | 34.3 | Very low | 189 Ų | 189 | 145.5 Ų | 145.5 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -76.4 | 102.9 | 164.3 | -163 | 173.5 | -162.3 | 0 | 0 | 107.3 | | |
| 361 | K | 34 | Very low | 33.8 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | | | trans | -107.2 | 82 | 169.7 | -86.1 | -170.8 | 177.9 | -177.3 | 0 | 109.1 | S359 | S359-K361 PolarHBondContact O-N 3.48Š|
| 362 | V | 33.4 | Very low | 33.7 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | | | trans | -111.2 | 120.1 | 157.7 | -178.8 | 0 | 0 | 0 | 0 | 106.3 | C364 | V362-C364 VanDerWaalsContact C-N 3.26Å; V362-C364 PolarHBondContact O-N 3.24Å |
| 363 | P | 32 | Very low | 33.4 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | | | trans | -76.4 | 84.3 | 176.2 | 30 | -29.2 | 0 | 0 | 0 | 108.8 | I365 | P363-I365 PolarHBondContact O-N 3.18Š|
| 364 | C | 31 | Very low | 33.3 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | | | trans | -71.7 | 113.3 | 166.1 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | V362 N366 | V362-C364 VanDerWaalsContact C-N 3.26Å; V362-C364 PolarHBondContact O-N 3.24Å; C364-N366 PolarHBondContact O-N 3.19Å |
| 365 | I | 32.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 147.5 Ų | 147.5 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | | | trans | -71.7 | 75.6 | 170.3 | -51.9 | 167.7 | 0 | 0 | 0 | 107.4 | P363 | P363-I365 PolarHBondContact O-N 3.18Š|
| 366 | N | 29.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | | | trans | -123.6 | 74.5 | 171.5 | -81.7 | -14.6 | 0 | 0 | 0 | 107.6 | C364 | C364-N366 PolarHBondContact O-N 3.19Š|
| 367 | S | 30.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -156.5 | 67.6 | 172.2 | 66.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 368 | L | 32.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -151.4 | 68.5 | 163.2 | -101.4 | 147.1 | 0 | 0 | 0 | 105.6 | | |
| 369 | F | 33.4 | Very low | 32 | Very low | 177 Ų | 177 | 144 Ų | 144 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | trans | 171.4 | 111.4 | 152.4 | -79.9 | -56.4 | 0 | 0 | 0 | 106.7 | S371 | F369-S371 PolarHBondContact O-N 2.72Å; F369-S371 VanDerWaalsContact O-N 3.09Å |
| 370 | P | 34 | Very low | 31.6 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | | | trans | -69.5 | 108.6 | 169.8 | 28.5 | -29.4 | 0 | 0 | 0 | 107.8 | S372 | P370-S372 VanDerWaalsContact C-N 3.29Å; P370-S372 PolarHBondContact O-N 3.19Å |
| 371 | S | 29.9 | Very low | 31.4 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | trans | -73.8 | 87.3 | 164.4 | -167.1 | 0 | 0 | 0 | 0 | 107.7 | F369 R373 | F369-S371 PolarHBondContact O-N 2.72Å; F369-S371 VanDerWaalsContact O-N 3.09Å; S371-R373 PolarHBondContact O-N 3.06Å |
| 372 | S | 33.9 | Very low | 31.5 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | | | trans | -91.9 | 80.3 | 162 | 59 | 0 | 0 | 0 | 0 | 108.3 | P370 E374 | P370-S372 VanDerWaalsContact C-N 3.29Å; P370-S372 PolarHBondContact O-N 3.19Å; S372-E374 VanDerWaalsContact C-N 3.26Å; S372-E374 PolarHBondContact O-N 3.18Å |
| 373 | R | 31.4 | Very low | 31.4 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | trans | -78.7 | 84.6 | 152.3 | -118 | -177.1 | 171.1 | -175.1 | -2.6 | 106 | S371 | S371-R373 PolarHBondContact O-N 3.06Š|
| 374 | E | 34.1 | Very low | 31.3 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | | | trans | -115.1 | 95.1 | 158.2 | -79.5 | -171.2 | 165.4 | 0 | 0 | 107.6 | S372 | S372-E374 VanDerWaalsContact C-N 3.26Å; S372-E374 PolarHBondContact O-N 3.18Å |
| 375 | T | 31.4 | Very low | 31.3 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | 3 | 113.6 | 146.1 | 20.6 | 0 | 0 | 0 | 0 | 116.4 | S377 | T375-S377 PolarHBondContact O-N 3.03Š|
| 376 | F | 26.8 | Very low | 31.2 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -48.4 | 118.6 | 147.8 | -71.4 | -91 | 0 | 0 | 0 | 109 | | |
| 377 | S | 31 | Very low | 31.3 | Very low | 106 Ų | 106 | 152.1 Ų | 152.1 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | | | trans | -131.9 | 91.8 | 160 | -72.2 | 0 | 0 | 0 | 0 | 106.7 | T375 N379 | T375-S377 PolarHBondContact O-N 3.03Å; S377-N379 PolarHBondContact O-N 3.47Å |
| 378 | T | 28.5 | Very low | 31.4 | Very low | 134 Ų | 134 | 154.7 Ų | 154.7 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | | | trans | -55.4 | 110.8 | 161.1 | 43.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 379 | N | 30.8 | Very low | 31.3 | Very low | 134 Ų | 134 | 154.2 Ų | 154.2 | 72% | 0.717 | 82% | 0.818 | S | S | * | * | | | trans | -121.5 | 92.1 | 157.1 | -147.6 | -41.9 | 0 | 0 | 0 | 107.5 | S377 N381 | S377-N379 PolarHBondContact O-N 3.47Å; N379-N381 PolarHBondContact O-N 3.23Å; N379-N381 PolarHBondContact OD1-ND2 2.88Å |
| 380 | L | 27.6 | Very low | 31.2 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | -64.3 | 100.8 | 154.2 | -81.9 | 159.2 | 0 | 0 | 0 | 106.3 | | |
| 381 | N | 32.1 | Very low | 31 | Very low | 123 Ų | 123 | 154.7 Ų | 154.7 | 66% | 0.658 | 82% | 0.821 | S | S | * | * | | | trans | -159.1 | 135.7 | 154.3 | -87.6 | -44.7 | 0 | 0 | 0 | 109.4 | N379 | N379-N381 PolarHBondContact O-N 3.23Å; N379-N381 PolarHBondContact OD1-ND2 2.88Å |
| 382 | D | 35.6 | Very low | 31.1 | Very low | 140 Ų | 140 | 157.6 Ų | 157.6 | 75% | 0.749 | 82% | 0.823 | S | S | * | * | | | trans | 74.8 | 88.9 | 159.3 | -54.2 | -26.5 | 0 | 0 | 0 | 116.5 | | |
| 383 | V | 30.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 161.7 Ų | 161.7 | 75% | 0.752 | 83% | 0.83 | S | S | * | * | | | | 53.8 | 111.2 | 62.8 | -175.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 384 | L | 30 | Very low | 30.8 | Very low | 161 Ų | 161 | 155.7 Ų | 155.7 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | | | trans | 83.3 | 91.6 | 165.1 | -59.9 | 156.8 | 0 | 0 | 0 | 118 | | |
| 385 | Q | 31.4 | Very low | 30.5 | Very low | 274 Ų | 274 | 153.7 Ų | 153.7 | 100% | 1.28 | 83% | 0.826 | S | S | * | * | | | | -162.5 | 0 | 110 | -109.3 | 176 | 29.1 | 0 | 0 | 111.9 | | |