| 1 | M | 62.6 | Low | 91.1 | Very high | 244 Ų | 244 | 147.1 Ų | 147.1 | 100% | 1.202 | 70% | 0.702 | S | S | * | * | | | | 0 | 163.7 | 0 | -151.5 | 56 | 82.5 | 0 | 0 | 109.9 | | |
| 2 | G | 80.6 | Confident | 91.6 | Very high | 59 Ų | 59 | 147.5 Ų | 147.5 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | | | trans | -78.6 | 161.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112 | K4 | G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.02Å |
| 3 | R | 90.9 | Very high | 92.1 | Very high | 263 Ų | 263 | 142.4 Ų | 142.4 | 99% | 0.992 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -68.1 | -24.4 | 178.8 | -71.2 | -174.9 | -179.9 | 170.7 | -0.9 | 113.9 | | |
| 4 | K | 94.8 | Very high | 92.5 | Very high | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -145.2 | 152 | 174.2 | -66.6 | -169.9 | 175.3 | -172.6 | 0 | 109 | G2 | G2-K4 VanDerWaalsContact C-N 3.29Å; G2-K4 PolarHBondContact O-N 3.02Å |
| 5 | K | 93.7 | Very high | 92.9 | Very high | 165 Ų | 165 | 144.5 Ų | 144.5 | 72% | 0.717 | 68% | 0.68 | S | S | * | * | | | trans | -65.2 | 146.2 | 164.2 | -173.2 | -178.3 | 178.1 | -173.9 | 0 | 108.2 | G95 | K5-G95 PolarHBondContact NZ-O 2.98Š|
| 6 | I | 94.9 | Very high | 93.1 | Very high | 90 Ų | 90 | 141.3 Ų | 141.3 | 46% | 0.462 | 67% | 0.668 | S | S | . | * | | | trans | -129.1 | 150 | 170.2 | 68.1 | 173.2 | 0 | 0 | 0 | 109.2 | | |
| 7 | Q | 96.1 | Very high | 93.4 | Very high | 141 Ų | 141 | 135.5 Ų | 135.5 | 66% | 0.659 | 64% | 0.639 | S | S | * | * | | | trans | -68.2 | 157.6 | 170 | -70 | 174.3 | -19.1 | 0 | 0 | 110.7 | T9 | Q7-T9 VanDerWaalsContact C-N 3.32Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 2.96Å |
| 8 | I | 96.3 | Very high | 93.7 | Very high | 144 Ų | 144 | 133.2 Ų | 133.2 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -93 | 69.9 | 177.1 | -52.3 | -56.9 | 0 | 0 | 0 | 108.9 | | |
| 9 | T | 97.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 130.4 Ų | 130.4 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -127.6 | 170 | 178.9 | 54.6 | 0 | 0 | 0 | 0 | 110.5 | Q7 I11 | Q7-T9 VanDerWaalsContact C-N 3.32Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 2.96Å; T9-I11 PolarHBondContact O-N 3.4Å |
| 10 | R | 96.9 | Very high | 94.1 | Very high | 173 Ų | 173 | 125.9 Ų | 125.9 | 65% | 0.653 | 60% | 0.602 | S | S | * | * | | | trans | -65.8 | 116.5 | 178.2 | -179 | 175.3 | 178.5 | 148.1 | -1.1 | 110.1 | M12 | R10-M12 HydrophobicContact CG-SD 4.37Å; R10-M12 PolarHBondContact O-N 3.31Å; R10-M12 VanDerWaalsContact O-N 3.14Å |
| 11 | I | 97.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 122.1 Ų | 122.1 | 27% | 0.272 | 58% | 0.583 | S | S | . | * | | | trans | -65.3 | 113.6 | 171.5 | -58.6 | 173.3 | 0 | 0 | 0 | 108.2 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 3.4Å; I11-N16 HydrophobicContact CG2-CB 4.1Å; I11-R17 HydrophobicContact CB-CB 4.04Å; I11-R17 HydrophobicContact CB-CG 4.4Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.39Å; I11-R17 PolarHBondContact O-NH1 2.66Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å |
| 12 | M | 97.8 | Very high | 96 | Very high | 152 Ų | 152 | 114 Ų | 114 | 75% | 0.749 | 55% | 0.547 | S | S | * | . | | | trans | -72.4 | -44.6 | -175.3 | -63.3 | -57.9 | -74.8 | 0 | 0 | 112.5 | R10 E14 R17 | R10-M12 HydrophobicContact CG-SD 4.37Å; R10-M12 PolarHBondContact O-N 3.31Å; R10-M12 VanDerWaalsContact O-N 3.14Å; M12-E14 PolarHBondContact O-N 3.42Å; M12-R17 PolarHBondContact O-NH1 3.06Å |
| 13 | D | 97.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 118.6 Ų | 118.6 | 43% | 0.433 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -61.5 | 123.2 | 176.4 | 178.1 | -65.1 | 0 | 0 | 0 | 111.8 | R15 N16 R17 | D13-R15 WeakPolarHBondContact OD1-CA 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.25Å; D13-R15 PolarHBondContact OD1-N 2.74Å; D13-N16 HydrophobicContact CB-CB 4.12Å; D13-N16 WeakPolarHBondContact OD1-CB 3.3Å; D13-N16 PolarHBondContact OD1-N 3.14Å; D13-N16 PolarHBondContact OD1-ND2 3.37Å; D13-N16 PolarHBondContact OD2-ND2 3.31Å; D13-R17 WeakPolarHBondContact O-CB 3.29Å; D13-R17 PolarHBondContact O-N 3.48Å |
| 14 | E | 97.8 | Very high | 97.1 | Very high | 111 Ų | 111 | 112.5 Ų | 112.5 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | -175.7 | -164.3 | 66.6 | -111.6 | 0 | 0 | 113.2 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 3.42Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 IonicContact OE1-CZ 2.67Å; E14-R17 VanDerWaalsContact OE1-CZ 3.28Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 PolarHBondContact OE1-NE 3.44Å; E14-R17 IonicContact OE1-NH2 2.6Å; E14-R17 PolarHBondContact OE1-NH2 3.27Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH2 2.98Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.15Å |
| 15 | R | 98 | Very high | 97.3 | Very high | 205 Ų | 205 | 105.8 Ų | 105.8 | 77% | 0.774 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68 | -45.7 | -175.2 | -175.5 | -176.7 | -67.5 | 166.5 | -0.9 | 110.1 | D13 Q18 V19 | D13-R15 WeakPolarHBondContact OD1-CA 3.35Å; D13-R15 WeakPolarHBondContact OD1-CB 3.25Å; D13-R15 PolarHBondContact OD1-N 2.74Å; R15-Q18 PolarHBondContact O-N 2.98Å; R15-V19 WeakPolarHBondContact O-CB 3.33Å; R15-V19 VanDerWaalsContact O-CG2 3.32Å; R15-V19 WeakPolarHBondContact O-CG2 3.5Å; R15-V19 PolarHBondContact O-N 2.97Å |
| 16 | N | 97.4 | Very high | 97.5 | Very high | 93 Ų | 93 | 104.7 Ų | 104.7 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 175.5 | -70.3 | -43.2 | 0 | 0 | 0 | 111.5 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.1Å; D13-N16 HydrophobicContact CB-CB 4.12Å; D13-N16 WeakPolarHBondContact OD1-CB 3.3Å; D13-N16 PolarHBondContact OD1-N 3.14Å; D13-N16 PolarHBondContact OD1-ND2 3.37Å; D13-N16 PolarHBondContact OD2-ND2 3.31Å; N16-T20 WeakPolarHBondContact O-CB 3.5Å; N16-T20 PolarHBondContact O-N 2.99Å; N16-T20 PolarHBondContact O-OG1 3.21Å |
| 17 | R | 98.1 | Very high | 97.7 | Very high | 44 Ų | 44 | 102 Ų | 102 | 17% | 0.166 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 173.7 | -175.3 | 167.6 | 65.2 | -112.9 | 7.8 | 111.3 | I11 M12 D13 E14 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.04Å; I11-R17 HydrophobicContact CB-CG 4.4Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.39Å; I11-R17 PolarHBondContact O-NH1 2.66Å; M12-R17 PolarHBondContact O-NH1 3.06Å; D13-R17 WeakPolarHBondContact O-CB 3.29Å; D13-R17 PolarHBondContact O-N 3.48Å; E14-R17 PolarHBondContact O-N 3.48Å; E14-R17 IonicContact OE1-CZ 2.67Å; E14-R17 VanDerWaalsContact OE1-CZ 3.28Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 PolarHBondContact OE1-NE 3.44Å; E14-R17 IonicContact OE1-NH2 2.6Å; E14-R17 PolarHBondContact OE1-NH2 3.27Å; E14-R17 IonicContact OE2-CZ 2.68Å; E14-R17 IonicContact OE2-NH2 2.98Å; E14-R17 PolarHBondContact OE2-NH2 3.31Å; R17-T20 PolarHBondContact O-N 3.13Å; R17-F21 VanDerWaalsContact O-CB 3.31Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.34Å |
| 18 | Q | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 99.6 Ų | 99.6 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -44.2 | 180 | -179.2 | 60.8 | 6.9 | 0 | 0 | 112.5 | E14 R15 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.25Å; E14-Q18 PolarHBondContact O-N 3.15Å; R15-Q18 PolarHBondContact O-N 2.98Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.21Å; Q18-F21 PolarHBondContact O-N 3.36Å; Q18-T22 PolarHBondContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.04Å |
| 19 | V | 98.1 | Very high | 97.9 | Very high | 81 Ų | 81 | 93.9 Ų | 93.9 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 174.5 | 171 | 0 | 0 | 0 | 0 | 111.2 | R15 K23 | R15-V19 WeakPolarHBondContact O-CB 3.33Å; R15-V19 VanDerWaalsContact O-CG2 3.32Å; R15-V19 WeakPolarHBondContact O-CG2 3.5Å; R15-V19 PolarHBondContact O-N 2.97Å; V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 WeakPolarHBondContact O-CG 3.35Å; V19-K23 PolarHBondContact O-N 3.15Å |
| 20 | T | 97.3 | Very high | 98 | Very high | 40 Ų | 40 | 94.3 Ų | 94.3 | 25% | 0.245 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.5 | -40.4 | 177.5 | -59 | 0 | 0 | 0 | 0 | 111.8 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.5Å; N16-T20 PolarHBondContact O-N 2.99Å; N16-T20 PolarHBondContact O-OG1 3.21Å; R17-T20 PolarHBondContact O-N 3.13Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.21Å; T20-K23 PolarHBondContact O-N 3.46Å; T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 WeakPolarHBondContact O-CG 3.36Å; T20-R24 PolarHBondContact O-N 3.49Å |
| 21 | F | 98.3 | Very high | 98.1 | Very high | 46 Ų | 46 | 92.3 Ų | 92.3 | 20% | 0.202 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.6 | -55.4 | 175.8 | 175.8 | -100.9 | 0 | 0 | 0 | 110.7 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 VanDerWaalsContact O-CB 3.31Å; R17-F21 WeakPolarHBondContact O-CB 3.4Å; R17-F21 PolarHBondContact O-N 3.34Å; Q18-F21 PolarHBondContact O-N 3.36Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.17Å; F21-R24 PolarHBondContact O-N 3.22Å; F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.41Å; F21-K25 PolarHBondContact O-N 3.17Å; F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.33Å; F21-N49 HydrophobicContact CE2-CB 4.21Å; F21-N49 HydrophobicContact CZ-CB 3.88Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CZ 4Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CG 4.44Å |
| 22 | T | 98 | Very high | 98.1 | Very high | 74 Ų | 74 | 90.4 Ų | 90.4 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.1 | -46 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 111.9 | Q18 F26 | Q18-T22 PolarHBondContact O-N 3.09Å; Q18-T22 PolarHBondContact O-OG1 3.04Å; T22-F26 PolarHBondContact O-N 3.09Å |
| 23 | K | 97.4 | Very high | 98.2 | Very high | 155 Ų | 155 | 89.7 Ų | 89.7 | 67% | 0.674 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -71.8 | -41.7 | -178.8 | -67.3 | -178.8 | 69.8 | 166.6 | 0 | 113.3 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 4.17Å; V19-K23 WeakPolarHBondContact O-CG 3.35Å; V19-K23 PolarHBondContact O-N 3.15Å; T20-K23 PolarHBondContact O-N 3.46Å; F21-K23 VanDerWaalsContact C-N 3.3Å; F21-K23 PolarHBondContact O-N 3.17Å; K23-G27 PolarHBondContact O-N 3.22Å |
| 24 | R | 98.3 | Very high | 98.2 | Very high | 135 Ų | 135 | 88.5 Ų | 88.5 | 51% | 0.509 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -71.3 | -38.6 | 177.7 | -74.5 | -169.3 | 175.4 | -153.8 | -1.5 | 112 | T20 F21 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.47Å; T20-R24 WeakPolarHBondContact O-CG 3.36Å; T20-R24 PolarHBondContact O-N 3.49Å; F21-R24 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.05Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 2.9Å |
| 25 | K | 98.4 | Very high | 98.3 | Very high | 46 Ų | 46 | 87.6 Ų | 87.6 | 20% | 0.2 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.1 | -49.8 | 174.4 | -170.9 | -170.9 | 78.8 | 72.1 | 0 | 111.1 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.41Å; F21-K25 PolarHBondContact O-N 3.17Å; K25-L28 PolarHBondContact O-N 2.93Å; K25-M29 HydrophobicContact CD-CE 4.17Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.93Å; K25-M29 HydrophobicContact CG-SD 3.98Å; K25-M29 PolarHBondContact NZ-SD 3.16Å; K25-M29 WeakPolarHBondContact O-CB 3.26Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.5Å; K25-M29 PolarHBondContact O-N 3Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.86Å |
| 26 | F | 98.5 | Very high | 98.3 | Very high | 143 Ų | 143 | 78.3 Ų | 78.3 | 63% | 0.627 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.6 | -42.8 | 176.4 | -175.7 | -97.3 | 0 | 0 | 0 | 112.2 | T22 L28 M29 K30 | T22-F26 PolarHBondContact O-N 3.09Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.05Å; F26-M29 PolarHBondContact O-N 3Å; F26-K30 WeakPolarHBondContact O-CB 3.3Å; F26-K30 PolarHBondContact O-N 3.47Å |
| 27 | G | 98.5 | Very high | 98.3 | Very high | 34 Ų | 34 | 78.2 Ų | 78.2 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -40.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K23 R24 K30 K31 | K23-G27 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.05Å; G27-K30 PolarHBondContact O-N 2.92Å; G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 3.22Å; G27-K31 VanDerWaalsContact O-N 3.12Å |
| 28 | L | 98.6 | Very high | 98.4 | Very high | 90 Ų | 90 | 82.9 Ų | 82.9 | 47% | 0.471 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -45.3 | 176.8 | -178 | 61.1 | 0 | 0 | 0 | 111.6 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 2.9Å; K25-L28 PolarHBondContact O-N 2.93Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.05Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; L28-K31 PolarHBondContact O-N 2.73Å; L28-K31 VanDerWaalsContact O-N 3.08Å; L28-A32 PolarHBondContact O-N 3.15Å; L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.97Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; L28-I47 HydrophobicContact CD2-CD1 4.28Å |
| 29 | M | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 82.2 Ų | 82.2 | 12% | 0.118 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60 | -40.5 | 174.6 | -71.5 | 168 | 166.2 | 0 | 0 | 111.8 | K25 F26 K31 A32 Y33 L45 Q56 Y57 | K25-M29 HydrophobicContact CD-CE 4.17Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.93Å; K25-M29 HydrophobicContact CG-SD 3.98Å; K25-M29 PolarHBondContact NZ-SD 3.16Å; K25-M29 WeakPolarHBondContact O-CB 3.26Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.5Å; K25-M29 PolarHBondContact O-N 3Å; F26-M29 PolarHBondContact O-N 3Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.74Å; M29-A32 PolarHBondContact O-N 2.85Å; M29-Y33 PolarHBondContact O-N 3.11Å; M29-L45 HydrophobicContact CG-CD2 4.17Å; M29-Q56 WeakPolarHBondContact CE-O 3.42Å; M29-Y57 HydrophobicContact CG-CG 4.32Å |
| 30 | K | 98.7 | Very high | 98.4 | Very high | 108 Ų | 108 | 85.9 Ų | 85.9 | 47% | 0.47 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 173.5 | -169.3 | 177.6 | -170.3 | -71.1 | 0 | 112.3 | F26 G27 L28 E34 | F26-K30 WeakPolarHBondContact O-CB 3.3Å; F26-K30 PolarHBondContact O-N 3.47Å; G27-K30 PolarHBondContact O-N 2.92Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; K30-E34 IonicContact NZ-OE1 3.6Å; K30-E34 PolarHBondContact NZ-OE1 3.34Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.25Å; K30-E34 PolarHBondContact O-N 3.47Å |
| 31 | K | 98.7 | Very high | 98.4 | Very high | 131 Ų | 131 | 86.4 Ų | 86.4 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -72.5 | -36.9 | 176.5 | -71.1 | -149 | 143.6 | -61.5 | 0 | 113.6 | G27 L28 M29 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.3Å; G27-K31 PolarHBondContact O-N 3.22Å; G27-K31 VanDerWaalsContact O-N 3.12Å; L28-K31 PolarHBondContact O-N 2.73Å; L28-K31 VanDerWaalsContact O-N 3.08Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.74Å; K31-E34 IonicContact NZ-OE2 3.47Å; K31-E34 PolarHBondContact NZ-OE2 3.37Å; K31-E34 PolarHBondContact O-N 3.27Å; K31-L35 WeakPolarHBondContact O-CB 3.19Å; K31-L35 PolarHBondContact O-N 3.17Å |
| 32 | A | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 87.3 Ų | 87.3 | 11% | 0.107 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.15Å; M29-A32 PolarHBondContact O-N 2.85Å; A32-L35 PolarHBondContact O-N 3.29Å; A32-S36 WeakPolarHBondContact O-CB 3.5Å; A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 PolarHBondContact O-OG 3.17Å; A32-I43 HydrophobicContact CB-CG2 4.19Å; A32-Y57 HydrophobicContact CB-CD1 3.89Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å |
| 33 | Y | 98.7 | Very high | 98.4 | Very high | 137 Ų | 137 | 85.5 Ų | 85.5 | 54% | 0.537 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -58.5 | -51.9 | 172.4 | 172.2 | -101 | 0 | 0 | 0 | 112.5 | M29 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 3.11Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.99Å; Y33-S36 WeakPolarHBondContact CA-OG 3.5Å; Y33-S36 PolarHBondContact O-N 3.29Å; Y33-S36 PolarHBondContact O-OG 3.37Å; Y33-V37 HydrophobicContact CD2-CG2 4.04Å; Y33-V37 HydrophobicContact CE1-CG2 4.43Å; Y33-V37 HydrophobicContact CE2-CG2 3.63Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.68Å; Y33-V37 VanDerWaalsContact O-N 3.1Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.45Å |
| 34 | E | 98.8 | Very high | 98.5 | Very high | 56 Ų | 56 | 79.9 Ų | 79.9 | 26% | 0.262 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -51.3 | -48 | 175.8 | -77.2 | 163.6 | -176.1 | 0 | 0 | 111.8 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 3.6Å; K30-E34 PolarHBondContact NZ-OE1 3.34Å; K30-E34 WeakPolarHBondContact O-CB 3.48Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.25Å; K30-E34 PolarHBondContact O-N 3.47Å; K31-E34 IonicContact NZ-OE2 3.47Å; K31-E34 PolarHBondContact NZ-OE2 3.37Å; K31-E34 PolarHBondContact O-N 3.27Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.12Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.46Å; E34-L38 PolarHBondContact O-N 3.33Å |
| 35 | L | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 75.2 Ų | 75.2 | 48% | 0.482 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -67.4 | -43.9 | -180 | -176.6 | 60.6 | 0 | 0 | 0 | 112.3 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.19Å; K31-L35 PolarHBondContact O-N 3.17Å; A32-L35 PolarHBondContact O-N 3.29Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.99Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 2.9Å; L35-C39 HydrophobicContact CD1-CB 4.32Å; L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 2.74Å; L35-C39 VanDerWaalsContact O-N 3.08Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.95Å; L35-I43 HydrophobicContact CG-CD1 3.98Å |
| 36 | S | 98.4 | Very high | 98.5 | Very high | 10 Ų | 10 | 77 Ų | 77 | 7% | 0.07 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | A32 Y33 D40 C41 S59 | A32-S36 WeakPolarHBondContact O-CB 3.5Å; A32-S36 PolarHBondContact O-N 3.29Å; A32-S36 PolarHBondContact O-OG 3.17Å; Y33-S36 WeakPolarHBondContact CA-OG 3.5Å; Y33-S36 PolarHBondContact O-N 3.29Å; Y33-S36 PolarHBondContact O-OG 3.37Å; S36-D40 VanDerWaalsContact O-CA 3.3Å; S36-D40 WeakPolarHBondContact O-CA 3.44Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-D40 VanDerWaalsContact O-N 3.15Å; S36-C41 WeakPolarHBondContact CA-O 3.44Å; S36-C41 WeakPolarHBondContact CB-O 3.39Å; S36-C41 PolarHBondContact O-N 3.43Å; S36-S59 WeakPolarHBondContact OG-CB 3.49Å |
| 37 | V | 98.5 | Very high | 98.5 | Very high | 91 Ų | 91 | 71.7 Ų | 71.7 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -81.8 | -36.5 | -178.6 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.04Å; Y33-V37 HydrophobicContact CE1-CG2 4.43Å; Y33-V37 HydrophobicContact CE2-CG2 3.63Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.68Å; Y33-V37 VanDerWaalsContact O-N 3.1Å; L35-V37 VanDerWaalsContact C-N 3.3Å; L35-V37 PolarHBondContact O-N 3.41Å |
| 38 | L | 98.8 | Very high | 98.5 | Very high | 142 Ų | 142 | 76.4 Ų | 76.4 | 74% | 0.743 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -77.4 | -22.7 | -178.3 | -71 | 171.3 | 0 | 0 | 0 | 113.6 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.12Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.46Å; E34-L38 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 2.9Å |
| 39 | C | 98.6 | Very high | 98.4 | Very high | 78 Ų | 78 | 73.2 Ų | 73.2 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.4 | 13.2 | -173.5 | -58.6 | 0 | 0 | 0 | 0 | 113.8 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.32Å; L35-C39 WeakPolarHBondContact O-CB 3.19Å; L35-C39 PolarHBondContact O-N 2.74Å; L35-C39 VanDerWaalsContact O-N 3.08Å; C39-C41 PolarHBondContact O-N 2.91Å; C39-C41 PolarHBondContact O-SG 3.07Å |
| 40 | D | 98.1 | Very high | 98.3 | Very high | 159 Ų | 159 | 75.8 Ų | 75.8 | 85% | 0.85 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 52.5 | -177.8 | -160.1 | 22.9 | 0 | 0 | 0 | 113.5 | S36 | S36-D40 VanDerWaalsContact O-CA 3.3Å; S36-D40 WeakPolarHBondContact O-CA 3.44Å; S36-D40 PolarHBondContact O-N 3.22Å; S36-D40 VanDerWaalsContact O-N 3.15Å |
| 41 | C | 97.7 | Very high | 98.2 | Very high | 51 Ų | 51 | 74.9 Ų | 74.9 | 35% | 0.345 | 40% | 0.401 | S | S | . | . | | | trans | -109.4 | 128.2 | -171.8 | -69.6 | 0 | 0 | 0 | 0 | 112.8 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.44Å; S36-C41 WeakPolarHBondContact CB-O 3.39Å; S36-C41 PolarHBondContact O-N 3.43Å; C39-C41 PolarHBondContact O-N 2.91Å; C39-C41 PolarHBondContact O-SG 3.07Å; C41-I43 HydrophobicContact CB-CD1 4.16Å; C41-I43 HydrophobicContact CB-CG1 4.07Å; C41-I43 PolarHBondContact O-N 3.34Å; C41-S59 PolarHBondContact O-OG 3.08Å; C41-S59 VanDerWaalsContact O-OG 3.07Å |
| 42 | E | 97.9 | Very high | 98.1 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 30% | 0.299 | 41% | 0.409 | S | S | . | . | | | trans | -75.1 | 119.9 | 165 | -65.6 | -170.4 | 120.5 | 0 | 0 | 109.9 | K64 V65 K68 | E42-K64 IonicContact OE1-NZ 2.74Å; E42-K64 PolarHBondContact OE1-NZ 2.83Å; E42-V65 HydrophobicContact CB-CG2 4.2Å; E42-K68 WeakPolarHBondContact OE2-CD 3.47Å; E42-K68 IonicContact OE2-NZ 3.16Å; E42-K68 PolarHBondContact OE2-NZ 3.42Å |
| 43 | I | 98.3 | Very high | 98.1 | Very high | 36 Ų | 36 | 81.1 Ų | 81.1 | 19% | 0.185 | 43% | 0.432 | C | S | . | . | | | trans | -132.5 | 128.2 | -175.3 | -60.2 | 176.8 | 0 | 0 | 0 | 109 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.19Å; L35-I43 HydrophobicContact CB-CD1 4.06Å; L35-I43 HydrophobicContact CD2-CD1 3.95Å; L35-I43 HydrophobicContact CG-CD1 3.98Å; C41-I43 HydrophobicContact CB-CD1 4.16Å; C41-I43 HydrophobicContact CB-CG1 4.07Å; C41-I43 PolarHBondContact O-N 3.34Å; I43-A58 CarbonylContact O-C 3.6Å; I43-A58 VanDerWaalsContact O-CA 3.25Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; I43-S59 PolarHBondContact N-OG 3.32Å; I43-S59 PolarHBondContact O-N 2.89Å |
| 44 | A | 98.4 | Very high | 98.1 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y57 M62 V65 | A44-Y57 CarbonylContact C-O 3.53Å; A44-M62 HydrophobicContact CB-CE 4.37Å; A44-M62 HydrophobicContact CB-SD 3.9Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å |
| 45 | L | 98.6 | Very high | 98.1 | Very high | 37 Ų | 37 | 79 Ų | 79 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 119.1 | 179.8 | 175 | 62.8 | 0 | 0 | 0 | 109.7 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.24Å; L28-L45 HydrophobicContact CD2-CD2 3.97Å; L28-L45 HydrophobicContact CG-CD2 3.88Å; M29-L45 HydrophobicContact CG-CD2 4.17Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.16Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.51Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L45-Y57 HydrophobicContact CB-CD1 4.39Å; L45-Y57 PolarHBondContact N-O 3.47Å; L45-Y57 PolarHBondContact O-N 3.03Å |
| 46 | I | 98.5 | Very high | 98.1 | Very high | 84 Ų | 84 | 79.4 Ų | 79.4 | 43% | 0.431 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 130.2 | 179.3 | -66.2 | 174.8 | 0 | 0 | 0 | 108.8 | F48 L54 L66 | I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.59Å; I46-F48 HydrophobicContact CG2-CZ 4.29Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-L66 HydrophobicContact CD1-CD2 4.25Å |
| 47 | I | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 81.1 Ų | 81.1 | 15% | 0.154 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 112.7 | -179.5 | -56.8 | 171.7 | 0 | 0 | 0 | 109.2 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.94Å; L28-I47 HydrophobicContact CD2-CD1 4.28Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.16Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.47Å; I47-F55 PolarHBondContact N-O 3.45Å; I47-F55 PolarHBondContact O-N 3.01Å |
| 48 | F | 98.5 | Very high | 98.1 | Very high | 133 Ų | 133 | 77.7 Ų | 77.7 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135 | 163.5 | -64.3 | -83.4 | 0 | 0 | 0 | 109.6 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.59Å; I46-F48 HydrophobicContact CG2-CZ 4.29Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.99Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å |
| 49 | N | 96.9 | Very high | 98.1 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.128 | 39% | 0.391 | C | S | . | . | | | trans | -86.7 | 177 | 170.9 | 83.3 | -22.3 | 0 | 0 | 0 | 111.4 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.33Å; F21-N49 HydrophobicContact CE2-CB 4.21Å; F21-N49 HydrophobicContact CZ-CB 3.88Å; N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-C 3.26Å; N49-T51 WeakPolarHBondContact OD1-CA 3.3Å; N49-T51 PolarHBondContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 2.85Å; N49-N52 PolarHBondContact O-N 3.32Å; N49-N52 PolarHBondContact OD1-N 3.06Å; N49-K53 PolarHBondContact N-O 2.67Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 3.1Å; N49-F55 HydrophobicContact CB-CE2 4.11Å |
| 50 | S | 96.1 | Very high | 98 | Very high | 78 Ų | 78 | 72.7 Ų | 72.7 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 6.4 | 177 | 60 | 0 | 0 | 0 | 0 | 115.4 | | |
| 51 | T | 96.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 69.3 Ų | 69.3 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 25 | 170.4 | 69.8 | 0 | 0 | 0 | 0 | 110.8 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.44Å; N49-T51 VanDerWaalsContact OD1-C 3.26Å; N49-T51 WeakPolarHBondContact OD1-CA 3.3Å; N49-T51 PolarHBondContact OD1-N 3.09Å; N49-T51 PolarHBondContact OD1-OG1 2.85Å; T51-K53 PolarHBondContact O-N 3.34Å |
| 52 | N | 97.3 | Very high | 98 | Very high | 139 Ų | 139 | 67.6 Ų | 67.6 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | | | trans | 52.7 | 21.8 | -179.7 | -59.4 | -11.3 | 0 | 0 | 0 | 115.5 | N49 | N49-N52 PolarHBondContact O-N 3.32Å; N49-N52 PolarHBondContact OD1-N 3.06Å |
| 53 | K | 98.1 | Very high | 98 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 37% | 0.374 | S | S | * | . | | | trans | -79.3 | 122.9 | 172.7 | -66.4 | -174.1 | 177.6 | -172.3 | 0 | 109.2 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 2.67Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 3.1Å; T51-K53 PolarHBondContact O-N 3.34Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.42Å; K53-F55 WeakPolarHBondContact O-CD2 3.37Å |
| 54 | L | 98.3 | Very high | 97.9 | Very high | 83 Ų | 83 | 73.9 Ų | 73.9 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 133.9 | 174.3 | 176.6 | 58.4 | 0 | 0 | 0 | 110.8 | I46 F48 Q56 | I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.25Å; F48-L54 HydrophobicContact CD1-CD1 4.47Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.99Å; F48-L54 HydrophobicContact CE1-CG 4.42Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å |
| 55 | F | 98.6 | Very high | 97.9 | Very high | 65 Ų | 65 | 73 Ų | 73 | 29% | 0.285 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 127.3 | 163.1 | -57.4 | -95.1 | 0 | 0 | 0 | 107.7 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CE2 3.71Å; F21-F55 HydrophobicContact CE1-CZ 4Å; F21-F55 AromaticContact CZ-CD2 3.75Å; F21-F55 HydrophobicContact CZ-CD2 3.75Å; F21-F55 AromaticContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CE2 3.8Å; F21-F55 HydrophobicContact CZ-CG 4.44Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.86Å; I47-F55 HydrophobicContact CB-CB 4.47Å; I47-F55 PolarHBondContact N-O 3.45Å; I47-F55 PolarHBondContact O-N 3.01Å; N49-F55 HydrophobicContact CB-CE2 4.11Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.42Å; K53-F55 WeakPolarHBondContact O-CD2 3.37Å |
| 56 | Q | 98.4 | Very high | 97.8 | Very high | 101 Ų | 101 | 74.4 Ų | 74.4 | 47% | 0.472 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 162.7 | -176 | 80.4 | -165.5 | 50.2 | 0 | 0 | 112.5 | M29 L45 L54 M62 | M29-Q56 WeakPolarHBondContact CE-O 3.42Å; L45-Q56 CarbonylContact O-C 3.51Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.49Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CG-CE 3.87Å |
| 57 | Y | 98.7 | Very high | 97.7 | Very high | 46 Ų | 46 | 75.1 Ų | 75.1 | 18% | 0.18 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 140 | 170.8 | 165.9 | -96.5 | 0 | 0 | 0 | 109.2 | M29 A32 Y33 A44 L45 S59 M62 | M29-Y57 HydrophobicContact CG-CG 4.32Å; A32-Y57 HydrophobicContact CB-CD1 3.89Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.45Å; A44-Y57 CarbonylContact C-O 3.53Å; L45-Y57 HydrophobicContact CB-CD1 4.39Å; L45-Y57 PolarHBondContact N-O 3.47Å; L45-Y57 PolarHBondContact O-N 3.03Å; Y57-S59 WeakPolarHBondContact OH-CA 3.46Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.4Å |
| 58 | A | 98.5 | Very high | 97.6 | Very high | 20 Ų | 20 | 77.6 Ų | 77.6 | 17% | 0.165 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109 | I43 T60 M62 | I43-A58 CarbonylContact O-C 3.6Å; I43-A58 VanDerWaalsContact O-CA 3.25Å; I43-A58 WeakPolarHBondContact O-CA 3.45Å; A58-T60 VanDerWaalsContact C-N 3.34Å; A58-M62 HydrophobicContact CB-CB 4.36Å; A58-M62 HydrophobicContact CB-CE 4.09Å |
| 59 | S | 98.2 | Very high | 97.5 | Very high | 35 Ų | 35 | 79 Ų | 79 | 25% | 0.245 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -75.5 | -26.3 | 168.9 | 58.4 | 0 | 0 | 0 | 0 | 112.7 | S36 C41 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.49Å; C41-S59 PolarHBondContact O-OG 3.08Å; C41-S59 VanDerWaalsContact O-OG 3.07Å; I43-S59 PolarHBondContact N-OG 3.32Å; I43-S59 PolarHBondContact O-N 2.89Å; Y57-S59 WeakPolarHBondContact OH-CA 3.46Å |
| 60 | T | 97.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 82.8 Ų | 82.8 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -120 | -117.6 | 171.7 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | A58 | A58-T60 VanDerWaalsContact C-N 3.34Š|
| 61 | D | 97.4 | Very high | 97.3 | Very high | 88 Ų | 88 | 85 Ų | 85 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | | | trans | -103.1 | 141 | 175.9 | -178.4 | -82.7 | 0 | 0 | 0 | 110.1 | D63 K64 V65 | D61-D63 PolarHBondContact OD1-N 3.35Å; D61-K64 HydrophobicContact CB-CB 3.89Å; D61-K64 PolarHBondContact OD1-N 3.29Å; D61-V65 WeakPolarHBondContact O-CG2 3.23Å; D61-V65 PolarHBondContact O-N 2.8Å |
| 62 | M | 98.3 | Very high | 97 | Very high | 16 Ų | 16 | 88.4 Ų | 88.4 | 8% | 0.079 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.7 | -47.2 | -177.3 | 179.8 | 62.6 | 63.9 | 0 | 0 | 111.9 | A44 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.37Å; A44-M62 HydrophobicContact CB-SD 3.9Å; Q56-M62 HydrophobicContact CB-CE 3.73Å; Q56-M62 HydrophobicContact CG-CE 3.87Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.4Å; A58-M62 HydrophobicContact CB-CB 4.36Å; A58-M62 HydrophobicContact CB-CE 4.09Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.2Å; M62-V65 PolarHBondContact O-N 2.86Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.31Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.09Å; M62-L66 HydrophobicContact SD-CD1 3.94Å; M62-L66 HydrophobicContact SD-CG 4.02Å |
| 63 | D | 97.6 | Very high | 96.1 | Very high | 119 Ų | 119 | 89.9 Ų | 89.9 | 64% | 0.636 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -71.2 | -34.1 | -173.2 | -61 | -17.9 | 0 | 0 | 0 | 109.6 | D61 L66 L67 | D61-D63 PolarHBondContact OD1-N 3.35Å; D63-L66 PolarHBondContact O-N 3.34Å; D63-L67 VanDerWaalsContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 PolarHBondContact O-N 2.99Å |
| 64 | K | 97.6 | Very high | 95.7 | Very high | 112 Ų | 112 | 91.2 Ų | 91.2 | 49% | 0.487 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 169.2 | -169 | -156.8 | 176.9 | -161 | 0 | 112.5 | E42 D61 M62 K68 | E42-K64 IonicContact OE1-NZ 2.74Å; E42-K64 PolarHBondContact OE1-NZ 2.83Å; D61-K64 HydrophobicContact CB-CB 3.89Å; D61-K64 PolarHBondContact OD1-N 3.29Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.2Å; K64-K68 WeakPolarHBondContact O-CB 3.42Å; K64-K68 PolarHBondContact O-N 2.63Å |
| 65 | V | 97.4 | Very high | 95.4 | Very high | 19 Ų | 19 | 90.6 Ų | 90.6 | 12% | 0.115 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -72.8 | -33.7 | -177.9 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.2Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å; D61-V65 WeakPolarHBondContact O-CG2 3.23Å; D61-V65 PolarHBondContact O-N 2.8Å; M62-V65 PolarHBondContact O-N 2.86Å; V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.21Å |
| 66 | L | 97 | Very high | 95.1 | Very high | 67 Ų | 67 | 97.2 Ų | 97.2 | 35% | 0.351 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.9 | -39.9 | 173.7 | -69.2 | 176.6 | 0 | 0 | 0 | 112.5 | I46 M62 D63 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.25Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.31Å; M62-L66 WeakPolarHBondContact O-CG 3.41Å; M62-L66 PolarHBondContact O-N 3.09Å; M62-L66 HydrophobicContact SD-CD1 3.94Å; M62-L66 HydrophobicContact SD-CG 4.02Å; D63-L66 PolarHBondContact O-N 3.34Å; L66-Y69 WeakPolarHBondContact O-CB 3.36Å; L66-Y69 PolarHBondContact O-N 2.94Å; L66-T70 PolarHBondContact O-N 3.03Å; L66-T70 PolarHBondContact O-OG1 2.85Å |
| 67 | L | 96.5 | Very high | 94.9 | Very high | 100 Ų | 100 | 98.3 Ų | 98.3 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 173 | 178.8 | 61.5 | 0 | 0 | 0 | 110.6 | D63 Y69 T70 E71 | D63-L67 VanDerWaalsContact O-CB 3.23Å; D63-L67 WeakPolarHBondContact O-CB 3.45Å; D63-L67 PolarHBondContact O-N 2.99Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.28Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 WeakPolarHBondContact O-CA 3.23Å; L67-T70 PolarHBondContact O-N 2.72Å; L67-T70 PolarHBondContact O-OG1 3.2Å; L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 3.27Å |
| 68 | K | 95.9 | Very high | 94.7 | Very high | 82 Ų | 82 | 100.1 Ų | 100.1 | 36% | 0.357 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.2 | -36.7 | 174.1 | -171.4 | -174.9 | -175.8 | -172.9 | 0 | 112.4 | E42 K64 E71 Y72 | E42-K68 WeakPolarHBondContact OE2-CD 3.47Å; E42-K68 IonicContact OE2-NZ 3.16Å; E42-K68 PolarHBondContact OE2-NZ 3.42Å; K64-K68 WeakPolarHBondContact O-CB 3.42Å; K64-K68 PolarHBondContact O-N 2.63Å; K68-E71 PolarHBondContact O-N 2.98Å; K68-Y72 HydrophobicContact CG-CE2 4.24Å; K68-Y72 WeakPolarHBondContact O-CD2 3.43Å |
| 69 | Y | 95.9 | Very high | 94.6 | Very high | 163 Ų | 163 | 106 Ų | 106 | 64% | 0.639 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 173.5 | 176.7 | -93.1 | 0 | 0 | 0 | 111.9 | V65 L66 L67 E71 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.25Å; V65-Y69 PolarHBondContact O-N 3.21Å; L66-Y69 WeakPolarHBondContact O-CB 3.36Å; L66-Y69 PolarHBondContact O-N 2.94Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.28Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.41Å; Y69-Y72 PolarHBondContact O-N 3.04Å |
| 70 | T | 95.1 | Very high | 94.6 | Very high | 102 Ų | 102 | 107.8 Ų | 107.8 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -72.5 | -17 | 176.1 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | L66 L67 Y72 | L66-T70 PolarHBondContact O-N 3.03Å; L66-T70 PolarHBondContact O-OG1 2.85Å; L67-T70 WeakPolarHBondContact CA-OG1 3.46Å; L67-T70 CarbonylContact O-C 3.59Å; L67-T70 WeakPolarHBondContact O-CA 3.23Å; L67-T70 PolarHBondContact O-N 2.72Å; L67-T70 PolarHBondContact O-OG1 3.2Å; T70-Y72 VanDerWaalsContact C-N 3.34Å |
| 71 | E | 94.1 | Very high | 94.5 | Very high | 126 Ų | 126 | 110.7 Ų | 110.7 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -14.2 | 172.8 | -70.2 | 169.4 | 175.7 | 0 | 0 | 113.1 | L67 K68 Y69 | L67-E71 WeakPolarHBondContact O-CG 3.35Å; L67-E71 PolarHBondContact O-N 3.27Å; K68-E71 PolarHBondContact O-N 2.98Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 3.41Å |
| 72 | Y | 90.9 | Very high | 94.5 | Very high | 159 Ų | 159 | 110.3 Ų | 110.3 | 62% | 0.624 | 55% | 0.551 | S | S | * | * | | | trans | -106.7 | 110.1 | -177.4 | -81.8 | -118.6 | 0 | 0 | 0 | 110.6 | K68 Y69 T70 E74 | K68-Y72 HydrophobicContact CG-CE2 4.24Å; K68-Y72 WeakPolarHBondContact O-CD2 3.43Å; Y69-Y72 PolarHBondContact O-N 3.04Å; T70-Y72 VanDerWaalsContact C-N 3.34Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 2.98Å |
| 73 | N | 79.2 | Confident | 94.4 | Very high | 170 Ų | 170 | 111.7 Ų | 111.7 | 91% | 0.909 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -64.2 | -28.6 | -174.9 | -67.1 | -18.5 | 0 | 0 | 0 | 114.5 | | |
| 74 | E | 88.6 | Confident | 94.3 | Very high | 163 Ų | 163 | 110.1 Ų | 110.1 | 76% | 0.762 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -147.3 | 131.7 | -176.3 | -167.2 | 169.7 | -165.4 | 0 | 0 | 111.1 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 2.98Å |
| 75 | P | 91.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 108.4 Ų | 108.4 | 46% | 0.461 | 55% | 0.548 | S | S | . | . | | | trans | -78.7 | 134 | 178.4 | 31.5 | -34.8 | 0 | 0 | 0 | 111.8 | E77 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.34Å |
| 76 | H | 92.1 | Very high | 94 | Very high | 203 Ų | 203 | 112.7 Ų | 112.7 | 94% | 0.94 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -59.8 | -34.1 | 179 | -179.5 | 63.3 | 0 | 0 | 0 | 113.8 | | |
| 77 | E | 94.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 112.1 Ų | 112.1 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -135.5 | 130.8 | 166.4 | -177.4 | 173.9 | -158.8 | 0 | 0 | 108.8 | P75 R79 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.34Å; E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE1-CZ 2.81Å; E77-R79 IonicContact OE1-NE 3.19Å; E77-R79 PolarHBondContact OE1-NE 2.93Å; E77-R79 IonicContact OE1-NH2 2.73Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å |
| 78 | S | 94.5 | Very high | 93.6 | Very high | 84 Ų | 84 | 111 Ų | 111 | 59% | 0.587 | 56% | 0.56 | S | S | * | * | | | trans | -119.8 | 139.8 | 171.1 | -173 | 0 | 0 | 0 | 0 | 109.4 | | |
| 79 | R | 96.3 | Very high | 93.4 | Very high | 144 Ų | 144 | 114.1 Ų | 114.1 | 54% | 0.543 | 57% | 0.569 | S | S | . | * | | | trans | -141.6 | 134.8 | -178.6 | -66.9 | -64.1 | 179.6 | -158.5 | -6.6 | 111.2 | E77 D83 | E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE1-CZ 2.81Å; E77-R79 IonicContact OE1-NE 3.19Å; E77-R79 PolarHBondContact OE1-NE 2.93Å; E77-R79 IonicContact OE1-NH2 2.73Å; E77-R79 PolarHBondContact OE1-NH2 3.45Å; R79-D83 IonicContact NH1-OD1 3.62Å; R79-D83 PolarHBondContact NH1-OD1 2.96Å |
| 80 | T | 97.6 | Very high | 93.1 | Very high | 72 Ų | 72 | 115 Ų | 115 | 44% | 0.442 | 58% | 0.576 | S | S | . | * | | | trans | -112.6 | -179.6 | 174.3 | 76.8 | 0 | 0 | 0 | 0 | 110.8 | S82 D83 I84 | T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.98Å; T80-S82 PolarHBondContact OG1-N 3.4Å; T80-S82 PolarHBondContact OG1-OG 3.26Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.22Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.37Å; T80-D83 PolarHBondContact OG1-OD2 2.6Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.91Å |
| 81 | N | 96.7 | Very high | 92.7 | Very high | 139 Ų | 139 | 117 Ų | 117 | 74% | 0.743 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -62.6 | -29.5 | 175 | -69.8 | -26.1 | 0 | 0 | 0 | 113 | V85 | N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.77Å; N81-V85 VanDerWaalsContact O-N 3.09Å |
| 82 | S | 96.6 | Very high | 91.4 | Very high | 81 Ų | 81 | 114 Ų | 114 | 57% | 0.566 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71 | -43.5 | 178.3 | 42.5 | 0 | 0 | 0 | 0 | 112 | T80 I84 V85 E86 | T80-S82 VanDerWaalsContact C-N 3.25Å; T80-S82 PolarHBondContact O-N 2.98Å; T80-S82 PolarHBondContact OG1-N 3.4Å; T80-S82 PolarHBondContact OG1-OG 3.26Å; S82-I84 VanDerWaalsContact C-N 3.26Å; S82-I84 PolarHBondContact O-N 3.08Å; S82-V85 PolarHBondContact O-N 3.12Å; S82-E86 WeakPolarHBondContact O-CB 3.5Å; S82-E86 PolarHBondContact O-N 2.71Å |
| 83 | D | 96 | Very high | 90 | Very high | 45 Ų | 45 | 112.1 Ų | 112.1 | 24% | 0.241 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -56.5 | -42.3 | 175.7 | -55.1 | -102.7 | 0 | 0 | 0 | 111.9 | R79 T80 T87 | R79-D83 IonicContact NH1-OD1 3.62Å; R79-D83 PolarHBondContact NH1-OD1 2.96Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.22Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.37Å; T80-D83 PolarHBondContact OG1-OD2 2.6Å; D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.47Å; D83-T87 PolarHBondContact O-N 2.92Å; D83-T87 PolarHBondContact O-OG1 2.87Å |
| 84 | I | 95.6 | Very high | 88.7 | Confident | 86 Ų | 86 | 108 Ų | 108 | 44% | 0.441 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.5 | -44.2 | -179.8 | -64.2 | 166.8 | 0 | 0 | 0 | 110.2 | T80 S82 T87 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 2.91Å; S82-I84 VanDerWaalsContact C-N 3.26Å; S82-I84 PolarHBondContact O-N 3.08Å; I84-T87 PolarHBondContact O-N 3.47Å; I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.46Å |
| 85 | V | 94.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 102.7 Ų | 102.7 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.9 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | N81 S82 L88 R89 | N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.77Å; N81-V85 VanDerWaalsContact O-N 3.09Å; S82-V85 PolarHBondContact O-N 3.12Å; V85-L88 PolarHBondContact O-N 3.36Å; V85-R89 WeakPolarHBondContact O-CG 3.28Å; V85-R89 PolarHBondContact O-N 2.99Å |
| 86 | E | 94.5 | Very high | 85.3 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 51% | 0.505 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.7 | -45.5 | 174.7 | -165.7 | -169.6 | 132.8 | 0 | 0 | 111.9 | S82 L88 R89 K90 | S82-E86 WeakPolarHBondContact O-CB 3.5Å; S82-E86 PolarHBondContact O-N 2.71Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; E86-R89 WeakPolarHBondContact O-CB 3.3Å; E86-R89 PolarHBondContact O-N 2.81Å; E86-R89 VanDerWaalsContact O-N 3.17Å; E86-K90 WeakPolarHBondContact O-CB 3.31Å; E86-K90 PolarHBondContact O-N 2.85Å |
| 87 | T | 93.4 | Very high | 82.9 | Confident | 55 Ų | 55 | 101.2 Ų | 101.2 | 34% | 0.337 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.6 | -35.6 | 176.4 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | D83 I84 K91 | D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.47Å; D83-T87 PolarHBondContact O-N 2.92Å; D83-T87 PolarHBondContact O-OG1 2.87Å; I84-T87 PolarHBondContact O-N 3.47Å; T87-K91 HydrophobicContact CG2-CD 3.97Å; T87-K91 WeakPolarHBondContact O-CB 3.14Å; T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.49Å; T87-K91 PolarHBondContact O-N 2.97Å |
| 88 | L | 91.7 | Very high | 80.5 | Confident | 76 Ų | 76 | 100.2 Ų | 100.2 | 40% | 0.398 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -71.5 | -41.1 | 175.8 | -72 | 168.7 | 0 | 0 | 0 | 112.5 | I84 V85 E86 L93 | I84-L88 HydrophobicContact CG2-CD1 4.12Å; I84-L88 VanDerWaalsContact O-CG 3.26Å; I84-L88 WeakPolarHBondContact O-CG 3.43Å; I84-L88 PolarHBondContact O-N 3.46Å; V85-L88 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.25Å; E86-L88 PolarHBondContact O-N 2.81Å; L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4.15Å; L88-L93 PolarHBondContact O-N 3.37Å |
| 89 | R | 90.9 | Very high | 78.4 | Confident | 148 Ų | 148 | 102 Ų | 102 | 56% | 0.558 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -59 | -55.2 | 171.7 | -72.5 | -175.5 | -63.7 | -172.1 | 5.1 | 111 | V85 E86 K91 G92 | V85-R89 WeakPolarHBondContact O-CG 3.28Å; V85-R89 PolarHBondContact O-N 2.99Å; E86-R89 WeakPolarHBondContact O-CB 3.3Å; E86-R89 PolarHBondContact O-N 2.81Å; E86-R89 VanDerWaalsContact O-N 3.17Å; R89-K91 PolarHBondContact O-N 3.42Å; R89-K91 VanDerWaalsContact O-N 3.16Å; R89-G92 PolarHBondContact O-N 3.44Å |
| 90 | K | 90.8 | Very high | 75.6 | Confident | 181 Ų | 181 | 101.6 Ų | 101.6 | 79% | 0.787 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.5 | -26.9 | -176.9 | -172.6 | 170.3 | -175.9 | 170.6 | 0 | 113.8 | E86 G92 | E86-K90 WeakPolarHBondContact O-CB 3.31Å; E86-K90 PolarHBondContact O-N 2.85Å; K90-G92 VanDerWaalsContact C-N 3.33Å |
| 91 | K | 85.2 | Confident | 73.4 | Confident | 145 Ų | 145 | 103.6 Ų | 103.6 | 63% | 0.63 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 5.4 | 177.2 | -72.3 | 176.8 | 179 | 176.4 | 0 | 114.2 | T87 R89 L93 | T87-K91 HydrophobicContact CG2-CD 3.97Å; T87-K91 WeakPolarHBondContact O-CB 3.14Å; T87-K91 VanDerWaalsContact O-CG 3.26Å; T87-K91 WeakPolarHBondContact O-CG 3.49Å; T87-K91 PolarHBondContact O-N 2.97Å; R89-K91 PolarHBondContact O-N 3.42Å; R89-K91 VanDerWaalsContact O-N 3.16Å; K91-L93 HydrophobicContact CB-CD1 4.05Å; K91-L93 HydrophobicContact CB-CG 4.04Å; K91-L93 PolarHBondContact O-N 2.84Å; K91-L93 VanDerWaalsContact O-N 3.11Å |
| 92 | G | 68.2 | Low | 71.2 | Confident | 64 Ų | 64 | 104.1 Ų | 104.1 | 66% | 0.66 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.6 | 12 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R89 K90 N94 | R89-G92 PolarHBondContact O-N 3.44Å; K90-G92 VanDerWaalsContact C-N 3.33Å; G92-N94 PolarHBondContact O-N 3.49Å |
| 93 | L | 60.9 | Low | 68.9 | Low | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 60% | 0.602 | S | S | * | * | | | trans | -78.8 | -5.6 | -177.4 | -64.9 | 174.7 | 0 | 0 | 0 | 112.6 | L88 K91 G95 | L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4.15Å; L88-L93 PolarHBondContact O-N 3.37Å; K91-L93 HydrophobicContact CB-CD1 4.05Å; K91-L93 HydrophobicContact CB-CG 4.04Å; K91-L93 PolarHBondContact O-N 2.84Å; K91-L93 VanDerWaalsContact O-N 3.11Å; L93-G95 PolarHBondContact O-N 2.97Å |
| 94 | N | 52.8 | Low | 66.6 | Low | 84 Ų | 84 | 110.4 Ų | 110.4 | 45% | 0.449 | 63% | 0.631 | S | S | . | * | | | trans | -72 | 65.4 | 170.3 | -82.3 | 30.8 | 0 | 0 | 0 | 111.6 | G92 C96 | G92-N94 PolarHBondContact O-N 3.49Å; N94-C96 PolarHBondContact O-N 3.38Å |
| 95 | G | 58.3 | Low | 64.3 | Low | 50 Ų | 50 | 112.7 Ų | 112.7 | 52% | 0.515 | 64% | 0.644 | S | S | . | * | | | trans | -71.6 | 63.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | K5 L93 | K5-G95 PolarHBondContact NZ-O 2.98Å; L93-G95 PolarHBondContact O-N 2.97Å |
| 96 | C | 50.3 | Low | 62.1 | Low | 96 Ų | 96 | 114.1 Ų | 114.1 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | | | trans | -178.8 | 91.9 | 150.5 | 52.6 | 0 | 0 | 0 | 0 | 108.6 | N94 | N94-C96 PolarHBondContact O-N 3.38Š|
| 97 | D | 41.7 | Very low | 60 | Low | 147 Ų | 147 | 115.9 Ų | 115.9 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | | | trans | -126.8 | 111.3 | 164.6 | -146.7 | 52.6 | 0 | 0 | 0 | 106.3 | | |
| 98 | S | 44.4 | Very low | 57.5 | Low | 104 Ų | 104 | 116.7 Ų | 116.7 | 73% | 0.727 | 70% | 0.695 | S | S | * | * | | | trans | -83 | 134.5 | 162.1 | -67.1 | 0 | 0 | 0 | 0 | 105.9 | D100 | S98-D100 PolarHBondContact O-N 3.42Š|
| 99 | P | 50.5 | Low | 55 | Low | 123 Ų | 123 | 121.6 Ų | 121.6 | 80% | 0.799 | 72% | 0.716 | S | S | * | * | | | trans | -63.1 | 112.6 | 173.2 | 26.5 | -32.8 | 0 | 0 | 0 | 109 | | |
| 100 | D | 37.7 | Very low | 52.6 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 72% | 0.722 | 71% | 0.714 | S | S | * | * | | | trans | -87 | 112.1 | 172.7 | -158.8 | 9.6 | 0 | 0 | 0 | 107.5 | S98 D102 | S98-D100 PolarHBondContact O-N 3.42Å; D100-D102 VanDerWaalsContact C-N 3.26Å; D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.09Å |
| 101 | P | 51.3 | Low | 50.6 | Low | 113 Ų | 113 | 114.9 Ų | 114.9 | 73% | 0.734 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -87 | 28.5 | -159 | 36.3 | -38.3 | 0 | 0 | 0 | 114.8 | | |
| 102 | D | 50.5 | Low | 48.8 | Very low | 150 Ų | 150 | 116.1 Ų | 116.1 | 80% | 0.802 | 72% | 0.719 | S | S | * | * | | | trans | -127.6 | 28.9 | -173.2 | -77.7 | -61.6 | 0 | 0 | 0 | 113.3 | D100 | D100-D102 VanDerWaalsContact C-N 3.26Å; D100-D102 PolarHBondContact O-N 2.9Å; D100-D102 VanDerWaalsContact O-N 3.09Å |
| 103 | A | 48.6 | Very low | 48.1 | Very low | 100 Ų | 100 | 115 Ų | 115 | 83% | 0.826 | 70% | 0.701 | S | S | * | * | | | trans | -100.4 | 83.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 104 | D | 47.6 | Very low | 47.8 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | | | trans | -75.4 | 153.4 | 177.5 | -166 | 20.4 | 0 | 0 | 0 | 113.5 | | |
| 105 | D | 47.8 | Very low | 48.1 | Very low | 133 Ų | 133 | 116.1 Ų | 116.1 | 71% | 0.711 | 70% | 0.704 | S | S | * | * | | | trans | 23.4 | 103.4 | 171.3 | -155.3 | 8.3 | 0 | 0 | 0 | 120.7 | | |
| 106 | S | 47.7 | Very low | 47.9 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | -172.4 | 119.9 | 130.2 | -87.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 107 | V | 50.6 | Low | 48.1 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | S | Bend | trans | 53.7 | 94.8 | 144.7 | -169.4 | 0 | 0 | 0 | 0 | 117.6 | | |
| 108 | G | 39.9 | Very low | 49.3 | Very low | 72 Ų | 72 | 124 Ų | 124 | 74% | 0.742 | 70% | 0.699 | S | S | * | * | | | trans | -178.9 | 11.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 109 | H | 40.2 | Very low | 50.3 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | | | trans | -88.6 | 136.3 | -174.3 | -78 | -67.5 | 0 | 0 | 0 | 114.8 | | |
| 110 | S | 40.3 | Very low | 51.2 | Low | 76 Ų | 76 | 125.1 Ų | 125.1 | 53% | 0.531 | 68% | 0.682 | S | S | . | * | | | trans | -76.2 | 148.9 | 177 | -170.5 | 0 | 0 | 0 | 0 | 111.2 | E112 S113 | S110-E112 VanDerWaalsContact C-N 3.26Å; S110-E112 PolarHBondContact O-N 3.24Å; S110-E112 VanDerWaalsContact O-N 3.09Å; S110-S113 PolarHBondContact O-N 3.19Å; S110-S113 PolarHBondContact O-OG 3.39Å |
| 111 | P | 48.7 | Very low | 52.8 | Low | 111 Ų | 111 | 123.5 Ų | 123.5 | 72% | 0.721 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -56.3 | -31 | -172.5 | -28.5 | 36.5 | 0 | 0 | 0 | 115.8 | S113 E114 | P111-S113 VanDerWaalsContact C-N 3.27Å; P111-S113 PolarHBondContact O-N 2.87Å; P111-E114 PolarHBondContact O-N 2.93Å |
| 112 | E | 46.5 | Very low | 53.9 | Low | 171 Ų | 171 | 124 Ų | 124 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | G | 310 helix | trans | -71.4 | -10.6 | -173.4 | -63.2 | -176.5 | 107.8 | 0 | 0 | 115.4 | S110 | S110-E112 VanDerWaalsContact C-N 3.26Å; S110-E112 PolarHBondContact O-N 3.24Å; S110-E112 VanDerWaalsContact O-N 3.09Å |
| 113 | S | 54.8 | Low | 54.9 | Low | 40 Ų | 40 | 121.6 Ų | 121.6 | 28% | 0.28 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -83 | -23.7 | 178.4 | 44.9 | 0 | 0 | 0 | 0 | 114.4 | S110 P111 K116 Y117 | S110-S113 PolarHBondContact O-N 3.19Å; S110-S113 PolarHBondContact O-OG 3.39Å; P111-S113 VanDerWaalsContact C-N 3.27Å; P111-S113 PolarHBondContact O-N 2.87Å; S113-K116 PolarHBondContact O-N 3.22Å; S113-Y117 WeakPolarHBondContact O-CD2 3.17Å |
| 114 | E | 53.2 | Low | 56.1 | Low | 116 Ų | 116 | 120.9 Ų | 120.9 | 54% | 0.542 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -72.2 | -42.4 | -167 | -156.1 | -174.7 | 119.7 | 0 | 0 | 113.1 | P111 K116 Y117 R118 | P111-E114 PolarHBondContact O-N 2.93Å; E114-K116 PolarHBondContact O-N 3.25Å; E114-Y117 PolarHBondContact O-N 3.06Å; E114-Y117 VanDerWaalsContact O-N 3.15Å; E114-R118 PolarHBondContact O-N 2.8Å; E114-R118 IonicContact OE1-CZ 3.71Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å |
| 115 | D | 59.2 | Low | 57.4 | Low | 111 Ų | 111 | 117.9 Ų | 117.9 | 59% | 0.594 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.9 | -30.5 | 178.7 | -70.2 | -48.5 | 0 | 0 | 0 | 113 | K119 | D115-K119 VanDerWaalsContact O-CB 3.3Å; D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.13Å; D115-K119 VanDerWaalsContact O-N 3.15Å |
| 116 | K | 55.2 | Low | 58.6 | Low | 160 Ų | 160 | 117 Ų | 117 | 70% | 0.696 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.7 | -44.2 | 176 | -92.2 | -179 | 175.2 | 171.5 | 0 | 112.2 | S113 E114 I120 | S113-K116 PolarHBondContact O-N 3.22Å; E114-K116 PolarHBondContact O-N 3.25Å; K116-I120 WeakPolarHBondContact O-CD1 3.31Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.43Å |
| 117 | Y | 54.9 | Low | 59.8 | Low | 164 Ų | 164 | 117.1 Ų | 117.1 | 64% | 0.643 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.4 | -41.2 | 178.8 | -74.5 | -73.5 | 0 | 0 | 0 | 111.8 | S113 E114 K119 I120 N121 | S113-Y117 WeakPolarHBondContact O-CD2 3.17Å; E114-Y117 PolarHBondContact O-N 3.06Å; E114-Y117 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.71Å; Y117-I120 PolarHBondContact O-N 2.83Å; Y117-N121 PolarHBondContact O-N 3.29Å |
| 118 | R | 64.9 | Low | 60.9 | Low | 135 Ų | 135 | 113.8 Ų | 113.8 | 51% | 0.509 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -53.9 | -46.1 | 175.5 | -163.9 | -179.4 | -64.8 | -162.3 | 2.6 | 111.5 | E114 I120 N121 E122 | E114-R118 PolarHBondContact O-N 2.8Å; E114-R118 IonicContact OE1-CZ 3.71Å; E114-R118 IonicContact OE1-NH2 2.66Å; E114-R118 PolarHBondContact OE1-NH2 3.14Å; R118-I120 PolarHBondContact O-N 3.29Å; R118-N121 PolarHBondContact O-N 3.22Å; R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.77Å; R118-E122 VanDerWaalsContact O-N 3.13Å |
| 119 | K | 66.7 | Low | 62.3 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 69% | 0.691 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.6 | -23.8 | 178.6 | -164.8 | 161.6 | -170.8 | 165.3 | 0 | 114.7 | D115 Y117 D123 | D115-K119 VanDerWaalsContact O-CB 3.3Å; D115-K119 WeakPolarHBondContact O-CB 3.36Å; D115-K119 PolarHBondContact O-N 3.13Å; D115-K119 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.71Å; K119-D123 PolarHBondContact O-N 2.93Å |
| 120 | I | 69.7 | Low | 63.6 | Low | 92 Ų | 92 | 114.8 Ų | 114.8 | 47% | 0.472 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -76.9 | -41.2 | 172.9 | -70 | 163.7 | 0 | 0 | 0 | 110.4 | K116 Y117 R118 D123 I124 | K116-I120 WeakPolarHBondContact O-CD1 3.31Å; K116-I120 VanDerWaalsContact O-CG1 3.29Å; K116-I120 WeakPolarHBondContact O-CG1 3.36Å; K116-I120 PolarHBondContact O-N 3.43Å; Y117-I120 PolarHBondContact O-N 2.83Å; R118-I120 PolarHBondContact O-N 3.29Å; I120-D123 PolarHBondContact O-N 3.38Å; I120-I124 HydrophobicContact CG2-CD1 3.85Å; I120-I124 WeakPolarHBondContact O-CG1 3.43Å; I120-I124 PolarHBondContact O-N 3.48Å |
| 121 | N | 70.7 | Confident | 64.4 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.8 | -45.2 | 175.4 | -96 | 60.1 | 0 | 0 | 0 | 112.2 | Y117 R118 D123 I124 D125 | Y117-N121 PolarHBondContact O-N 3.29Å; R118-N121 PolarHBondContact O-N 3.22Å; N121-D123 VanDerWaalsContact C-N 3.31Å; N121-D123 PolarHBondContact O-N 2.82Å; N121-I124 PolarHBondContact O-N 3.21Å; N121-D125 PolarHBondContact O-N 3.27Å |
| 122 | E | 74.1 | Confident | 64.9 | Low | 124 Ų | 124 | 122.3 Ų | 122.3 | 58% | 0.579 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.5 | -41.5 | 176.1 | -73.5 | 172.1 | -165.2 | 0 | 0 | 112.4 | R118 L126 | R118-E122 WeakPolarHBondContact O-CG 3.4Å; R118-E122 PolarHBondContact O-N 2.77Å; R118-E122 VanDerWaalsContact O-N 3.13Å; E122-L126 VanDerWaalsContact O-CB 3.25Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 PolarHBondContact O-N 3.19Å |
| 123 | D | 71.4 | Confident | 65.2 | Low | 99 Ų | 99 | 121.7 Ų | 121.7 | 53% | 0.529 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71.2 | -34.1 | 180 | -149.2 | 40.6 | 0 | 0 | 0 | 112 | K119 I120 N121 M127 | K119-D123 PolarHBondContact O-N 2.93Å; I120-D123 PolarHBondContact O-N 3.38Å; N121-D123 VanDerWaalsContact C-N 3.31Å; N121-D123 PolarHBondContact O-N 2.82Å; D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 2.72Å |
| 124 | I | 74.4 | Confident | 64.9 | Low | 84 Ų | 84 | 124.6 Ų | 124.6 | 43% | 0.431 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.3 | -48.9 | 173.4 | -70.3 | 169 | 0 | 0 | 0 | 111.2 | I120 N121 L126 M127 I128 | I120-I124 HydrophobicContact CG2-CD1 3.85Å; I120-I124 WeakPolarHBondContact O-CG1 3.43Å; I120-I124 PolarHBondContact O-N 3.48Å; N121-I124 PolarHBondContact O-N 3.21Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.04Å; I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 PolarHBondContact O-N 2.94Å; I124-M127 VanDerWaalsContact O-N 3.14Å; I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.79Å |
| 125 | D | 74.3 | Confident | 64.4 | Low | 96 Ų | 96 | 127 Ų | 127 | 51% | 0.513 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -35.4 | 178.6 | -84.7 | -30.6 | 0 | 0 | 0 | 111.8 | N121 S129 | N121-D125 PolarHBondContact O-N 3.27Å; D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.5Å; D125-S129 PolarHBondContact O-OG 3.35Å |
| 126 | L | 73.8 | Confident | 63.8 | Low | 116 Ų | 116 | 126.2 Ų | 126.2 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 172.3 | -168.3 | 68 | 0 | 0 | 0 | 111.4 | E122 I124 S129 R130 | E122-L126 VanDerWaalsContact O-CB 3.25Å; E122-L126 WeakPolarHBondContact O-CB 3.43Å; E122-L126 PolarHBondContact O-N 3.19Å; I124-L126 VanDerWaalsContact C-N 3.3Å; I124-L126 PolarHBondContact O-N 3.04Å; L126-S129 PolarHBondContact O-N 2.63Å; L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 PolarHBondContact O-N 2.88Å |
| 127 | M | 72.5 | Confident | 63.5 | Low | 109 Ų | 109 | 124.1 Ų | 124.1 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.9 | -42.5 | 177.2 | -161.4 | -179.6 | -52.8 | 0 | 0 | 112.4 | D123 I124 R130 Q131 | D123-M127 WeakPolarHBondContact O-CB 3.19Å; D123-M127 PolarHBondContact O-N 2.72Å; I124-M127 WeakPolarHBondContact O-CB 3.37Å; I124-M127 PolarHBondContact O-N 2.94Å; I124-M127 VanDerWaalsContact O-N 3.14Å; M127-R130 PolarHBondContact O-N 2.98Å; M127-Q131 WeakPolarHBondContact O-CG 3.48Å; M127-Q131 PolarHBondContact O-N 2.97Å |
| 128 | I | 73.9 | Confident | 63 | Low | 75 Ų | 75 | 121.7 Ų | 121.7 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.5 | -44.7 | 175 | -69 | 166.5 | 0 | 0 | 0 | 110.5 | I124 R130 Q131 R132 | I124-I128 HydrophobicContact CG2-CD1 3.76Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.49Å; I124-I128 PolarHBondContact O-N 2.79Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 2.96Å; I128-Q131 PolarHBondContact O-N 2.97Å; I128-R132 PolarHBondContact O-N 2.84Å; I128-R132 VanDerWaalsContact O-N 3.09Å |
| 129 | S | 69.3 | Low | 62 | Low | 74 Ų | 74 | 121.3 Ų | 121.3 | 52% | 0.517 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -60.6 | -39.2 | 176.4 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | D125 L126 R132 | D125-S129 VanDerWaalsContact O-CB 3.25Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 3.5Å; D125-S129 PolarHBondContact O-OG 3.35Å; L126-S129 PolarHBondContact O-N 2.63Å; S129-R132 PolarHBondContact O-N 3.22Å |
| 130 | R | 66.7 | Low | 60.6 | Low | 198 Ų | 198 | 118.8 Ų | 118.8 | 75% | 0.747 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.4 | -30.3 | 177.5 | -156.2 | 175.4 | -161.2 | -78.3 | 0.7 | 113.4 | L126 M127 I128 | L126-R130 WeakPolarHBondContact O-CB 3.32Å; L126-R130 PolarHBondContact O-N 2.88Å; M127-R130 PolarHBondContact O-N 2.98Å; I128-R130 VanDerWaalsContact C-N 3.28Å; I128-R130 PolarHBondContact O-N 2.96Å |
| 131 | Q | 58.3 | Low | 59.2 | Low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -72.7 | -40.3 | 173.4 | -73.3 | -178.8 | 1.2 | 0 | 0 | 112.3 | M127 I128 L133 C134 | M127-Q131 WeakPolarHBondContact O-CG 3.48Å; M127-Q131 PolarHBondContact O-N 2.97Å; I128-Q131 PolarHBondContact O-N 2.97Å; Q131-L133 PolarHBondContact O-N 2.99Å; Q131-L133 VanDerWaalsContact O-N 3.17Å; Q131-C134 PolarHBondContact O-N 3Å |
| 132 | R | 58.3 | Low | 57.5 | Low | 211 Ų | 211 | 127.5 Ų | 127.5 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.1 | -21.2 | -179.3 | -76.8 | -169.6 | 175.8 | -173.5 | 1.3 | 114.4 | I128 S129 C134 | I128-R132 PolarHBondContact O-N 2.84Å; I128-R132 VanDerWaalsContact O-N 3.09Å; S129-R132 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact C-N 3.34Å |
| 133 | L | 53.4 | Low | 55.5 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -9.1 | 179.6 | -138.8 | 75 | 0 | 0 | 0 | 114.6 | Q131 | Q131-L133 PolarHBondContact O-N 2.99Å; Q131-L133 VanDerWaalsContact O-N 3.17Å |
| 134 | C | 47.5 | Very low | 54 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -13 | -174.2 | -67.3 | 0 | 0 | 0 | 0 | 114.9 | Q131 R132 A136 | Q131-C134 PolarHBondContact O-N 3Å; R132-C134 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 3.24Å |
| 135 | Q | 43.8 | Very low | 52.7 | Low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | | | trans | -93.6 | 61 | -169.1 | -160.3 | 67.5 | 28.6 | 0 | 0 | 113.1 | | |
| 136 | A | 45.7 | Very low | 51.3 | Low | 95 Ų | 95 | 134.5 Ų | 134.5 | 79% | 0.785 | 72% | 0.717 | S | S | * | * | | | trans | -111.9 | 52.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C134 | C134-A136 PolarHBondContact O-N 3.24Š|
| 137 | V | 49.6 | Very low | 49.6 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 70% | 0.703 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -138.1 | 132.3 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 138 | P | 44.1 | Very low | 48.2 | Very low | 112 Ų | 112 | 136.2 Ų | 136.2 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 150.3 | -176.3 | 30.4 | -35.8 | 0 | 0 | 0 | 112.9 | | |
| 139 | P | 44.4 | Very low | 46.6 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 128.9 | 179.3 | 30.4 | -33.9 | 0 | 0 | 0 | 111.8 | | |
| 140 | S | 35.8 | Very low | 45 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 137.3 | 167.4 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 141 | N | 41 | Very low | 43.4 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 131.3 | 169.5 | -74.2 | -96.7 | 0 | 0 | 0 | 109.2 | | |
| 142 | Y | 35.1 | Very low | 42.2 | Very low | 227 Ų | 227 | 138.2 Ų | 138.2 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -150.5 | 133.3 | 143.8 | -90.1 | -63.6 | 0 | 0 | 0 | 110.3 | | |
| 143 | D | 33.2 | Very low | 41.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | -102.8 | 152.6 | 178.5 | -169.9 | 4.8 | 0 | 0 | 0 | 109.6 | | |
| 144 | M | 39.4 | Very low | 40.2 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | trans | -141.1 | 98.2 | -173.4 | -83.9 | -64.2 | -61.4 | 0 | 0 | 111.7 | | |
| 145 | P | 47.8 | Very low | 39.4 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -80.3 | 139.5 | 179.7 | 31.7 | -34.1 | 0 | 0 | 0 | 112.4 | | |
| 146 | V | 43.2 | Very low | 39.2 | Very low | 135 Ų | 135 | 136.3 Ų | 136.3 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -121.6 | 113.3 | 166.7 | 177.7 | 0 | 0 | 0 | 0 | 109 | | |
| 147 | S | 38.7 | Very low | 38.7 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | | | trans | -88.3 | 136.2 | -174.4 | -52.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 148 | I | 43.3 | Very low | 37.8 | Very low | 149 Ų | 149 | 142.1 Ų | 142.1 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -123.2 | 128.6 | 165.7 | -58.5 | -179.8 | 0 | 0 | 0 | 108 | | |
| 149 | P | 40.5 | Very low | 37.1 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -75.9 | 156.3 | -172.3 | 29.9 | -35.6 | 0 | 0 | 0 | 114 | | |
| 150 | T | 34.7 | Very low | 36.5 | Very low | 137 Ų | 137 | 143.7 Ų | 143.7 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | | | trans | -104.6 | 146.7 | -168.6 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 151 | S | 34.3 | Very low | 37.1 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | trans | -147.8 | 105.7 | 142 | 57.8 | 0 | 0 | 0 | 0 | 109 | | |
| 152 | N | 33 | Very low | 36.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | | | | 69.1 | 127.1 | 96.2 | -102 | -14.4 | 0 | 0 | 0 | 113.5 | | |
| 153 | Q | 35.8 | Very low | 36.4 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | | | cis | -144 | 164.4 | 16.4 | -66.2 | -173.3 | -23.1 | 0 | 0 | 114.7 | | |
| 154 | N | 32.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | 87.2 | 135 | 151.9 | -142.6 | 6 | 0 | 0 | 0 | 118.9 | | |
| 155 | N | 32.3 | Very low | 36.4 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 65% | 0.647 | 78% | 0.781 | S | S | * | * | | | trans | -162.8 | 126.5 | -168.8 | 173.6 | 27.8 | 0 | 0 | 0 | 110.2 | | |
| 156 | L | 39.6 | Very low | 35.8 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | | | trans | -158.8 | 113.7 | 164.4 | -92.3 | 127.6 | 0 | 0 | 0 | 106.6 | | |
| 157 | I | 33.6 | Very low | 35.4 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 57% | 0.574 | 79% | 0.789 | S | S | * | * | | | cis | 99.4 | 115 | 38 | -67.4 | 168.6 | 0 | 0 | 0 | 111.8 | | |
| 158 | Y | 30.6 | Very low | 35.3 | Very low | 221 Ų | 221 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | 68.8 | 151.4 | 166.3 | -79 | -148 | 0 | 0 | 0 | 116.3 | | |
| 159 | S | 30.7 | Very low | 34.9 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | cis | -155.7 | 173.2 | -6 | -121.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 160 | H | 31 | Very low | 34.6 | Very low | 178 Ų | 178 | 138.3 Ų | 138.3 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | | | trans | -74.9 | 178.3 | 172.6 | -49 | -74.8 | 0 | 0 | 0 | 113 | | |
| 161 | P | 48.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | cis | -134.1 | 164.5 | -41.3 | 31.3 | -13.7 | 0 | 0 | 0 | 115 | | |
| 162 | G | 31.6 | Very low | 35.7 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 93.8 | 163.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 163 | G | 30.3 | Very low | 35.6 | Very low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 107.4 | 102.2 | 157.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 164 | S | 31.9 | Very low | 35.5 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 70.2 | 118.1 | 140.9 | -151.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 165 | L | 39.2 | Very low | 35.7 | Very low | 171 Ų | 171 | 137.5 Ų | 137.5 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | 33.5 | 116.6 | 131.7 | -52.7 | 174 | 0 | 0 | 0 | 119.9 | | |
| 166 | G | 35.3 | Very low | 35.6 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -171.5 | 79.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 167 | N | 34.7 | Very low | 35.2 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -80.7 | 126.5 | 170.5 | -115 | -11.7 | 0 | 0 | 0 | 110.5 | | |
| 168 | H | 37.6 | Very low | 35.5 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | | | trans | -168 | 125.3 | 138.2 | 44.1 | -81.5 | 0 | 0 | 0 | 112 | | |
| 169 | N | 33.7 | Very low | 35.8 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 83% | 0.829 | 82% | 0.818 | S | S | * | * | | | trans | -66.7 | 142.1 | 151.7 | -76.5 | -38.5 | 0 | 0 | 0 | 108.4 | | |
| 170 | L | 34.5 | Very low | 36 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | | -176 | 137.5 | 126.4 | -97.9 | 162.1 | 0 | 0 | 0 | 111.4 | | |
| 171 | L | 42.2 | Very low | 36.1 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -120.1 | 172.5 | 169.5 | -78.3 | 172.8 | 0 | 0 | 0 | 107.4 | | |
| 172 | P | 49.2 | Very low | 35.4 | Very low | 113 Ų | 113 | 140.1 Ų | 140.1 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | cis | -127.9 | -176.5 | -20.7 | 29.7 | -10.1 | 0 | 0 | 0 | 111.9 | | |
| 173 | L | 32.6 | Very low | 35.5 | Very low | 165 Ų | 165 | 145.4 Ų | 145.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -141.6 | 149.2 | 151.8 | -151.7 | 70.7 | 0 | 0 | 0 | 110.5 | | |
| 174 | A | 33 | Very low | 35.9 | Very low | 86 Ų | 86 | 147.1 Ų | 147.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | | | trans | -123 | 149.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 175 | H | 36.5 | Very low | 36.7 | Very low | 178 Ų | 178 | 148 Ų | 148 | 82% | 0.824 | 82% | 0.822 | S | S | * | * | | | trans | -142.2 | 146.5 | 168.5 | -83.4 | -74.6 | 0 | 0 | 0 | 112.2 | | |
| 176 | H | 30.7 | Very low | 36.3 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | | | trans | -94.6 | 154.3 | 174 | -72.6 | -114.2 | 0 | 0 | 0 | 111.1 | | |
| 177 | G | 31.9 | Very low | 36.4 | Very low | 80 Ų | 80 | 146.2 Ų | 146.2 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -168.5 | 102.2 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 178 | L | 39.4 | Very low | 36.3 | Very low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | trans | -81.5 | 150.9 | -174.6 | -65 | 164.4 | 0 | 0 | 0 | 113.6 | | |
| 179 | Q | 37.4 | Very low | 36.2 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 81% | 0.808 | 82% | 0.817 | S | S | * | * | | | trans | -147.5 | 164.5 | 142.7 | -103.1 | -56.2 | -8.5 | 0 | 0 | 112.3 | | |
| 180 | R | 33.3 | Very low | 36.4 | Very low | 204 Ų | 204 | 148.4 Ų | 148.4 | 77% | 0.77 | 82% | 0.819 | S | S | * | * | | | trans | -94.3 | 149.7 | -163.8 | -63.7 | 162 | 141.2 | -107.1 | 4.9 | 114.3 | | |
| 181 | N | 34.4 | Very low | 36.7 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | | -170.3 | 176.8 | 96.7 | -106.2 | -11.8 | 0 | 0 | 0 | 113.2 | | |
| 182 | S | 33.2 | Very low | 36.9 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | | | trans | -128.3 | 144.2 | -154.4 | 55.1 | 0 | 0 | 0 | 0 | 114.9 | | |
| 183 | M | 35.2 | Very low | 36.3 | Very low | 193 Ų | 193 | 145 Ų | 145 | 95% | 0.951 | 82% | 0.819 | S | S | * | * | | | trans | -165.6 | 161.1 | 136.4 | -105.9 | 167 | -171.3 | 0 | 0 | 110.6 | | |
| 184 | S | 37.3 | Very low | 36.6 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | | | trans | -133.6 | -175.3 | -166 | -53.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 185 | P | 50 | Low | 36.5 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | | -121.5 | 163.7 | -61.4 | 36.1 | -23.5 | 0 | 0 | 0 | 111.8 | | |
| 186 | G | 30.4 | Very low | 36.4 | Very low | 80 Ų | 80 | 136.6 Ų | 136.6 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | | | trans | -138.9 | 105.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 187 | V | 36.4 | Very low | 36.7 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -113.4 | 122.2 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 188 | T | 33.6 | Very low | 37 | Very low | 143 Ų | 143 | 139.2 Ų | 139.2 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | | | trans | -164.6 | 160.8 | 145.5 | 1.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 189 | H | 34.6 | Very low | 36.7 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | | | trans | -79.4 | 150.8 | -168.9 | -74.5 | -119.8 | 0 | 0 | 0 | 114.9 | | |
| 190 | R | 37.6 | Very low | 36.7 | Very low | 231 Ų | 231 | 130.5 Ų | 130.5 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | -33.7 | 127.4 | 155.4 | 178.9 | -167.9 | -168.8 | -162.5 | 6.2 | 114.1 | | |
| 191 | P | 42.2 | Very low | 36.6 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -89.7 | 149.3 | 173.2 | 35 | -34.4 | 0 | 0 | 0 | 113.4 | | |
| 192 | P | 45.3 | Very low | 36.7 | Very low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -129.1 | 138.8 | 154.6 | 36.3 | -23.9 | 0 | 0 | 0 | 112.6 | | |
| 193 | S | 36.7 | Very low | 36.7 | Very low | 129 Ų | 129 | 128.7 Ų | 128.7 | 90% | 0.902 | 81% | 0.807 | S | S | * | * | | | trans | -163.9 | 151.4 | 173.2 | -86.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 194 | A | 39.9 | Very low | 36.6 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | cis | -165.7 | 161.6 | -18.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 195 | G | 30.9 | Very low | 36.3 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 114.6 | 124.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 196 | G | 34.4 | Very low | 35.6 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | cis | 167 | 161.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 197 | L | 35.7 | Very low | 35.6 | Very low | 151 Ų | 151 | 123.4 Ų | 123.4 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | 79.8 | 124.8 | 169.1 | -53.4 | 178.6 | 0 | 0 | 0 | 118.7 | | |
| 198 | M | 39.3 | Very low | 35.4 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | 54.2 | 132.7 | 163.2 | -15.2 | -55.6 | -172 | 0 | 0 | 119.2 | | |
| 199 | G | 33.3 | Very low | 35.3 | Very low | 72 Ų | 72 | 122.3 Ų | 122.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | cis | 156 | 138.1 | -8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 200 | A | 36.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | 62.1 | 146.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 201 | D | 31.4 | Very low | 35.1 | Very low | 144 Ų | 144 | 112 Ų | 112 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | cis | -156.9 | 165.8 | -19.7 | -107.3 | -35.6 | 0 | 0 | 0 | 112.2 | | |
| 202 | L | 35.6 | Very low | 34.5 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | | | trans | -10.1 | 151.8 | 154.1 | -51.7 | 173.1 | 0 | 0 | 0 | 118.5 | | |
| 203 | T | 33.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | cis | -165.6 | 164.3 | 1.6 | 10.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 204 | T | 33.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 116.5 Ų | 116.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | | | trans | -24 | 145.6 | 152.4 | -37 | 0 | 0 | 0 | 0 | 118.1 | | |
| 205 | G | 31 | Very low | 33.2 | Very low | 78 Ų | 78 | 115.2 Ų | 115.2 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 163.8 | 141.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 206 | A | 35 | Very low | 33.4 | Very low | 111 Ų | 111 | 118 Ų | 118 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -136.4 | 141.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 207 | G | 30.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 122 Ų | 122 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | 146.4 | 121.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 208 | T | 32.3 | Very low | 33.4 | Very low | 133 Ų | 133 | 125 Ų | 125 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | 41 | 101.4 | 138.8 | 54.4 | 0 | 0 | 0 | 0 | 120.9 | | |
| 209 | S | 31.8 | Very low | 33.1 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | | 46.9 | 103.6 | 124.9 | 63.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 210 | A | 34.5 | Very low | 33.1 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | | | | -150.9 | 154.9 | 129.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 211 | G | 32.9 | Very low | 34.1 | Very low | 76 Ų | 76 | 127.2 Ų | 127.2 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -160.4 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 212 | N | 30.5 | Very low | 34 | Very low | 173 Ų | 173 | 124 Ų | 124 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | | | trans | -159.6 | 150.4 | 173.4 | -150.1 | 10.1 | 0 | 0 | 0 | 112.7 | | |
| 213 | G | 30.1 | Very low | 34 | Very low | 47 Ų | 47 | 125 Ų | 125 | 49% | 0.485 | 80% | 0.799 | S | S | . | * | | | trans | 105.1 | 84.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 214 | Y | 32.8 | Very low | 33.9 | Very low | 240 Ų | 240 | 127.1 Ų | 127.1 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | | | trans | 61.9 | 138.5 | 147.4 | -47.9 | -79.7 | 0 | 0 | 0 | 119.9 | | |
| 215 | G | 32.2 | Very low | 33.9 | Very low | 73 Ų | 73 | 127.4 Ų | 127.4 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | cis | -161.5 | 174.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 216 | N | 34.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -100.5 | 173.9 | -164.8 | -77.8 | -19.5 | 0 | 0 | 0 | 112.8 | | |
| 217 | H | 37.5 | Very low | 33.6 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -166.6 | 157 | -10.8 | -111.9 | -6 | 0 | 0 | 0 | 111.7 | | |
| 218 | R | 33.4 | Very low | 33.7 | Very low | 216 Ų | 216 | 130.3 Ų | 130.3 | 82% | 0.815 | 81% | 0.81 | S | S | * | * | | | trans | 32.9 | 142.3 | 141.8 | -87 | -173.7 | 164.7 | -177.2 | -4.4 | 125.3 | | |
| 219 | N | 33 | Very low | 33.7 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | | | trans | 93 | 145 | 136 | -83.6 | 48.2 | 0 | 0 | 0 | 122.8 | | |
| 220 | S | 32.2 | Very low | 33.9 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | | | trans | -100.8 | -168.3 | -176.3 | -22.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 221 | P | 58.9 | Low | 33.8 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | cis | -130.7 | -175.9 | -8.9 | 40 | -22.5 | 0 | 0 | 0 | 114.3 | | |
| 222 | G | 27.8 | Very low | 34.1 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -166.3 | 154 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 223 | L | 37.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -129 | 172.9 | 179.8 | -75.9 | 169.7 | 0 | 0 | 0 | 110.7 | | |
| 224 | L | 30.3 | Very low | 34.7 | Very low | 165 Ų | 165 | 140.8 Ų | 140.8 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 76.4 | 116 | 162.7 | -45.3 | 179.2 | 0 | 0 | 0 | 118.3 | | |
| 225 | V | 33.9 | Very low | 35.2 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | | -156.7 | 166.9 | 116.5 | 79.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 226 | S | 30.1 | Very low | 35.2 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | | | trans | -119.9 | 170.7 | -155.7 | -52.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 227 | S | 29.3 | Very low | 35.2 | Very low | 132 Ų | 132 | 142 Ų | 142 | 92% | 0.923 | 81% | 0.81 | S | S | * | * | | | trans | 79.1 | 124.6 | 148.8 | -59 | 0 | 0 | 0 | 0 | 119.5 | | |
| 228 | G | 31.7 | Very low | 35.3 | Very low | 87 Ų | 87 | 140 Ų | 140 | 90% | 0.897 | 81% | 0.814 | S | S | * | * | | | trans | -175.4 | 49.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 229 | G | 32.4 | Very low | 36.3 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | trans | -109.2 | 169.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 230 | M | 35.9 | Very low | 37.4 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | | | trans | 72 | 98.4 | 166.4 | 73.6 | 158.7 | 68.5 | 0 | 0 | 121.1 | | |
| 231 | N | 34.1 | Very low | 38.1 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | | | | 58.8 | 118.8 | 108.9 | -171.2 | 18.5 | 0 | 0 | 0 | 120.6 | | |
| 232 | K | 38.3 | Very low | 37.3 | Very low | 205 Ų | 205 | 137.1 Ų | 137.1 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | | -163.3 | 106.8 | 123 | -105.1 | 156.6 | -170.5 | 175.8 | 0 | 115.9 | | |
| 233 | N | 35.2 | Very low | 38 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 62% | 0.615 | 82% | 0.816 | S | S | * | * | | | trans | -25.1 | 143.2 | 156.6 | 173.8 | 72.2 | 0 | 0 | 0 | 119.4 | | |
| 234 | M | 38.5 | Very low | 38.1 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | -157.9 | 162.5 | 144.4 | -90.1 | -101.7 | 91.5 | 0 | 0 | 109.6 | | |
| 235 | Q | 42.5 | Very low | 38.3 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -116.5 | 151.3 | -159.4 | -59.2 | 168.8 | -27.6 | 0 | 0 | 115.2 | | |
| 236 | A | 32.4 | Very low | 38.6 | Very low | 94 Ų | 94 | 137.6 Ų | 137.6 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | | | trans | -160.4 | 116.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 237 | K | 34.3 | Very low | 38.9 | Very low | 216 Ų | 216 | 140.7 Ų | 140.7 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | | | trans | 52.2 | 130.1 | 147.3 | -60.4 | -178.4 | 178.7 | 179.6 | 0 | 121.6 | | |
| 238 | S | 40.5 | Very low | 39.6 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -147.4 | 142.7 | 165.5 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 239 | P | 52.9 | Low | 39.9 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -100.8 | 162.1 | 163.1 | 30.4 | -17.7 | 0 | 0 | 0 | 112.8 | | |
| 240 | P | 57.8 | Low | 40.4 | Very low | 109 Ų | 109 | 154.7 Ų | 154.7 | 71% | 0.708 | 82% | 0.816 | S | S | * | * | | | trans | -111.1 | 166.2 | -147.3 | 40.8 | -36.3 | 0 | 0 | 0 | 116.3 | | |
| 241 | P | 46.1 | Very low | 40.7 | Very low | 127 Ų | 127 | 152.1 Ų | 152.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -80.5 | 137.1 | 149.8 | 33.9 | -30.1 | 0 | 0 | 0 | 110.5 | | |
| 242 | M | 42.1 | Very low | 40.8 | Very low | 187 Ų | 187 | 150.5 Ų | 150.5 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | | | trans | -85.4 | 141.6 | 170.3 | -67.8 | -165.8 | -62.5 | 0 | 0 | 111.5 | | |
| 243 | N | 42.9 | Very low | 41.1 | Very low | 151 Ų | 151 | 149 Ų | 149 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -138.1 | 129.7 | 160.5 | -179.7 | -30 | 0 | 0 | 0 | 107.4 | | |
| 244 | L | 39.2 | Very low | 41.7 | Very low | 174 Ų | 174 | 152.9 Ų | 152.9 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | trans | -154.3 | 135.7 | 166.1 | -148.4 | 76.7 | 0 | 0 | 0 | 112 | | |
| 245 | G | 34.2 | Very low | 42 | Very low | 67 Ų | 67 | 151.1 Ų | 151.1 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | | | trans | 98.1 | 92.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 246 | M | 39.5 | Very low | 41.9 | Very low | 175 Ų | 175 | 150.8 Ų | 150.8 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | | | trans | -59.3 | 146.8 | 157.4 | -76.5 | 77.3 | 77.8 | 0 | 0 | 111.1 | | |
| 247 | N | 36.2 | Very low | 42.7 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -143.2 | 148.6 | 144.6 | -106.8 | -59.3 | 0 | 0 | 0 | 111.1 | | |
| 248 | N | 44.4 | Very low | 43.4 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | | | trans | -77.3 | 134.4 | -172 | -72.9 | -55.5 | 0 | 0 | 0 | 112.5 | | |
| 249 | R | 38.5 | Very low | 43.9 | Very low | 244 Ų | 244 | 148.8 Ų | 148.8 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | | 171 | 130 | 123.4 | -88 | 147.9 | -161.6 | -145.4 | 3 | 110.8 | | |
| 250 | K | 42.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -93.3 | 138.1 | 165 | -64.9 | 179.7 | 178.9 | -178.8 | 0 | 109.2 | D252 | K250-D252 PolarHBondContact O-N 3.37Š|
| 251 | P | 43.4 | Very low | 42.1 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | | | trans | -78.9 | 107 | 157.1 | 31 | -28 | 0 | 0 | 0 | 108.7 | | |
| 252 | D | 36.4 | Very low | 41.9 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 52% | 0.524 | 81% | 0.813 | S | S | . | * | | | trans | -108.2 | 102.1 | 174.4 | -175 | -2.2 | 0 | 0 | 0 | 108.4 | K250 R254 | K250-D252 PolarHBondContact O-N 3.37Å; D252-R254 VanDerWaalsContact C-N 3.33Å; D252-R254 PolarHBondContact O-N 3.47Å; D252-R254 WeakPolarHBondContact OD1-CG 3.34Å; D252-R254 IonicContact OD1-NE 3.5Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.63Å; D252-R254 PolarHBondContact OD2-NE 2.77Å; D252-R254 IonicContact OD2-NH2 3.28Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å |
| 253 | L | 43.6 | Very low | 41.5 | Very low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -80.9 | 76.3 | -172 | -109 | 167.5 | 0 | 0 | 0 | 111 | | |
| 254 | R | 47.5 | Very low | 41.1 | Very low | 198 Ų | 198 | 148.6 Ų | 148.6 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -85.5 | 126.9 | 176.7 | -59.2 | -171.1 | -172.6 | -174.4 | 4 | 111.2 | D252 L256 | D252-R254 VanDerWaalsContact C-N 3.33Å; D252-R254 PolarHBondContact O-N 3.47Å; D252-R254 WeakPolarHBondContact OD1-CG 3.34Å; D252-R254 IonicContact OD1-NE 3.5Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.63Å; D252-R254 PolarHBondContact OD2-NE 2.77Å; D252-R254 IonicContact OD2-NH2 3.28Å; D252-R254 PolarHBondContact OD2-NH2 2.92Å; R254-L256 PolarHBondContact O-N 2.83Å |
| 255 | V | 44.3 | Very low | 40.9 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -65.3 | 122.4 | 173 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 256 | L | 41.4 | Very low | 41.7 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -87.3 | 113.4 | 178.8 | -169.4 | 77 | 0 | 0 | 0 | 110.2 | R254 | R254-L256 PolarHBondContact O-N 2.83Š|
| 257 | I | 48.8 | Very low | 41.8 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 118.9 | 171.4 | -60 | 174.7 | 0 | 0 | 0 | 108.5 | | |
| 258 | P | 48.6 | Very low | 41.8 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.6 | 172.7 | -18.4 | 32.7 | 0 | 0 | 0 | 112.1 | | |
| 259 | P | 52.5 | Low | 41.3 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -74 | 147.7 | 176.8 | 31.4 | -35 | 0 | 0 | 0 | 112.1 | | |
| 260 | G | 36.4 | Very low | 41 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 152.4 | -173 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 261 | A | 36.3 | Very low | 40.7 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 160.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 262 | K | 42.3 | Very low | 40.4 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 81% | 0.809 | 78% | 0.779 | S | S | * | * | | | trans | -117.8 | 153 | -177 | -66.3 | -176.7 | 178.1 | -179.9 | 0 | 112.2 | | |
| 263 | N | 32.4 | Very low | 40.1 | Very low | 155 Ų | 155 | 145.7 Ų | 145.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | trans | 70.7 | 152.2 | 167.9 | -43.1 | -31 | 0 | 0 | 0 | 114.3 | | |
| 264 | N | 34.3 | Very low | 39.6 | Very low | 156 Ų | 156 | 143.5 Ų | 143.5 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | cis | -141.2 | 160.9 | -2.4 | -161.7 | 13 | 0 | 0 | 0 | 110.6 | | |
| 265 | M | 35.5 | Very low | 39.1 | Very low | 140 Ų | 140 | 138 Ų | 138 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -89 | 161.4 | 168.4 | -134.1 | -131.6 | -62.9 | 0 | 0 | 110.4 | S267 | M265-S267 PolarHBondContact SD-N 3.34Å; M265-S267 VanDerWaalsContact SD-N 3.39Å |
| 266 | P | 50.2 | Low | 38.8 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | | -143.4 | 167.2 | 92.8 | 38.9 | -24.5 | 0 | 0 | 0 | 115.4 | | |
| 267 | S | 43.2 | Very low | 38.5 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | | | trans | -92.4 | 147.2 | 172 | 173.4 | 0 | 0 | 0 | 0 | 111 | M265 | M265-S267 PolarHBondContact SD-N 3.34Å; M265-S267 VanDerWaalsContact SD-N 3.39Å |
| 268 | I | 34.8 | Very low | 37.7 | Very low | 167 Ų | 167 | 135.2 Ų | 135.2 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | | | trans | -148.9 | 161.7 | 153.5 | -150.9 | 58.1 | 0 | 0 | 0 | 111.3 | | |
| 269 | N | 33.7 | Very low | 37.1 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -123.8 | 173.4 | -174.6 | -139.2 | -45.5 | 0 | 0 | 0 | 109.9 | | |
| 270 | Q | 33.7 | Very low | 36.2 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | 83 | 108.6 | 170.3 | -52.3 | -169.1 | 7.8 | 0 | 0 | 120.8 | | |
| 271 | R | 35.1 | Very low | 36.3 | Very low | 220 Ų | 220 | 144.5 Ų | 144.5 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | | | | 59.9 | 124 | 103.8 | -150.1 | -166.9 | -158 | -126.1 | 4.5 | 120.3 | | |
| 272 | I | 36.8 | Very low | 36.5 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | | 157.8 | 127.5 | 124.9 | -83.2 | 162.4 | 0 | 0 | 0 | 113 | | |
| 273 | N | 31.6 | Very low | 36.3 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | 54.7 | 157.2 | 156.2 | -74.9 | 8.5 | 0 | 0 | 0 | 121.4 | | |
| 274 | N | 32.3 | Very low | 36.8 | Very low | 128 Ų | 128 | 140 Ų | 140 | 68% | 0.684 | 78% | 0.784 | S | S | * | * | | | cis | -152 | 163.1 | -8.1 | -133.1 | -2.2 | 0 | 0 | 0 | 114 | | |
| 275 | S | 37.1 | Very low | 36.9 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | | | trans | 45.4 | 119.6 | 145.4 | -57.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 276 | Q | 37.1 | Very low | 36.9 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | | 49.8 | 125.7 | 129.2 | -52.4 | 179.9 | 11.1 | 0 | 0 | 119 | | |
| 277 | S | 35.5 | Very low | 36.2 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | | 178.7 | 179.4 | 62.7 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 278 | A | 32.3 | Very low | 36 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | 70.1 | 101.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 279 | Q | 36.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | 48.1 | 127.7 | 130.9 | -60.1 | -179.8 | -1.9 | 0 | 0 | 121.6 | | |
| 280 | S | 33.7 | Very low | 36.2 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -144.6 | 145.3 | 152.3 | -81.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 281 | L | 38.5 | Very low | 36.8 | Very low | 186 Ų | 186 | 133 Ų | 133 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | | | trans | -88.8 | 129.1 | -176 | -72.7 | 154.2 | 0 | 0 | 0 | 111.1 | | |
| 282 | A | 39 | Very low | 36.9 | Very low | 95 Ų | 95 | 128.6 Ų | 128.6 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -150.2 | 132.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 283 | T | 37.8 | Very low | 37 | Very low | 141 Ų | 141 | 130.4 Ų | 130.4 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 124.5 | -176.8 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 284 | P | 44.3 | Very low | 37.7 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 148.7 | 174.1 | 31.8 | -34.2 | 0 | 0 | 0 | 112.2 | | |
| 285 | V | 35.4 | Very low | 37.7 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.8 | 170.5 | 173.9 | 0 | 0 | 0 | 0 | 110 | | |
| 286 | V | 36.8 | Very low | 37.7 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | -93.2 | 110.7 | 178.5 | 179.1 | 0 | 0 | 0 | 0 | 110.6 | V288 | V286-V288 HydrophobicContact CG1-CG2 3.73Š|
| 287 | S | 34.8 | Very low | 37.5 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -105.4 | 117.2 | 163 | -66.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 288 | V | 38.4 | Very low | 37.5 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | -94.5 | 120.8 | -178.2 | -170.8 | 0 | 0 | 0 | 0 | 110.1 | V286 | V286-V288 HydrophobicContact CG1-CG2 3.73Š|
| 289 | A | 38 | Very low | 37.6 | Very low | 88 Ų | 88 | 131.1 Ų | 131.1 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | -148.6 | 116.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 290 | T | 34.5 | Very low | 37.4 | Very low | 133 Ų | 133 | 125.5 Ų | 125.5 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | | | trans | 175.2 | 162.3 | 167.9 | 13.3 | 0 | 0 | 0 | 0 | 109 | | |
| 291 | P | 47.7 | Very low | 37.5 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | | | cis | -125.3 | -171.5 | -22.1 | 36.9 | -19.9 | 0 | 0 | 0 | 112.2 | | |
| 292 | T | 35.9 | Very low | 38.1 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | | | trans | -98.2 | 158.9 | 177.9 | 45.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 293 | L | 38.6 | Very low | 37.9 | Very low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | -164 | 157.5 | 144.6 | -126.3 | 72.8 | 0 | 0 | 0 | 109.8 | | |
| 294 | P | 47.5 | Very low | 37.8 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -105 | 162.2 | -169.7 | 38.9 | -32.1 | 0 | 0 | 0 | 115.2 | | |
| 295 | G | 33 | Very low | 37.6 | Very low | 81 Ų | 81 | 127.4 Ų | 127.4 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | | | trans | -155.3 | 161.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 296 | Q | 35.3 | Very low | 37.3 | Very low | 202 Ų | 202 | 126.6 Ų | 126.6 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | | | trans | -100.2 | 159.5 | -172.8 | -61 | -178.8 | -5.9 | 0 | 0 | 113.8 | | |
| 297 | G | 33.3 | Very low | 37.2 | Very low | 62 Ų | 62 | 127.6 Ų | 127.6 | 64% | 0.639 | 82% | 0.816 | S | S | * | * | | | trans | 123.8 | 131 | 132 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 298 | M | 36.7 | Very low | 37 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | | | trans | 48.5 | 118.5 | 152.5 | -90.9 | 53.8 | 76.9 | 0 | 0 | 120.9 | | |
| 299 | G | 34.4 | Very low | 36.8 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | -79.7 | 175.7 | -179 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 300 | G | 31.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | -170.6 | 131.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 301 | Y | 35.1 | Very low | 36.6 | Very low | 237 Ų | 237 | 131.7 Ų | 131.7 | 93% | 0.929 | 82% | 0.823 | S | S | * | * | | | trans | -82 | 175.9 | 176.8 | -78.2 | -84 | 0 | 0 | 0 | 111.7 | | |
| 302 | P | 52.4 | Low | 35.9 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | | | cis | -135.4 | 171.4 | -2.4 | 24 | 0.1 | 0 | 0 | 0 | 117 | | |
| 303 | S | 34.7 | Very low | 35.9 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | | | trans | 69.3 | 155 | 153 | -63.6 | 0 | 0 | 0 | 0 | 118.6 | | |
| 304 | A | 36.2 | Very low | 35.7 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | | | cis | -149.6 | 157 | 22.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 305 | I | 38.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 84% | 0.841 | 82% | 0.815 | S | S | * | * | | | trans | 33.4 | 122.7 | 155 | 65.4 | -175.2 | 0 | 0 | 0 | 122.1 | | |
| 306 | S | 30.2 | Very low | 35.1 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | | | trans | -80.4 | 154.8 | 167.1 | -47 | 0 | 0 | 0 | 0 | 113.1 | | |
| 307 | T | 33 | Very low | 35 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | -135.6 | 130.9 | 160.1 | -67.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 308 | S | 32 | Very low | 35.2 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | | | trans | -120.8 | 116.7 | -170.1 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | | |
| 309 | Y | 34.3 | Very low | 35.2 | Very low | 236 Ų | 236 | 135.8 Ų | 135.8 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -135.1 | 138.1 | 156.9 | -97 | -89 | 0 | 0 | 0 | 107.6 | | |
| 310 | G | 32.3 | Very low | 35.3 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | -146.4 | 139.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 311 | T | 35.7 | Very low | 35.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -151 | 96.4 | -173.5 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 312 | E | 32.6 | Very low | 35.4 | Very low | 151 Ų | 151 | 135 Ų | 135 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | | | trans | -166.3 | 149.3 | 170.3 | 45 | -177.8 | -137.9 | 0 | 0 | 106.8 | | |
| 313 | Y | 36 | Very low | 34.6 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | | | cis | -133.4 | 180 | 17.5 | -74 | -96.2 | 0 | 0 | 0 | 112.3 | | |
| 314 | S | 34.3 | Very low | 34.6 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | trans | -118.7 | 137.3 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 315 | L | 37.7 | Very low | 34.3 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | | | trans | 36 | 126.8 | 147.5 | -55.7 | 176.8 | 0 | 0 | 0 | 120.9 | | |
| 316 | N | 29.6 | Very low | 34 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | | -155.4 | 166.9 | 107.6 | -158.4 | 14.3 | 0 | 0 | 0 | 111.5 | | |
| 317 | S | 33.9 | Very low | 34.1 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | -115.3 | 136.9 | -176.4 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | | |
| 318 | A | 37.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | | | trans | -174.7 | 115.3 | 137 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 319 | D | 36.7 | Very low | 34.1 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | | | trans | -160.8 | 150.3 | 146.1 | -112 | -33.7 | 0 | 0 | 0 | 109.8 | | |
| 320 | L | 37.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 131 Ų | 131 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -130.5 | 143.7 | -164.8 | -89.2 | 168.5 | 0 | 0 | 0 | 114 | | |
| 321 | S | 33 | Very low | 33.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | 61.3 | 94.1 | 147.2 | -59.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 322 | S | 35.4 | Very low | 33.7 | Very low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | | | trans | -141.8 | 95.1 | 150.6 | 52.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 323 | L | 36.1 | Very low | 33.7 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | 60.8 | 103.6 | 144.1 | -62.5 | 170.9 | 0 | 0 | 0 | 121.8 | | |
| 324 | S | 34.5 | Very low | 33.4 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | | 59.1 | 133.6 | 125 | 66.5 | 0 | 0 | 0 | 0 | 123 | | |
| 325 | G | 30.6 | Very low | 33.1 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | 168 | 76.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 326 | F | 31.3 | Very low | 32.9 | Very low | 200 Ų | 200 | 127.9 Ų | 127.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | 25.9 | 102.5 | 156.5 | -75.6 | -90.9 | 0 | 0 | 0 | 122.8 | | |
| 327 | N | 32.7 | Very low | 33.2 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | | | | 58.1 | 113.8 | 105.8 | -160.6 | 20.8 | 0 | 0 | 0 | 122.9 | | |
| 328 | S | 32.5 | Very low | 33.1 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | 61.7 | 148.1 | 145.9 | -66.8 | 0 | 0 | 0 | 0 | 122.7 | | |
| 329 | G | 32.3 | Very low | 33.1 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | | | trans | 163.1 | 90.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 330 | S | 30.8 | Very low | 32.9 | Very low | 114 Ų | 114 | 132.4 Ų | 132.4 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -76.6 | 149.6 | -177.8 | -53 | 0 | 0 | 0 | 0 | 115.3 | | |
| 331 | S | 31 | Very low | 32.7 | Very low | 98 Ų | 98 | 132.6 Ų | 132.6 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | trans | 51.1 | 119.7 | 138.5 | 64.3 | 0 | 0 | 0 | 0 | 122.5 | | |
| 332 | L | 33.5 | Very low | 32.7 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | 73.7 | 141.5 | 133 | -61.8 | 171.9 | 0 | 0 | 0 | 122.2 | | |
| 333 | H | 31 | Very low | 32.6 | Very low | 162 Ų | 162 | 137 Ų | 137 | 75% | 0.75 | 80% | 0.801 | S | S | * | * | | | trans | 93.7 | 85 | 147.4 | -150.9 | -74.2 | 0 | 0 | 0 | 121.8 | | |
| 334 | L | 29.5 | Very low | 32.3 | Very low | 156 Ų | 156 | 136.7 Ų | 136.7 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | | 28 | 112.4 | 126.9 | -168.8 | 71.8 | 0 | 0 | 0 | 120 | | |
| 335 | G | 29.6 | Very low | 32.3 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | 87.7 | 148.4 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 336 | S | 32.8 | Very low | 32.6 | Very low | 111 Ų | 111 | 140.7 Ų | 140.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | cis | -160.9 | 147.3 | -4.9 | -168.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 337 | M | 35 | Very low | 32.6 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | | | trans | 42.2 | 136.9 | 154.7 | -67.4 | -73 | 101.3 | 0 | 0 | 122.1 | | |
| 338 | S | 32.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -130.7 | 127.8 | 152 | 54.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 339 | G | 37.1 | Very low | 32.9 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -178.1 | 134.5 | -177 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 340 | W | 32.3 | Very low | 33.1 | Very low | 256 Ų | 256 | 141.2 Ų | 141.2 | 97% | 0.97 | 76% | 0.756 | S | S | * | * | | | trans | -89.8 | 140 | -168.7 | -86.1 | 53.2 | 0 | 0 | 0 | 113.2 | | |
| 341 | Q | 32.2 | Very low | 33.6 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | | | | -176.3 | 118.5 | 110.6 | -174.4 | 159.7 | 1.7 | 0 | 0 | 112.4 | | |
| 342 | Q | 34 | Very low | 34 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | 53.3 | 120.5 | 146.9 | -151.3 | 159.3 | 7.8 | 0 | 0 | 118.3 | | |
| 343 | Q | 33.2 | Very low | 34.3 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | | -172.5 | 157.5 | 50.3 | -152.3 | 179.6 | 9.6 | 0 | 0 | 113.4 | | |
| 344 | H | 29.7 | Very low | 34.5 | Very low | 153 Ų | 153 | 136.4 Ų | 136.4 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | trans | 75.1 | 100.4 | 148.4 | -138.4 | -118.5 | 0 | 0 | 0 | 124.7 | | |
| 345 | L | 35.3 | Very low | 35 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 63% | 0.634 | 75% | 0.747 | S | S | * | * | | | | 72.6 | 108.7 | 127 | -134 | 75.2 | 0 | 0 | 0 | 124.7 | | |
| 346 | Q | 35.3 | Very low | 35.3 | Very low | 155 Ų | 155 | 141.6 Ų | 141.6 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | | | trans | 68 | 153.2 | 134.9 | -77 | -166 | 59.2 | 0 | 0 | 122.1 | | |
| 347 | N | 33.3 | Very low | 35.3 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 56% | 0.561 | 75% | 0.75 | S | S | * | * | | | cis | -170.2 | 130.1 | -6.7 | 167.3 | -39.5 | 0 | 0 | 0 | 113.4 | | |
| 348 | M | 36.4 | Very low | 35.3 | Very low | 142 Ų | 142 | 139.2 Ų | 139.2 | 70% | 0.7 | 75% | 0.751 | S | S | * | * | | | trans | 52.7 | 175.4 | 160.6 | -56.8 | -166.4 | -60 | 0 | 0 | 121 | | |
| 349 | Q | 35 | Very low | 35.3 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 60% | 0.603 | 74% | 0.742 | S | S | * | * | | | cis | -158.7 | 137.8 | 8.4 | -153.9 | 149.7 | 14.2 | 0 | 0 | 117.8 | | |
| 350 | H | 35.7 | Very low | 35 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | | | trans | 60.8 | -179.4 | 151.4 | -72.1 | 178.3 | 0 | 0 | 0 | 120.9 | | |
| 351 | S | 41.3 | Very low | 34.8 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | | | cis | 177.1 | 170.3 | -40.8 | -74.2 | 0 | 0 | 0 | 0 | 108.4 | | |
| 352 | A | 38.8 | Very low | 34.7 | Very low | 90 Ų | 90 | 131.4 Ų | 131.4 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | | | cis | -171.3 | -177 | -27.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 353 | L | 39.7 | Very low | 34.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | | | cis | -166.1 | 176.9 | 0.9 | -156.9 | 72.2 | 0 | 0 | 0 | 110.3 | | |
| 354 | S | 35.3 | Very low | 34.5 | Very low | 93 Ų | 93 | 131 Ų | 131 | 65% | 0.65 | 74% | 0.743 | S | S | * | * | | | trans | 75.1 | 144.6 | 159.3 | -56.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 355 | Q | 39.5 | Very low | 34.5 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | | | cis | 96.9 | 142.7 | 22.1 | -68.8 | -176.4 | -1.4 | 0 | 0 | 115.3 | | |
| 356 | L | 37.1 | Very low | 34.4 | Very low | 162 Ų | 162 | 132 Ų | 132 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | | | cis | -162.7 | 156.8 | 5.6 | -155.1 | 75.5 | 0 | 0 | 0 | 114.4 | | |
| 357 | G | 33.5 | Very low | 34.3 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | | | trans | 80.9 | 171.3 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 358 | N | 33.8 | Very low | 34.5 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | | | cis | -159.9 | -174.1 | -21 | -158.6 | 44.7 | 0 | 0 | 0 | 111 | | |
| 359 | C | 32.2 | Very low | 34.4 | Very low | 99 Ų | 99 | 128.8 Ų | 128.8 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -102.7 | 160.3 | -167.1 | 62.2 | 0 | 0 | 0 | 0 | 118 | | |
| 360 | S | 31 | Very low | 34.2 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | | | trans | -174.3 | -176.6 | 157.9 | -88.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 361 | S | 28.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | -131.7 | 164.6 | -157.1 | -171.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 362 | S | 30 | Very low | 34 | Very low | 108 Ų | 108 | 131 Ų | 131 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | trans | 97.4 | 129.8 | 144.6 | 80.9 | 0 | 0 | 0 | 0 | 123 | | |
| 363 | H | 31 | Very low | 34 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | 86.6 | 152.5 | 135.4 | -147.5 | -138.2 | 0 | 0 | 0 | 122.9 | | |
| 364 | L | 31.5 | Very low | 33.8 | Very low | 143 Ų | 143 | 130.9 Ų | 130.9 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | | | trans | 72.8 | 163 | 167.4 | -85.2 | 158.6 | 0 | 0 | 0 | 120.5 | | |
| 365 | C | 31.1 | Very low | 33.9 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | | | trans | -134.6 | 149.2 | -159.1 | 57.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 366 | Q | 32.2 | Very low | 33.8 | Very low | 198 Ų | 198 | 131.5 Ų | 131.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | | | trans | -173.2 | 162.8 | 141.8 | -100.2 | 145.4 | 57.4 | 0 | 0 | 109.1 | | |
| 367 | G | 32.6 | Very low | 33.8 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -110.6 | -170.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 368 | S | 37.8 | Very low | 34.1 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | 103.5 | 127 | 175.1 | -48.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 369 | N | 33.7 | Very low | 34.4 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | 47.2 | 106.5 | 155.4 | -68.3 | -68 | 0 | 0 | 0 | 119.4 | | |
| 370 | L | 32.2 | Very low | 34.8 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | | | trans | -122.2 | 128.8 | 141.6 | -80.7 | 175.3 | 0 | 0 | 0 | 110.2 | | |
| 371 | S | 34.8 | Very low | 35.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -72.1 | 148.9 | 177.3 | 42.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 372 | L | 36.6 | Very low | 36 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | -117 | 145.2 | 162.2 | -82.6 | 86.1 | 0 | 0 | 0 | 110.3 | | |
| 373 | P | 39 | Very low | 37.1 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -83.9 | 148.4 | 178.7 | 33.4 | -34.8 | 0 | 0 | 0 | 113.8 | | |
| 374 | S | 35.6 | Very low | 37.9 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -49.5 | 153.8 | 156.5 | 170.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 375 | A | 38.6 | Very low | 38.6 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 67% | 0.669 | 81% | 0.809 | S | S | * | * | | | cis | -174.7 | 165 | -20.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 376 | Q | 36.5 | Very low | 39.3 | Very low | 202 Ų | 202 | 140.7 Ų | 140.7 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | -138 | 148.7 | 151.9 | -73.2 | -161.7 | -9 | 0 | 0 | 110.3 | | |
| 377 | S | 36.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -114.2 | 137.6 | -168.5 | -179 | 0 | 0 | 0 | 0 | 111.9 | | |
| 378 | L | 41.2 | Very low | 41.1 | Very low | 170 Ų | 170 | 139.2 Ų | 139.2 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -111 | 113.9 | 169.9 | -73.8 | 174.2 | 0 | 0 | 0 | 109.7 | | |
| 379 | H | 39.9 | Very low | 41.3 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | | | trans | -97 | 95.6 | -175.3 | 178.9 | -67.9 | 0 | 0 | 0 | 111.3 | | |
| 380 | I | 40.2 | Very low | 41.6 | Very low | 164 Ų | 164 | 145 Ų | 145 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -79.2 | 122.4 | 171 | -61.8 | 173 | 0 | 0 | 0 | 108.9 | | |
| 381 | K | 38.4 | Very low | 41.6 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | -106.5 | 119.8 | 178.7 | -171.1 | 175.3 | 179.6 | 177.8 | 0 | 110.1 | | |
| 382 | S | 46.7 | Very low | 41.7 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 163.9 | 178.5 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 383 | E | 53.9 | Low | 41.5 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 157.7 | 176.8 | -80.8 | -172.5 | 103.9 | 0 | 0 | 113.9 | | |
| 384 | P | 46 | Very low | 41.3 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143 | 174.9 | 33.2 | -34.9 | 0 | 0 | 0 | 113.2 | | |
| 385 | V | 46.7 | Very low | 41.2 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.6 | 173.8 | 162.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 386 | S | 45.8 | Very low | 41.5 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 151 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 387 | P | 54.4 | Low | 41.1 | Very low | 119 Ų | 119 | 144.6 Ų | 144.6 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -72 | 153 | -179.2 | 30.2 | -35.9 | 0 | 0 | 0 | 113.2 | | |
| 388 | P | 47.9 | Very low | 40.8 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 166.1 | -179.6 | 31.9 | -36.4 | 0 | 0 | 0 | 112.9 | | |
| 389 | R | 41.7 | Very low | 40.3 | Very low | 244 Ų | 244 | 145.8 Ų | 145.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | | | trans | -136 | 92.7 | -180 | -156.7 | -177.5 | -167.6 | -176.8 | 4.1 | 109.7 | | |
| 390 | D | 40.2 | Very low | 39.9 | Very low | 147 Ų | 147 | 141.7 Ų | 141.7 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | | | trans | -71.2 | 134.5 | -176.9 | -68.5 | -64.7 | 0 | 0 | 0 | 112.9 | | |
| 391 | R | 33.7 | Very low | 39.4 | Very low | 242 Ų | 242 | 138.2 Ų | 138.2 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | | | trans | -125.1 | 108.9 | 163.1 | -92.7 | -173.1 | 164.7 | -160.6 | -3.2 | 107.2 | | |
| 392 | T | 35.7 | Very low | 39 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -91.1 | 139.9 | 168.5 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 393 | S | 32.9 | Very low | 38.4 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | trans | -144.2 | 105.7 | 177.8 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 394 | S | 34.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | | | trans | -154.6 | 101 | 178.1 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 395 | T | 35.2 | Very low | 39.1 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | | | trans | -66.8 | 175.7 | 155.1 | 12.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 396 | P | 43.5 | Very low | 38.4 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | | | cis | -139.6 | 174.2 | 17.7 | 42.1 | -23.7 | 0 | 0 | 0 | 118.2 | | |
| 397 | G | 29.5 | Very low | 37.8 | Very low | 81 Ų | 81 | 132.9 Ų | 132.9 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 83.3 | 155.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 398 | G | 29.5 | Very low | 36.7 | Very low | 61 Ų | 61 | 134.4 Ų | 134.4 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | | | cis | 163.5 | 132.3 | -8.7 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 399 | Y | 31.6 | Very low | 36.8 | Very low | 247 Ų | 247 | 133.6 Ų | 133.6 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | | | trans | 63.6 | 153.9 | -172.5 | -50.7 | -89.5 | 0 | 0 | 0 | 114.7 | | |
| 400 | G | 30.6 | Very low | 36.4 | Very low | 74 Ų | 74 | 130.5 Ų | 130.5 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | | | cis | 167.5 | 135 | -13.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 401 | G | 30.1 | Very low | 36 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | | | trans | 82.3 | 156.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 402 | G | 30.4 | Very low | 35.9 | Very low | 80 Ų | 80 | 128.5 Ų | 128.5 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | trans | 130.1 | 92.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 403 | V | 32.5 | Very low | 35.8 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -131.9 | 169.4 | 161.8 | -120 | 0 | 0 | 0 | 0 | 106.5 | | |
| 404 | P | 56.6 | Low | 35.8 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | cis | -130.4 | -133.2 | -6.1 | 38.7 | -15.5 | 0 | 0 | 0 | 109.3 | | |
| 405 | P | 58.8 | Low | 35.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 70% | 0.695 | 79% | 0.794 | S | S | * | * | | | cis | -134.9 | -178.9 | -26.5 | 36.3 | -17.6 | 0 | 0 | 0 | 116.3 | | |
| 406 | S | 31.7 | Very low | 35.7 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | | | trans | 79.6 | 148.5 | 152 | -115.6 | 0 | 0 | 0 | 0 | 118 | | |
| 407 | Q | 34.2 | Very low | 35.3 | Very low | 183 Ų | 183 | 133.2 Ų | 133.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | cis | -131.5 | 166.3 | 11.9 | -64.4 | 178.8 | -4.4 | 0 | 0 | 113.8 | | |
| 408 | N | 31 | Very low | 35.7 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | | | trans | -132.2 | -178.2 | 164.8 | -142.6 | 12.9 | 0 | 0 | 0 | 105.6 | | |
| 409 | P | 50.4 | Low | 36.7 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | | | cis | -138.9 | -179.5 | 7.9 | 43.3 | -24.5 | 0 | 0 | 0 | 116.1 | | |
| 410 | Q | 31.9 | Very low | 36.9 | Very low | 179 Ų | 179 | 131 Ų | 131 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | 157 | 139.5 | 134.1 | -87.7 | 173.5 | -27.5 | 0 | 0 | 110.2 | | |
| 411 | S | 33 | Very low | 36.9 | Very low | 97 Ų | 97 | 134.8 Ų | 134.8 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | | | cis | 160.2 | 111.8 | -30.3 | 48.8 | 0 | 0 | 0 | 0 | 107.4 | | |
| 412 | R | 31.3 | Very low | 37.1 | Very low | 251 Ų | 251 | 135.2 Ų | 135.2 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | | | trans | -164.9 | 155.3 | 148.3 | -116 | 172.3 | -179 | -178.8 | -0.6 | 112.1 | | |
| 413 | Q | 33.8 | Very low | 37.2 | Very low | 173 Ų | 173 | 139 Ų | 139 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | | | trans | -97.2 | 179.5 | -175.4 | -57.5 | 156.9 | -86.9 | 0 | 0 | 109.4 | | |
| 414 | D | 31.3 | Very low | 37.2 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | | | cis | -158.6 | 175.8 | 17.4 | -155.1 | -79.6 | 0 | 0 | 0 | 112.1 | | |
| 415 | S | 34.7 | Very low | 36 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | 72.9 | 128.9 | 154.3 | -70.2 | 0 | 0 | 0 | 0 | 120.1 | | |
| 416 | G | 32.9 | Very low | 34.9 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -178.5 | -36.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 417 | R | 36.2 | Very low | 34.7 | Very low | 254 Ų | 254 | 139 Ų | 139 | 96% | 0.958 | 79% | 0.788 | S | S | * | * | | | trans | 66.5 | 147.5 | -175.3 | -59 | -177.3 | 174.7 | -130.7 | -2.1 | 117 | | |
| 418 | S | 37.7 | Very low | 34.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | -126.7 | 168.3 | 169.1 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 419 | P | 49.1 | Very low | 35 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | | -138.7 | 180 | 103.2 | 38.7 | -26.2 | 0 | 0 | 0 | 114.5 | | |
| 420 | V | 36.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | | | trans | -82.5 | 162.7 | -178.9 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 421 | D | 31 | Very low | 34.5 | Very low | 153 Ų | 153 | 136 Ų | 136 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | -171.6 | -178.8 | 102.1 | -118.1 | -46 | 0 | 0 | 0 | 113.8 | | |
| 422 | S | 35.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | trans | -126.9 | 164.1 | -163.5 | -50.6 | 0 | 0 | 0 | 0 | 116 | | |
| 423 | L | 32.2 | Very low | 34.7 | Very low | 159 Ų | 159 | 127.7 Ų | 127.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | 77.8 | 123.1 | 157.3 | -61.4 | 177.3 | 0 | 0 | 0 | 121.5 | | |
| 424 | S | 32.5 | Very low | 34.9 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | trans | 82.1 | 153.5 | 133.1 | -63.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 425 | S | 31.8 | Very low | 35.4 | Very low | 122 Ų | 122 | 130 Ų | 130 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | 101 | 141.9 | 153.7 | -52.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 426 | C | 34.7 | Very low | 35.3 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | | | trans | -118.6 | 138.2 | -176.1 | -49.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 427 | S | 28.7 | Very low | 35.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 179.4 | 161.1 | 160.7 | -84.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 428 | S | 33.8 | Very low | 35.4 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | cis | 169.6 | 116 | -42.7 | 50 | 0 | 0 | 0 | 0 | 109.2 | | |
| 429 | S | 36.2 | Very low | 35.2 | Very low | 115 Ų | 115 | 141 Ų | 141 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | | | trans | -172.4 | 125.9 | 161.4 | 42.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 430 | H | 37.3 | Very low | 34.5 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | | 85.4 | 129.3 | 55.5 | -165.9 | 74.6 | 0 | 0 | 0 | 109.6 | | |
| 431 | E | 34.9 | Very low | 34.1 | Very low | 164 Ų | 164 | 145.6 Ų | 145.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | cis | -162.9 | 168.1 | -2.3 | -165 | 138.4 | 89.4 | 0 | 0 | 108 | | |
| 432 | G | 34 | Very low | 34.1 | Very low | 61 Ų | 61 | 146.7 Ų | 146.7 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | cis | -151.3 | 162 | -2.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 433 | S | 35 | Very low | 33.9 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | | 66.7 | 100 | 84.8 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 434 | D | 37.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 147.4 Ų | 147.4 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | | 96.2 | 160.8 | 60.5 | -109.9 | -62.6 | 0 | 0 | 0 | 114.5 | | |
| 435 | R | 42.9 | Very low | 34.7 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | trans | -36.9 | 160.4 | -178.7 | -59.1 | 152 | 174.6 | -141.7 | -5 | 116.8 | | |
| 436 | D | 32.4 | Very low | 34.7 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 91% | 0.914 | 80% | 0.8 | S | S | * | * | | | trans | -133.4 | 145.9 | 137.2 | -127.4 | -40.4 | 0 | 0 | 0 | 111.7 | | |
| 437 | E | 35.8 | Very low | 34.5 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -136.9 | 120.2 | -175.3 | -174.9 | 173.8 | 114.9 | 0 | 0 | 109.6 | R439 | E437-R439 PolarHBondContact O-N 2.99Š|
| 438 | H | 36.3 | Very low | 34.8 | Very low | 194 Ų | 194 | 151 Ų | 151 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | | | trans | -71.2 | 102.2 | -172.7 | -87.1 | -60.9 | 0 | 0 | 0 | 113.4 | | |
| 439 | R | 32 | Very low | 34.7 | Very low | 244 Ų | 244 | 151 Ų | 151 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | | | trans | -153.2 | 127.7 | 142.8 | -122.8 | 173.1 | 179.3 | -157.6 | -5.3 | 114.2 | E437 | E437-R439 PolarHBondContact O-N 2.99Š|
| 440 | N | 35 | Very low | 34.5 | Very low | 156 Ų | 156 | 157 Ų | 157 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -76.2 | 136.1 | 174.2 | -64.1 | -38.9 | 0 | 0 | 0 | 111 | | |
| 441 | E | 28.1 | Very low | 34.7 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | trans | -156.1 | 116.2 | 139.5 | -126.1 | 159.8 | -166.6 | 0 | 0 | 114.3 | | |
| 442 | F | 29.5 | Very low | 34.5 | Very low | 176 Ų | 176 | 150.9 Ų | 150.9 | 77% | 0.772 | 81% | 0.81 | S | S | * | * | | | trans | 56.6 | 103.6 | 148.3 | -84.3 | -108.3 | 0 | 0 | 0 | 123.5 | | |
| 443 | H | 31.2 | Very low | 34.4 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 76% | 0.764 | 82% | 0.819 | S | S | * | * | | | | 69.1 | 115.5 | 127 | -81.8 | -98.1 | 0 | 0 | 0 | 122.4 | | |
| 444 | S | 36.6 | Very low | 34.3 | Very low | 110 Ų | 110 | 156.7 Ų | 156.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | | | trans | -85.8 | 159.5 | 153.3 | -40.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 445 | P | 46.2 | Very low | 34.2 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | | | | -134.5 | 169.1 | 120.3 | 37 | -24.4 | 0 | 0 | 0 | 111 | | |
| 446 | L | 31.1 | Very low | 33.9 | Very low | 174 Ų | 174 | 155.8 Ų | 155.8 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | | | cis | -152.3 | 158.5 | 41.8 | -75.2 | 158.3 | 0 | 0 | 0 | 111.7 | | |
| 447 | G | 29.5 | Very low | 33.8 | Very low | 75 Ų | 75 | 154.8 Ų | 154.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -166.4 | 50.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 448 | L | 35.4 | Very low | 33.7 | Very low | 182 Ų | 182 | 152 Ų | 152 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | | | trans | 38.2 | 101.7 | 159 | -81.9 | 162.6 | 0 | 0 | 0 | 120.4 | | |
| 449 | A | 31.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -150.5 | 148.8 | 143.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 450 | R | 33.4 | Very low | 34.5 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -121.9 | 160.4 | 166.1 | -110.8 | -171.5 | 170.5 | -169.4 | -2.7 | 106.6 | | |
| 451 | P | 40.6 | Very low | 34.6 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | cis | -146.1 | 178.5 | 35.6 | 43.4 | -24.6 | 0 | 0 | 0 | 118.2 | | |
| 452 | A | 29.8 | Very low | 35.1 | Very low | 84 Ų | 84 | 143.2 Ų | 143.2 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | | | trans | 80.1 | 146.7 | 142.8 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 453 | L | 32.5 | Very low | 35.6 | Very low | 154 Ų | 154 | 146.2 Ų | 146.2 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | 64.1 | 109.7 | 161.2 | -91.3 | 79.9 | 0 | 0 | 0 | 122.7 | | |
| 454 | D | 33.7 | Very low | 35.8 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | | | | 80.9 | 160.6 | 118.1 | -88.9 | -64.7 | 0 | 0 | 0 | 126.7 | | |
| 455 | E | 34.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 150.3 Ų | 150.3 | 65% | 0.65 | 80% | 0.798 | S | S | * | * | | | trans | -24.5 | 143.3 | -169.4 | -78.7 | -159.1 | 110.2 | 0 | 0 | 124.8 | | |
| 456 | R | 36.2 | Very low | 35.9 | Very low | 185 Ų | 185 | 153 Ų | 153 | 70% | 0.698 | 81% | 0.805 | S | S | * | * | | | | 95.1 | 144.2 | 126.3 | -87.5 | 174.2 | -176.3 | -90.5 | -6 | 125 | | |
| 457 | E | 31.4 | Very low | 36.4 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 70% | 0.696 | 80% | 0.795 | S | S | * | * | | | trans | 62.1 | 115.1 | 147 | -84.8 | 164.7 | 85.7 | 0 | 0 | 123.8 | | |
| 458 | S | 33.4 | Very low | 36.9 | Very low | 107 Ų | 107 | 155.3 Ų | 155.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -62.9 | 159.3 | 146.2 | -40.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 459 | P | 50 | Low | 36.9 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | | -149.8 | 146.1 | 93 | 36.6 | -19.1 | 0 | 0 | 0 | 118.5 | | |
| 460 | S | 35.3 | Very low | 37.3 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | trans | -7.9 | 139.9 | 145.8 | -171.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 461 | I | 37.8 | Very low | 37.7 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 90% | 0.903 | 79% | 0.793 | S | S | * | * | | | trans | -152.6 | 167.1 | 145 | -112 | 158.6 | 0 | 0 | 0 | 112 | | |
| 462 | K | 36.9 | Very low | 38.2 | Very low | 185 Ų | 185 | 155 Ų | 155 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | | | trans | -103.6 | 132 | -150.9 | -62 | 169.7 | -177.1 | 168.5 | 0 | 116.7 | | |
| 463 | R | 39.9 | Very low | 38.6 | Very low | 238 Ų | 238 | 158.6 Ų | 158.6 | 90% | 0.898 | 83% | 0.825 | S | S | * | * | | | trans | 3 | 124.8 | 133.3 | -178.3 | -147.6 | -58.4 | 160.9 | 0.2 | 117.8 | | |
| 464 | V | 36.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 158.8 Ų | 158.8 | 78% | 0.776 | 83% | 0.826 | S | S | * | * | | | trans | -133.3 | 140.6 | 139.8 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | L466 | V464-L466 HydrophobicContact CG1-CG 4.45Š|
| 465 | R | 38.6 | Very low | 39.2 | Very low | 234 Ų | 234 | 159.7 Ų | 159.7 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | | | trans | -128.7 | 145 | 162.3 | -107.1 | -175.5 | 168.9 | 96 | -5.9 | 106.3 | | |
| 466 | L | 46.9 | Very low | 39.5 | Very low | 168 Ų | 168 | 160.9 Ų | 160.9 | 88% | 0.88 | 84% | 0.84 | S | S | * | * | | | trans | -129.5 | 148.5 | 168.6 | -80.7 | 170.4 | 0 | 0 | 0 | 109 | V464 | V464-L466 HydrophobicContact CG1-CG 4.45Š|
| 467 | S | 41.2 | Very low | 39.7 | Very low | 99 Ų | 99 | 159.4 Ų | 159.4 | 69% | 0.692 | 85% | 0.849 | S | S | * | * | | | trans | -157.8 | 142.1 | -169.5 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 468 | E | 39.7 | Very low | 40.3 | Very low | 199 Ų | 199 | 160.1 Ų | 160.1 | 93% | 0.93 | 86% | 0.859 | S | S | * | * | | | trans | 66.3 | 160.5 | 165.4 | -58.5 | -174.6 | 122.1 | 0 | 0 | 118.6 | | |
| 469 | G | 36 | Very low | 40.8 | Very low | 72 Ų | 72 | 163.9 Ų | 163.9 | 74% | 0.742 | 87% | 0.867 | S | S | * | * | | | trans | 113.4 | 81.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 470 | W | 40.3 | Very low | 40.1 | Very low | 257 Ų | 257 | 166.9 Ų | 166.9 | 97% | 0.973 | 87% | 0.871 | S | S | * | * | | | trans | -128.3 | 123.7 | 157.7 | -89.8 | 68.7 | 0 | 0 | 0 | 109.2 | | |
| 471 | A | 41 | Very low | 40.5 | Very low | 99 Ų | 99 | 172.1 Ų | 172.1 | 82% | 0.818 | 88% | 0.882 | S | S | * | * | | | trans | -159.5 | 109.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 472 | T | 51.5 | Low | 40.7 | Very low | 210 Ų | 210 | 171.7 Ų | 171.7 | 100% | 1.288 | 88% | 0.88 | S | S | * | * | | | trans | -154 | 0 | 161.7 | 50.8 | 0 | 0 | 0 | 0 | 107.8 | | |