| 1 | M | 68.7 | Low | 92.8 | Very high | 230 Ų | 230 | 151.2 Ų | 151.2 | 100% | 1.133 | 72% | 0.723 | S | S | * | * | | | | 0 | 132.6 | 0 | -176.9 | 159 | 69.9 | 0 | 0 | 109.2 | | |
| 2 | G | 88 | Confident | 93.2 | Very high | 65 Ų | 65 | 151.3 Ų | 151.3 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | | | trans | -80.1 | 173.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 3 | R | 91.5 | Very high | 93.6 | Very high | 257 Ų | 257 | 145.5 Ų | 145.5 | 97% | 0.97 | 70% | 0.701 | S | S | * | * | | | trans | -71.9 | 135.5 | 172.4 | -58.6 | 178.4 | -172.7 | 170.7 | 4.1 | 109.5 | | |
| 4 | K | 94.6 | Very high | 93.9 | Very high | 180 Ų | 180 | 141.9 Ų | 141.9 | 78% | 0.783 | 68% | 0.683 | S | S | * | * | | | trans | -104.1 | 148.6 | 173.2 | -66.3 | -173.1 | 177.3 | -175.1 | 0 | 110.9 | | |
| 5 | K | 95.4 | Very high | 94.1 | Very high | 213 Ų | 213 | 145.9 Ų | 145.9 | 93% | 0.926 | 69% | 0.688 | S | S | * | * | | | trans | -64.5 | 141.8 | 166.9 | -173 | 176.3 | -178.6 | 179.4 | 0 | 108.9 | | |
| 6 | I | 95.4 | Very high | 94.3 | Very high | 93 Ų | 93 | 142.9 Ų | 142.9 | 48% | 0.477 | 68% | 0.677 | S | S | . | * | | | trans | -125.5 | 153.5 | 174.5 | 63.4 | 169.6 | 0 | 0 | 0 | 110.1 | | |
| 7 | Q | 97 | Very high | 94.6 | Very high | 154 Ų | 154 | 137.4 Ų | 137.4 | 72% | 0.72 | 65% | 0.649 | S | S | * | * | | | trans | -72.4 | 158.3 | 170.6 | -66.4 | 176.6 | -10.1 | 0 | 0 | 110.6 | T9 | Q7-T9 VanDerWaalsContact C-N 3.34Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 3.46Å |
| 8 | I | 96.9 | Very high | 94.7 | Very high | 146 Ų | 146 | 134.8 Ų | 134.8 | 75% | 0.749 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -90.9 | 75.1 | 174.8 | -53 | -56.7 | 0 | 0 | 0 | 108.5 | | |
| 9 | T | 97.7 | Very high | 94.9 | Very high | 98 Ų | 98 | 131.8 Ų | 131.8 | 60% | 0.601 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -135 | 169.4 | 178.7 | 54.4 | 0 | 0 | 0 | 0 | 110 | Q7 I11 | Q7-T9 VanDerWaalsContact C-N 3.34Å; Q7-T9 HydrophobicContact CB-CG2 4.32Å; Q7-T9 PolarHBondContact O-N 3.46Å; T9-I11 PolarHBondContact O-N 3.18Å |
| 10 | R | 97.7 | Very high | 95 | Very high | 175 Ų | 175 | 127.1 Ų | 127.1 | 66% | 0.66 | 61% | 0.608 | S | S | * | * | | | trans | -64.3 | 117.1 | 177.7 | -176.7 | 174.1 | -178.8 | 157.9 | -0.5 | 109.9 | M12 | R10-M12 HydrophobicContact CG-SD 4.46Å; R10-M12 PolarHBondContact O-N 3.05Å; R10-M12 VanDerWaalsContact O-N 3.16Å |
| 11 | I | 98 | Very high | 95.2 | Very high | 52 Ų | 52 | 123.4 Ų | 123.4 | 27% | 0.267 | 59% | 0.589 | S | S | . | * | | | trans | -64.1 | 116.7 | 171.5 | -58.8 | 174 | 0 | 0 | 0 | 107.8 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 3.18Å; I11-N16 HydrophobicContact CG2-CB 4.08Å; I11-R17 HydrophobicContact CB-CB 4.18Å; I11-R17 HydrophobicContact CG2-CB 4.09Å; I11-R17 PolarHBondContact O-NH1 2.89Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å |
| 12 | M | 97.9 | Very high | 96.6 | Very high | 152 Ų | 152 | 115.8 Ų | 115.8 | 75% | 0.749 | 56% | 0.556 | S | S | * | * | | | trans | -76.5 | -44.2 | -172.6 | -64 | -57.6 | -72.6 | 0 | 0 | 113.1 | R10 E14 R17 | R10-M12 HydrophobicContact CG-SD 4.46Å; R10-M12 PolarHBondContact O-N 3.05Å; R10-M12 VanDerWaalsContact O-N 3.16Å; M12-E14 PolarHBondContact O-N 2.88Å; M12-R17 PolarHBondContact O-NH1 3.17Å |
| 13 | D | 97.5 | Very high | 97.1 | Very high | 76 Ų | 76 | 120 Ų | 120 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -65.5 | 126.7 | 174 | 165.4 | 45 | 0 | 0 | 0 | 111.7 | R15 N16 R17 | D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 3.07Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.28Å; D13-N16 PolarHBondContact OD2-N 3.14Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 2.74Å |
| 14 | E | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 114.6 Ų | 114.6 | 45% | 0.449 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -38.3 | -179.8 | -171.3 | 65.2 | -83.3 | 0 | 0 | 112.5 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 2.88Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 2.68Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 2.88Å; E14-R17 PolarHBondContact OE1-NE 3.12Å; E14-R17 IonicContact OE1-NH2 2.81Å; E14-R17 PolarHBondContact OE1-NH2 3.4Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.21Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 3.34Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.17Å |
| 15 | R | 97.9 | Very high | 97.6 | Very high | 202 Ų | 202 | 108.2 Ų | 108.2 | 76% | 0.762 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -49.5 | -176.3 | -174.1 | 179.2 | -68.5 | 179.2 | -0.6 | 110.7 | D13 V19 | D13-R15 PolarHBondContact O-N 3.47Å; D13-R15 PolarHBondContact OD1-N 3.07Å; R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.31Å; R15-V19 VanDerWaalsContact O-N 3.1Å |
| 16 | N | 97.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 174.8 | -76.6 | -62.5 | 0 | 0 | 0 | 112.5 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.08Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.28Å; D13-N16 PolarHBondContact OD2-N 3.14Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 2.87Å; N16-T20 PolarHBondContact O-OG1 3.47Å |
| 17 | R | 98.2 | Very high | 97.9 | Very high | 50 Ų | 50 | 102.2 Ų | 102.2 | 19% | 0.189 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 173.4 | 176 | 165.6 | 59.6 | -125.8 | 9 | 111.6 | I11 M12 D13 E14 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.18Å; I11-R17 HydrophobicContact CG2-CB 4.09Å; I11-R17 PolarHBondContact O-NH1 2.89Å; M12-R17 PolarHBondContact O-NH1 3.17Å; D13-R17 WeakPolarHBondContact O-CB 3.45Å; D13-R17 PolarHBondContact O-N 2.74Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 IonicContact OE1-CZ 2.68Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 2.88Å; E14-R17 PolarHBondContact OE1-NE 3.12Å; E14-R17 IonicContact OE1-NH2 2.81Å; E14-R17 PolarHBondContact OE1-NH2 3.4Å; E14-R17 IonicContact OE2-CZ 2.88Å; E14-R17 IonicContact OE2-NE 3.21Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 3.34Å; R17-T20 PolarHBondContact O-N 2.77Å; R17-F21 WeakPolarHBondContact O-CB 3.33Å; R17-F21 PolarHBondContact O-N 3Å |
| 18 | Q | 98 | Very high | 98 | Very high | 91 Ų | 91 | 99.1 Ų | 99.1 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | -179 | 179.9 | 58.6 | 12.2 | 0 | 0 | 112.8 | E14 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.17Å; Q18-T22 WeakPolarHBondContact O-CB 3.41Å; Q18-T22 PolarHBondContact O-N 3.23Å; Q18-T22 PolarHBondContact O-OG1 3.07Å |
| 19 | V | 97.7 | Very high | 98 | Very high | 78 Ų | 78 | 93.4 Ų | 93.4 | 47% | 0.473 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | R15 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.26Å; R15-V19 PolarHBondContact O-N 3.31Å; R15-V19 VanDerWaalsContact O-N 3.1Å; V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.38Å |
| 20 | T | 97.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 94 Ų | 94 | 23% | 0.227 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70 | -41.4 | 178.4 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | I11 N16 R17 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 2.87Å; N16-T20 PolarHBondContact O-OG1 3.47Å; R17-T20 PolarHBondContact O-N 2.77Å; T20-K23 PolarHBondContact O-N 3Å; T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CB 3.39Å; T20-R24 WeakPolarHBondContact O-CG 3.38Å; T20-R24 PolarHBondContact O-N 3.13Å |
| 21 | F | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 92 Ų | 92 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -56.9 | -53.7 | 174.4 | 176.5 | -102.2 | 0 | 0 | 0 | 110.8 | R17 K23 R24 K25 I47 N49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.33Å; R17-F21 PolarHBondContact O-N 3Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.24Å; F21-R24 PolarHBondContact O-N 3.27Å; F21-K25 HydrophobicContact CE1-CD 4.09Å; F21-K25 HydrophobicContact CZ-CD 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 3.37Å; F21-I47 HydrophobicContact CE2-CG2 3.85Å; F21-I47 HydrophobicContact CZ-CG2 4.09Å; F21-N49 HydrophobicContact CE1-CB 4.38Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; F21-F55 HydrophobicContact CE1-CD2 4.09Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.76Å; F21-F55 HydrophobicContact CZ-CD2 3.76Å; F21-F55 AromaticContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CG 4.46Å; F21-F55 HydrophobicContact CZ-CZ 4.46Å |
| 22 | T | 98.1 | Very high | 98.2 | Very high | 71 Ų | 71 | 90 Ų | 90 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 179.8 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | Q18 F26 | Q18-T22 WeakPolarHBondContact O-CB 3.41Å; Q18-T22 PolarHBondContact O-N 3.23Å; Q18-T22 PolarHBondContact O-OG1 3.07Å; T22-F26 PolarHBondContact O-N 2.7Å |
| 23 | K | 97.8 | Very high | 98.2 | Very high | 154 Ų | 154 | 89.4 Ų | 89.4 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72 | -41.3 | -178.2 | -67.9 | 179 | 67.9 | 167.6 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 4.13Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.38Å; T20-K23 PolarHBondContact O-N 3Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3.24Å; K23-G27 PolarHBondContact O-N 3.4Å |
| 24 | R | 98.5 | Very high | 98.3 | Very high | 142 Ų | 142 | 88.3 Ų | 88.3 | 54% | 0.536 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 178.2 | -74.3 | -170.1 | 176.2 | -149.5 | -2.1 | 112 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CB 3.39Å; T20-R24 WeakPolarHBondContact O-CG 3.38Å; T20-R24 PolarHBondContact O-N 3.13Å; F21-R24 PolarHBondContact O-N 3.27Å; R24-F26 PolarHBondContact O-N 3.38Å; R24-G27 PolarHBondContact O-N 3.2Å; R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.68Å |
| 25 | K | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 88.2 Ų | 88.2 | 20% | 0.204 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.5 | -49.3 | 174.8 | -171 | -173.6 | 76.1 | 69.8 | 0 | 111.2 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.09Å; F21-K25 HydrophobicContact CZ-CD 4.04Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 3.37Å; K25-L28 PolarHBondContact O-N 3.32Å; K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.94Å; K25-M29 PolarHBondContact NZ-SD 3.48Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.3Å; K25-M29 PolarHBondContact O-N 3.36Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.85Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CG 3.86Å |
| 26 | F | 98.5 | Very high | 98.3 | Very high | 145 Ų | 145 | 79.2 Ų | 79.2 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.2 | -42 | 176.4 | -175.5 | -98.5 | 0 | 0 | 0 | 112.3 | T22 R24 L28 M29 K30 | T22-F26 PolarHBondContact O-N 2.7Å; R24-F26 PolarHBondContact O-N 3.38Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.2Å; F26-M29 PolarHBondContact O-N 3.32Å; F26-K30 PolarHBondContact O-N 3.35Å |
| 27 | G | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 79 Ų | 79 | 35% | 0.351 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K23 R24 K30 K31 | K23-G27 PolarHBondContact O-N 3.4Å; R24-G27 PolarHBondContact O-N 3.2Å; G27-K30 PolarHBondContact O-N 2.93Å; G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 2.95Å; G27-K31 VanDerWaalsContact O-N 3.1Å |
| 28 | L | 98.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 83.5 Ų | 83.5 | 47% | 0.466 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 176.5 | -177.5 | 60.9 | 0 | 0 | 0 | 111.7 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.22Å; R24-L28 PolarHBondContact O-N 2.68Å; K25-L28 PolarHBondContact O-N 3.32Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.2Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.18Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-K31 VanDerWaalsContact O-N 3.12Å; L28-A32 PolarHBondContact O-N 3.47Å; L28-L45 HydrophobicContact CD2-CD1 4.17Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.85Å; L28-I47 HydrophobicContact CD2-CD1 4.34Å |
| 29 | M | 98.5 | Very high | 98.4 | Very high | 27 Ų | 27 | 82.8 Ų | 82.8 | 13% | 0.133 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 174.3 | -71.6 | 165.7 | 165.9 | 0 | 0 | 111.7 | K25 F26 K31 A32 Y33 L45 Y57 | K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.94Å; K25-M29 PolarHBondContact NZ-SD 3.48Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.3Å; K25-M29 PolarHBondContact O-N 3.36Å; F26-M29 PolarHBondContact O-N 3.32Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.21Å; M29-A32 PolarHBondContact O-N 2.81Å; M29-Y33 PolarHBondContact O-N 2.68Å; M29-L45 HydrophobicContact CG-CD2 4.25Å; M29-Y57 HydrophobicContact CG-CG 4.34Å |
| 30 | K | 98.7 | Very high | 98.5 | Very high | 111 Ų | 111 | 86.7 Ų | 86.7 | 48% | 0.483 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 173.8 | -169.5 | 178.4 | -170.5 | -72 | 0 | 112.2 | F26 G27 L28 E34 | F26-K30 PolarHBondContact O-N 3.35Å; G27-K30 PolarHBondContact O-N 2.93Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.18Å; K30-E34 IonicContact NZ-OE1 3.13Å; K30-E34 PolarHBondContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CB 3.43Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.5Å |
| 31 | K | 98.8 | Very high | 98.5 | Very high | 132 Ų | 132 | 87.5 Ų | 87.5 | 57% | 0.574 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.2 | -36.2 | 176.4 | -69.7 | -144.6 | 140.7 | -63 | 0 | 113.5 | G27 L28 M29 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.41Å; G27-K31 PolarHBondContact O-N 2.95Å; G27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 2.93Å; L28-K31 VanDerWaalsContact O-N 3.12Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.21Å; K31-E34 IonicContact NZ-OE2 2.75Å; K31-E34 PolarHBondContact NZ-OE2 3.28Å; K31-E34 PolarHBondContact O-N 2.95Å; K31-L35 WeakPolarHBondContact O-CB 3.33Å; K31-L35 PolarHBondContact O-N 3.23Å |
| 32 | A | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 88.2 Ų | 88.2 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.47Å; M29-A32 PolarHBondContact O-N 2.81Å; A32-L35 PolarHBondContact O-N 3.05Å; A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 PolarHBondContact O-OG 2.92Å; A32-I43 HydrophobicContact CB-CG2 4.2Å; A32-Y57 HydrophobicContact CB-CD1 3.88Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å |
| 33 | Y | 98.6 | Very high | 98.5 | Very high | 138 Ų | 138 | 86.5 Ų | 86.5 | 54% | 0.541 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.6 | -51.6 | 172 | 169.9 | -96.3 | 0 | 0 | 0 | 112.5 | M29 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 2.68Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.07Å; Y33-S36 WeakPolarHBondContact CA-OG 3.33Å; Y33-S36 PolarHBondContact O-N 3.45Å; Y33-S36 PolarHBondContact O-OG 3.02Å; Y33-V37 HydrophobicContact CD2-CG2 4.15Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.5Å; Y33-V37 PolarHBondContact O-N 3.17Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.29Å; Y33-Y57 PolarHBondContact N-OH 2.8Å |
| 34 | E | 98.7 | Very high | 98.5 | Very high | 54 Ų | 54 | 81 Ų | 81 | 25% | 0.252 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.9 | -48.3 | 176 | -76.5 | 162.8 | -176.2 | 0 | 0 | 111.4 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 3.13Å; K30-E34 PolarHBondContact NZ-OE1 3.46Å; K30-E34 WeakPolarHBondContact O-CB 3.43Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.5Å; K31-E34 IonicContact NZ-OE2 2.75Å; K31-E34 PolarHBondContact NZ-OE2 3.28Å; K31-E34 PolarHBondContact O-N 2.95Å; E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.82Å |
| 35 | L | 98.7 | Very high | 98.5 | Very high | 94 Ų | 94 | 76 Ų | 76 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -67.6 | -42.8 | -179.8 | -175.9 | 61.3 | 0 | 0 | 0 | 112.6 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.33Å; K31-L35 PolarHBondContact O-N 3.23Å; A32-L35 PolarHBondContact O-N 3.05Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.07Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.87Å; L35-L38 PolarHBondContact O-N 2.94Å; L35-C39 HydrophobicContact CD1-CB 4.42Å; L35-C39 PolarHBondContact O-N 3.12Å; L35-C39 VanDerWaalsContact O-N 3.11Å; L35-I43 HydrophobicContact CB-CD1 4Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.94Å |
| 36 | S | 98.4 | Very high | 98.5 | Very high | 12 Ų | 12 | 77.8 Ų | 77.8 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 179 | 57.6 | 0 | 0 | 0 | 0 | 113.1 | A32 Y33 D40 C41 S59 | A32-S36 PolarHBondContact O-N 2.97Å; A32-S36 PolarHBondContact O-OG 2.92Å; Y33-S36 WeakPolarHBondContact CA-OG 3.33Å; Y33-S36 PolarHBondContact O-N 3.45Å; Y33-S36 PolarHBondContact O-OG 3.02Å; S36-D40 WeakPolarHBondContact O-CA 3.11Å; S36-D40 PolarHBondContact O-N 2.9Å; S36-C41 WeakPolarHBondContact CA-O 3.38Å; S36-C41 WeakPolarHBondContact CB-O 3.4Å; S36-C41 PolarHBondContact O-N 3.06Å; S36-S59 WeakPolarHBondContact OG-CB 3.24Å |
| 37 | V | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -81 | -35.6 | -178.6 | 175.2 | 0 | 0 | 0 | 0 | 112 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.15Å; Y33-V37 HydrophobicContact CE2-CG2 3.77Å; Y33-V37 WeakPolarHBondContact O-CG2 3.5Å; Y33-V37 PolarHBondContact O-N 3.17Å; Y33-V37 VanDerWaalsContact O-N 3.08Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 2.87Å |
| 38 | L | 98.7 | Very high | 98.5 | Very high | 145 Ų | 145 | 76.9 Ų | 76.9 | 76% | 0.759 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -77.6 | -22.9 | -179 | -71.1 | 171.4 | 0 | 0 | 0 | 113.8 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.82Å; L35-L38 PolarHBondContact O-N 2.94Å |
| 39 | C | 98.5 | Very high | 98.4 | Very high | 77 Ų | 77 | 73.9 Ų | 73.9 | 52% | 0.52 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 13.8 | -173.1 | -57.7 | 0 | 0 | 0 | 0 | 113.9 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.42Å; L35-C39 PolarHBondContact O-N 3.12Å; L35-C39 VanDerWaalsContact O-N 3.11Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.34Å; C39-C41 PolarHBondContact O-SG 3.21Å |
| 40 | D | 98.3 | Very high | 98.3 | Very high | 160 Ų | 160 | 76.4 Ų | 76.4 | 86% | 0.856 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 51.6 | -176.8 | -161.3 | 24.5 | 0 | 0 | 0 | 113.5 | S36 | S36-D40 WeakPolarHBondContact O-CA 3.11Å; S36-D40 PolarHBondContact O-N 2.9Å |
| 41 | C | 97.3 | Very high | 98.2 | Very high | 53 Ų | 53 | 75.6 Ų | 75.6 | 36% | 0.358 | 41% | 0.406 | S | S | . | . | | | trans | -111.3 | 128.5 | -169.5 | -77.8 | 0 | 0 | 0 | 0 | 113.1 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.38Å; S36-C41 WeakPolarHBondContact CB-O 3.4Å; S36-C41 PolarHBondContact O-N 3.06Å; C39-C41 VanDerWaalsContact C-N 3.34Å; C39-C41 PolarHBondContact O-N 3.34Å; C39-C41 PolarHBondContact O-SG 3.21Å; C41-I43 HydrophobicContact CB-CD1 4.29Å; C41-I43 HydrophobicContact CB-CG1 4.18Å; C41-I43 PolarHBondContact O-N 3.16Å; C41-S59 PolarHBondContact O-OG 3.24Å; C41-S59 VanDerWaalsContact O-OG 3.07Å |
| 42 | E | 98.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 75.9 Ų | 75.9 | 30% | 0.299 | 41% | 0.413 | S | S | . | . | | | trans | -75.5 | 118.4 | 167 | -66.3 | -169.9 | 120.9 | 0 | 0 | 110.1 | K64 V65 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.46Å; E42-V65 HydrophobicContact CB-CG2 4.21Å; E42-K68 IonicContact OE2-NZ 3.31Å; E42-K68 PolarHBondContact OE2-NZ 3.18Å |
| 43 | I | 98.4 | Very high | 98.1 | Very high | 35 Ų | 35 | 81.5 Ų | 81.5 | 18% | 0.179 | 44% | 0.436 | C | S | . | . | | | trans | -130.4 | 125.9 | -175 | -60.4 | 176 | 0 | 0 | 0 | 108.7 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.2Å; L35-I43 HydrophobicContact CB-CD1 4Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.94Å; C41-I43 HydrophobicContact CB-CD1 4.29Å; C41-I43 HydrophobicContact CB-CG1 4.18Å; C41-I43 PolarHBondContact O-N 3.16Å; I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.22Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; I43-S59 PolarHBondContact N-OG 2.69Å; I43-S59 PolarHBondContact O-N 3.08Å |
| 44 | A | 98.5 | Very high | 98.1 | Very high | 40 Ų | 40 | 79 Ų | 79 | 33% | 0.331 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 144.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | M62 V65 | A44-M62 HydrophobicContact CB-CE 4.49Å; A44-M62 HydrophobicContact CB-SD 4.01Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.62Å |
| 45 | L | 98.5 | Very high | 98.1 | Very high | 36 Ų | 36 | 79.5 Ų | 79.5 | 19% | 0.188 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 118 | -179.7 | 174.4 | 62.3 | 0 | 0 | 0 | 109.8 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.17Å; L28-L45 HydrophobicContact CD2-CD2 3.92Å; L28-L45 HydrophobicContact CG-CD2 3.85Å; M29-L45 HydrophobicContact CG-CD2 4.25Å; L45-I47 HydrophobicContact CD1-CD1 4.33Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.15Å; L45-Y57 HydrophobicContact CB-CD1 4.28Å; L45-Y57 PolarHBondContact N-O 3.33Å; L45-Y57 PolarHBondContact O-N 3.31Å |
| 46 | I | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 79.8 Ų | 79.8 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 130.4 | 179.2 | -66.7 | 174 | 0 | 0 | 0 | 108.9 | F48 L54 L66 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.35Å; I46-L54 HydrophobicContact CG2-CD1 3.84Å; I46-L66 HydrophobicContact CD1-CD2 4.27Å |
| 47 | I | 98.6 | Very high | 98.1 | Very high | 31 Ų | 31 | 81.3 Ų | 81.3 | 16% | 0.159 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 112.8 | -179.2 | -57 | 171.2 | 0 | 0 | 0 | 109.3 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.85Å; F21-I47 HydrophobicContact CZ-CG2 4.09Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.34Å; L45-I47 HydrophobicContact CD1-CD1 4.33Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.14Å; L45-I47 HydrophobicContact CG-CD1 4.14Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; I47-F55 HydrophobicContact CB-CB 4.43Å; I47-F55 PolarHBondContact N-O 3.04Å; I47-F55 PolarHBondContact O-N 3.29Å |
| 48 | F | 98.6 | Very high | 98.1 | Very high | 130 Ų | 130 | 77.9 Ų | 77.9 | 57% | 0.57 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 135.8 | 163.7 | -65.5 | -82.5 | 0 | 0 | 0 | 109.8 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.35Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.49Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 4.01Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å |
| 49 | N | 96.8 | Very high | 98.1 | Very high | 25 Ų | 25 | 72.8 Ų | 72.8 | 13% | 0.134 | 39% | 0.393 | C | S | . | . | | | trans | -87.9 | 176.1 | 170.9 | 87.7 | -28.3 | 0 | 0 | 0 | 111.5 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.38Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; N49-T51 PolarHBondContact ND2-OG1 3.32Å; N49-T51 PolarHBondContact O-N 3.4Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.28Å; N49-T51 WeakPolarHBondContact OD1-CB 3.37Å; N49-T51 PolarHBondContact OD1-N 2.91Å; N49-N52 PolarHBondContact O-N 2.77Å; N49-N52 PolarHBondContact OD1-N 2.71Å; N49-K53 PolarHBondContact N-O 2.59Å; N49-K53 VanDerWaalsContact N-O 3.12Å; N49-K53 WeakPolarHBondContact OD1-CB 3.48Å; N49-K53 PolarHBondContact OD1-N 2.72Å; N49-F55 HydrophobicContact CB-CE2 4.12Å |
| 50 | S | 96 | Very high | 98 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 57% | 0.566 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 14.1 | 175.6 | 58.1 | 0 | 0 | 0 | 0 | 115.4 | | |
| 51 | T | 96.7 | Very high | 97.9 | Very high | 94 Ų | 94 | 69.7 Ų | 69.7 | 58% | 0.577 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.1 | 17.7 | 171.9 | -29.5 | 0 | 0 | 0 | 0 | 110.2 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 3.32Å; N49-T51 PolarHBondContact O-N 3.4Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.28Å; N49-T51 WeakPolarHBondContact OD1-CB 3.37Å; N49-T51 PolarHBondContact OD1-N 2.91Å; T51-K53 PolarHBondContact O-N 3.26Å |
| 52 | N | 97.4 | Very high | 98 | Very high | 137 Ų | 137 | 68.1 Ų | 68.1 | 73% | 0.733 | 36% | 0.362 | S | S | * | . | | | trans | 53.8 | 21.7 | -176.3 | -57.4 | -15.5 | 0 | 0 | 0 | 114.7 | N49 L54 | N49-N52 PolarHBondContact O-N 2.77Å; N49-N52 PolarHBondContact OD1-N 2.71Å; N52-L54 PolarHBondContact O-N 3.14Å |
| 53 | K | 98.2 | Very high | 98 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | | | trans | -78.3 | 122 | 173.3 | -63 | -171.1 | 177.8 | -171.2 | 0 | 109.4 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 2.59Å; N49-K53 VanDerWaalsContact N-O 3.12Å; N49-K53 WeakPolarHBondContact OD1-CB 3.48Å; N49-K53 PolarHBondContact OD1-N 2.72Å; T51-K53 PolarHBondContact O-N 3.26Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.46Å; K53-F55 WeakPolarHBondContact O-CD2 3.47Å; K53-F55 WeakPolarHBondContact O-CE2 3.41Å |
| 54 | L | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 74.8 Ų | 74.8 | 44% | 0.44 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 134.3 | 174.2 | 176.9 | 59.5 | 0 | 0 | 0 | 111 | I46 F48 N52 Q56 | I46-L54 HydrophobicContact CG2-CD1 3.84Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.49Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 4.01Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.94Å; N52-L54 PolarHBondContact O-N 3.14Å; L54-Q56 HydrophobicContact CD1-CB 4.49Å |
| 55 | F | 98.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 73.8 Ų | 73.8 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 129.4 | 162.6 | -57.4 | -95.7 | 0 | 0 | 0 | 107.6 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.09Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.76Å; F21-F55 HydrophobicContact CZ-CD2 3.76Å; F21-F55 AromaticContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CE2 3.77Å; F21-F55 HydrophobicContact CZ-CG 4.46Å; F21-F55 HydrophobicContact CZ-CZ 4.46Å; K25-F55 HydrophobicContact CD-CB 3.85Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CG 3.86Å; I47-F55 HydrophobicContact CB-CB 4.43Å; I47-F55 PolarHBondContact N-O 3.04Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.12Å; K53-F55 HydrophobicContact CB-CE2 4Å; K53-F55 HydrophobicContact CB-CZ 4.46Å; K53-F55 WeakPolarHBondContact O-CD2 3.47Å; K53-F55 WeakPolarHBondContact O-CE2 3.41Å |
| 56 | Q | 98.4 | Very high | 97.9 | Very high | 100 Ų | 100 | 75.2 Ų | 75.2 | 47% | 0.467 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 160.9 | -175.9 | 80 | -166.6 | 53.1 | 0 | 0 | 112.3 | L45 L54 M62 | L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.15Å; L54-Q56 HydrophobicContact CD1-CB 4.49Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.88Å |
| 57 | Y | 98.7 | Very high | 97.8 | Very high | 45 Ų | 45 | 76.3 Ų | 76.3 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 140.9 | 169.5 | 164 | -93.1 | 0 | 0 | 0 | 108.9 | M29 A32 Y33 L45 S59 M62 | M29-Y57 HydrophobicContact CG-CG 4.34Å; A32-Y57 HydrophobicContact CB-CD1 3.88Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.29Å; Y33-Y57 PolarHBondContact N-OH 2.8Å; L45-Y57 HydrophobicContact CB-CD1 4.28Å; L45-Y57 PolarHBondContact N-O 3.33Å; L45-Y57 PolarHBondContact O-N 3.31Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.19Å |
| 58 | A | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 78.6 Ų | 78.6 | 16% | 0.157 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | I43 T60 M62 | I43-A58 CarbonylContact O-C 3.52Å; I43-A58 VanDerWaalsContact O-CA 3.22Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; A58-T60 VanDerWaalsContact CB-O 3.23Å; A58-T60 WeakPolarHBondContact CB-O 3.48Å; A58-M62 HydrophobicContact CB-CB 4.41Å; A58-M62 HydrophobicContact CB-CE 3.99Å |
| 59 | S | 98.2 | Very high | 97.7 | Very high | 38 Ų | 38 | 80.3 Ų | 80.3 | 27% | 0.266 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -75.3 | -28.1 | 169.6 | 56.1 | 0 | 0 | 0 | 0 | 112.5 | S36 C41 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.24Å; C41-S59 PolarHBondContact O-OG 3.24Å; C41-S59 VanDerWaalsContact O-OG 3.07Å; I43-S59 PolarHBondContact N-OG 2.69Å; I43-S59 PolarHBondContact O-N 3.08Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å |
| 60 | T | 96.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 84.1 Ų | 84.1 | 39% | 0.393 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -121.7 | -135.2 | 169.6 | 56.8 | 0 | 0 | 0 | 0 | 109 | A58 | A58-T60 VanDerWaalsContact CB-O 3.23Å; A58-T60 WeakPolarHBondContact CB-O 3.48Å |
| 61 | D | 97.3 | Very high | 97.7 | Very high | 109 Ų | 109 | 86.3 Ų | 86.3 | 58% | 0.583 | 44% | 0.436 | S | S | * | . | | | trans | -86.7 | 132.1 | 179 | -54.1 | -77.7 | 0 | 0 | 0 | 111.6 | D63 K64 V65 | D61-D63 PolarHBondContact O-N 3.35Å; D61-K64 HydrophobicContact CB-CB 3.94Å; D61-K64 PolarHBondContact O-N 2.91Å; D61-V65 PolarHBondContact O-N 3.38Å |
| 62 | M | 98.2 | Very high | 97.6 | Very high | 20 Ų | 20 | 89 Ų | 89 | 10% | 0.099 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.3 | -49.1 | -179.4 | -178.7 | 62.1 | 60.8 | 0 | 0 | 111.8 | A44 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.49Å; A44-M62 HydrophobicContact CB-SD 4.01Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.88Å; Y57-M62 VanDerWaalsContact O-CE 3.22Å; Y57-M62 WeakPolarHBondContact O-CE 3.19Å; A58-M62 HydrophobicContact CB-CB 4.41Å; A58-M62 HydrophobicContact CB-CE 3.99Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 3.43Å; M62-V65 PolarHBondContact O-N 2.98Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.27Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.92Å; M62-L66 HydrophobicContact SD-CG 4.04Å |
| 63 | D | 97.9 | Very high | 97.3 | Very high | 129 Ų | 129 | 90.8 Ų | 90.8 | 69% | 0.69 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.3 | -31.2 | -174.3 | -51.6 | -42.2 | 0 | 0 | 0 | 111.6 | D61 L67 | D61-D63 PolarHBondContact O-N 3.35Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.33Å |
| 64 | K | 97.8 | Very high | 97 | Very high | 109 Ų | 109 | 92.3 Ų | 92.3 | 47% | 0.474 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -47.4 | 173.4 | -173 | -161.4 | 179.3 | -158.3 | 0 | 111.4 | E42 D61 M62 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.45Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.46Å; D61-K64 HydrophobicContact CB-CB 3.94Å; D61-K64 PolarHBondContact O-N 2.91Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 3.43Å; K64-K68 WeakPolarHBondContact O-CB 3.31Å; K64-K68 PolarHBondContact O-N 3.47Å |
| 65 | V | 98.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 91.6 Ų | 91.6 | 12% | 0.115 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.4 | -33.9 | -179.6 | -177 | 0 | 0 | 0 | 0 | 111.3 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.21Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.62Å; D61-V65 PolarHBondContact O-N 3.38Å; M62-V65 PolarHBondContact O-N 2.98Å; V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.45Å |
| 66 | L | 97.8 | Very high | 96.7 | Very high | 66 Ų | 66 | 98 Ų | 98 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.3 | -39.8 | 174.8 | -68.2 | 178.7 | 0 | 0 | 0 | 112.9 | I46 M62 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.27Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.27Å; M62-L66 PolarHBondContact O-N 2.99Å; M62-L66 HydrophobicContact SD-CD1 3.92Å; M62-L66 HydrophobicContact SD-CG 4.04Å; L66-Y69 WeakPolarHBondContact O-CB 3.43Å; L66-Y69 PolarHBondContact O-N 3.12Å; L66-T70 PolarHBondContact O-N 2.89Å; L66-T70 VanDerWaalsContact O-N 3.07Å |
| 67 | L | 97.3 | Very high | 96.6 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -49.5 | 172.7 | 179.1 | 62.2 | 0 | 0 | 0 | 110.4 | D63 Y69 T70 E71 | D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.33Å; L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 PolarHBondContact O-N 2.98Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 3.38Å; L67-E71 PolarHBondContact O-N 3.11Å |
| 68 | K | 97.1 | Very high | 96.5 | Very high | 80 Ų | 80 | 101.1 Ų | 101.1 | 35% | 0.348 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -55.5 | -42.2 | 173.4 | -170 | -175 | -170.8 | -176.1 | 0 | 111.8 | E42 K64 T70 E71 Y72 | E42-K68 IonicContact OE2-NZ 3.31Å; E42-K68 PolarHBondContact OE2-NZ 3.18Å; K64-K68 WeakPolarHBondContact O-CB 3.31Å; K64-K68 PolarHBondContact O-N 3.47Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 3.05Å; K68-E71 WeakPolarHBondContact O-CB 3.33Å; K68-E71 PolarHBondContact O-N 2.83Å; K68-E71 VanDerWaalsContact O-N 3.13Å; K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.48Å |
| 69 | Y | 97.3 | Very high | 96.4 | Very high | 165 Ų | 165 | 107.2 Ų | 107.2 | 65% | 0.647 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.3 | -37.8 | 175.5 | 175.5 | -104.9 | 0 | 0 | 0 | 112.6 | V65 L66 L67 E71 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.41Å; V65-Y69 PolarHBondContact O-N 3.45Å; L66-Y69 WeakPolarHBondContact O-CB 3.43Å; L66-Y69 PolarHBondContact O-N 3.12Å; L67-Y69 VanDerWaalsContact C-N 3.28Å; L67-Y69 PolarHBondContact O-N 2.98Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 3.49Å; Y69-Y72 PolarHBondContact O-N 2.93Å |
| 70 | T | 96.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 108.9 Ų | 108.9 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -73.4 | -10.9 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 115.1 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 2.89Å; L66-T70 VanDerWaalsContact O-N 3.07Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-T70 PolarHBondContact O-OG1 3.38Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 3.05Å |
| 71 | E | 96.8 | Very high | 96.5 | Very high | 127 Ų | 127 | 112.3 Ų | 112.3 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -82.7 | -16 | 174.2 | -65.9 | 166.9 | 175.4 | 0 | 0 | 112.7 | L67 K68 Y69 | L67-E71 PolarHBondContact O-N 3.11Å; K68-E71 WeakPolarHBondContact O-CB 3.33Å; K68-E71 PolarHBondContact O-N 2.83Å; K68-E71 VanDerWaalsContact O-N 3.13Å; Y69-E71 VanDerWaalsContact C-N 3.27Å; Y69-E71 PolarHBondContact O-N 3.49Å |
| 72 | Y | 94.1 | Very high | 96.5 | Very high | 151 Ų | 151 | 111.2 Ų | 111.2 | 59% | 0.592 | 56% | 0.556 | S | S | * | * | | | trans | -102.7 | 118.2 | -178.5 | -75 | -112.2 | 0 | 0 | 0 | 110.9 | K68 Y69 E74 | K68-Y72 HydrophobicContact CG-CE2 4.16Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.48Å; Y69-Y72 PolarHBondContact O-N 2.93Å; Y72-E74 VanDerWaalsContact C-N 3.35Å; Y72-E74 PolarHBondContact O-N 3.18Å |
| 73 | N | 91.1 | Very high | 96.4 | Very high | 174 Ų | 174 | 112.8 Ų | 112.8 | 93% | 0.93 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -70.1 | -28.3 | 179.1 | -61.3 | -76 | 0 | 0 | 0 | 113.6 | | |
| 74 | E | 92.7 | Very high | 96.4 | Very high | 162 Ų | 162 | 110.7 Ų | 110.7 | 76% | 0.757 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -144.8 | 134.9 | -177.7 | -169.5 | 174.6 | 180 | 0 | 0 | 110.8 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.35Å; Y72-E74 PolarHBondContact O-N 3.18Å |
| 75 | P | 95.1 | Very high | 96.3 | Very high | 68 Ų | 68 | 109.3 Ų | 109.3 | 44% | 0.442 | 55% | 0.554 | S | S | . | * | | | trans | -81.4 | 134.8 | 176.2 | 32.4 | -34.6 | 0 | 0 | 0 | 112 | E77 | P75-E77 PolarHBondContact O-N 3.03Š|
| 76 | H | 94.9 | Very high | 96.2 | Very high | 201 Ų | 201 | 114 Ų | 114 | 93% | 0.931 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -55.4 | -34.2 | 176.8 | 177.4 | -80.7 | 0 | 0 | 0 | 113.8 | | |
| 77 | E | 97 | Very high | 96.1 | Very high | 123 Ų | 123 | 113.7 Ų | 113.7 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -139.5 | 129.5 | 168.4 | -175.5 | 174.6 | -179.4 | 0 | 0 | 109.4 | P75 R79 | P75-E77 PolarHBondContact O-N 3.03Å; E77-R79 HydrophobicContact CG-CG 4.28Å; E77-R79 IonicContact OE1-CZ 3.23Å; E77-R79 IonicContact OE1-NE 2.68Å; E77-R79 PolarHBondContact OE1-NE 2.75Å; E77-R79 IonicContact OE1-NH2 2.75Å; E77-R79 PolarHBondContact OE1-NH2 3.38Å |
| 78 | S | 96 | Very high | 95.9 | Very high | 86 Ų | 86 | 114.1 Ų | 114.1 | 60% | 0.601 | 58% | 0.577 | S | S | * | * | | | trans | -118.9 | 139.8 | 172.2 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 79 | R | 97.3 | Very high | 95.8 | Very high | 147 Ų | 147 | 117.5 Ų | 117.5 | 56% | 0.555 | 59% | 0.588 | S | S | * | * | | | trans | -141.3 | 131.7 | -179.9 | -64.7 | -64.3 | -178.8 | -159.5 | -6.6 | 111.1 | E77 | E77-R79 HydrophobicContact CG-CG 4.28Å; E77-R79 IonicContact OE1-CZ 3.23Å; E77-R79 IonicContact OE1-NE 2.68Å; E77-R79 PolarHBondContact OE1-NE 2.75Å; E77-R79 IonicContact OE1-NH2 2.75Å; E77-R79 PolarHBondContact OE1-NH2 3.38Å |
| 80 | T | 98.2 | Very high | 95.6 | Very high | 73 Ų | 73 | 116.1 Ų | 116.1 | 45% | 0.448 | 59% | 0.585 | S | S | . | * | | | trans | -106 | 176.7 | 171.6 | 78.8 | 0 | 0 | 0 | 0 | 110.8 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 3.42Å; T80-S82 WeakPolarHBondContact OG1-CB 3.23Å; T80-S82 PolarHBondContact OG1-N 3.45Å; T80-S82 VanDerWaalsContact OG1-N 3.14Å; T80-D83 WeakPolarHBondContact CA-OD2 3.39Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 2.87Å; T80-D83 PolarHBondContact O-N 2.83Å; T80-D83 PolarHBondContact OG1-OD2 2.59Å; T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 3.27Å |
| 81 | N | 97.6 | Very high | 95.3 | Very high | 137 Ų | 137 | 119 Ų | 119 | 73% | 0.733 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.7 | -30.2 | 171.8 | -69.5 | -34.9 | 0 | 0 | 0 | 112.6 | V85 | N81-V85 WeakPolarHBondContact O-CB 3.27Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.15Å; N81-V85 PolarHBondContact O-N 2.85Å |
| 82 | S | 97.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 115.9 Ų | 115.9 | 59% | 0.594 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.1 | -48 | -179.9 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 3.42Å; T80-S82 WeakPolarHBondContact OG1-CB 3.23Å; T80-S82 PolarHBondContact OG1-N 3.45Å; T80-S82 VanDerWaalsContact OG1-N 3.14Å; S82-I84 VanDerWaalsContact C-N 3.3Å; S82-I84 PolarHBondContact O-N 2.91Å; S82-V85 PolarHBondContact O-N 3.23Å; S82-E86 PolarHBondContact O-N 2.8Å |
| 83 | D | 97.2 | Very high | 92 | Very high | 54 Ų | 54 | 115.7 Ų | 115.7 | 29% | 0.289 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.6 | -39.3 | 179.4 | -49 | -88.7 | 0 | 0 | 0 | 111.7 | T80 E86 T87 | T80-D83 WeakPolarHBondContact CA-OD2 3.39Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 2.87Å; T80-D83 PolarHBondContact O-N 2.83Å; T80-D83 PolarHBondContact OG1-OD2 2.59Å; D83-E86 PolarHBondContact O-N 3.1Å; D83-T87 VanDerWaalsContact O-CB 3.29Å; D83-T87 WeakPolarHBondContact O-CB 3.34Å; D83-T87 PolarHBondContact O-N 3.37Å; D83-T87 PolarHBondContact O-OG1 2.82Å |
| 84 | I | 96.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 112.3 Ų | 112.3 | 44% | 0.436 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.1 | -44.5 | 176.9 | -63.8 | 167.1 | 0 | 0 | 0 | 110.2 | T80 S82 T87 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.4Å; T80-I84 PolarHBondContact O-N 3.27Å; S82-I84 VanDerWaalsContact C-N 3.3Å; S82-I84 PolarHBondContact O-N 2.91Å; I84-T87 PolarHBondContact O-N 3.03Å; I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.33Å |
| 85 | V | 95.8 | Very high | 88.1 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 49% | 0.485 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.3 | -35 | 177.2 | 167.7 | 0 | 0 | 0 | 0 | 111.8 | N81 S82 R89 | N81-V85 WeakPolarHBondContact O-CB 3.27Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.15Å; N81-V85 PolarHBondContact O-N 2.85Å; S82-V85 PolarHBondContact O-N 3.23Å; V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 2.75Å; V85-R89 PolarHBondContact O-NE 3.3Å |
| 86 | E | 96.2 | Very high | 85.6 | Confident | 118 Ų | 118 | 110.8 Ų | 110.8 | 55% | 0.551 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.3 | -48.2 | 171.6 | -170 | 168 | 142.1 | 0 | 0 | 112.4 | S82 D83 L88 R89 K90 | S82-E86 PolarHBondContact O-N 2.8Å; D83-E86 PolarHBondContact O-N 3.1Å; E86-L88 PolarHBondContact O-N 2.83Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE2-NH2 2.71Å; E86-K90 PolarHBondContact O-N 3.42Å |
| 87 | T | 95.6 | Very high | 83.1 | Confident | 58 Ų | 58 | 108.1 Ų | 108.1 | 36% | 0.356 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -56.8 | -40.2 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | D83 I84 K91 | D83-T87 VanDerWaalsContact O-CB 3.29Å; D83-T87 WeakPolarHBondContact O-CB 3.34Å; D83-T87 PolarHBondContact O-N 3.37Å; D83-T87 PolarHBondContact O-OG1 2.82Å; I84-T87 PolarHBondContact O-N 3.03Å; T87-K91 HydrophobicContact CG2-CD 4.08Å; T87-K91 WeakPolarHBondContact O-CB 3.31Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.21Å; T87-K91 PolarHBondContact O-N 3.28Å |
| 88 | L | 94.3 | Very high | 81.1 | Confident | 117 Ų | 117 | 107.2 Ų | 107.2 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70 | -34 | 175.9 | -71.9 | 170.7 | 0 | 0 | 0 | 113.2 | I84 E86 G92 | I84-L88 HydrophobicContact CG2-CD1 4.02Å; I84-L88 WeakPolarHBondContact O-CB 3.32Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.36Å; I84-L88 PolarHBondContact O-N 3.33Å; E86-L88 PolarHBondContact O-N 2.83Å; L88-G92 PolarHBondContact O-N 3.26Å |
| 89 | R | 93.7 | Very high | 79 | Confident | 151 Ų | 151 | 108.9 Ų | 108.9 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69 | -47.2 | 173 | -74.6 | 176.9 | -64.4 | 156.2 | 5.3 | 111.3 | V85 E86 G92 L93 | V85-R89 VanDerWaalsContact O-CG 3.27Å; V85-R89 WeakPolarHBondContact O-CG 3.4Å; V85-R89 PolarHBondContact O-N 2.75Å; V85-R89 PolarHBondContact O-NE 3.3Å; E86-R89 PolarHBondContact O-N 3.31Å; E86-R89 IonicContact OE2-NH2 2.71Å; R89-G92 WeakPolarHBondContact O-CA 3.35Å; R89-G92 PolarHBondContact O-N 3.05Å; R89-L93 PolarHBondContact O-N 3.1Å |
| 90 | K | 93.8 | Very high | 76.8 | Confident | 136 Ų | 136 | 108.8 Ų | 108.8 | 59% | 0.591 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.2 | -48.9 | 177.5 | -169.6 | 172.5 | -177.5 | 172.7 | 0 | 111.3 | E86 G92 L93 N94 | E86-K90 PolarHBondContact O-N 3.42Å; K90-G92 PolarHBondContact O-N 3.5Å; K90-G92 VanDerWaalsContact O-N 3.11Å; K90-L93 PolarHBondContact O-N 2.88Å; K90-N94 WeakPolarHBondContact CG-OD1 3.17Å; K90-N94 WeakPolarHBondContact O-CB 3.23Å; K90-N94 PolarHBondContact O-N 3.18Å; K90-N94 PolarHBondContact O-OD1 2.84Å |
| 91 | K | 88.8 | Confident | 74.8 | Confident | 165 Ų | 165 | 110.8 Ų | 110.8 | 72% | 0.717 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -12.8 | 173.2 | -69.1 | -179.5 | -179.9 | -176 | 0 | 114.1 | T87 | T87-K91 HydrophobicContact CG2-CD 4.08Å; T87-K91 WeakPolarHBondContact O-CB 3.31Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.21Å; T87-K91 PolarHBondContact O-N 3.28Å |
| 92 | G | 67.9 | Low | 72.4 | Confident | 62 Ų | 62 | 111.2 Ų | 111.2 | 64% | 0.639 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -12.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L88 R89 K90 | L88-G92 PolarHBondContact O-N 3.26Å; R89-G92 WeakPolarHBondContact O-CA 3.35Å; R89-G92 PolarHBondContact O-N 3.05Å; K90-G92 PolarHBondContact O-N 3.5Å; K90-G92 VanDerWaalsContact O-N 3.11Å |
| 93 | L | 55.8 | Low | 70.5 | Confident | 148 Ų | 148 | 111.7 Ų | 111.7 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -34.8 | 174.4 | -89.8 | 77.6 | 0 | 0 | 0 | 113 | R89 K90 G95 | R89-L93 PolarHBondContact O-N 3.1Å; K90-L93 PolarHBondContact O-N 2.88Å; L93-G95 PolarHBondContact O-N 3.43Å |
| 94 | N | 51.3 | Low | 68.1 | Low | 103 Ų | 103 | 116.6 Ų | 116.6 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | | | trans | -77.6 | 42.2 | -174.9 | -70.4 | 76.4 | 0 | 0 | 0 | 114.1 | K90 | K90-N94 WeakPolarHBondContact CG-OD1 3.17Å; K90-N94 WeakPolarHBondContact O-CB 3.23Å; K90-N94 PolarHBondContact O-N 3.18Å; K90-N94 PolarHBondContact O-OD1 2.84Å |
| 95 | G | 49.8 | Very low | 65.9 | Low | 66 Ų | 66 | 119.2 Ų | 119.2 | 68% | 0.68 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -98 | 106.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | L93 | L93-G95 PolarHBondContact O-N 3.43Š|
| 96 | C | 42.7 | Very low | 63.8 | Low | 132 Ų | 132 | 119.7 Ų | 119.7 | 89% | 0.892 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 71.7 | 77 | -169.4 | -168.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 97 | D | 41.8 | Very low | 61.5 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 71% | 0.708 | S | S | * | * | | | | -150.6 | 138.5 | 127 | -163 | 40.8 | 0 | 0 | 0 | 109.3 | | |
| 98 | S | 54.5 | Low | 59 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | | | trans | -133.8 | 122.4 | -179 | -173.6 | 0 | 0 | 0 | 0 | 108.5 | D100 | S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.13Å |
| 99 | P | 53 | Low | 56.4 | Low | 121 Ų | 121 | 125.4 Ų | 125.4 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | | | trans | -76.5 | 106 | -172.4 | 30.2 | -33.8 | 0 | 0 | 0 | 110.8 | | |
| 100 | D | 51.6 | Low | 53.9 | Low | 146 Ų | 146 | 122.8 Ų | 122.8 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | | | trans | -100.1 | 115.8 | 166.9 | -145.2 | -4.7 | 0 | 0 | 0 | 108.1 | S98 D102 | S98-D100 PolarHBondContact O-N 2.81Å; S98-D100 VanDerWaalsContact O-N 3.13Å; D100-D102 PolarHBondContact O-N 2.74Å |
| 101 | P | 54.4 | Low | 51.8 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 74% | 0.74 | S | S | * | * | | | trans | -97.7 | 52.3 | -160.1 | 39.2 | -38.3 | 0 | 0 | 0 | 114.2 | | |
| 102 | D | 48.5 | Very low | 49.9 | Very low | 147 Ų | 147 | 119.9 Ų | 119.9 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | | | trans | -135.1 | 148.1 | -176.4 | -94.6 | -55.8 | 0 | 0 | 0 | 114.8 | D100 | D100-D102 PolarHBondContact O-N 2.74Š|
| 103 | A | 57.3 | Low | 49.5 | Very low | 94 Ų | 94 | 121.1 Ų | 121.1 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | | | trans | 58.3 | 97.3 | 162.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 104 | D | 47.5 | Very low | 49.4 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | | 40.9 | 144.8 | 120.4 | -123.2 | -79.3 | 0 | 0 | 0 | 124.4 | | |
| 105 | D | 49.8 | Very low | 50 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | | | trans | 71.8 | 141 | 161.5 | -136.2 | -27.2 | 0 | 0 | 0 | 122.5 | | |
| 106 | S | 51.5 | Low | 50.5 | Low | 91 Ų | 91 | 122.5 Ų | 122.5 | 64% | 0.636 | 72% | 0.723 | S | S | * | * | | | trans | 54 | 107.4 | 153.2 | -75.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 107 | V | 48.7 | Very low | 51.6 | Low | 149 Ų | 149 | 124.8 Ų | 124.8 | 90% | 0.903 | 71% | 0.714 | S | S | * | * | | | | 46.6 | 105.2 | 124 | -173.6 | 0 | 0 | 0 | 0 | 118.2 | | |
| 108 | G | 42.4 | Very low | 53 | Low | 73 Ų | 73 | 123 Ų | 123 | 75% | 0.753 | 70% | 0.697 | S | S | * | * | | | trans | -163.4 | 33.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | S110 | G108-S110 PolarHBondContact O-N 3.16Š|
| 109 | H | 39.3 | Very low | 54 | Low | 190 Ų | 190 | 124.8 Ų | 124.8 | 88% | 0.88 | 69% | 0.691 | S | S | * | * | | | trans | -65.4 | 117.9 | 171.1 | -80.4 | -74.2 | 0 | 0 | 0 | 111.2 | P111 | H109-P111 WeakPolarHBondContact O-CD 3.42Š|
| 110 | S | 40.6 | Very low | 55.2 | Low | 96 Ų | 96 | 122.9 Ų | 122.9 | 67% | 0.671 | 67% | 0.674 | S | S | * | * | | | trans | -97 | 109.5 | 168.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | G108 | G108-S110 PolarHBondContact O-N 3.16Š|
| 111 | P | 50.7 | Low | 56.5 | Low | 74 Ų | 74 | 120.5 Ų | 120.5 | 48% | 0.481 | 66% | 0.661 | S | S | . | * | | | trans | -102.8 | 8.5 | -173 | 5.8 | 17.4 | 0 | 0 | 0 | 114.2 | H109 S113 E114 | H109-P111 WeakPolarHBondContact O-CD 3.42Å; P111-S113 PolarHBondContact O-N 3.18Å; P111-E114 PolarHBondContact O-N 3.2Å; P111-E114 VanDerWaalsContact O-N 3.11Å |
| 112 | E | 48.8 | Very low | 57.7 | Low | 166 Ų | 166 | 120.6 Ų | 120.6 | 78% | 0.776 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -9.5 | -161.6 | -64.1 | -166.2 | 101.4 | 0 | 0 | 116.6 | | |
| 113 | S | 58.6 | Low | 59.4 | Low | 89 Ų | 89 | 117.4 Ų | 117.4 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -30.7 | 176.8 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | P111 Y117 | P111-S113 PolarHBondContact O-N 3.18Å; S113-Y117 VanDerWaalsContact O-CD2 3.28Å; S113-Y117 WeakPolarHBondContact O-CD2 3.29Å |
| 114 | E | 55.1 | Low | 60.6 | Low | 114 Ų | 114 | 117 Ų | 117 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -84.7 | -41 | -167.5 | -159.4 | 178.3 | 97.6 | 0 | 0 | 112.4 | P111 K116 Y117 R118 | P111-E114 PolarHBondContact O-N 3.2Å; P111-E114 VanDerWaalsContact O-N 3.11Å; E114-K116 PolarHBondContact O-N 3.07Å; E114-Y117 PolarHBondContact O-N 2.95Å; E114-R118 PolarHBondContact O-N 2.84Å; E114-R118 VanDerWaalsContact O-N 3.08Å; E114-R118 IonicContact OE1-CZ 3.55Å; E114-R118 IonicContact OE1-NH1 2.69Å; E114-R118 PolarHBondContact OE1-NH1 3.49Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 2.7Å |
| 115 | D | 62.8 | Low | 62.2 | Low | 82 Ų | 82 | 113.8 Ų | 113.8 | 44% | 0.439 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.5 | -25.6 | 177.8 | -66.6 | -40 | 0 | 0 | 0 | 112.6 | Y117 R118 K119 | D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.27Å; D115-R118 PolarHBondContact O-N 3.07Å; D115-R118 IonicContact OD1-CZ 2.72Å; D115-R118 IonicContact OD1-NE 3.63Å; D115-R118 PolarHBondContact OD1-NE 2.84Å; D115-R118 IonicContact OD1-NH2 2.59Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 2.74Å |
| 116 | K | 61 | Low | 63.7 | Low | 150 Ų | 150 | 112.3 Ų | 112.3 | 65% | 0.652 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.1 | -33.9 | 172.8 | -165.7 | 170.1 | -174.6 | 172.9 | 0 | 112.1 | E114 I120 | E114-K116 PolarHBondContact O-N 3.07Å; K116-I120 HydrophobicContact CG-CD1 4.36Å; K116-I120 VanDerWaalsContact O-CD1 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.24Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.03Å |
| 117 | Y | 65.9 | Low | 65 | Low | 179 Ų | 179 | 112.9 Ų | 112.9 | 70% | 0.702 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -81.4 | -35.3 | 174.1 | -72 | -74.8 | 0 | 0 | 0 | 112.6 | S113 E114 D115 K119 I120 N121 | S113-Y117 VanDerWaalsContact O-CD2 3.28Å; S113-Y117 WeakPolarHBondContact O-CD2 3.29Å; E114-Y117 PolarHBondContact O-N 2.95Å; D115-Y117 VanDerWaalsContact C-N 3.31Å; D115-Y117 PolarHBondContact O-N 3.27Å; Y117-K119 PolarHBondContact O-N 2.96Å; Y117-I120 PolarHBondContact O-N 3.42Å; Y117-N121 PolarHBondContact O-N 3.22Å |
| 118 | R | 71.9 | Confident | 66.4 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56 | -49.2 | 170.1 | -83.9 | -172.9 | -88.4 | -85.5 | -1.4 | 111.4 | E114 D115 I120 N121 E122 | E114-R118 PolarHBondContact O-N 2.84Å; E114-R118 VanDerWaalsContact O-N 3.08Å; E114-R118 IonicContact OE1-CZ 3.55Å; E114-R118 IonicContact OE1-NH1 2.69Å; E114-R118 PolarHBondContact OE1-NH1 3.49Å; E114-R118 IonicContact OE1-NH2 3.89Å; E114-R118 PolarHBondContact OE1-NH2 2.7Å; D115-R118 PolarHBondContact O-N 3.07Å; D115-R118 IonicContact OD1-CZ 2.72Å; D115-R118 IonicContact OD1-NE 3.63Å; D115-R118 PolarHBondContact OD1-NE 2.84Å; D115-R118 IonicContact OD1-NH2 2.59Å; D115-R118 PolarHBondContact OD1-NH2 2.91Å; R118-I120 VanDerWaalsContact C-N 3.27Å; R118-I120 PolarHBondContact O-N 2.94Å; R118-N121 PolarHBondContact O-N 3.17Å; R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 2.97Å |
| 119 | K | 75.1 | Confident | 68 | Low | 139 Ų | 139 | 109.2 Ų | 109.2 | 60% | 0.604 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -56.1 | -39.6 | 178.6 | -153.1 | 78.4 | 177.3 | -179 | 0 | 113.2 | D115 Y117 N121 D123 | D115-K119 WeakPolarHBondContact O-CB 3.39Å; D115-K119 PolarHBondContact O-N 2.74Å; Y117-K119 PolarHBondContact O-N 2.96Å; K119-N121 VanDerWaalsContact C-N 3.33Å; K119-D123 PolarHBondContact O-N 3.02Å; K119-D123 VanDerWaalsContact O-N 3.13Å |
| 120 | I | 76.7 | Confident | 69.5 | Low | 82 Ų | 82 | 108.9 Ų | 108.9 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -81.3 | -10.9 | -178.9 | -66 | 170.1 | 0 | 0 | 0 | 112.4 | K116 Y117 R118 D123 I124 | K116-I120 HydrophobicContact CG-CD1 4.36Å; K116-I120 VanDerWaalsContact O-CD1 3.29Å; K116-I120 WeakPolarHBondContact O-CD1 3.24Å; K116-I120 VanDerWaalsContact O-CG1 3.25Å; K116-I120 WeakPolarHBondContact O-CG1 3.28Å; K116-I120 PolarHBondContact O-N 3.03Å; Y117-I120 PolarHBondContact O-N 3.42Å; R118-I120 VanDerWaalsContact C-N 3.27Å; R118-I120 PolarHBondContact O-N 2.94Å; I120-D123 VanDerWaalsContact C-OD1 3.29Å; I120-D123 VanDerWaalsContact CA-OD1 3.29Å; I120-D123 WeakPolarHBondContact CA-OD1 3.46Å; I120-D123 VanDerWaalsContact O-OD1 3.06Å; I120-I124 HydrophobicContact CG2-CD1 4.45Å; I120-I124 VanDerWaalsContact O-CD1 3.24Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å |
| 121 | N | 79.1 | Confident | 70.4 | Confident | 96 Ų | 96 | 110.8 Ų | 110.8 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -88.3 | -42.5 | 166.5 | -162.5 | 105.1 | 0 | 0 | 0 | 110.7 | Y117 R118 K119 D123 I124 D125 | Y117-N121 PolarHBondContact O-N 3.22Å; R118-N121 PolarHBondContact O-N 3.17Å; K119-N121 VanDerWaalsContact C-N 3.33Å; N121-D123 PolarHBondContact O-N 3.11Å; N121-I124 PolarHBondContact O-N 3.35Å; N121-D125 PolarHBondContact ND2-OD2 3.23Å; N121-D125 PolarHBondContact O-N 3.13Å |
| 122 | E | 80.7 | Confident | 70.7 | Confident | 115 Ų | 115 | 117.4 Ų | 117.4 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.3 | -42 | 178.7 | -72.6 | 170.5 | -169.2 | 0 | 0 | 112.9 | R118 L126 | R118-E122 WeakPolarHBondContact O-CG 3.22Å; R118-E122 PolarHBondContact O-N 2.97Å; E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 2.68Å |
| 123 | D | 83 | Confident | 70.9 | Confident | 80 Ų | 80 | 116.3 Ų | 116.3 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.9 | -35.1 | 179.9 | 68 | 0.6 | 0 | 0 | 0 | 113.1 | K119 I120 N121 M127 | K119-D123 PolarHBondContact O-N 3.02Å; K119-D123 VanDerWaalsContact O-N 3.13Å; I120-D123 VanDerWaalsContact C-OD1 3.29Å; I120-D123 VanDerWaalsContact CA-OD1 3.29Å; I120-D123 WeakPolarHBondContact CA-OD1 3.46Å; I120-D123 VanDerWaalsContact O-OD1 3.06Å; N121-D123 PolarHBondContact O-N 3.11Å; D123-M127 VanDerWaalsContact O-CB 3.27Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 2.81Å |
| 124 | I | 82.7 | Confident | 70.1 | Confident | 85 Ų | 85 | 117 Ų | 117 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.6 | -49.6 | 171.5 | -69.3 | 178.6 | 0 | 0 | 0 | 110.9 | I120 N121 L126 M127 I128 | I120-I124 HydrophobicContact CG2-CD1 4.45Å; I120-I124 VanDerWaalsContact O-CD1 3.24Å; I120-I124 WeakPolarHBondContact O-CD1 3.25Å; I120-I124 VanDerWaalsContact O-CG1 3.29Å; I120-I124 WeakPolarHBondContact O-CG1 3.29Å; N121-I124 PolarHBondContact O-N 3.35Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 2.95Å; I124-M127 WeakPolarHBondContact O-CB 3.4Å; I124-M127 PolarHBondContact O-N 2.89Å; I124-M127 VanDerWaalsContact O-N 3.16Å; I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.86Å |
| 125 | D | 82.3 | Confident | 69.4 | Low | 91 Ų | 91 | 116.2 Ų | 116.2 | 49% | 0.487 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.6 | -39.4 | 177.9 | -85.5 | -38 | 0 | 0 | 0 | 111.8 | N121 M127 I128 S129 | N121-D125 PolarHBondContact ND2-OD2 3.23Å; N121-D125 PolarHBondContact O-N 3.13Å; D125-M127 VanDerWaalsContact C-N 3.31Å; D125-M127 PolarHBondContact O-N 3.3Å; D125-I128 PolarHBondContact O-N 2.98Å; D125-S129 WeakPolarHBondContact O-CB 3.34Å; D125-S129 PolarHBondContact O-N 3.26Å |
| 126 | L | 80.1 | Confident | 68.8 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.5 | -33.9 | 174.9 | -167 | 69.7 | 0 | 0 | 0 | 112 | E122 I124 R130 | E122-L126 WeakPolarHBondContact O-CB 3.44Å; E122-L126 PolarHBondContact O-N 2.68Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-L126 PolarHBondContact O-N 2.95Å; L126-R130 WeakPolarHBondContact O-CB 3.29Å; L126-R130 VanDerWaalsContact O-CG 3.31Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 2.88Å |
| 127 | M | 79.1 | Confident | 68.3 | Low | 103 Ų | 103 | 116.1 Ų | 116.1 | 51% | 0.507 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -69.9 | -45.3 | 175.1 | -164.3 | -169.9 | -45 | 0 | 0 | 111.8 | D123 I124 D125 S129 R130 Q131 | D123-M127 VanDerWaalsContact O-CB 3.27Å; D123-M127 WeakPolarHBondContact O-CB 3.27Å; D123-M127 PolarHBondContact O-N 2.81Å; I124-M127 WeakPolarHBondContact O-CB 3.4Å; I124-M127 PolarHBondContact O-N 2.89Å; I124-M127 VanDerWaalsContact O-N 3.16Å; D125-M127 VanDerWaalsContact C-N 3.31Å; D125-M127 PolarHBondContact O-N 3.3Å; M127-S129 VanDerWaalsContact C-N 3.35Å; M127-R130 PolarHBondContact O-N 2.75Å; M127-Q131 WeakPolarHBondContact O-CB 3.31Å; M127-Q131 WeakPolarHBondContact O-CG 3.21Å; M127-Q131 PolarHBondContact O-N 3.07Å |
| 128 | I | 79.4 | Confident | 67.9 | Low | 77 Ų | 77 | 112.7 Ų | 112.7 | 40% | 0.395 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.9 | -43.9 | 175.5 | -68.2 | 166.2 | 0 | 0 | 0 | 110.4 | I124 D125 Q131 R132 | I124-I128 HydrophobicContact CG2-CD1 3.77Å; I124-I128 HydrophobicContact CG2-CG1 4.48Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.86Å; D125-I128 PolarHBondContact O-N 2.98Å; I128-Q131 PolarHBondContact O-N 3.03Å; I128-R132 PolarHBondContact O-N 3.48Å; I128-R132 VanDerWaalsContact O-N 3.08Å |
| 129 | S | 74.2 | Confident | 67.1 | Low | 68 Ų | 68 | 112.9 Ų | 112.9 | 48% | 0.476 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.9 | -43.3 | 178.1 | -168.5 | 0 | 0 | 0 | 0 | 111.9 | D125 M127 R132 | D125-S129 WeakPolarHBondContact O-CB 3.34Å; D125-S129 PolarHBondContact O-N 3.26Å; M127-S129 VanDerWaalsContact C-N 3.35Å; S129-R132 PolarHBondContact O-N 3.08Å |
| 130 | R | 72 | Confident | 65.3 | Low | 183 Ų | 183 | 113.5 Ų | 113.5 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.5 | -41.5 | 172.5 | -80.9 | 174.8 | 166.1 | -103 | -0.9 | 112.9 | L126 M127 R132 L133 | L126-R130 WeakPolarHBondContact O-CB 3.29Å; L126-R130 VanDerWaalsContact O-CG 3.31Å; L126-R130 WeakPolarHBondContact O-CG 3.5Å; L126-R130 PolarHBondContact O-N 2.88Å; M127-R130 PolarHBondContact O-N 2.75Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.4Å; R130-L133 PolarHBondContact O-N 3.48Å; R130-L133 VanDerWaalsContact O-N 3.15Å |
| 131 | Q | 59.1 | Low | 63.9 | Low | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.631 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.8 | -32.4 | 177.9 | -74.7 | 176.6 | 16.7 | 0 | 0 | 112.5 | M127 I128 L133 | M127-Q131 WeakPolarHBondContact O-CB 3.31Å; M127-Q131 WeakPolarHBondContact O-CG 3.21Å; M127-Q131 PolarHBondContact O-N 3.07Å; I128-Q131 PolarHBondContact O-N 3.03Å; Q131-L133 PolarHBondContact O-N 3.29Å |
| 132 | R | 57.7 | Low | 62.1 | Low | 213 Ų | 213 | 123.1 Ų | 123.1 | 80% | 0.804 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -8.2 | 174.5 | -74.2 | -172.1 | 175.5 | -173.1 | 0.9 | 115 | I128 S129 R130 | I128-R132 PolarHBondContact O-N 3.48Å; I128-R132 VanDerWaalsContact O-N 3.08Å; S129-R132 PolarHBondContact O-N 3.08Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.4Å |
| 133 | L | 53 | Low | 60.8 | Low | 144 Ų | 144 | 126.2 Ų | 126.2 | 75% | 0.754 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.4 | -2.2 | -179.9 | -77.2 | 163.7 | 0 | 0 | 0 | 114.4 | R130 Q131 | R130-L133 PolarHBondContact O-N 3.48Å; R130-L133 VanDerWaalsContact O-N 3.15Å; Q131-L133 PolarHBondContact O-N 3.29Å |
| 134 | C | 40.6 | Very low | 59.2 | Low | 102 Ų | 102 | 127 Ų | 127 | 69% | 0.689 | 68% | 0.675 | S | S | * | * | | | trans | -101.5 | 68.3 | 172.3 | -75.1 | 0 | 0 | 0 | 0 | 112 | V136 | C134-V136 VanDerWaalsContact C-N 3.33Å; C134-V136 PolarHBondContact O-N 3.03Å |
| 135 | A | 40.9 | Very low | 57.7 | Low | 99 Ų | 99 | 128.9 Ų | 128.9 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | | | trans | -72.9 | 83.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 136 | V | 50.1 | Low | 56 | Low | 126 Ų | 126 | 129.8 Ų | 129.8 | 76% | 0.764 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 126.1 | 174 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | C134 | C134-V136 VanDerWaalsContact C-N 3.33Å; C134-V136 PolarHBondContact O-N 3.03Å |
| 137 | P | 50.3 | Low | 54.9 | Low | 104 Ų | 104 | 132.2 Ų | 132.2 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 144.1 | 178 | 29.1 | -34.6 | 0 | 0 | 0 | 111.2 | | |
| 138 | P | 58.8 | Low | 53.7 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 138.4 | 177.6 | 28.7 | -34.3 | 0 | 0 | 0 | 110.9 | N140 | P138-N140 PolarHBondContact O-N 3.47Š|
| 139 | P | 53.4 | Low | 52.1 | Low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | | | trans | -73.7 | 111.1 | 178.6 | 29 | -33.4 | 0 | 0 | 0 | 110.9 | F141 | P139-F141 HydrophobicContact CB-CD2 4.41Å; P139-F141 PolarHBondContact O-N 3.46Å |
| 140 | N | 38.4 | Very low | 51 | Low | 151 Ų | 151 | 138.4 Ų | 138.4 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | | | trans | -73.4 | 102.4 | 167 | -72.1 | -60.9 | 0 | 0 | 0 | 109.7 | P138 | P138-N140 PolarHBondContact O-N 3.47Š|
| 141 | F | 47.8 | Very low | 49.7 | Very low | 197 Ų | 197 | 133.8 Ų | 133.8 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | | | trans | -130.9 | 98.5 | 162.6 | -82 | -72.9 | 0 | 0 | 0 | 110.3 | P139 | P139-F141 HydrophobicContact CB-CD2 4.41Å; P139-F141 PolarHBondContact O-N 3.46Å |
| 142 | E | 40.3 | Very low | 49 | Very low | 184 Ų | 184 | 135 Ų | 135 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -73.9 | 131 | 171.2 | -175.5 | 178.6 | 173.2 | 0 | 0 | 109.7 | | |
| 143 | M | 54.5 | Low | 48.2 | Very low | 179 Ų | 179 | 132.1 Ų | 132.1 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | | | trans | -138 | 102.2 | -179.6 | -167 | 69.9 | 154.1 | 0 | 0 | 109.4 | | |
| 144 | P | 49.2 | Very low | 47.7 | Very low | 97 Ų | 97 | 129.5 Ų | 129.5 | 63% | 0.63 | 76% | 0.761 | S | S | * | * | | | trans | -91.6 | -176.4 | -172.2 | 35 | -35.2 | 0 | 0 | 0 | 113.9 | | |
| 145 | V | 50.9 | Low | 47.8 | Very low | 124 Ų | 124 | 132 Ų | 132 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | trans | 89.8 | 87.7 | 164.2 | -171.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 146 | S | 46.8 | Very low | 47.9 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | | 67.5 | 117 | 122.7 | -52.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 147 | I | 56.6 | Low | 47.5 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | | | trans | -128.7 | 131.9 | 144.3 | -59.4 | 178.9 | 0 | 0 | 0 | 107.1 | | |
| 148 | P | 53 | Low | 47.2 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 81% | 0.805 | 77% | 0.768 | S | S | * | * | | | trans | -78.6 | 147 | -176.9 | 31.6 | -35.1 | 0 | 0 | 0 | 112.8 | | |
| 149 | V | 46.3 | Very low | 46.6 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | trans | -120 | 127.2 | 170.8 | 170.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 150 | S | 51.5 | Low | 46.7 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | | | trans | -83.4 | 147.2 | 168.9 | 28.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 151 | S | 43.7 | Very low | 46.9 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 60% | 0.601 | 78% | 0.776 | S | S | * | * | | | trans | -58.7 | 167.3 | 179.4 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 152 | H | 45.8 | Very low | 46.7 | Very low | 161 Ų | 161 | 134.8 Ų | 134.8 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | cis | -154.8 | 162.6 | 38.5 | -65.3 | -100.6 | 0 | 0 | 0 | 114.8 | | |
| 153 | N | 39.9 | Very low | 46.8 | Very low | 152 Ų | 152 | 130.4 Ų | 130.4 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | | | trans | 66.6 | 147.9 | 156.3 | -75.5 | 10 | 0 | 0 | 0 | 120.1 | | |
| 154 | S | 43.9 | Very low | 46.5 | Very low | 88 Ų | 88 | 130.3 Ų | 130.3 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | | | cis | -170.8 | 145.2 | -21.4 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 155 | L | 42.5 | Very low | 46 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | | | trans | 73.2 | 98.5 | 157.8 | -63 | 171.6 | 0 | 0 | 0 | 120.6 | | |
| 156 | V | 42 | Very low | 45.5 | Very low | 111 Ų | 111 | 131 Ų | 131 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | | | trans | 30.9 | 131.2 | 133.3 | -71.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 157 | Y | 42.3 | Very low | 45.6 | Very low | 245 Ų | 245 | 130.6 Ų | 130.6 | 96% | 0.961 | 77% | 0.767 | S | S | * | * | | | | -132.3 | 144.3 | 123.2 | -125.8 | -91.9 | 0 | 0 | 0 | 109.4 | | |
| 158 | S | 44.7 | Very low | 44.9 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | | | trans | -114.1 | 134.6 | -165.8 | -54.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 159 | N | 45.6 | Very low | 44.6 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 77% | 0.768 | S | S | * | * | | | trans | -117.1 | 145.5 | 163.4 | -93.7 | -2 | 0 | 0 | 0 | 109.8 | | |
| 160 | P | 54.6 | Low | 44.9 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -116.5 | 135.6 | 141.2 | 25.5 | -10.6 | 0 | 0 | 0 | 110.5 | | |
| 161 | V | 42.2 | Very low | 44.6 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | | 68.7 | 127.7 | 81.4 | 125.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 162 | S | 44.5 | Very low | 44.7 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -174.1 | -176 | -7.5 | 48 | 0 | 0 | 0 | 0 | 111.4 | | |
| 163 | S | 42.5 | Very low | 44.6 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | 90.5 | 97.8 | 148.2 | -166.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 164 | L | 47.1 | Very low | 44.8 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 93% | 0.927 | 78% | 0.776 | S | S | * | * | | | | 45.8 | 129.6 | 124.4 | -65.1 | 141.1 | 0 | 0 | 0 | 120.6 | | |
| 165 | G | 40.1 | Very low | 45 | Very low | 78 Ų | 78 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | 136.9 | 86.2 | 148.7 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 166 | N | 40.1 | Very low | 44.9 | Very low | 157 Ų | 157 | 132.1 Ų | 132.1 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | | | trans | -155.1 | 155.2 | 160.5 | -131.1 | 2.4 | 0 | 0 | 0 | 106.7 | | |
| 167 | P | 48.8 | Very low | 45.2 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | cis | -127 | 159.6 | 25 | 40.9 | -27.1 | 0 | 0 | 0 | 116.2 | | |
| 168 | N | 41.2 | Very low | 45.3 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | | 173.4 | 170 | 119.2 | -92.8 | -35.6 | 0 | 0 | 0 | 113.5 | | |
| 169 | L | 46.6 | Very low | 45.1 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | 87.7 | 140.6 | 166.3 | -52.3 | -177.4 | 0 | 0 | 0 | 118.7 | | |
| 170 | L | 53.2 | Low | 44.8 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | | | trans | -103.7 | -173.1 | 179.1 | -62.4 | 165.9 | 0 | 0 | 0 | 108.3 | | |
| 171 | P | 46.2 | Very low | 44.1 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | | -132.6 | -165 | -58.5 | 37.7 | -21.1 | 0 | 0 | 0 | 111.9 | | |
| 172 | L | 43.8 | Very low | 44.6 | Very low | 151 Ų | 151 | 138 Ų | 138 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | 73.3 | 105.1 | 143.2 | -168.2 | 75.5 | 0 | 0 | 0 | 120 | | |
| 173 | A | 45 | Very low | 44.6 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -155.7 | 123.3 | 145.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 174 | H | 43.9 | Very low | 44.8 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | | | trans | -97.9 | -178.4 | 158.6 | -73.7 | -104.9 | 0 | 0 | 0 | 107.4 | | |
| 175 | P | 47.2 | Very low | 44.6 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | cis | -153 | -176.1 | 18.7 | 45.4 | -24 | 0 | 0 | 0 | 119.8 | | |
| 176 | S | 42.1 | Very low | 45.1 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | 93.9 | 145.1 | 133.7 | 79.6 | 0 | 0 | 0 | 0 | 123.3 | | |
| 177 | L | 46.3 | Very low | 45.7 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | 60.1 | 115.5 | 164.1 | -48.1 | -173.5 | 0 | 0 | 0 | 118.1 | | |
| 178 | Q | 44.5 | Very low | 45.4 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | | 73.9 | 104.3 | 58.5 | -74 | -160.4 | -18.4 | 0 | 0 | 116.6 | | |
| 179 | R | 40.7 | Very low | 45.6 | Very low | 245 Ų | 245 | 145.5 Ų | 145.5 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | | -163.6 | 170.7 | 117.3 | -115.2 | -177.9 | -179.1 | -156.2 | -1.4 | 114 | | |
| 180 | N | 39.6 | Very low | 46.2 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | | | trans | -91.2 | 170.1 | -156 | -64.7 | 17.5 | 0 | 0 | 0 | 116.2 | | |
| 181 | S | 40.6 | Very low | 46 | Very low | 98 Ų | 98 | 140.5 Ų | 140.5 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | | | trans | 75.2 | 117.9 | 141.4 | 61.2 | 0 | 0 | 0 | 0 | 120 | | |
| 182 | M | 52.1 | Low | 46.4 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | | -154.4 | 167 | 120.6 | -83.6 | -51.9 | 115.7 | 0 | 0 | 108.6 | | |
| 183 | S | 44.6 | Very low | 46.8 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -99.2 | 166.6 | -167.8 | -67.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 184 | P | 46 | Very low | 46.9 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -92.9 | 160.5 | -161.5 | 36.6 | -36.6 | 0 | 0 | 0 | 115.5 | | |
| 185 | G | 44.9 | Very low | 46.7 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -162.8 | 126.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 186 | V | 49.3 | Very low | 46.5 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -40.8 | 152.4 | 175.6 | -70.1 | 0 | 0 | 0 | 0 | 118.5 | | |
| 187 | T | 52.4 | Low | 46.5 | Very low | 149 Ų | 149 | 137.6 Ų | 137.6 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | | | trans | -121.2 | 123.3 | 151.1 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 188 | H | 44.1 | Very low | 46.3 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 153.7 | -174 | -103.3 | -102 | 0 | 0 | 0 | 113.1 | | |
| 189 | R | 45 | Very low | 46.4 | Very low | 234 Ų | 234 | 133.6 Ų | 133.6 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 131.6 | 158.3 | -171.8 | 179 | 178.2 | -149.4 | -1.5 | 109 | | |
| 190 | P | 58.8 | Low | 46.8 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 153 | -168.9 | 35 | -36.3 | 0 | 0 | 0 | 114.8 | | |
| 191 | P | 49.5 | Very low | 46.9 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 162.8 | 157.1 | 38.1 | -31.7 | 0 | 0 | 0 | 111.9 | | |
| 192 | S | 54.2 | Low | 47.1 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | -147.5 | 131.3 | 176.4 | -67.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 193 | A | 53 | Low | 46.5 | Very low | 112 Ų | 112 | 126.1 Ų | 126.1 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | | | trans | 52.5 | 141.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 194 | G | 45.1 | Very low | 46.5 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | | | cis | -168.1 | 164.2 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 195 | N | 40 | Very low | 46.3 | Very low | 154 Ų | 154 | 126.5 Ų | 126.5 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | -139.5 | 115.1 | -167.8 | 172.9 | 82.2 | 0 | 0 | 0 | 112.7 | | |
| 196 | T | 44.6 | Very low | 46.1 | Very low | 139 Ų | 139 | 129 Ų | 129 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | | | trans | -153.3 | 105.9 | 176 | 49.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 197 | G | 41.4 | Very low | 45.6 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | | | trans | 69.9 | 157.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 198 | G | 42.3 | Very low | 44.9 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | | | cis | 164.9 | 109.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 199 | L | 46.3 | Very low | 44.7 | Very low | 166 Ų | 166 | 121 Ų | 121 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | | | trans | 66.1 | 156.8 | 158 | -54.6 | 175.8 | 0 | 0 | 0 | 119.2 | | |
| 200 | M | 48.3 | Very low | 44.5 | Very low | 187 Ų | 187 | 116.4 Ų | 116.4 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | | | trans | 65.8 | 139.1 | 178.3 | -41 | -50.9 | -131.9 | 0 | 0 | 115.6 | | |
| 201 | G | 41.9 | Very low | 43.7 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | cis | 123.7 | 119.9 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 202 | G | 44.5 | Very low | 43.5 | Very low | 77 Ų | 77 | 116 Ų | 116 | 79% | 0.794 | 83% | 0.833 | S | S | * | * | | | trans | 137.1 | 85.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 203 | D | 39.7 | Very low | 43 | Very low | 156 Ų | 156 | 114.2 Ų | 114.2 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | | | trans | -21 | 170.2 | 146.8 | -76.2 | -72.4 | 0 | 0 | 0 | 122.1 | | |
| 204 | L | 45.4 | Very low | 42.5 | Very low | 147 Ų | 147 | 115.8 Ų | 115.8 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | | | trans | 87.7 | 106.6 | 153.4 | -72.3 | 163.9 | 0 | 0 | 0 | 122.1 | | |
| 205 | T | 41.1 | Very low | 42.4 | Very low | 113 Ų | 113 | 115.2 Ų | 115.2 | 69% | 0.693 | 82% | 0.819 | S | S | * | * | | | | 60.1 | 131.7 | 127.9 | 59.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 206 | S | 40.3 | Very low | 42.8 | Very low | 127 Ų | 127 | 118 Ų | 118 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | 61.7 | 122.7 | 132.7 | -59.5 | 0 | 0 | 0 | 0 | 121.4 | | |
| 207 | G | 39.9 | Very low | 42.8 | Very low | 82 Ų | 82 | 114.7 Ų | 114.7 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | | | trans | 164.5 | 128.5 | 159.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 208 | A | 37.6 | Very low | 43.1 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 94% | 0.942 | 82% | 0.815 | S | S | * | * | | | trans | -99.2 | 141.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 209 | G | 40.6 | Very low | 43.7 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | | | trans | -160.5 | 154.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 210 | T | 40.4 | Very low | 43.6 | Very low | 138 Ų | 138 | 123.2 Ų | 123.2 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -121.6 | 163.5 | -165.1 | 50.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 211 | S | 42.6 | Very low | 43.4 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | 103.9 | 143.5 | 144 | 81.3 | 0 | 0 | 0 | 0 | 121 | | |
| 212 | A | 44.5 | Very low | 43.6 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 88% | 0.884 | 80% | 0.8 | S | S | * | * | | | trans | 67.3 | 127.7 | 151.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 213 | G | 44.7 | Very low | 44 | Very low | 77 Ų | 77 | 124.6 Ų | 124.6 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 170.1 | 100.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 214 | N | 42.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 120.4 Ų | 120.4 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -70.3 | 164.2 | 171.6 | -59.7 | -9.8 | 0 | 0 | 0 | 110.6 | Y216 | N214-Y216 HydrophobicContact CB-CE2 4.09Å; N214-Y216 PolarHBondContact ND2-OH 3.25Å |
| 215 | G | 42.2 | Very low | 44.2 | Very low | 66 Ų | 66 | 121.1 Ų | 121.1 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | | | cis | -175.4 | -157.2 | 0.9 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 216 | Y | 48.6 | Very low | 44.4 | Very low | 212 Ų | 212 | 123.1 Ų | 123.1 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | cis | -156.7 | 165.7 | -5.7 | -66.3 | -96.8 | 0 | 0 | 0 | 105.8 | N214 | N214-Y216 HydrophobicContact CB-CE2 4.09Å; N214-Y216 PolarHBondContact ND2-OH 3.25Å |
| 217 | G | 45 | Very low | 44.8 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | cis | 155.4 | 151.6 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 218 | N | 46 | Very low | 45.1 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | | | trans | 80.5 | 155.6 | 159.2 | -94 | 9.6 | 0 | 0 | 0 | 121.9 | | |
| 219 | P | 56.6 | Low | 45.8 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | | | | -147.1 | -137.2 | -127.4 | 44.6 | -20.2 | 0 | 0 | 0 | 114.5 | | |
| 220 | R | 44 | Very low | 46.2 | Very low | 230 Ų | 230 | 125.5 Ų | 125.5 | 87% | 0.868 | 79% | 0.793 | S | S | * | * | | | trans | 100.1 | 142.7 | -178.9 | -60.6 | 165.6 | 127.1 | 160 | -2.2 | 112.3 | | |
| 221 | N | 44.3 | Very low | 46.4 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | | | cis | -139.5 | 163.2 | 9.6 | -153.2 | 76.8 | 0 | 0 | 0 | 112.6 | | |
| 222 | S | 45.1 | Very low | 47.2 | Very low | 103 Ų | 103 | 128.5 Ų | 128.5 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | -118.7 | -156.4 | -179 | -46.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 223 | P | 53.4 | Low | 47.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | cis | -141.5 | 179.8 | -11.6 | 40.8 | -21.9 | 0 | 0 | 0 | 117 | | |
| 224 | G | 45.6 | Very low | 47.5 | Very low | 68 Ų | 68 | 136.6 Ų | 136.6 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | 103.7 | 150 | 151.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 225 | L | 44.4 | Very low | 47.5 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | cis | -147.5 | 151.5 | -6 | -80.5 | 173.8 | 0 | 0 | 0 | 112.2 | | |
| 226 | L | 44.3 | Very low | 48.1 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | trans | -12.4 | 150.8 | 154 | -50.2 | 166.4 | 0 | 0 | 0 | 117.6 | | |
| 227 | V | 48.1 | Very low | 48.1 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | | | | -164 | 131.2 | 60.4 | 160.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 228 | S | 47.5 | Very low | 48.2 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | | | trans | 50.7 | 157 | 143.2 | -55.3 | 0 | 0 | 0 | 0 | 125.7 | | |
| 229 | P | 51.8 | Low | 48.3 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -118.5 | 172.7 | -164.2 | 43.1 | -30.7 | 0 | 0 | 0 | 116.3 | | |
| 230 | G | 49.5 | Very low | 47.9 | Very low | 81 Ų | 81 | 141.2 Ų | 141.2 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | | | trans | -136.4 | 138.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 231 | N | 44.2 | Very low | 48.9 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -133.5 | 119 | -163 | 176.2 | 83.3 | 0 | 0 | 0 | 113 | | |
| 232 | L | 59.7 | Low | 49.9 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | -137.9 | 117.6 | 167.9 | -79.4 | 179.3 | 0 | 0 | 0 | 112.3 | | |
| 233 | N | 45.2 | Very low | 50.6 | Low | 144 Ų | 144 | 135.3 Ų | 135.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -67 | 132.6 | 172.8 | -101.7 | -31.2 | 0 | 0 | 0 | 112.1 | | |
| 234 | K | 50.7 | Low | 50.6 | Low | 211 Ų | 211 | 137.5 Ų | 137.5 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -140.1 | 128.7 | 135.1 | -74.1 | -160 | 176.1 | 178.3 | 0 | 110.4 | | |
| 235 | N | 41 | Very low | 50.4 | Low | 138 Ų | 138 | 141.5 Ų | 141.5 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | | | trans | -88.6 | 127.8 | -172.9 | 174.1 | 33.8 | 0 | 0 | 0 | 111.7 | | |
| 236 | M | 55.1 | Low | 50.7 | Low | 183 Ų | 183 | 139.6 Ų | 139.6 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | trans | -152.4 | 103.4 | 160.6 | -101.1 | -62.5 | 179.7 | 0 | 0 | 109.5 | A238 | M236-A238 PolarHBondContact O-N 2.88Š|
| 237 | Q | 48.1 | Very low | 50.5 | Low | 147 Ų | 147 | 135.2 Ų | 135.2 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | trans | -79.7 | 100.5 | 175.2 | -76.3 | -168.8 | -24.5 | 0 | 0 | 111.2 | K239 | Q237-K239 VanDerWaalsContact C-N 3.29Å; Q237-K239 PolarHBondContact O-N 3.11Å |
| 238 | A | 47.3 | Very low | 50.9 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | | | trans | -73 | 83.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M236 | M236-A238 PolarHBondContact O-N 2.88Š|
| 239 | K | 48.6 | Very low | 50.8 | Low | 177 Ų | 177 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 131.4 | 170.5 | -80.2 | -175.8 | 175.7 | 178.1 | 0 | 110 | Q237 | Q237-K239 VanDerWaalsContact C-N 3.29Å; Q237-K239 PolarHBondContact O-N 3.11Å |
| 240 | S | 47.6 | Very low | 50.6 | Low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.3 | 170.6 | 43.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 241 | P | 65.1 | Low | 50.7 | Low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 138 | 171.5 | 29 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 242 | P | 66.1 | Low | 50.5 | Low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 158.2 | 175.6 | 32.4 | -35.5 | 0 | 0 | 0 | 111.6 | M244 | P242-M244 PolarHBondContact O-N 2.87Š|
| 243 | P | 59 | Low | 50.4 | Low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.6 | 171.6 | 28.4 | -34 | 0 | 0 | 0 | 110.7 | N245 | P243-N245 PolarHBondContact O-N 3.4Š|
| 244 | M | 53 | Low | 50.1 | Low | 173 Ų | 173 | 145.1 Ų | 145.1 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -74.9 | 93.3 | 176.6 | -65.8 | -165.2 | -58.6 | 0 | 0 | 111.1 | P242 L246 | P242-M244 PolarHBondContact O-N 2.87Å; M244-L246 HydrophobicContact CB-CD1 4.01Å; M244-L246 PolarHBondContact O-N 3.44Å |
| 245 | N | 43 | Very low | 49.7 | Very low | 152 Ų | 152 | 142.7 Ų | 142.7 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | | | trans | -86 | 83.9 | 168.9 | -174.1 | 11.8 | 0 | 0 | 0 | 110.4 | P243 G247 | P243-N245 PolarHBondContact O-N 3.4Å; N245-G247 PolarHBondContact O-N 2.9Å; N245-G247 VanDerWaalsContact O-N 3.17Å |
| 246 | L | 50.3 | Low | 50 | Low | 122 Ų | 122 | 145.4 Ų | 145.4 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | | | trans | -79.2 | 92.9 | 170.8 | -91.5 | 75.1 | 0 | 0 | 0 | 110.1 | M244 M248 | M244-L246 HydrophobicContact CB-CD1 4.01Å; M244-L246 PolarHBondContact O-N 3.44Å; L246-M248 HydrophobicContact CB-SD 4.26Å; L246-M248 HydrophobicContact CD2-SD 4.2Å; L246-M248 PolarHBondContact O-N 2.99Å |
| 247 | G | 39.8 | Very low | 49.7 | Very low | 63 Ų | 63 | 142.4 Ų | 142.4 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -72.2 | 86 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | N245 N249 | N245-G247 PolarHBondContact O-N 2.9Å; N245-G247 VanDerWaalsContact O-N 3.17Å; G247-N249 PolarHBondContact O-N 3.48Å |
| 248 | M | 56.4 | Low | 49.8 | Very low | 160 Ų | 160 | 143.3 Ų | 143.3 | 79% | 0.788 | 78% | 0.776 | S | S | * | * | | | trans | -82.9 | 108.4 | 163.2 | -95.2 | 91 | 92 | 0 | 0 | 110.6 | L246 N250 | L246-M248 HydrophobicContact CB-SD 4.26Å; L246-M248 HydrophobicContact CD2-SD 4.2Å; L246-M248 PolarHBondContact O-N 2.99Å; M248-N250 PolarHBondContact O-N 2.98Å |
| 249 | N | 46.2 | Very low | 50.2 | Low | 157 Ų | 157 | 144.8 Ų | 144.8 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | | | trans | -66.9 | 109.4 | 164 | -63.6 | -71.9 | 0 | 0 | 0 | 109.4 | G247 | G247-N249 PolarHBondContact O-N 3.48Š|
| 250 | N | 47.6 | Very low | 50.8 | Low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -153.6 | 143.8 | 140.5 | -118.5 | -23.9 | 0 | 0 | 0 | 115.5 | M248 | M248-N250 PolarHBondContact O-N 2.98Š|
| 251 | R | 50.8 | Low | 51.6 | Low | 232 Ų | 232 | 142.5 Ų | 142.5 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | | | trans | -64.1 | 145.8 | -166.8 | -65.3 | 156.1 | 175.1 | 162.7 | -1.9 | 112.9 | | |
| 252 | K | 40.9 | Very low | 50.4 | Low | 191 Ų | 191 | 140.3 Ų | 140.3 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -39 | 136.1 | 174 | -57.7 | 171.2 | 176.1 | -179.4 | 0 | 114 | | |
| 253 | P | 57.1 | Low | 49.6 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -77 | 114.7 | 139.4 | 31.2 | -27.4 | 0 | 0 | 0 | 108.9 | L255 | P253-L255 PolarHBondContact O-N 2.96Š|
| 254 | D | 38.9 | Very low | 48.9 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | | | trans | -84.5 | 85.2 | 176.1 | -177.1 | 21.8 | 0 | 0 | 0 | 109.6 | R256 | D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 IonicContact OD1-NE 3.99Å; D254-R256 IonicContact OD2-CZ 3.19Å; D254-R256 IonicContact OD2-NE 2.77Å; D254-R256 PolarHBondContact OD2-NE 3.44Å; D254-R256 IonicContact OD2-NH2 2.74Å; D254-R256 PolarHBondContact OD2-NH2 3.26Å |
| 255 | L | 42.5 | Very low | 48.2 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | | | trans | -76.4 | 78.2 | -176.2 | -168.8 | 71.8 | 0 | 0 | 0 | 111.4 | P253 V257 | P253-L255 PolarHBondContact O-N 2.96Å; L255-V257 PolarHBondContact O-N 3.16Å |
| 256 | R | 47.2 | Very low | 48.1 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -71.9 | 114.4 | 172.6 | -59.9 | -174.7 | -165.7 | 169.3 | 10.1 | 110 | D254 L258 | D254-R256 VanDerWaalsContact C-N 3.29Å; D254-R256 PolarHBondContact O-N 2.9Å; D254-R256 IonicContact OD1-NE 3.99Å; D254-R256 IonicContact OD2-CZ 3.19Å; D254-R256 IonicContact OD2-NE 2.77Å; D254-R256 PolarHBondContact OD2-NE 3.44Å; D254-R256 IonicContact OD2-NH2 2.74Å; D254-R256 PolarHBondContact OD2-NH2 3.26Å; R256-L258 PolarHBondContact O-N 3.45Å |
| 257 | V | 49 | Very low | 47.6 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | -68 | 110.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | L255 I259 | L255-V257 PolarHBondContact O-N 3.16Å; V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG1-CG1 3.82Å; V257-I259 PolarHBondContact O-N 3.34Å; V257-I259 VanDerWaalsContact O-N 3.14Å |
| 258 | L | 49.4 | Very low | 47.7 | Very low | 166 Ų | 166 | 147.4 Ų | 147.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -82.3 | 89 | 177.2 | -158.2 | 82.7 | 0 | 0 | 0 | 109.6 | R256 P260 | R256-L258 PolarHBondContact O-N 3.45Å; L258-P260 WeakPolarHBondContact O-CD 3.33Å |
| 259 | I | 56.7 | Low | 46.6 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 120.8 | 175.2 | -54.8 | 179.4 | 0 | 0 | 0 | 108.7 | V257 | V257-I259 HydrophobicContact CG1-CD1 4.48Å; V257-I259 HydrophobicContact CG1-CG1 3.82Å; V257-I259 PolarHBondContact O-N 3.34Å; V257-I259 VanDerWaalsContact O-N 3.14Å |
| 260 | P | 61.3 | Low | 46.4 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 142.4 | 172 | -20.7 | 33.8 | 0 | 0 | 0 | 111.1 | L258 G262 | L258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-G262 PolarHBondContact O-N 3.4Å |
| 261 | P | 63.5 | Low | 46 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 131.1 | -178.8 | 27.4 | -34.4 | 0 | 0 | 0 | 111.1 | S263 | P261-S263 PolarHBondContact O-N 3.08Š|
| 262 | G | 40 | Very low | 46 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P260 K264 | P260-G262 PolarHBondContact O-N 3.4Å; G262-K264 PolarHBondContact O-N 3.32Å |
| 263 | S | 48.3 | Very low | 46.3 | Very low | 121 Ų | 121 | 135 Ų | 135 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 123.2 | 160.6 | 39.5 | 0 | 0 | 0 | 0 | 109.3 | P261 | P261-S263 PolarHBondContact O-N 3.08Š|
| 264 | K | 44.2 | Very low | 45.9 | Very low | 195 Ų | 195 | 135.9 Ų | 135.9 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 133.8 | 179.5 | -55.4 | 163.8 | -172.5 | 171.6 | 0 | 109.3 | G262 | G262-K264 PolarHBondContact O-N 3.32Š|
| 265 | N | 40.2 | Very low | 46.2 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | | | trans | -156.5 | 149.6 | 144.8 | -109.4 | -6.5 | 0 | 0 | 0 | 111 | | |
| 266 | T | 40.8 | Very low | 46.3 | Very low | 131 Ų | 131 | 138 Ų | 138 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -86.7 | 129.5 | -167.9 | -51.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 267 | M | 38.2 | Very low | 46.2 | Very low | 171 Ų | 171 | 137 Ų | 137 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | | | trans | -134.4 | 144 | 156.9 | -79.6 | -62.4 | -75.5 | 0 | 0 | 109.5 | | |
| 268 | P | 43.1 | Very low | 46 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | | | trans | -79 | 159.6 | -173.3 | 32.4 | -35.9 | 0 | 0 | 0 | 113.2 | V270 | P268-V270 PolarHBondContact O-N 3.31Š|
| 269 | S | 33.7 | Very low | 45.4 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | trans | -68.5 | 124.1 | 171.5 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 270 | V | 41.5 | Very low | 44.4 | Very low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | -107.5 | 128.4 | 153.8 | -71.4 | 0 | 0 | 0 | 0 | 108.5 | P268 | P268-V270 PolarHBondContact O-N 3.31Š|
| 271 | S | 39.5 | Very low | 43.2 | Very low | 107 Ų | 107 | 147.4 Ų | 147.4 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | | | trans | -132.4 | 94.3 | 172.7 | -67.8 | 0 | 0 | 0 | 0 | 105.4 | | |
| 272 | E | 49.8 | Very low | 42.3 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | | | trans | -126.6 | 140.3 | -174.3 | -65.7 | -168.9 | 136.8 | 0 | 0 | 110.9 | | |
| 273 | D | 46.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | | | trans | -55.1 | 128.9 | -163.2 | -57.3 | -101.6 | 0 | 0 | 0 | 115.7 | | |
| 274 | V | 50 | Low | 41.9 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -116.4 | 32.9 | 171.4 | -154.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 275 | D | 44.2 | Very low | 41.5 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -136.8 | 15.1 | -172.4 | -115 | -38.1 | 0 | 0 | 0 | 114.8 | | |
| 276 | L | 44.5 | Very low | 41.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | trans | -132.8 | 65.1 | -176.7 | -73.2 | 178.6 | 0 | 0 | 0 | 115 | | |
| 277 | L | 45.9 | Very low | 41.6 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -142.4 | -1.1 | 163.1 | -144 | 76.9 | 0 | 0 | 0 | 116.8 | | |
| 278 | L | 45.3 | Very low | 41.7 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -89.3 | -14.7 | -174.4 | -156.1 | 67.1 | 0 | 0 | 0 | 114.8 | | |
| 279 | N | 35.2 | Very low | 41.8 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 84% | 0.84 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -130 | 46.1 | -163.7 | -99.7 | -1.3 | 0 | 0 | 0 | 115.2 | | |
| 280 | Q | 35.7 | Very low | 42 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | | | trans | -157.1 | 75.1 | 163.5 | -132.3 | -179.6 | 106.1 | 0 | 0 | 117.9 | | |
| 281 | R | 36.2 | Very low | 41.9 | Very low | 240 Ų | 240 | 153 Ų | 153 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | | | trans | -179.1 | 104.2 | 132.3 | -105.6 | 166.1 | -79.3 | -165 | -3.5 | 112.5 | | |
| 282 | I | 45.4 | Very low | 42 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | | | trans | -134.7 | 93 | 160 | -57 | 177.2 | 0 | 0 | 0 | 107.4 | | |
| 283 | N | 41.5 | Very low | 41.6 | Very low | 141 Ų | 141 | 150.4 Ų | 150.4 | 75% | 0.754 | 83% | 0.826 | S | S | * | * | | | trans | -164.9 | 156.7 | 147.9 | -146 | -1.2 | 0 | 0 | 0 | 113.2 | | |
| 284 | N | 37.7 | Very low | 41.9 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 69% | 0.69 | 83% | 0.83 | S | S | * | * | | | trans | 55.5 | 87.3 | 163.5 | -71 | -7.4 | 0 | 0 | 0 | 120 | | |
| 285 | S | 36 | Very low | 41.7 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 83% | 0.825 | S | S | * | * | | | | 39.3 | 120.3 | 108.1 | -46.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 286 | Q | 42.3 | Very low | 41.7 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 87% | 0.869 | 82% | 0.823 | S | S | * | * | | | | -173.8 | 157.1 | 102.6 | -102 | 173.4 | 75.4 | 0 | 0 | 114.3 | | |
| 287 | S | 41.9 | Very low | 41.9 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | 44.3 | 121.8 | 158.3 | 57 | 0 | 0 | 0 | 0 | 121 | | |
| 288 | A | 40.2 | Very low | 42 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -70.2 | 155.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 289 | Q | 43.7 | Very low | 42.4 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | | | trans | -153 | 167.2 | 134.7 | -110.9 | 171.4 | 39.5 | 0 | 0 | 110.7 | | |
| 290 | S | 38.1 | Very low | 42.6 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -88.4 | 166 | -152.3 | -60.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 291 | L | 39.2 | Very low | 43.1 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | trans | -54.3 | 141.1 | 176.7 | -62.1 | 162.5 | 0 | 0 | 0 | 113.7 | | |
| 292 | A | 42.1 | Very low | 43.5 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | -141.1 | 111.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 293 | T | 40.9 | Very low | 43.7 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 124.1 | 177.6 | 48.1 | 0 | 0 | 0 | 0 | 110.6 | V295 | T293-V295 PolarHBondContact O-N 2.92Š|
| 294 | P | 53 | Low | 43.8 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73 | 121.1 | 173.1 | 29.4 | -32.3 | 0 | 0 | 0 | 110.5 | | |
| 295 | V | 45.7 | Very low | 44.3 | Very low | 127 Ų | 127 | 127.4 Ų | 127.4 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 138.3 | 169.5 | 172.8 | 0 | 0 | 0 | 0 | 109.2 | T293 | T293-V295 PolarHBondContact O-N 2.92Š|
| 296 | V | 44.4 | Very low | 44.7 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 82% | 0.822 | S | S | * | * | | | trans | -109.4 | 113.3 | 171.2 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 297 | S | 49.6 | Very low | 44.7 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | -84.3 | 125.3 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 111 | | |
| 298 | V | 48.7 | Very low | 44.9 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 85% | 0.848 | 83% | 0.828 | S | S | * | * | | | trans | -85.4 | 131 | 164.4 | -74.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 299 | A | 52.3 | Low | 44.9 | Very low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | | | trans | -134.5 | 105 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 300 | T | 40.4 | Very low | 44.7 | Very low | 131 Ų | 131 | 123.8 Ų | 123.8 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -89.6 | 141.2 | 173 | -27.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 301 | P | 46.4 | Very low | 45.2 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -130.6 | 158.4 | 142.3 | 35.8 | -25.4 | 0 | 0 | 0 | 112.8 | | |
| 302 | T | 43.5 | Very low | 45.4 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | | | trans | -114.4 | 141.7 | -174.4 | 47.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 303 | L | 50.5 | Low | 45.4 | Very low | 162 Ų | 162 | 128 Ų | 128 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | | 173.6 | 151.9 | 127.3 | -113.4 | 67.1 | 0 | 0 | 0 | 110.6 | | |
| 304 | P | 43 | Very low | 45.7 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | | | trans | -95.1 | 150.7 | 176.7 | 36.3 | -31.9 | 0 | 0 | 0 | 113 | | |
| 305 | G | 48 | Very low | 45.3 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -147.7 | 143.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 306 | Q | 44.5 | Very low | 45 | Very low | 210 Ų | 210 | 127.9 Ų | 127.9 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | | | trans | -86.8 | 139.7 | -176.2 | -65.6 | 175.1 | -37 | 0 | 0 | 111.8 | | |
| 307 | G | 43.4 | Very low | 44.8 | Very low | 79 Ų | 79 | 128.1 Ų | 128.1 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | | | trans | -170.3 | 141.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 308 | M | 45.1 | Very low | 44.1 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 97% | 0.97 | 82% | 0.817 | S | S | * | * | | | trans | -105.2 | 138.2 | -174.5 | -113.6 | -66.1 | 149.8 | 0 | 0 | 112.6 | | |
| 309 | G | 41 | Very low | 43.8 | Very low | 73 Ų | 73 | 133.1 Ų | 133.1 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | trans | 111.1 | 123.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 310 | G | 39.1 | Very low | 43.1 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 82% | 0.817 | S | S | * | * | | | trans | 104.6 | 118.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 311 | Y | 47.5 | Very low | 43 | Very low | 230 Ų | 230 | 132.1 Ų | 132.1 | 90% | 0.902 | 82% | 0.818 | S | S | * | * | | | trans | 66.7 | 119.9 | 153.4 | -50.4 | -74 | 0 | 0 | 0 | 119.9 | | |
| 312 | P | 44.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | | | trans | -92.1 | 134.5 | 162.3 | 34.8 | -29 | 0 | 0 | 0 | 111.6 | | |
| 313 | S | 41.4 | Very low | 42.6 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | | | trans | -125.2 | 111 | 167.6 | -71.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 314 | A | 48.6 | Very low | 42.2 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 82% | 0.822 | S | S | * | * | | | trans | -82.2 | 131.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 315 | I | 44.7 | Very low | 42.4 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -99.9 | 104 | 170.7 | 42.5 | 170.1 | 0 | 0 | 0 | 109.9 | | |
| 316 | S | 38.1 | Very low | 42 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | | | trans | -93 | 110.9 | 173.9 | -63.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 317 | T | 40.7 | Very low | 42 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 83% | 0.828 | 81% | 0.81 | S | S | * | * | | | trans | -84.9 | 120.6 | 167.3 | -58.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 318 | T | 36.2 | Very low | 42.4 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 71% | 0.712 | 80% | 0.796 | S | S | * | * | | | trans | -141.4 | 124.6 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 319 | Y | 40.4 | Very low | 42.4 | Very low | 234 Ų | 234 | 130.6 Ų | 130.6 | 92% | 0.918 | 78% | 0.781 | S | S | * | * | | | trans | -140.1 | 133.9 | 167 | -90.9 | -88.8 | 0 | 0 | 0 | 107.1 | | |
| 320 | G | 38 | Very low | 42.8 | Very low | 70 Ų | 70 | 135.1 Ų | 135.1 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | 120 | 79 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 321 | T | 38.6 | Very low | 43.2 | Very low | 135 Ų | 135 | 137.4 Ų | 137.4 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | | | trans | -51.8 | 152 | 159.3 | 36.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 322 | E | 40 | Very low | 43.3 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | | -165 | 57 | 64.2 | 57.9 | -165.4 | 127.5 | 0 | 0 | 116.2 | | |
| 323 | Y | 41.4 | Very low | 43.3 | Very low | 219 Ų | 219 | 131.7 Ų | 131.7 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -126.7 | 89.1 | 174.8 | -55.2 | -75.5 | 0 | 0 | 0 | 113.4 | L325 | Y323-L325 PolarHBondContact O-N 3.38Å; Y323-L325 VanDerWaalsContact O-N 3.12Å |
| 324 | S | 42.3 | Very low | 43.3 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | | | trans | -80.8 | 83.5 | 178.8 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 325 | L | 46.4 | Very low | 42.8 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | | | trans | -81.4 | 119.7 | 162.8 | -69.9 | 179.4 | 0 | 0 | 0 | 109.9 | Y323 S327 | Y323-L325 PolarHBondContact O-N 3.38Å; Y323-L325 VanDerWaalsContact O-N 3.12Å; L325-S327 PolarHBondContact O-N 2.9Å |
| 326 | S | 41.5 | Very low | 42.4 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | trans | -71.1 | 118.4 | -179.3 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | A328 | S326-A328 PolarHBondContact O-N 2.97Š|
| 327 | S | 43.7 | Very low | 42.3 | Very low | 114 Ų | 114 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 68 | 176.4 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | L325 | L325-S327 PolarHBondContact O-N 2.9Š|
| 328 | A | 50.9 | Low | 42 | Very low | 63 Ų | 63 | 134.2 Ų | 134.2 | 52% | 0.521 | 77% | 0.772 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -127.2 | -35.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S326 L330 | S326-A328 PolarHBondContact O-N 2.97Å; A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.96Å |
| 329 | D | 46.9 | Very low | 42.1 | Very low | 122 Ų | 122 | 133 Ų | 133 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -81.2 | -2.5 | -175.3 | -71.1 | -64 | 0 | 0 | 0 | 115.3 | S331 S332 | D329-S331 PolarHBondContact O-N 3.13Å; D329-S331 VanDerWaalsContact O-N 3.07Å; D329-S332 PolarHBondContact O-OG 2.96Å |
| 330 | L | 47.8 | Very low | 41.8 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -73 | 6.6 | 175.5 | -65.5 | 179.7 | 0 | 0 | 0 | 114.2 | A328 | A328-L330 VanDerWaalsContact C-N 3.33Å; A328-L330 PolarHBondContact O-N 2.96Å |
| 331 | S | 48.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | G | 310 helix | trans | -119.3 | 2.8 | -176.7 | -59.2 | 0 | 0 | 0 | 0 | 114.4 | D329 | D329-S331 PolarHBondContact O-N 3.13Å; D329-S331 VanDerWaalsContact O-N 3.07Å |
| 332 | S | 49.6 | Very low | 42 | Very low | 76 Ų | 76 | 130.4 Ų | 130.4 | 53% | 0.531 | 78% | 0.778 | S | S | . | * | S | Bend | trans | -107.7 | -8.3 | -174.7 | 58.8 | 0 | 0 | 0 | 0 | 115.1 | D329 S334 | D329-S332 PolarHBondContact O-OG 2.96Å; S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.15Å |
| 333 | L | 44.1 | Very low | 41.8 | Very low | 164 Ų | 164 | 130.2 Ų | 130.2 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -88.1 | 40.5 | -178.9 | -71.6 | 174.5 | 0 | 0 | 0 | 114.5 | G335 | L333-G335 PolarHBondContact O-N 3.2Š|
| 334 | S | 41.4 | Very low | 41.5 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | | | trans | -81.7 | 52.8 | 170.3 | 46.8 | 0 | 0 | 0 | 0 | 112 | S332 | S332-S334 VanDerWaalsContact C-N 3.28Å; S332-S334 PolarHBondContact O-N 3.15Å |
| 335 | G | 37.9 | Very low | 41.2 | Very low | 54 Ų | 54 | 124.8 Ų | 124.8 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | | | trans | -119.5 | -14.2 | -159 | 0 | 0 | 0 | 0 | 0 | 119.2 | L333 | L333-G335 PolarHBondContact O-N 3.2Š|
| 336 | F | 36.8 | Very low | 40.7 | Very low | 214 Ų | 214 | 122.3 Ų | 122.3 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | | | trans | -133.4 | 77 | -174.9 | -74.8 | -74.5 | 0 | 0 | 0 | 113.7 | | |
| 337 | N | 34.6 | Very low | 40.8 | Very low | 152 Ų | 152 | 124.6 Ų | 124.6 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | | | trans | -97.2 | 115.8 | 163.3 | -79.5 | -57.2 | 0 | 0 | 0 | 110.3 | | |
| 338 | T | 35 | Very low | 40.9 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 88% | 0.883 | 78% | 0.779 | S | S | * | * | | | trans | -124 | 80.7 | 155.8 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 339 | A | 37.6 | Very low | 40.3 | Very low | 91 Ų | 91 | 126 Ų | 126 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -72.9 | 139.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 340 | S | 36 | Very low | 40 | Very low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -154.5 | 71.1 | 163.2 | -87.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 341 | A | 40 | Very low | 39.7 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -103.2 | 63.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 342 | L | 40 | Very low | 39.6 | Very low | 160 Ų | 160 | 134.7 Ų | 134.7 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -151.6 | 153.9 | 175 | -69.9 | 179.7 | 0 | 0 | 0 | 105.8 | | |
| 343 | H | 35.3 | Very low | 39.1 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 70% | 0.704 | 81% | 0.806 | S | S | * | * | | | cis | 178.1 | 178.2 | -9.7 | 167.4 | -95.1 | 0 | 0 | 0 | 103.1 | G345 | H343-G345 PolarHBondContact O-N 3.22Š|
| 344 | L | 34.8 | Very low | 39 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 80% | 0.801 | 80% | 0.802 | S | S | * | * | | | trans | -48.6 | 135.8 | 177.6 | -73.2 | 57.1 | 0 | 0 | 0 | 113 | | |
| 345 | G | 35.6 | Very low | 38.8 | Very low | 79 Ų | 79 | 138.5 Ų | 138.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | | | trans | -178.5 | 87.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | H343 | H343-G345 PolarHBondContact O-N 3.22Š|
| 346 | S | 36.9 | Very low | 39.1 | Very low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -91.2 | 123.2 | 168.5 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 347 | V | 44.3 | Very low | 39.4 | Very low | 147 Ų | 147 | 140 Ų | 140 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -149.9 | 156.4 | 158 | -86 | 0 | 0 | 0 | 0 | 109.8 | | |
| 348 | T | 44.8 | Very low | 40.2 | Very low | 138 Ų | 138 | 140.3 Ų | 140.3 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | trans | -116 | 159.2 | -161.1 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 349 | G | 38.3 | Very low | 41 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | 116.2 | 113.4 | 133.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 350 | W | 40.7 | Very low | 41.7 | Very low | 243 Ų | 243 | 140 Ų | 140 | 92% | 0.92 | 78% | 0.783 | S | S | * | * | | | trans | -124.5 | 83.7 | 154.6 | -93.4 | 91.9 | 0 | 0 | 0 | 110.5 | | |
| 351 | Q | 42 | Very low | 42.6 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | 32.8 | 103.1 | 130.9 | -169.6 | 178.3 | 23.5 | 0 | 0 | 119.7 | | |
| 352 | Q | 45 | Very low | 42.9 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -149.1 | 154.2 | 135.1 | -154.2 | 90.1 | 47.9 | 0 | 0 | 109.6 | | |
| 353 | Q | 40.8 | Very low | 43.1 | Very low | 154 Ų | 154 | 140.5 Ų | 140.5 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | | | trans | -91.3 | 165.9 | -153.7 | -67.6 | 162 | -71.3 | 0 | 0 | 117.2 | | |
| 354 | H | 40.2 | Very low | 43.6 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | | | trans | 69.3 | 141.5 | 164.3 | -80.5 | -140.9 | 0 | 0 | 0 | 117.9 | | |
| 355 | L | 39.1 | Very low | 44.1 | Very low | 110 Ų | 110 | 138 Ų | 138 | 58% | 0.576 | 78% | 0.779 | S | S | * | * | | | cis | -168.7 | 155.9 | -24.8 | -135.9 | 153.6 | 0 | 0 | 0 | 107.2 | | |
| 356 | H | 42.6 | Very low | 44.5 | Very low | 160 Ų | 160 | 142 Ų | 142 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | | | trans | 45.1 | 134.7 | 161.7 | 53.3 | 32.7 | 0 | 0 | 0 | 120.6 | | |
| 357 | N | 44.3 | Very low | 44.7 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | cis | -167.3 | 137.5 | 16.7 | -156.9 | 43.2 | 0 | 0 | 0 | 114.9 | | |
| 358 | M | 50.7 | Low | 44.5 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | 73.3 | 161.7 | 145.9 | -72.5 | -56.8 | 162.3 | 0 | 0 | 123.4 | | |
| 359 | P | 52.2 | Low | 44.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | | | trans | -126.6 | -177 | -130.4 | 47.6 | -36.7 | 0 | 0 | 0 | 118.9 | | |
| 360 | P | 52.1 | Low | 44.3 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | trans | -122.2 | -179.4 | -166 | 44.5 | -33.3 | 0 | 0 | 0 | 117.4 | | |
| 361 | S | 54.9 | Low | 44.2 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | | | trans | -157.2 | 174.4 | 164.9 | -80.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 362 | A | 45.4 | Very low | 44.2 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | | -179.8 | 112.3 | -81.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 363 | L | 46 | Very low | 44 | Very low | 178 Ų | 178 | 130.3 Ų | 130.3 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | | | trans | -160.4 | 158.6 | 159.2 | -145.7 | 69.3 | 0 | 0 | 0 | 115.4 | | |
| 364 | S | 44.5 | Very low | 43.9 | Very low | 92 Ų | 92 | 130.6 Ų | 130.6 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | trans | -69.9 | -172.6 | -175.4 | -38.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 365 | Q | 45.5 | Very low | 43.7 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | | | cis | -168.5 | 154 | 11.8 | -144.9 | 160.6 | -39.6 | 0 | 0 | 113.6 | | |
| 366 | L | 43.7 | Very low | 43.8 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | 58.8 | 160 | 157.5 | -75.2 | 154.6 | 0 | 0 | 0 | 118.9 | | |
| 367 | G | 41.6 | Very low | 43.6 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | cis | -169.7 | 175.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 368 | A | 40.4 | Very low | 43.7 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | | | trans | -147 | 146.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 369 | C | 39.3 | Very low | 43.1 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -166.9 | 109.4 | 158.3 | 55.7 | 0 | 0 | 0 | 0 | 115.9 | | |
| 370 | T | 39.9 | Very low | 42.5 | Very low | 137 Ų | 137 | 131 Ų | 131 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | | | trans | 33.8 | 125.1 | 132.9 | 57 | 0 | 0 | 0 | 0 | 125 | | |
| 371 | S | 38.9 | Very low | 42 | Very low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | | 97.6 | 137.4 | 123.5 | -162.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 372 | T | 40.2 | Very low | 41.2 | Very low | 122 Ų | 122 | 133 Ų | 133 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | 62.3 | 128.6 | 151.6 | 34.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 373 | H | 41.4 | Very low | 41.1 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | | | cis | -174.3 | 171.5 | 39.7 | 57.8 | -58.2 | 0 | 0 | 0 | 112.7 | | |
| 374 | L | 39.4 | Very low | 40.9 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | 66.6 | 163.7 | 157.2 | -104.6 | 63.2 | 0 | 0 | 0 | 121 | | |
| 375 | S | 36.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | trans | -135.7 | 143.8 | -167.5 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | | |
| 376 | Q | 40.7 | Very low | 41.1 | Very low | 202 Ų | 202 | 134.1 Ų | 134.1 | 94% | 0.944 | 81% | 0.806 | S | S | * | * | | | trans | -163.9 | 160.7 | 146.3 | -112.7 | 168.2 | 33.9 | 0 | 0 | 111.8 | | |
| 377 | S | 38.2 | Very low | 41.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | -84.4 | 140.5 | -168.4 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 378 | S | 46.3 | Very low | 42 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | | | trans | -155.2 | 162.9 | 155.8 | -85.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 379 | N | 38.5 | Very low | 42.4 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -97.4 | 162.5 | -161 | -98.4 | -70.5 | 0 | 0 | 0 | 115 | | |
| 380 | L | 38.8 | Very low | 43.3 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | | | trans | 64.5 | 101.1 | 156.2 | -67.7 | 157.6 | 0 | 0 | 0 | 119.3 | | |
| 381 | S | 41.2 | Very low | 44.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | | | | -174.3 | 145.7 | 119 | 32.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 382 | L | 38.2 | Very low | 45.5 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | | | trans | -106 | 152.8 | 170.9 | -107 | 74 | 0 | 0 | 0 | 108.4 | | |
| 383 | P | 43.5 | Very low | 46.5 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | | -155 | 136.9 | 91.7 | 37 | -16.4 | 0 | 0 | 0 | 118.9 | | |
| 384 | S | 42.6 | Very low | 47.6 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 82% | 0.823 | S | S | * | * | | | trans | 78.9 | 158.7 | 132.5 | -148.4 | 0 | 0 | 0 | 0 | 123 | | |
| 385 | T | 43.6 | Very low | 49 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | | | trans | 62.4 | 92.3 | 168 | 58.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 386 | Q | 49.9 | Very low | 50 | Low | 201 Ų | 201 | 144.4 Ų | 144.4 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | | | | -158.9 | 155.4 | 105.1 | -105.2 | 171 | 62.8 | 0 | 0 | 111 | | |
| 387 | S | 46.9 | Very low | 51.4 | Low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | -104 | 130.4 | -160.8 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 388 | L | 56.9 | Low | 52.6 | Low | 166 Ų | 166 | 141 Ų | 141 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | | | trans | -115.1 | 129.4 | 164.3 | -74.9 | 170.5 | 0 | 0 | 0 | 109.5 | | |
| 389 | N | 50.4 | Low | 53.1 | Low | 157 Ų | 157 | 146.8 Ų | 146.8 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -100.8 | 96.3 | 179.4 | 179.4 | 15.7 | 0 | 0 | 0 | 109.8 | | |
| 390 | I | 58 | Low | 54.1 | Low | 148 Ų | 148 | 146.8 Ų | 146.8 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | | | trans | -121.9 | 124.8 | 171.4 | -59 | 178.2 | 0 | 0 | 0 | 107.9 | | |
| 391 | K | 61.8 | Low | 54.3 | Low | 201 Ų | 201 | 150.7 Ų | 150.7 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -96.6 | 98.3 | -167.8 | -176.8 | -179.7 | 178.6 | -178.1 | 0 | 110.7 | | |
| 392 | S | 61.8 | Low | 54.8 | Low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 158.6 | 172.9 | 43.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 393 | E | 62.2 | Low | 55.1 | Low | 185 Ų | 185 | 149.4 Ų | 149.4 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 157.7 | 177.5 | -87.1 | -172.4 | 94 | 0 | 0 | 113.6 | | |
| 394 | P | 63.8 | Low | 55 | Low | 119 Ų | 119 | 149.5 Ų | 149.5 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 141.5 | 179.4 | 31.3 | -35.4 | 0 | 0 | 0 | 113 | | |
| 395 | V | 69.2 | Low | 55 | Low | 139 Ų | 139 | 150.8 Ų | 150.8 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 143.6 | 175.9 | 65.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 396 | S | 58.2 | Low | 54.7 | Low | 104 Ų | 104 | 150.4 Ų | 150.4 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 139.3 | 173.3 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 397 | P | 70.1 | Confident | 54.1 | Low | 119 Ų | 119 | 152.4 Ų | 152.4 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 149 | -179.7 | -21.2 | 33.5 | 0 | 0 | 0 | 114.1 | | |
| 398 | P | 62.7 | Low | 53.7 | Low | 121 Ų | 121 | 156.9 Ų | 156.9 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 165.1 | 172.9 | 32.3 | -36 | 0 | 0 | 0 | 112 | | |
| 399 | R | 58 | Low | 53 | Low | 246 Ų | 246 | 154.1 Ų | 154.1 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | | | trans | -134.2 | 92.7 | -176 | -160.1 | 178.4 | -164 | 171.1 | 5.5 | 111.2 | | |
| 400 | D | 58.2 | Low | 52.5 | Low | 155 Ų | 155 | 154.2 Ų | 154.2 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | | | trans | -61.1 | 151.3 | 178.6 | -73.3 | -68.6 | 0 | 0 | 0 | 113.6 | | |
| 401 | R | 42.8 | Very low | 51.8 | Low | 242 Ų | 242 | 154.1 Ų | 154.1 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | | | trans | -150.2 | 90.8 | -178.1 | -166.3 | -176 | -167.7 | -158.8 | 3.6 | 111.8 | | |
| 402 | T | 53.2 | Low | 50.9 | Low | 129 Ų | 129 | 150.5 Ų | 150.5 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -125.9 | 113.3 | 178.1 | -57 | 0 | 0 | 0 | 0 | 112.5 | | |
| 403 | T | 44.5 | Very low | 49.8 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 80% | 0.798 | 80% | 0.801 | S | S | * | * | | | trans | 19.5 | 126.2 | 146.3 | -46.4 | 0 | 0 | 0 | 0 | 121 | | |
| 404 | T | 41 | Very low | 49 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -66.9 | 157.6 | 169 | 42.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 405 | P | 41.6 | Very low | 48 | Very low | 126 Ų | 126 | 155.9 Ų | 155.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | | -147.4 | 142.4 | 104.1 | 36.4 | -19.9 | 0 | 0 | 0 | 118.1 | | |
| 406 | S | 37.8 | Very low | 47 | Very low | 114 Ų | 114 | 153.8 Ų | 153.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | | | trans | 7.8 | 124.8 | 152.3 | -167.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 407 | R | 38.2 | Very low | 46.4 | Very low | 242 Ų | 242 | 152.3 Ų | 152.3 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | | | | -161.2 | 141 | 129.5 | -139.1 | 174.2 | -176.9 | -180 | 1.1 | 113 | | |
| 408 | Y | 37.9 | Very low | 45.4 | Very low | 215 Ų | 215 | 158.7 Ų | 158.7 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | trans | -119.8 | 159.3 | 169.3 | -77.5 | -81.3 | 0 | 0 | 0 | 109.5 | | |
| 409 | P | 42.2 | Very low | 44.7 | Very low | 107 Ų | 107 | 158.3 Ų | 158.3 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | | -155.9 | 150.4 | 93.5 | 37.9 | -18.1 | 0 | 0 | 0 | 118.9 | | |
| 410 | Q | 40.4 | Very low | 44.3 | Very low | 159 Ų | 159 | 151.6 Ų | 151.6 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | | | trans | 58.9 | 150.1 | 144.3 | -58.5 | 176.1 | 0.8 | 0 | 0 | 120 | | |
| 411 | H | 41.9 | Very low | 44 | Very low | 147 Ų | 147 | 150.8 Ų | 150.8 | 68% | 0.681 | 79% | 0.79 | S | S | * | * | | | cis | -155.6 | 147.4 | 33 | -88.2 | -85.3 | 0 | 0 | 0 | 114.5 | | |
| 412 | T | 42.5 | Very low | 43.9 | Very low | 125 Ų | 125 | 145.2 Ų | 145.2 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | | | trans | 57.5 | 148.6 | 144.4 | 60.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 413 | R | 38.8 | Very low | 43.4 | Very low | 202 Ų | 202 | 143 Ų | 143 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | | | cis | -164.3 | 150.5 | -0.8 | -132 | 178.6 | 157.3 | -170.8 | -7.2 | 110.8 | | |
| 414 | H | 46 | Very low | 43.3 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 73% | 0.731 | 77% | 0.773 | S | S | * | * | | | trans | 61.4 | 149 | 162 | -63 | -69.3 | 0 | 0 | 0 | 118.5 | | |
| 415 | E | 42.2 | Very low | 43.3 | Very low | 168 Ų | 168 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | cis | -146.8 | -179.7 | -7 | -138.7 | -172.8 | 110.1 | 0 | 0 | 112.9 | | |
| 416 | A | 48.3 | Very low | 43.1 | Very low | 95 Ų | 95 | 142.8 Ų | 142.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -39.6 | 141.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 417 | G | 45.5 | Very low | 43.2 | Very low | 72 Ų | 72 | 143.8 Ų | 143.8 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -159.9 | -5.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 418 | R | 50.9 | Low | 43.2 | Very low | 254 Ų | 254 | 137.9 Ų | 137.9 | 96% | 0.958 | 77% | 0.768 | S | S | * | * | | | trans | 67.9 | 148.9 | -175.3 | -57.9 | 178.2 | 176.9 | -105 | -1.4 | 116.4 | | |
| 419 | S | 47.6 | Very low | 43.2 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | -150.6 | -167.8 | -173.7 | 55.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 420 | P | 50 | Low | 43 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | | -124.8 | 172 | -56.7 | 33.4 | -18.6 | 0 | 0 | 0 | 112 | | |
| 421 | V | 50.1 | Low | 43.5 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | | | | -160.9 | 121 | 129.4 | 61.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 422 | D | 42.4 | Very low | 43.6 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | -33.9 | 174.2 | 157.6 | -70.4 | -87 | 0 | 0 | 0 | 119.6 | | |
| 423 | S | 40.8 | Very low | 43.5 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 59% | 0.587 | 77% | 0.769 | S | S | * | * | | | cis | 178.5 | 138.2 | -28.5 | -91.9 | 0 | 0 | 0 | 0 | 108 | | |
| 424 | L | 42.7 | Very low | 44 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | | | trans | 62.9 | 169.8 | 162.2 | -55.7 | 168.2 | 0 | 0 | 0 | 114.8 | | |
| 425 | S | 42.4 | Very low | 43.9 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | cis | -146.7 | 160.3 | -9.1 | -138.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 426 | S | 36.8 | Very low | 44.4 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | | | trans | -82.6 | 144.7 | 168.5 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 427 | C | 40.3 | Very low | 44.2 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 91% | 0.905 | 77% | 0.766 | S | S | * | * | | | trans | -162.2 | 157.6 | 142.1 | -118.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 428 | S | 37.4 | Very low | 44.1 | Very low | 118 Ų | 118 | 135.7 Ų | 135.7 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | | | trans | -140.9 | 122.9 | 175 | 172.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 429 | S | 38.3 | Very low | 44.1 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -173.4 | 142.1 | 162.9 | 54.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 430 | S | 38.5 | Very low | 43.6 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | | | trans | 45.7 | 117.6 | 142.8 | 63.2 | 0 | 0 | 0 | 0 | 120.8 | | |
| 431 | Y | 49.5 | Very low | 43.4 | Very low | 221 Ų | 221 | 140.5 Ų | 140.5 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | | | | -127.7 | 148.5 | 117 | -167.2 | -110.4 | 0 | 0 | 0 | 108.9 | | |
| 432 | D | 45.3 | Very low | 42.7 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -99.1 | 172.4 | -174.8 | -166.6 | 14.4 | 0 | 0 | 0 | 110.8 | | |
| 433 | G | 40 | Very low | 42.7 | Very low | 64 Ų | 64 | 144.3 Ų | 144.3 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | | | trans | -72.4 | 147.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 434 | S | 49.9 | Very low | 42.7 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | | | trans | -145.5 | 118.2 | 153 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 435 | D | 43.6 | Very low | 42.5 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | | | trans | -56.5 | 147.1 | 157.7 | -89.1 | -75.1 | 0 | 0 | 0 | 110.9 | | |
| 436 | R | 51.7 | Low | 42.9 | Very low | 211 Ų | 211 | 145.9 Ų | 145.9 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | trans | -169.7 | 103.7 | 136.1 | -113.6 | 166.9 | 178.7 | 138.5 | 5.6 | 115 | | |
| 437 | E | 45.5 | Very low | 43.3 | Very low | 155 Ų | 155 | 148.7 Ų | 148.7 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | | | | 50.9 | 122.8 | 127.3 | -59.1 | 174.5 | 96.3 | 0 | 0 | 119.6 | | |
| 438 | D | 42 | Very low | 43.4 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -45.5 | 147.1 | 170.2 | -63.5 | -110.5 | 0 | 0 | 0 | 115.1 | | |
| 439 | H | 50.5 | Low | 43.8 | Very low | 196 Ų | 196 | 147.4 Ų | 147.4 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | | | trans | -143.8 | 118.4 | 142.4 | -92.6 | 77.5 | 0 | 0 | 0 | 110.2 | | |
| 440 | R | 38 | Very low | 44 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 82% | 0.815 | 78% | 0.78 | S | S | * | * | | | trans | -70.1 | 151.4 | 169.3 | -83.8 | 174.2 | 155.8 | 174 | -9.3 | 111 | | |
| 441 | N | 45.3 | Very low | 44.2 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | -160.9 | 115.1 | 137.7 | -102 | -24.5 | 0 | 0 | 0 | 110.5 | | |
| 442 | E | 36 | Very low | 44 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | trans | -75.4 | 155.3 | 158.2 | -63.1 | 166.3 | 82.3 | 0 | 0 | 109.1 | | |
| 443 | F | 43 | Very low | 43.6 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | | | trans | -163.9 | 103.5 | 143.3 | -110.1 | -72.4 | 0 | 0 | 0 | 112.1 | | |
| 444 | H | 39.8 | Very low | 44.1 | Very low | 169 Ų | 169 | 149.6 Ų | 149.6 | 78% | 0.782 | 78% | 0.78 | S | S | * | * | | | trans | 65.5 | 127.8 | 147.8 | -77 | -127.5 | 0 | 0 | 0 | 122.9 | | |
| 445 | S | 39.3 | Very low | 44.1 | Very low | 110 Ų | 110 | 152.2 Ų | 152.2 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -89.8 | -164.4 | 153.4 | -41.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 446 | P | 49.9 | Very low | 43.9 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -149.7 | -160.3 | 22.6 | 39.8 | -13.7 | 0 | 0 | 0 | 117.4 | | |
| 447 | I | 44.6 | Very low | 43.6 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | | | trans | 83 | 137.7 | 162.1 | -63.9 | 159.5 | 0 | 0 | 0 | 117.4 | | |
| 448 | G | 42.4 | Very low | 43.6 | Very low | 71 Ų | 71 | 153.7 Ų | 153.7 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -173.2 | -25.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 449 | L | 46 | Very low | 43.4 | Very low | 154 Ų | 154 | 152 Ų | 152 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | | | trans | 66.3 | 135.1 | 166.9 | -68.3 | 163.8 | 0 | 0 | 0 | 123.1 | | |
| 450 | T | 42.9 | Very low | 43.3 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | 75.3 | 101.5 | 139.4 | 49.9 | 0 | 0 | 0 | 0 | 126.1 | | |
| 451 | R | 42.5 | Very low | 43.6 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | | 68.8 | 160 | 116.1 | -88.4 | -148.9 | 139.7 | -170 | -4.5 | 123 | | |
| 452 | P | 45.3 | Very low | 43.6 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 78% | 0.777 | S | S | * | * | | | trans | -142.6 | -159.7 | -138.7 | 46.9 | -26.6 | 0 | 0 | 0 | 117 | | |
| 453 | S | 37.6 | Very low | 44.3 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | trans | 79.9 | 163.4 | 165.5 | -113 | 0 | 0 | 0 | 0 | 116.6 | | |
| 454 | P | 50.3 | Low | 44.6 | Very low | 101 Ų | 101 | 144.6 Ų | 144.6 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | | | cis | -137.8 | -174.2 | 6.7 | 43.6 | -26.2 | 0 | 0 | 0 | 117.9 | | |
| 455 | D | 49.2 | Very low | 44.7 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | 92.2 | 147.8 | 144.3 | -82 | -58.3 | 0 | 0 | 0 | 123.5 | | |
| 456 | E | 39.2 | Very low | 45.2 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -111.3 | 151.1 | -171 | -50.9 | 178.4 | 97.2 | 0 | 0 | 112.3 | | |
| 457 | R | 46.9 | Very low | 45.2 | Very low | 217 Ų | 217 | 152.1 Ų | 152.1 | 82% | 0.819 | 79% | 0.789 | S | S | * | * | | | | 176 | 152.6 | 124.4 | -100.2 | 167.6 | -180 | -102.4 | 2.2 | 115.9 | | |
| 458 | E | 45.4 | Very low | 45.6 | Very low | 156 Ų | 156 | 149.3 Ų | 149.3 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | | | trans | 60.7 | 119.3 | 150 | -75.1 | 162.5 | 72 | 0 | 0 | 121.6 | | |
| 459 | S | 37.4 | Very low | 45.7 | Very low | 115 Ų | 115 | 155.6 Ų | 155.6 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -114.6 | -174.5 | 165.1 | -72.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 460 | P | 48.9 | Very low | 46.4 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | cis | -129 | 166.1 | -45.4 | 33.5 | -18.8 | 0 | 0 | 0 | 112.3 | | |
| 461 | S | 43.2 | Very low | 46.5 | Very low | 115 Ų | 115 | 158.5 Ų | 158.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -155 | 114.3 | 158.5 | -152.6 | 0 | 0 | 0 | 0 | 117.5 | | |
| 462 | V | 46.4 | Very low | 47.2 | Very low | 128 Ų | 128 | 151.6 Ų | 151.6 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | 16.3 | 111.1 | 144.3 | -169.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 463 | K | 49.9 | Very low | 47.6 | Very low | 177 Ų | 177 | 157 Ų | 157 | 77% | 0.77 | 83% | 0.829 | S | S | * | * | | | | -164.5 | 108.6 | 129.1 | -107.8 | 150.1 | -170 | 165.9 | 0 | 116.3 | | |
| 464 | R | 50.1 | Low | 48.1 | Very low | 220 Ų | 220 | 159.3 Ų | 159.3 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | | | | 61.4 | 98.2 | 126.1 | -154.9 | 176.1 | -66.9 | 152.9 | -5.4 | 119.3 | | |
| 465 | M | 40.5 | Very low | 48 | Very low | 160 Ų | 160 | 162.3 Ų | 162.3 | 79% | 0.788 | 84% | 0.841 | S | S | * | * | | | trans | -39.4 | 141.1 | 159.9 | 177 | -176.8 | 74.8 | 0 | 0 | 115.1 | L467 | M465-L467 HydrophobicContact SD-CD1 4.21Š|
| 466 | R | 51.2 | Low | 48 | Very low | 239 Ų | 239 | 162.9 Ų | 162.9 | 90% | 0.902 | 84% | 0.843 | S | S | * | * | | | trans | -140.5 | 138.7 | 152.9 | -161.1 | 176.1 | -171.8 | 102.1 | 0.5 | 109.9 | | |
| 467 | L | 49.7 | Very low | 48.5 | Very low | 148 Ų | 148 | 162.1 Ų | 162.1 | 78% | 0.775 | 84% | 0.844 | S | S | * | * | | | trans | -111.8 | 139.9 | 178.2 | -82.5 | 156.4 | 0 | 0 | 0 | 110.2 | M465 | M465-L467 HydrophobicContact SD-CD1 4.21Š|
| 468 | S | 52.5 | Low | 48.6 | Very low | 104 Ų | 104 | 158.7 Ų | 158.7 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | | | trans | -160.2 | 99.7 | 163.4 | 49.1 | 0 | 0 | 0 | 0 | 105.6 | | |
| 469 | E | 44.9 | Very low | 48.8 | Very low | 203 Ų | 203 | 158.9 Ų | 158.9 | 95% | 0.949 | 85% | 0.853 | S | S | * | * | | | | 63.8 | 122.9 | 89.5 | -77.3 | -165.7 | 138 | 0 | 0 | 113.9 | | |
| 470 | G | 60.7 | Low | 49.6 | Very low | 70 Ų | 70 | 162 Ų | 162 | 72% | 0.722 | 86% | 0.857 | S | S | * | * | | | trans | 159.1 | 88.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 471 | W | 44 | Very low | 49.7 | Very low | 266 Ų | 266 | 165.2 Ų | 165.2 | 100% | 1.008 | 86% | 0.862 | S | S | * | * | | | trans | -150.2 | 92.3 | 170.7 | -92.5 | 92.4 | 0 | 0 | 0 | 108.7 | | |
| 472 | A | 58.3 | Low | 50.2 | Low | 99 Ų | 99 | 169.3 Ų | 169.3 | 82% | 0.818 | 87% | 0.867 | S | S | * | * | | | trans | -168.6 | 76 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 473 | T | 54.5 | Low | 50.5 | Low | 218 Ų | 218 | 173.1 Ų | 173.1 | 100% | 1.337 | 88% | 0.875 | S | S | * | * | | | trans | -152.9 | 0 | 150.1 | 50.3 | 0 | 0 | 0 | 0 | 107.5 | | |