| 1 | M | 65.7 | Low | 92 | Very high | 229 Ų | 229 | 149.9 Ų | 149.9 | 100% | 1.128 | 72% | 0.719 | S | S | * | * | | | | 0 | 133.2 | 0 | -177.5 | 155 | 61.6 | 0 | 0 | 109 | | |
| 2 | G | 86.9 | Confident | 92.4 | Very high | 67 Ų | 67 | 149.3 Ų | 149.3 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | | | trans | -79.3 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 3 | R | 91.3 | Very high | 92.8 | Very high | 258 Ų | 258 | 143.5 Ų | 143.5 | 97% | 0.974 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.2 | 171.8 | -61 | -179.1 | -173.9 | 178.1 | 3 | 109.3 | | |
| 4 | K | 94.3 | Very high | 93.1 | Very high | 175 Ų | 175 | 141.2 Ų | 141.2 | 76% | 0.761 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 150.8 | 170.6 | -64.8 | -172.2 | 176.9 | -173.4 | 0 | 110.5 | | |
| 5 | K | 94.4 | Very high | 93.4 | Very high | 212 Ų | 212 | 145.1 Ų | 145.1 | 92% | 0.922 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 143.3 | 167.5 | -172.3 | 177.9 | -180 | -177.7 | 0 | 108.8 | | |
| 6 | I | 95.1 | Very high | 93.6 | Very high | 90 Ų | 90 | 141.6 Ų | 141.6 | 46% | 0.462 | 67% | 0.672 | S | S | . | * | | | trans | -131.4 | 153.5 | 172.6 | 67.2 | 173.2 | 0 | 0 | 0 | 109.4 | | |
| 7 | Q | 96.5 | Very high | 93.8 | Very high | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 64% | 0.642 | S | S | * | * | | | trans | -70.1 | 158.1 | 171.2 | -69.2 | 174.7 | -16.7 | 0 | 0 | 111 | T9 | Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 HydrophobicContact CB-CG2 4.39Å; Q7-T9 PolarHBondContact O-N 2.62Å |
| 8 | I | 96.5 | Very high | 94 | Very high | 144 Ų | 144 | 133.4 Ų | 133.4 | 74% | 0.738 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -92.1 | 71.3 | 176.4 | -52.3 | -57 | 0 | 0 | 0 | 108.9 | | |
| 9 | T | 96.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 130.3 Ų | 130.3 | 60% | 0.601 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -131.7 | 169.8 | 178.5 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | Q7 I11 | Q7-T9 VanDerWaalsContact C-N 3.33Å; Q7-T9 HydrophobicContact CB-CG2 4.39Å; Q7-T9 PolarHBondContact O-N 2.62Å; T9-I11 PolarHBondContact O-N 3.13Å |
| 10 | R | 96.6 | Very high | 94.4 | Very high | 168 Ų | 168 | 125.6 Ų | 125.6 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | | | trans | -65.2 | 117.1 | 178.1 | -178.3 | 175.3 | 178.9 | 147.5 | -1.1 | 110.1 | M12 | R10-M12 HydrophobicContact CB-SD 4.44Å; R10-M12 HydrophobicContact CG-SD 4.1Å; R10-M12 PolarHBondContact O-N 2.88Å; R10-M12 VanDerWaalsContact O-N 3.16Å |
| 11 | I | 97.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 121.9 Ų | 121.9 | 26% | 0.256 | 58% | 0.582 | S | S | . | * | | | trans | -66.5 | 113.8 | 172.8 | -58 | 173.3 | 0 | 0 | 0 | 108.4 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 3.13Å; I11-N16 HydrophobicContact CG2-CB 4.18Å; I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.32Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.25Å; I11-T20 HydrophobicContact CD1-CG2 3.74Å |
| 12 | M | 97.5 | Very high | 96.1 | Very high | 143 Ų | 143 | 114.5 Ų | 114.5 | 70% | 0.704 | 55% | 0.551 | S | S | * | * | | | trans | -74.9 | -43.3 | -174 | -64.3 | -51.1 | -61 | 0 | 0 | 113.2 | R10 E14 R17 | R10-M12 HydrophobicContact CB-SD 4.44Å; R10-M12 HydrophobicContact CG-SD 4.1Å; R10-M12 PolarHBondContact O-N 2.88Å; R10-M12 VanDerWaalsContact O-N 3.16Å; M12-E14 PolarHBondContact O-N 2.91Å; M12-R17 PolarHBondContact O-NH1 3.17Å; M12-R17 VanDerWaalsContact O-NH1 3.1Å |
| 13 | D | 97.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 118.6 Ų | 118.6 | 40% | 0.396 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -60.8 | 118.2 | 173.6 | 171.3 | -1.8 | 0 | 0 | 0 | 111.2 | R15 N16 R17 | D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 PolarHBondContact OD1-N 2.92Å; D13-N16 HydrophobicContact CB-CB 4.17Å; D13-N16 PolarHBondContact O-N 3.34Å; D13-N16 PolarHBondContact OD1-N 3.22Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.41Å; D13-R17 VanDerWaalsContact O-CB 3.24Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.37Å |
| 14 | E | 97.2 | Very high | 96.9 | Very high | 111 Ų | 111 | 113 Ų | 113 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | -179.9 | -161.4 | 64.8 | -116.8 | 0 | 0 | 113.2 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 2.91Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 IonicContact OE1-CZ 3.14Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 IonicContact OE1-NH2 2.86Å; E14-R17 PolarHBondContact OE1-NH2 3.36Å; E14-R17 IonicContact OE2-CZ 3.84Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.49Å; E14-R17 PolarHBondContact OE2-NH2 3.13Å; E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 3.39Å |
| 15 | R | 97.6 | Very high | 97.1 | Very high | 199 Ų | 199 | 106.7 Ų | 106.7 | 75% | 0.751 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68 | -46.9 | -176.1 | -174.6 | -174.4 | -68 | 140 | -3.5 | 109.9 | D13 Q18 V19 | D13-R15 PolarHBondContact O-N 3.19Å; D13-R15 WeakPolarHBondContact OD1-CB 3.35Å; D13-R15 PolarHBondContact OD1-N 2.92Å; R15-Q18 PolarHBondContact O-N 3.37Å; R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.4Å; R15-V19 PolarHBondContact O-N 2.97Å |
| 16 | N | 96.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 103.6 Ų | 103.6 | 48% | 0.481 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.2 | -34.1 | 175.8 | -85.8 | -49.9 | 0 | 0 | 0 | 112.3 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.18Å; D13-N16 HydrophobicContact CB-CB 4.17Å; D13-N16 PolarHBondContact O-N 3.34Å; D13-N16 PolarHBondContact OD1-N 3.22Å; D13-N16 WeakPolarHBondContact OD2-CB 3.5Å; D13-N16 PolarHBondContact OD2-ND2 3.41Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.32Å; N16-T20 PolarHBondContact O-OG1 3.1Å |
| 17 | R | 97.7 | Very high | 97.4 | Very high | 42 Ų | 42 | 101 Ų | 101 | 16% | 0.158 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 173.5 | -174 | 167 | 66.9 | -111 | 7.4 | 111.4 | I11 M12 D13 E14 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.32Å; I11-R17 HydrophobicContact CG2-CB 3.98Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.25Å; M12-R17 PolarHBondContact O-NH1 3.17Å; M12-R17 VanDerWaalsContact O-NH1 3.1Å; D13-R17 VanDerWaalsContact O-CB 3.24Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.37Å; E14-R17 PolarHBondContact O-N 3.08Å; E14-R17 IonicContact OE1-CZ 3.14Å; E14-R17 VanDerWaalsContact OE1-CZ 3.29Å; E14-R17 IonicContact OE1-NE 2.71Å; E14-R17 IonicContact OE1-NH2 2.86Å; E14-R17 PolarHBondContact OE1-NH2 3.36Å; E14-R17 IonicContact OE2-CZ 3.84Å; E14-R17 IonicContact OE2-NH1 2.71Å; E14-R17 IonicContact OE2-NH2 3.49Å; E14-R17 PolarHBondContact OE2-NH2 3.13Å; R17-T20 PolarHBondContact O-N 2.81Å; R17-F21 WeakPolarHBondContact O-CB 3.35Å; R17-F21 PolarHBondContact O-N 2.97Å |
| 18 | Q | 97.5 | Very high | 97.5 | Very high | 93 Ų | 93 | 97.7 Ų | 97.7 | 44% | 0.435 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.8 | -44 | -179.8 | -179.7 | 60.6 | 6.1 | 0 | 0 | 112.4 | E14 R15 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.44Å; E14-Q18 PolarHBondContact O-N 3.39Å; R15-Q18 PolarHBondContact O-N 3.37Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.03Å; Q18-F21 PolarHBondContact O-N 3.03Å; Q18-T22 PolarHBondContact O-N 2.98Å; Q18-T22 PolarHBondContact O-OG1 3.46Å |
| 19 | V | 97.3 | Very high | 97.6 | Very high | 75 Ų | 75 | 92 Ų | 92 | 46% | 0.455 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.3 | -39.4 | 174.8 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | R15 K23 | R15-V19 WeakPolarHBondContact O-CB 3.25Å; R15-V19 WeakPolarHBondContact O-CG2 3.4Å; R15-V19 PolarHBondContact O-N 2.97Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.36Å |
| 20 | T | 96.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 92.5 Ų | 92.5 | 22% | 0.221 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 177 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.74Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.32Å; N16-T20 PolarHBondContact O-OG1 3.1Å; R17-T20 PolarHBondContact O-N 2.81Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.03Å; T20-K23 PolarHBondContact O-N 3.08Å; T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.45Å; T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.39Å |
| 21 | F | 98.2 | Very high | 97.8 | Very high | 47 Ų | 47 | 90.8 Ų | 90.8 | 21% | 0.206 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.7 | -55.6 | 176.3 | 175.7 | -101.9 | 0 | 0 | 0 | 110.9 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.35Å; R17-F21 PolarHBondContact O-N 2.97Å; Q18-F21 PolarHBondContact O-N 3.03Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 3.16Å; F21-R24 PolarHBondContact O-N 2.94Å; F21-K25 HydrophobicContact CE1-CD 4.06Å; F21-K25 HydrophobicContact CZ-CD 4.02Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.21Å; F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; F21-N49 HydrophobicContact CE1-CB 4.35Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CZ 4.03Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CG 4.47Å |
| 22 | T | 97.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 89 Ų | 89 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -54.2 | -44.4 | 179 | -61.5 | 0 | 0 | 0 | 0 | 112 | Q18 F26 | Q18-T22 PolarHBondContact O-N 2.98Å; Q18-T22 PolarHBondContact O-OG1 3.46Å; T22-F26 PolarHBondContact O-N 3.45Å |
| 23 | K | 97.1 | Very high | 97.9 | Very high | 152 Ų | 152 | 88.6 Ų | 88.6 | 66% | 0.661 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -72.7 | -41.2 | -178.8 | -68.1 | 173.3 | 69.7 | 170 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.23Å; V19-K23 PolarHBondContact O-N 3.36Å; T20-K23 PolarHBondContact O-N 3.08Å; F21-K23 VanDerWaalsContact C-N 3.28Å; F21-K23 PolarHBondContact O-N 3.16Å; K23-G27 PolarHBondContact O-N 2.93Å |
| 24 | R | 98.2 | Very high | 98 | Very high | 140 Ų | 140 | 87.8 Ų | 87.8 | 53% | 0.528 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 177 | -75 | -169.5 | 176.2 | -153.7 | -0.7 | 111.8 | T20 F21 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.03Å; T20-R24 VanDerWaalsContact O-CB 3.32Å; T20-R24 WeakPolarHBondContact O-CB 3.45Å; T20-R24 WeakPolarHBondContact O-CG 3.39Å; T20-R24 PolarHBondContact O-N 3.39Å; F21-R24 PolarHBondContact O-N 2.94Å; R24-G27 PolarHBondContact O-N 2.98Å; R24-L28 WeakPolarHBondContact O-CB 3.4Å; R24-L28 PolarHBondContact O-N 3.45Å |
| 25 | K | 98.4 | Very high | 98 | Very high | 44 Ų | 44 | 87 Ų | 87 | 19% | 0.191 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 174.8 | -170.6 | -172 | 79.1 | 72 | 0 | 111.2 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.06Å; F21-K25 HydrophobicContact CZ-CD 4.02Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.21Å; K25-L28 PolarHBondContact O-N 3.17Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.07Å; K25-M29 WeakPolarHBondContact O-CB 3.5Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.49Å; K25-I47 HydrophobicContact CG-CD1 3.96Å; K25-F55 HydrophobicContact CD-CB 3.86Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.87Å |
| 26 | F | 98.5 | Very high | 98.1 | Very high | 147 Ų | 147 | 78 Ų | 78 | 65% | 0.645 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 176.7 | -175.1 | -97.8 | 0 | 0 | 0 | 112.4 | T22 L28 M29 K30 | T22-F26 PolarHBondContact O-N 3.45Å; F26-L28 PolarHBondContact O-N 3.12Å; F26-M29 PolarHBondContact O-N 3.35Å; F26-K30 PolarHBondContact O-N 2.93Å |
| 27 | G | 98.5 | Very high | 98.2 | Very high | 35 Ų | 35 | 78.2 Ų | 78.2 | 36% | 0.361 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K23 R24 K30 K31 | K23-G27 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 2.98Å; G27-K30 PolarHBondContact O-N 3.4Å; G27-K31 WeakPolarHBondContact O-CG 3.25Å; G27-K31 PolarHBondContact O-N 3.16Å; G27-K31 VanDerWaalsContact O-N 3.1Å |
| 28 | L | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 83 Ų | 83 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.1 | -44.5 | 176.9 | -177.4 | 61 | 0 | 0 | 0 | 111.6 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.4Å; R24-L28 PolarHBondContact O-N 3.45Å; K25-L28 PolarHBondContact O-N 3.17Å; F26-L28 PolarHBondContact O-N 3.12Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 2.83Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.08Å; L28-A32 PolarHBondContact O-N 3.48Å; L28-L45 HydrophobicContact CD2-CD1 4.2Å; L28-L45 HydrophobicContact CD2-CD2 3.96Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-I47 HydrophobicContact CD2-CD1 4.32Å |
| 29 | M | 98.5 | Very high | 98.2 | Very high | 24 Ų | 24 | 82.2 Ų | 82.2 | 12% | 0.118 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.3 | -40.7 | 174 | -71.8 | 167 | 166.7 | 0 | 0 | 111.8 | K25 F26 K31 A32 Y33 L45 Y57 | K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CD-SD 4.48Å; K25-M29 HydrophobicContact CG-CE 3.89Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.07Å; K25-M29 WeakPolarHBondContact O-CB 3.5Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.49Å; F26-M29 PolarHBondContact O-N 3.35Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.96Å; M29-A32 PolarHBondContact O-N 3.41Å; M29-Y33 PolarHBondContact O-N 2.92Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; M29-Y57 HydrophobicContact CG-CG 4.3Å |
| 30 | K | 98.6 | Very high | 98.3 | Very high | 108 Ų | 108 | 86.3 Ų | 86.3 | 47% | 0.47 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 173.6 | -166.3 | -174.9 | -172.3 | -57.6 | 0 | 112.2 | F26 G27 L28 E34 | F26-K30 PolarHBondContact O-N 2.93Å; G27-K30 PolarHBondContact O-N 3.4Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 2.83Å; K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 3.3Å |
| 31 | K | 98.6 | Very high | 98.3 | Very high | 133 Ų | 133 | 87.1 Ų | 87.1 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.9 | -37.5 | 176.6 | -68.9 | -144.1 | 135.7 | -61.8 | 0 | 113.3 | G27 L28 M29 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.25Å; G27-K31 PolarHBondContact O-N 3.16Å; G27-K31 VanDerWaalsContact O-N 3.1Å; L28-K31 PolarHBondContact O-N 3.43Å; L28-K31 VanDerWaalsContact O-N 3.08Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.96Å; K31-E34 IonicContact NZ-OE2 3.96Å; K31-E34 PolarHBondContact NZ-OE2 3.27Å; K31-E34 PolarHBondContact O-N 3.09Å; K31-L35 WeakPolarHBondContact O-CB 3.42Å; K31-L35 PolarHBondContact O-N 3.01Å |
| 32 | A | 98.6 | Very high | 98.2 | Very high | 12 Ų | 12 | 88 Ų | 88 | 10% | 0.099 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.48Å; M29-A32 PolarHBondContact O-N 3.41Å; A32-L35 PolarHBondContact O-N 3.27Å; A32-S36 WeakPolarHBondContact O-CB 3.22Å; A32-S36 PolarHBondContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 3.37Å; A32-I43 HydrophobicContact CB-CG2 4.17Å; A32-Y57 HydrophobicContact CB-CD1 3.91Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å |
| 33 | Y | 98.6 | Very high | 98.2 | Very high | 134 Ų | 134 | 86.1 Ų | 86.1 | 53% | 0.525 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.8 | -52.1 | 172.2 | 173.7 | -100.2 | 0 | 0 | 0 | 112.5 | M29 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 2.92Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.71Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 3.05Å; Y33-S36 PolarHBondContact O-OG 3.42Å; Y33-V37 HydrophobicContact CD2-CG2 4.1Å; Y33-V37 HydrophobicContact CE1-CG2 4.4Å; Y33-V37 HydrophobicContact CE2-CG2 3.67Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.72Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.43Å |
| 34 | E | 98.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 80.7 Ų | 80.7 | 27% | 0.266 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -51.4 | -48.3 | 176.1 | -76.7 | 163.7 | -178 | 0 | 0 | 111.6 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 2.61Å; K30-E34 PolarHBondContact NZ-OE1 3.16Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 VanDerWaalsContact O-CG 3.23Å; K30-E34 WeakPolarHBondContact O-CG 3.35Å; K30-E34 PolarHBondContact O-N 3.3Å; K31-E34 IonicContact NZ-OE2 3.96Å; K31-E34 PolarHBondContact NZ-OE2 3.27Å; K31-E34 PolarHBondContact O-N 3.09Å; E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CD1 3.48Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.07Å |
| 35 | L | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 75.8 Ų | 75.8 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 179.8 | -176.6 | 61 | 0 | 0 | 0 | 112.5 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.42Å; K31-L35 PolarHBondContact O-N 3.01Å; A32-L35 PolarHBondContact O-N 3.27Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 2.71Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.16Å; L35-L38 PolarHBondContact O-N 2.71Å; L35-C39 HydrophobicContact CD1-CB 4.38Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.44Å; L35-C39 VanDerWaalsContact O-N 3.1Å; L35-I43 HydrophobicContact CB-CD1 4.05Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.96Å |
| 36 | S | 98.1 | Very high | 98.3 | Very high | 10 Ų | 10 | 77.5 Ų | 77.5 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.7 | -38.3 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | A32 Y33 D40 C41 S59 | A32-S36 WeakPolarHBondContact O-CB 3.22Å; A32-S36 PolarHBondContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 3.37Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 3.05Å; Y33-S36 PolarHBondContact O-OG 3.42Å; S36-D40 VanDerWaalsContact O-CA 3.31Å; S36-D40 WeakPolarHBondContact O-CA 3.5Å; S36-D40 PolarHBondContact O-N 3Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.1Å; S36-C41 WeakPolarHBondContact CB-O 3.43Å; S36-C41 PolarHBondContact O-N 3.02Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å |
| 37 | V | 98.3 | Very high | 98.3 | Very high | 94 Ų | 94 | 71.9 Ų | 71.9 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -81.3 | -36.2 | -178.8 | 175.7 | 0 | 0 | 0 | 0 | 112.1 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.1Å; Y33-V37 HydrophobicContact CE1-CG2 4.4Å; Y33-V37 HydrophobicContact CE2-CG2 3.67Å; Y33-V37 WeakPolarHBondContact O-CG2 3.43Å; Y33-V37 PolarHBondContact O-N 2.72Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.16Å |
| 38 | L | 98.6 | Very high | 98.3 | Very high | 144 Ų | 144 | 76.5 Ų | 76.5 | 75% | 0.754 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -77.2 | -22.2 | -178.8 | -71 | 171.5 | 0 | 0 | 0 | 113.8 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.31Å; E34-L38 WeakPolarHBondContact O-CD1 3.48Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 2.71Å |
| 39 | C | 98.5 | Very high | 98.2 | Very high | 75 Ų | 75 | 73.5 Ų | 73.5 | 51% | 0.507 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | 12.5 | -173.8 | -58 | 0 | 0 | 0 | 0 | 113.9 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.38Å; L35-C39 WeakPolarHBondContact O-CB 3.25Å; L35-C39 PolarHBondContact O-N 3.44Å; L35-C39 VanDerWaalsContact O-N 3.1Å; C39-C41 PolarHBondContact O-N 3.36Å; C39-C41 PolarHBondContact O-SG 3.33Å |
| 40 | D | 97.7 | Very high | 98 | Very high | 161 Ų | 161 | 76 Ų | 76 | 86% | 0.861 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 52.6 | -176.5 | -160.8 | 24 | 0 | 0 | 0 | 113.4 | S36 | S36-D40 VanDerWaalsContact O-CA 3.31Å; S36-D40 WeakPolarHBondContact O-CA 3.5Å; S36-D40 PolarHBondContact O-N 3Å; S36-D40 VanDerWaalsContact O-N 3.16Å |
| 41 | C | 97.2 | Very high | 97.9 | Very high | 54 Ų | 54 | 75 Ų | 75 | 37% | 0.365 | 40% | 0.402 | S | S | . | . | | | trans | -111.9 | 128.5 | -170.8 | -75 | 0 | 0 | 0 | 0 | 112.8 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.1Å; S36-C41 WeakPolarHBondContact CB-O 3.43Å; S36-C41 PolarHBondContact O-N 3.02Å; C39-C41 PolarHBondContact O-N 3.36Å; C39-C41 PolarHBondContact O-SG 3.33Å; C41-I43 HydrophobicContact CB-CD1 4.3Å; C41-I43 HydrophobicContact CB-CG1 4.2Å; C41-I43 PolarHBondContact O-N 2.86Å; C41-S59 PolarHBondContact O-OG 3.12Å |
| 42 | E | 97.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 75.2 Ų | 75.2 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | | | trans | -75.5 | 119.4 | 167.9 | -65.2 | -169.9 | 118 | 0 | 0 | 110.1 | K64 V65 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.49Å; E42-K64 IonicContact OE1-NZ 2.84Å; E42-K64 PolarHBondContact OE1-NZ 3.31Å; E42-V65 HydrophobicContact CB-CG2 4.1Å; E42-K68 IonicContact OE2-NZ 3.71Å; E42-K68 PolarHBondContact OE2-NZ 3.46Å |
| 43 | I | 98 | Very high | 97.8 | Very high | 35 Ų | 35 | 81.1 Ų | 81.1 | 18% | 0.179 | 43% | 0.433 | C | S | . | . | | | trans | -131.6 | 124.6 | -175 | -59.9 | 177.4 | 0 | 0 | 0 | 109.2 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.17Å; L35-I43 HydrophobicContact CB-CD1 4.05Å; L35-I43 HydrophobicContact CD2-CD1 3.92Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.3Å; C41-I43 HydrophobicContact CB-CG1 4.2Å; C41-I43 PolarHBondContact O-N 2.86Å; I43-A58 CarbonylContact O-C 3.59Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.31Å; I43-S59 PolarHBondContact N-OG 3.07Å; I43-S59 PolarHBondContact O-N 3.25Å |
| 44 | A | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 78.6 Ų | 78.6 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 144.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y57 M62 V65 | A44-Y57 CarbonylContact C-O 3.51Å; A44-M62 HydrophobicContact CB-CE 4.16Å; A44-M62 HydrophobicContact CB-SD 3.93Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å |
| 45 | L | 98.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.188 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 118.9 | 179.4 | 174.8 | 63.2 | 0 | 0 | 0 | 109.6 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.2Å; L28-L45 HydrophobicContact CD2-CD2 3.96Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.21Å; L45-I47 HydrophobicContact CD1-CD1 4.36Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.3Å; L45-Y57 HydrophobicContact CB-CD1 4.36Å; L45-Y57 PolarHBondContact N-O 2.87Å; L45-Y57 PolarHBondContact O-N 3.33Å |
| 46 | I | 98.3 | Very high | 97.7 | Very high | 81 Ų | 81 | 79.4 Ų | 79.4 | 42% | 0.415 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.3 | 179.4 | -67 | 174 | 0 | 0 | 0 | 108.7 | F48 L54 M62 L66 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.37Å; I46-L66 HydrophobicContact CD1-CD2 4.26Å |
| 47 | I | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 81.2 Ų | 81.2 | 15% | 0.149 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 112.7 | -179.5 | -57.4 | 171.1 | 0 | 0 | 0 | 109.1 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.84Å; F21-I47 HydrophobicContact CZ-CG2 4.07Å; K25-I47 HydrophobicContact CG-CD1 3.96Å; L28-I47 HydrophobicContact CD2-CD1 4.32Å; L45-I47 HydrophobicContact CD1-CD1 4.36Å; L45-I47 HydrophobicContact CD1-CG1 4.16Å; L45-I47 HydrophobicContact CD2-CD1 4.13Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.18Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.39Å; I47-F55 PolarHBondContact O-N 3.29Å |
| 48 | F | 98.3 | Very high | 97.7 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 134 | 163.7 | -63.6 | -81.9 | 0 | 0 | 0 | 109.7 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.45Å; F48-L54 HydrophobicContact CE1-CB 3.92Å; F48-L54 HydrophobicContact CE1-CD1 3.96Å; F48-L54 HydrophobicContact CE1-CG 4.43Å; F48-L54 HydrophobicContact CE2-CD1 4.46Å; F48-L54 HydrophobicContact CZ-CD1 3.96Å |
| 49 | N | 96.3 | Very high | 97.7 | Very high | 27 Ų | 27 | 72.6 Ų | 72.6 | 14% | 0.144 | 39% | 0.391 | C | S | . | . | | | trans | -85.5 | 176.7 | 170.5 | 83.6 | -23.4 | 0 | 0 | 0 | 111.4 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.35Å; F21-N49 HydrophobicContact CE2-CB 4.26Å; F21-N49 HydrophobicContact CZ-CB 3.91Å; N49-T51 PolarHBondContact ND2-OG1 3.24Å; N49-T51 PolarHBondContact O-N 2.71Å; N49-T51 VanDerWaalsContact OD1-C 3.25Å; N49-T51 WeakPolarHBondContact OD1-CA 3.17Å; N49-T51 PolarHBondContact OD1-N 3.31Å; N49-T51 PolarHBondContact OD1-OG1 2.68Å; N49-N52 PolarHBondContact O-N 2.92Å; N49-N52 PolarHBondContact OD1-N 3.28Å; N49-K53 PolarHBondContact N-O 2.68Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.3Å; N49-K53 PolarHBondContact OD1-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.09Å |
| 50 | S | 95.2 | Very high | 97.6 | Very high | 77 Ų | 77 | 73.1 Ų | 73.1 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 6.6 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 51 | T | 96 | Very high | 97.5 | Very high | 86 Ų | 86 | 69.4 Ų | 69.4 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | 26.7 | 169.7 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 3.24Å; N49-T51 PolarHBondContact O-N 2.71Å; N49-T51 VanDerWaalsContact OD1-C 3.25Å; N49-T51 WeakPolarHBondContact OD1-CA 3.17Å; N49-T51 PolarHBondContact OD1-N 3.31Å; N49-T51 PolarHBondContact OD1-OG1 2.68Å; T51-K53 PolarHBondContact O-N 2.96Å |
| 52 | N | 96.4 | Very high | 97.6 | Very high | 138 Ų | 138 | 67.6 Ų | 67.6 | 74% | 0.738 | 36% | 0.359 | S | S | * | . | | | trans | 52.2 | 21.8 | 179.6 | -59.4 | -10.5 | 0 | 0 | 0 | 115.6 | N49 L54 | N49-N52 PolarHBondContact O-N 2.92Å; N49-N52 PolarHBondContact OD1-N 3.28Å; N52-L54 PolarHBondContact O-N 2.99Å |
| 53 | K | 97.8 | Very high | 97.5 | Very high | 135 Ų | 135 | 70.2 Ų | 70.2 | 59% | 0.587 | 38% | 0.375 | S | S | * | . | | | trans | -78.8 | 122.6 | 172.7 | -65.6 | -173.4 | 177.5 | -170.9 | 0 | 109 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 2.68Å; N49-K53 VanDerWaalsContact N-O 3.13Å; N49-K53 WeakPolarHBondContact OD1-CB 3.3Å; N49-K53 PolarHBondContact OD1-N 3.29Å; T51-K53 PolarHBondContact O-N 2.96Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.4Å; K53-F55 WeakPolarHBondContact O-CD2 3.41Å; K53-F55 WeakPolarHBondContact O-CE2 3.49Å |
| 54 | L | 98 | Very high | 97.5 | Very high | 82 Ų | 82 | 74 Ų | 74 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.1 | 173.8 | 176.4 | 58.7 | 0 | 0 | 0 | 110.8 | I46 F48 N52 Q56 | I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CD1-CD1 4.45Å; F48-L54 HydrophobicContact CE1-CB 3.92Å; F48-L54 HydrophobicContact CE1-CD1 3.96Å; F48-L54 HydrophobicContact CE1-CG 4.43Å; F48-L54 HydrophobicContact CE2-CD1 4.46Å; F48-L54 HydrophobicContact CZ-CD1 3.96Å; N52-L54 PolarHBondContact O-N 2.99Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å |
| 55 | F | 98.4 | Very high | 97.4 | Very high | 65 Ų | 65 | 73 Ų | 73 | 29% | 0.285 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125 | 163.1 | -57.6 | -94.4 | 0 | 0 | 0 | 107.6 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CE2 3.74Å; F21-F55 HydrophobicContact CE1-CZ 4.03Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CE2 3.81Å; F21-F55 HydrophobicContact CZ-CG 4.47Å; K25-F55 HydrophobicContact CD-CB 3.86Å; K25-F55 HydrophobicContact CD-CD1 3.97Å; K25-F55 HydrophobicContact CD-CG 3.87Å; I47-F55 HydrophobicContact CB-CB 4.45Å; I47-F55 PolarHBondContact N-O 3.39Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.09Å; K53-F55 HydrophobicContact CB-CE2 3.97Å; K53-F55 HydrophobicContact CB-CZ 4.4Å; K53-F55 WeakPolarHBondContact O-CD2 3.41Å; K53-F55 WeakPolarHBondContact O-CE2 3.49Å |
| 56 | Q | 98.1 | Very high | 97.3 | Very high | 103 Ų | 103 | 74.6 Ų | 74.6 | 48% | 0.481 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 162.4 | -176.5 | 81.8 | -163.6 | 49.8 | 0 | 0 | 112.4 | L45 L54 M62 | L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.3Å; L54-Q56 HydrophobicContact CD1-CB 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.81Å; Q56-M62 HydrophobicContact CG-CE 4.01Å |
| 57 | Y | 98.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 75.6 Ų | 75.6 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 138.4 | 170.4 | 165.9 | -96.2 | 0 | 0 | 0 | 109.2 | M29 A32 Y33 A44 L45 S59 M62 | M29-Y57 HydrophobicContact CG-CG 4.3Å; A32-Y57 HydrophobicContact CB-CD1 3.91Å; A32-Y57 HydrophobicContact CB-CE1 3.57Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.43Å; A44-Y57 CarbonylContact C-O 3.51Å; L45-Y57 HydrophobicContact CB-CD1 4.36Å; L45-Y57 PolarHBondContact N-O 2.87Å; L45-Y57 PolarHBondContact O-N 3.33Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å |
| 58 | A | 98.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 77.9 Ų | 77.9 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 150 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I43 M62 | I43-A58 CarbonylContact O-C 3.59Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.31Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.17Å |
| 59 | S | 97.6 | Very high | 96.9 | Very high | 34 Ų | 34 | 79.3 Ų | 79.3 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -74.3 | -28.7 | 167.8 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | S36 C41 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.46Å; C41-S59 PolarHBondContact O-OG 3.12Å; I43-S59 PolarHBondContact N-OG 3.07Å; I43-S59 PolarHBondContact O-N 3.25Å; Y57-S59 WeakPolarHBondContact OH-CA 3.41Å |
| 60 | T | 96.4 | Very high | 96.8 | Very high | 86 Ų | 86 | 82.8 Ų | 82.8 | 53% | 0.528 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -119.6 | -89.8 | 174.5 | 52.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 61 | D | 97 | Very high | 96.7 | Very high | 83 Ų | 83 | 85.3 Ų | 85.3 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | | | trans | -134.1 | 138.7 | -179.2 | -177 | -73.9 | 0 | 0 | 0 | 109.6 | D63 K64 V65 | D61-D63 PolarHBondContact OD1-N 3.45Å; D61-K64 HydrophobicContact CB-CB 3.88Å; D61-K64 PolarHBondContact OD1-N 2.83Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.98Å |
| 62 | M | 97.8 | Very high | 96.4 | Very high | 16 Ų | 16 | 88.8 Ų | 88.8 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -70.4 | -45.1 | -175.9 | -179.9 | 61.7 | 57.8 | 0 | 0 | 111.7 | A44 I46 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.16Å; A44-M62 HydrophobicContact CB-SD 3.93Å; I46-M62 HydrophobicContact CD1-SD 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.37Å; Q56-M62 HydrophobicContact CB-CE 3.81Å; Q56-M62 HydrophobicContact CG-CE 4.01Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.17Å; M62-K64 VanDerWaalsContact C-N 3.34Å; M62-V65 PolarHBondContact O-N 3.41Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.33Å; M62-L66 WeakPolarHBondContact O-CB 3.45Å; M62-L66 VanDerWaalsContact O-CG 3.3Å; M62-L66 WeakPolarHBondContact O-CG 3.28Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CG 3.97Å |
| 63 | D | 97 | Very high | 95.5 | Very high | 120 Ų | 120 | 90.4 Ų | 90.4 | 64% | 0.642 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -72.5 | -35.4 | -174.1 | -61.3 | -17.1 | 0 | 0 | 0 | 109.6 | D61 L66 L67 | D61-D63 PolarHBondContact OD1-N 3.45Å; D63-L66 PolarHBondContact O-N 3.2Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.28Å |
| 64 | K | 96.9 | Very high | 95 | Very high | 114 Ų | 114 | 91.8 Ų | 91.8 | 50% | 0.496 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -58.7 | -47.9 | 170.3 | -168.6 | -158.8 | 176.9 | -159.6 | 0 | 112.4 | E42 D61 M62 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.49Å; E42-K64 IonicContact OE1-NZ 2.84Å; E42-K64 PolarHBondContact OE1-NZ 3.31Å; D61-K64 HydrophobicContact CB-CB 3.88Å; D61-K64 PolarHBondContact OD1-N 2.83Å; M62-K64 VanDerWaalsContact C-N 3.34Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.25Å |
| 65 | V | 96.9 | Very high | 94.6 | Very high | 19 Ų | 19 | 91.2 Ų | 91.2 | 12% | 0.115 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -73.5 | -33 | -177.3 | 176.9 | 0 | 0 | 0 | 0 | 111.6 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.1Å; A44-V65 HydrophobicContact CB-CB 4.16Å; A44-V65 HydrophobicContact CB-CG1 3.59Å; D61-V65 VanDerWaalsContact O-CG2 3.31Å; D61-V65 WeakPolarHBondContact O-CG2 3.19Å; D61-V65 PolarHBondContact O-N 2.98Å; M62-V65 PolarHBondContact O-N 3.41Å; V65-Y69 WeakPolarHBondContact O-CB 3.39Å; V65-Y69 PolarHBondContact O-N 3.03Å |
| 66 | L | 96.5 | Very high | 94.2 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | 173.5 | -71 | 176 | 0 | 0 | 0 | 112.6 | I46 M62 D63 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.26Å; M62-L66 HydrophobicContact CG-CD1 3.8Å; M62-L66 HydrophobicContact CG-CG 4.33Å; M62-L66 WeakPolarHBondContact O-CB 3.45Å; M62-L66 VanDerWaalsContact O-CG 3.3Å; M62-L66 WeakPolarHBondContact O-CG 3.28Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.84Å; M62-L66 HydrophobicContact SD-CG 3.97Å; D63-L66 PolarHBondContact O-N 3.2Å; L66-Y69 WeakPolarHBondContact O-CB 3.23Å; L66-Y69 PolarHBondContact O-N 3.14Å; L66-T70 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-OG1 3.12Å |
| 67 | L | 96 | Very high | 94 | Very high | 103 Ų | 103 | 98.8 Ų | 98.8 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.2 | -50.7 | 173.3 | 177.6 | 61.7 | 0 | 0 | 0 | 110.4 | D63 Y69 T70 E71 | D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.29Å; D63-L67 PolarHBondContact O-N 3.28Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 PolarHBondContact O-N 3.49Å; L67-T70 PolarHBondContact O-OG1 3.24Å; L67-E71 WeakPolarHBondContact O-CG 3.38Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.16Å |
| 68 | K | 95 | Very high | 93.7 | Very high | 77 Ų | 77 | 100.5 Ų | 100.5 | 34% | 0.335 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -54.6 | -44.7 | 173.9 | -172.2 | -177.3 | -172 | -174 | 0 | 111.5 | E42 K64 T70 E71 Y72 | E42-K68 IonicContact OE2-NZ 3.71Å; E42-K68 PolarHBondContact OE2-NZ 3.46Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 3.25Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 2.91Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 2.68Å; K68-E71 VanDerWaalsContact O-N 3.07Å; K68-Y72 HydrophobicContact CG-CD2 4.32Å; K68-Y72 HydrophobicContact CG-CE2 3.87Å; K68-Y72 VanDerWaalsContact O-CD2 3.27Å; K68-Y72 WeakPolarHBondContact O-CD2 3.35Å; K68-Y72 PolarHBondContact O-N 3.17Å |
| 69 | Y | 95.1 | Very high | 93.6 | Very high | 160 Ų | 160 | 107.1 Ų | 107.1 | 63% | 0.627 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.2 | -38.2 | 175.9 | 174.4 | -95.7 | 0 | 0 | 0 | 112.6 | V65 L66 L67 E71 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.39Å; V65-Y69 PolarHBondContact O-N 3.03Å; L66-Y69 WeakPolarHBondContact O-CB 3.23Å; L66-Y69 PolarHBondContact O-N 3.14Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 2.86Å; Y69-Y72 PolarHBondContact O-N 3.04Å |
| 70 | T | 94.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 108.6 Ų | 108.6 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74 | -13 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 115 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-OG1 3.12Å; L67-T70 PolarHBondContact O-N 3.49Å; L67-T70 PolarHBondContact O-OG1 3.24Å; K68-T70 VanDerWaalsContact C-N 3.3Å; K68-T70 PolarHBondContact O-N 2.91Å |
| 71 | E | 93.4 | Very high | 93.6 | Very high | 130 Ų | 130 | 111.1 Ų | 111.1 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -84.3 | -18.7 | 174.1 | -67.2 | 167.5 | 176.4 | 0 | 0 | 112.7 | L67 K68 Y69 | L67-E71 WeakPolarHBondContact O-CG 3.38Å; L67-E71 PolarHBondContact O-N 3.15Å; L67-E71 VanDerWaalsContact O-N 3.16Å; K68-E71 WeakPolarHBondContact O-CB 3.45Å; K68-E71 PolarHBondContact O-N 2.68Å; K68-E71 VanDerWaalsContact O-N 3.07Å; Y69-E71 VanDerWaalsContact C-N 3.29Å; Y69-E71 PolarHBondContact O-N 2.86Å |
| 72 | Y | 89.8 | Confident | 93.5 | Very high | 159 Ų | 159 | 111 Ų | 111 | 62% | 0.624 | 55% | 0.552 | S | S | * | * | | | trans | -96.6 | 111.7 | 175.8 | -73.3 | -83 | 0 | 0 | 0 | 111.3 | K68 Y69 E74 | K68-Y72 HydrophobicContact CG-CD2 4.32Å; K68-Y72 HydrophobicContact CG-CE2 3.87Å; K68-Y72 VanDerWaalsContact O-CD2 3.27Å; K68-Y72 WeakPolarHBondContact O-CD2 3.35Å; K68-Y72 PolarHBondContact O-N 3.17Å; Y69-Y72 PolarHBondContact O-N 3.04Å; Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.36Å |
| 73 | N | 76.1 | Confident | 93.4 | Very high | 172 Ų | 172 | 112.6 Ų | 112.6 | 92% | 0.92 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -63.1 | -27 | -178.7 | -67.3 | -35.8 | 0 | 0 | 0 | 114.6 | | |
| 74 | E | 87.3 | Confident | 93.3 | Very high | 164 Ų | 164 | 111.1 Ų | 111.1 | 77% | 0.766 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -147.3 | 132.2 | -176.9 | -167.8 | 169.7 | -163 | 0 | 0 | 111.1 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.27Å; Y72-E74 PolarHBondContact O-N 3.36Å |
| 75 | P | 90.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 109.5 Ų | 109.5 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | | | trans | -78.7 | 133.2 | 178.3 | 31.4 | -34.6 | 0 | 0 | 0 | 111.8 | E77 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.1Å |
| 76 | H | 90.3 | Very high | 93 | Very high | 202 Ų | 202 | 114.1 Ų | 114.1 | 94% | 0.935 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -59.8 | -34.1 | 179.5 | -178.7 | 65.3 | 0 | 0 | 0 | 113.8 | | |
| 77 | E | 93.6 | Very high | 92.8 | Very high | 126 Ų | 126 | 113.7 Ų | 113.7 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -135.3 | 130.7 | 167.3 | -177.5 | 174.2 | -159.6 | 0 | 0 | 108.8 | P75 R79 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.1Å; E77-R79 HydrophobicContact CG-CG 4.16Å; E77-R79 IonicContact OE1-CZ 3.03Å; E77-R79 IonicContact OE1-NE 2.9Å; E77-R79 PolarHBondContact OE1-NE 3.16Å; E77-R79 IonicContact OE1-NH2 3.99Å; E77-R79 PolarHBondContact OE1-NH2 2.86Å |
| 78 | S | 93.1 | Very high | 92.6 | Very high | 84 Ų | 84 | 114 Ų | 114 | 59% | 0.587 | 58% | 0.58 | S | S | * | * | | | trans | -119.8 | 137.7 | 171.6 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 79 | R | 95.2 | Very high | 92.5 | Very high | 162 Ų | 162 | 114.7 Ų | 114.7 | 61% | 0.611 | 59% | 0.588 | S | S | * | * | | | trans | -139.3 | 135.6 | -179.1 | -66.1 | -64.3 | -177.7 | -167.4 | -6.1 | 111.5 | E77 | E77-R79 HydrophobicContact CG-CG 4.16Å; E77-R79 IonicContact OE1-CZ 3.03Å; E77-R79 IonicContact OE1-NE 2.9Å; E77-R79 PolarHBondContact OE1-NE 3.16Å; E77-R79 IonicContact OE1-NH2 3.99Å; E77-R79 PolarHBondContact OE1-NH2 2.86Å |
| 80 | T | 97 | Very high | 92.2 | Very high | 64 Ų | 64 | 113.1 Ų | 113.1 | 39% | 0.393 | 58% | 0.584 | S | S | . | * | | | trans | -117.2 | 172.3 | 179.2 | 69.5 | 0 | 0 | 0 | 0 | 110.5 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact OG1-OG 3.15Å; T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 2.77Å; T80-D83 PolarHBondContact O-N 2.98Å; T80-D83 PolarHBondContact OG1-OD1 3.45Å; T80-D83 PolarHBondContact OG1-OD2 3.24Å; T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.29Å |
| 81 | N | 96.2 | Very high | 91.7 | Very high | 139 Ų | 139 | 116.4 Ų | 116.4 | 74% | 0.743 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.2 | -30.2 | 177.9 | -71.3 | 8 | 0 | 0 | 0 | 112.9 | V85 | N81-V85 VanDerWaalsContact O-CG2 3.29Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.82Å; N81-V85 VanDerWaalsContact O-N 3.12Å |
| 82 | S | 95.9 | Very high | 90.9 | Very high | 80 Ų | 80 | 117.7 Ų | 117.7 | 56% | 0.559 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.3 | -50.7 | 175.4 | 11.9 | 0 | 0 | 0 | 0 | 111.4 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 3Å; T80-S82 PolarHBondContact OG1-OG 3.15Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 2.93Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact O-N 3.07Å; S82-E86 PolarHBondContact O-N 2.97Å |
| 83 | D | 95.2 | Very high | 89.5 | Confident | 51 Ų | 51 | 115.6 Ų | 115.6 | 27% | 0.273 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.4 | -36.4 | -176 | -37.4 | -41.8 | 0 | 0 | 0 | 111.2 | T80 A87 | T80-D83 WeakPolarHBondContact CA-OD2 3.5Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 2.77Å; T80-D83 PolarHBondContact O-N 2.98Å; T80-D83 PolarHBondContact OG1-OD1 3.45Å; T80-D83 PolarHBondContact OG1-OD2 3.24Å; D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.37Å; D83-A87 PolarHBondContact O-N 3.45Å |
| 84 | I | 94.9 | Very high | 88.7 | Confident | 89 Ų | 89 | 114.3 Ų | 114.3 | 46% | 0.456 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.4 | -39.7 | 175.3 | -64.2 | 167.1 | 0 | 0 | 0 | 111 | T80 S82 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.43Å; T80-I84 PolarHBondContact O-N 3.29Å; S82-I84 VanDerWaalsContact C-N 3.27Å; S82-I84 PolarHBondContact O-N 2.93Å; I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 VanDerWaalsContact O-CG 3.25Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 3.21Å; I84-L88 VanDerWaalsContact O-N 3.15Å |
| 85 | V | 94.6 | Very high | 87 | Confident | 79 Ų | 79 | 110 Ų | 110 | 48% | 0.479 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.4 | -42.9 | 176.4 | 168.5 | 0 | 0 | 0 | 0 | 111.2 | N81 S82 L88 N89 | N81-V85 VanDerWaalsContact O-CG2 3.29Å; N81-V85 WeakPolarHBondContact O-CG2 3.43Å; N81-V85 PolarHBondContact O-N 2.82Å; N81-V85 VanDerWaalsContact O-N 3.12Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-V85 VanDerWaalsContact O-N 3.07Å; V85-L88 PolarHBondContact O-N 2.89Å; V85-N89 VanDerWaalsContact O-CG 3.23Å; V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-OD1 3.32Å |
| 86 | E | 93.7 | Very high | 85.1 | Confident | 116 Ų | 116 | 111.1 Ų | 111.1 | 54% | 0.542 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.8 | -46.9 | 175.4 | -165.3 | -157.1 | 134.4 | 0 | 0 | 111.1 | S82 L88 N89 K90 | S82-E86 PolarHBondContact O-N 2.97Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.36Å; E86-N89 PolarHBondContact O-N 3.37Å; E86-K90 VanDerWaalsContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 IonicContact OE1-NZ 3.32Å |
| 87 | A | 92.1 | Very high | 83 | Confident | 60 Ų | 60 | 108.3 Ų | 108.3 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.2 | -32.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D83 K91 | D83-A87 VanDerWaalsContact O-CB 3.25Å; D83-A87 WeakPolarHBondContact O-CB 3.37Å; D83-A87 PolarHBondContact O-N 3.45Å; A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.23Å |
| 88 | L | 92.1 | Very high | 81.1 | Confident | 110 Ų | 110 | 106.7 Ų | 106.7 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.2 | -49.4 | 173 | -71.9 | 168.9 | 0 | 0 | 0 | 111.4 | I84 V85 E86 K90 K91 E92 | I84-L88 HydrophobicContact CG2-CD1 4.28Å; I84-L88 VanDerWaalsContact O-CG 3.25Å; I84-L88 WeakPolarHBondContact O-CG 3.32Å; I84-L88 PolarHBondContact O-N 3.21Å; I84-L88 VanDerWaalsContact O-N 3.15Å; V85-L88 PolarHBondContact O-N 2.89Å; E86-L88 VanDerWaalsContact C-N 3.26Å; E86-L88 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.19Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.12Å; L88-E92 PolarHBondContact O-N 3.05Å; L88-E92 VanDerWaalsContact O-N 3.14Å |
| 89 | N | 91.4 | Very high | 79.1 | Confident | 91 Ų | 91 | 108.5 Ų | 108.5 | 49% | 0.487 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.8 | -42.3 | -179.4 | -64.5 | -1.7 | 0 | 0 | 0 | 111.7 | V85 E86 K91 E92 N93 | V85-N89 VanDerWaalsContact O-CG 3.23Å; V85-N89 PolarHBondContact O-N 3.07Å; V85-N89 PolarHBondContact O-OD1 3.32Å; E86-N89 PolarHBondContact O-N 3.37Å; N89-K91 PolarHBondContact O-N 3.4Å; N89-E92 WeakPolarHBondContact O-CB 3.32Å; N89-E92 PolarHBondContact O-N 3.4Å; N89-N93 PolarHBondContact O-N 2.82Å; N89-N93 PolarHBondContact O-OD1 3.45Å |
| 90 | K | 90.3 | Very high | 76.5 | Confident | 127 Ų | 127 | 107.8 Ų | 107.8 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.3 | -26.9 | 176.4 | -168.1 | 170.9 | -166.7 | 162 | 0 | 112.8 | E86 L88 K94 | E86-K90 VanDerWaalsContact O-CB 3.23Å; E86-K90 WeakPolarHBondContact O-CB 3.49Å; E86-K90 PolarHBondContact O-N 2.87Å; E86-K90 IonicContact OE1-NZ 3.32Å; L88-K90 PolarHBondContact O-N 3.19Å; K90-K94 PolarHBondContact O-N 3.37Å |
| 91 | K | 83.8 | Confident | 74.3 | Confident | 170 Ų | 170 | 110.6 Ų | 110.6 | 74% | 0.739 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -81.1 | -24.3 | 173.2 | -172.4 | 167.4 | -177.4 | 168.9 | 0 | 112.9 | A87 L88 N89 | A87-K91 WeakPolarHBondContact O-CB 3.16Å; A87-K91 PolarHBondContact O-N 3.23Å; L88-K91 WeakPolarHBondContact O-CB 3.44Å; L88-K91 PolarHBondContact O-N 2.92Å; L88-K91 VanDerWaalsContact O-N 3.12Å; N89-K91 PolarHBondContact O-N 3.4Å |
| 92 | E | 76 | Confident | 71.8 | Confident | 156 Ų | 156 | 111.5 Ų | 111.5 | 73% | 0.729 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74.4 | -51.6 | 173.4 | -161.6 | 160 | 150.7 | 0 | 0 | 110.6 | L88 N89 K94 G95 | L88-E92 PolarHBondContact O-N 3.05Å; L88-E92 VanDerWaalsContact O-N 3.14Å; N89-E92 WeakPolarHBondContact O-CB 3.32Å; N89-E92 PolarHBondContact O-N 3.4Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.91Å; E92-G95 PolarHBondContact O-N 3.44Å |
| 93 | N | 60.3 | Low | 69.2 | Low | 116 Ų | 116 | 112.1 Ų | 112.1 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.1 | -31.8 | 178.9 | -75.9 | 51.3 | 0 | 0 | 0 | 114 | N89 G95 S96 | N89-N93 PolarHBondContact O-N 2.82Å; N89-N93 PolarHBondContact O-OD1 3.45Å; N93-G95 PolarHBondContact O-N 2.98Å; N93-G95 VanDerWaalsContact O-N 3.12Å; N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 3.1Å |
| 94 | K | 60.3 | Low | 66.7 | Low | 145 Ų | 145 | 115.4 Ų | 115.4 | 63% | 0.63 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -4.6 | 175.1 | -84.1 | -168.5 | 167.7 | -65 | 0 | 114.6 | K90 E92 E97 | K90-K94 PolarHBondContact O-N 3.37Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.91Å; K94-E97 IonicContact NZ-OE2 3.6Å |
| 95 | G | 51.7 | Low | 64.2 | Low | 72 Ų | 72 | 120.3 Ų | 120.3 | 74% | 0.742 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -6.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E92 N93 | E92-G95 PolarHBondContact O-N 3.44Å; N93-G95 PolarHBondContact O-N 2.98Å; N93-G95 VanDerWaalsContact O-N 3.12Å |
| 96 | S | 50.7 | Low | 61.9 | Low | 94 Ų | 94 | 121.2 Ų | 121.2 | 66% | 0.657 | 68% | 0.684 | S | S | * | * | | | trans | -143.3 | 29.9 | -171.2 | 65.8 | 0 | 0 | 0 | 0 | 114.1 | N93 S98 | N93-S96 PolarHBondContact O-N 3.46Å; N93-S96 PolarHBondContact O-OG 3.1Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact O-N 3.08Å; S96-S98 VanDerWaalsContact O-N 3.16Å |
| 97 | E | 45.3 | Very low | 59.4 | Low | 144 Ų | 144 | 121.3 Ų | 121.3 | 67% | 0.673 | 69% | 0.687 | S | S | * | * | | | trans | -87 | 70.3 | 174.2 | -164.1 | 170.8 | -176.1 | 0 | 0 | 110.1 | K94 | K94-E97 IonicContact NZ-OE2 3.6Š|
| 98 | S | 52.9 | Low | 57.5 | Low | 92 Ų | 92 | 123 Ų | 123 | 64% | 0.643 | 69% | 0.691 | S | S | * | * | | | trans | -73 | 129.7 | 157.7 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | S96 D100 | S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact O-N 3.08Å; S96-S98 VanDerWaalsContact O-N 3.16Å; S98-D100 PolarHBondContact O-N 2.9Å |
| 99 | P | 51.5 | Low | 55.6 | Low | 121 Ų | 121 | 123 Ų | 123 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | | | trans | -69.2 | 102.5 | -178.5 | -20.9 | 33.7 | 0 | 0 | 0 | 112.1 | | |
| 100 | D | 40.3 | Very low | 53.4 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | | | trans | -73.3 | 131.1 | 169.4 | -84.6 | -48.7 | 0 | 0 | 0 | 110.5 | S98 D102 | S98-D100 PolarHBondContact O-N 2.9Å; D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.09Å |
| 101 | P | 51.5 | Low | 51.7 | Low | 123 Ų | 123 | 125.5 Ų | 125.5 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -91.5 | 48.5 | -159.9 | 38 | -40 | 0 | 0 | 0 | 114.7 | | |
| 102 | D | 44.4 | Very low | 50.3 | Low | 159 Ų | 159 | 123.6 Ų | 123.6 | 85% | 0.85 | 70% | 0.696 | S | S | * | * | | | trans | -130.9 | 30.4 | -174 | -114.9 | -33.3 | 0 | 0 | 0 | 114.9 | D100 | D100-D102 PolarHBondContact O-N 3.41Å; D100-D102 VanDerWaalsContact O-N 3.09Å |
| 103 | S | 40.2 | Very low | 49.3 | Very low | 93 Ų | 93 | 123.5 Ų | 123.5 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | | | trans | -84.1 | 111.3 | 167.2 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | Y105 | S103-Y105 WeakPolarHBondContact O-CD2 3.35Å; S103-Y105 PolarHBondContact O-N 2.92Å |
| 104 | S | 43.8 | Very low | 49.1 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | | | trans | -67 | 94.2 | -178 | -175 | 0 | 0 | 0 | 0 | 112.5 | A106 | S104-A106 PolarHBondContact O-N 2.98Š|
| 105 | Y | 41.5 | Very low | 48.8 | Very low | 193 Ų | 193 | 125.5 Ų | 125.5 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | | | trans | -77 | 105.4 | 170.3 | -80.1 | -85.7 | 0 | 0 | 0 | 110.7 | S103 L107 | S103-Y105 WeakPolarHBondContact O-CD2 3.35Å; S103-Y105 PolarHBondContact O-N 2.92Å; Y105-L107 PolarHBondContact O-N 2.6Å |
| 106 | A | 45.6 | Very low | 49.4 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 69% | 0.686 | S | S | * | * | | | trans | -65.2 | 98.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.9 | S104 T108 | S104-A106 PolarHBondContact O-N 2.98Å; A106-T108 PolarHBondContact O-N 2.86Å |
| 107 | L | 42.9 | Very low | 49.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 62% | 0.618 | 69% | 0.687 | S | S | * | * | | | trans | -65.7 | 130.5 | -178.4 | -65.7 | 178 | 0 | 0 | 0 | 111 | Y105 | Y105-L107 PolarHBondContact O-N 2.6Š|
| 108 | T | 51.8 | Low | 50.8 | Low | 95 Ų | 95 | 128.5 Ų | 128.5 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | | | trans | -75 | 142.4 | 167.3 | 50.1 | 0 | 0 | 0 | 0 | 109.5 | A106 R110 T111 | A106-T108 PolarHBondContact O-N 2.86Å; T108-R110 PolarHBondContact O-N 2.98Å; T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact O-OG1 2.96Å |
| 109 | P | 52.1 | Low | 51.5 | Low | 109 Ų | 109 | 128.8 Ų | 128.8 | 71% | 0.708 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | -20.7 | -170.9 | -30.5 | 36.1 | 0 | 0 | 0 | 116.1 | T111 | P109-T111 PolarHBondContact O-N 2.98Š|
| 110 | R | 45.4 | Very low | 52.5 | Low | 226 Ų | 226 | 127.7 Ų | 127.7 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -8.8 | 179.8 | -157.4 | 178.7 | -177.2 | -165.8 | 0.6 | 114.4 | T108 | T108-R110 PolarHBondContact O-N 2.98Š|
| 111 | T | 53.5 | Low | 53.7 | Low | 45 Ų | 45 | 127.4 Ų | 127.4 | 28% | 0.276 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | -30.7 | 179.8 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | T108 P109 E113 K114 Y115 | T108-T111 PolarHBondContact O-N 3.49Å; T108-T111 VanDerWaalsContact O-N 3.08Å; T108-T111 PolarHBondContact O-OG1 2.96Å; P109-T111 PolarHBondContact O-N 2.98Å; T111-E113 PolarHBondContact O-N 3.16Å; T111-K114 WeakPolarHBondContact O-CB 3.24Å; T111-K114 PolarHBondContact O-N 2.84Å; T111-K114 VanDerWaalsContact O-N 3.08Å; T111-Y115 VanDerWaalsContact O-CD2 3.25Å; T111-Y115 WeakPolarHBondContact O-CD2 3.5Å; T111-Y115 PolarHBondContact O-N 3.49Å |
| 112 | E | 54.5 | Low | 54.4 | Low | 131 Ų | 131 | 127.1 Ų | 127.1 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.6 | -45 | -173.9 | -170.9 | 178.2 | 168.4 | 0 | 0 | 112.6 | K114 Y115 K116 | E112-K114 PolarHBondContact O-N 3.21Å; E112-Y115 PolarHBondContact O-N 2.99Å; E112-Y115 VanDerWaalsContact O-N 3.13Å; E112-K116 PolarHBondContact O-N 3.01Å |
| 113 | E | 55.9 | Low | 55.7 | Low | 153 Ų | 153 | 123.8 Ų | 123.8 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -56 | -34.7 | 176.9 | -59.8 | -178.9 | 148.4 | 0 | 0 | 112.7 | T111 K117 | T111-E113 PolarHBondContact O-N 3.16Å; E113-K117 WeakPolarHBondContact O-CB 3.19Å; E113-K117 PolarHBondContact O-N 2.8Å |
| 114 | K | 54.8 | Low | 57 | Low | 151 Ų | 151 | 124.4 Ų | 124.4 | 66% | 0.657 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73 | -39.2 | -179.9 | -166.4 | -179.5 | 179.9 | -173.9 | 0 | 111.5 | T111 E112 I118 | T111-K114 WeakPolarHBondContact O-CB 3.24Å; T111-K114 PolarHBondContact O-N 2.84Å; T111-K114 VanDerWaalsContact O-N 3.08Å; E112-K114 PolarHBondContact O-N 3.21Å; K114-I118 WeakPolarHBondContact O-CD1 3.3Å; K114-I118 WeakPolarHBondContact O-CG1 3.49Å; K114-I118 PolarHBondContact O-N 2.82Å |
| 115 | Y | 53.7 | Low | 58 | Low | 153 Ų | 153 | 123.5 Ų | 123.5 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73 | -41.6 | 176.5 | -70.6 | -72.4 | 0 | 0 | 0 | 112.2 | T111 E112 K117 I118 N119 | T111-Y115 VanDerWaalsContact O-CD2 3.25Å; T111-Y115 WeakPolarHBondContact O-CD2 3.5Å; T111-Y115 PolarHBondContact O-N 3.49Å; E112-Y115 PolarHBondContact O-N 2.99Å; E112-Y115 VanDerWaalsContact O-N 3.13Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.27Å; Y115-I118 PolarHBondContact O-N 3.1Å; Y115-I118 VanDerWaalsContact O-N 3.16Å; Y115-N119 PolarHBondContact O-N 3.13Å |
| 116 | K | 64.6 | Low | 59.1 | Low | 125 Ų | 125 | 119.3 Ų | 119.3 | 54% | 0.543 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.9 | -40.7 | 177.4 | -169 | 172 | -174.7 | -68.5 | 0 | 112 | E112 N119 E120 | E112-K116 PolarHBondContact O-N 3.01Å; K116-N119 PolarHBondContact O-N 3.37Å; K116-E120 IonicContact NZ-OE1 2.62Å; K116-E120 PolarHBondContact NZ-OE1 3.24Å; K116-E120 PolarHBondContact O-N 2.77Å; K116-E120 VanDerWaalsContact O-N 3.1Å |
| 117 | K | 61.6 | Low | 59.9 | Low | 155 Ų | 155 | 123.4 Ų | 123.4 | 67% | 0.674 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.9 | -38 | 176.7 | -166.4 | 173.8 | -176.3 | -179.4 | 0 | 113.2 | E113 Y115 E121 | E113-K117 WeakPolarHBondContact O-CB 3.19Å; E113-K117 PolarHBondContact O-N 2.8Å; Y115-K117 VanDerWaalsContact C-N 3.29Å; Y115-K117 PolarHBondContact O-N 3.27Å; K117-E121 PolarHBondContact O-N 3.37Å; K117-E121 VanDerWaalsContact O-N 3.17Å |
| 118 | I | 65 | Low | 60.5 | Low | 93 Ų | 93 | 121.5 Ų | 121.5 | 48% | 0.477 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | 175.8 | -67 | 165.4 | 0 | 0 | 0 | 110.9 | K114 Y115 E121 F122 | K114-I118 WeakPolarHBondContact O-CD1 3.3Å; K114-I118 WeakPolarHBondContact O-CG1 3.49Å; K114-I118 PolarHBondContact O-N 2.82Å; Y115-I118 PolarHBondContact O-N 3.1Å; Y115-I118 VanDerWaalsContact O-N 3.16Å; I118-E121 PolarHBondContact O-N 3.25Å; I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.25Å |
| 119 | N | 67.4 | Low | 60.8 | Low | 97 Ų | 97 | 123 Ų | 123 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -44.4 | 177.5 | -161.7 | 104.3 | 0 | 0 | 0 | 111.9 | Y115 K116 E121 F122 D123 | Y115-N119 PolarHBondContact O-N 3.13Å; K116-N119 PolarHBondContact O-N 3.37Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 2.83Å; N119-F122 PolarHBondContact O-N 2.9Å; N119-D123 PolarHBondContact ND2-OD2 2.83Å; N119-D123 PolarHBondContact O-N 2.84Å |
| 120 | E | 71.9 | Confident | 60.6 | Low | 99 Ų | 99 | 128 Ų | 128 | 46% | 0.463 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.9 | -30.6 | 176.5 | -72.5 | 173.8 | -166.5 | 0 | 0 | 112.6 | K116 N124 | K116-E120 IonicContact NZ-OE1 2.62Å; K116-E120 PolarHBondContact NZ-OE1 3.24Å; K116-E120 PolarHBondContact O-N 2.77Å; K116-E120 VanDerWaalsContact O-N 3.1Å; E120-N124 PolarHBondContact O-N 3.41Å; E120-N124 PolarHBondContact O-ND2 3.21Å |
| 121 | E | 65.4 | Low | 60.9 | Low | 140 Ų | 140 | 124.6 Ų | 124.6 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.8 | -42.4 | 172.5 | -171.8 | 164.5 | -148.3 | 0 | 0 | 111.8 | K117 I118 N119 N124 M125 | K117-E121 PolarHBondContact O-N 3.37Å; K117-E121 VanDerWaalsContact O-N 3.17Å; I118-E121 PolarHBondContact O-N 3.25Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 2.83Å; E121-N124 PolarHBondContact O-N 3.07Å; E121-M125 PolarHBondContact O-N 2.61Å |
| 122 | F | 67.3 | Low | 60.3 | Low | 117 Ų | 117 | 128 Ų | 128 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.9 | -41.4 | 178.9 | -164.3 | -98.6 | 0 | 0 | 0 | 113.2 | I118 N119 N124 M125 I126 | I118-F122 WeakPolarHBondContact O-CB 3.43Å; I118-F122 PolarHBondContact O-N 3.25Å; N119-F122 PolarHBondContact O-N 2.9Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 3.22Å; F122-M125 HydrophobicContact CD2-CE 3.41Å; F122-M125 VanDerWaalsContact CD2-CE 3.41Å; F122-M125 HydrophobicContact CE2-CE 3.59Å; F122-M125 HydrophobicContact CG-CE 4.32Å; F122-M125 WeakPolarHBondContact O-CB 3.5Å; F122-M125 PolarHBondContact O-N 2.98Å; F122-M125 VanDerWaalsContact O-N 3.17Å; F122-I126 HydrophobicContact CD1-CD1 3.99Å; F122-I126 HydrophobicContact CE1-CD1 3.47Å; F122-I126 VanDerWaalsContact CE1-CD1 3.47Å; F122-I126 HydrophobicContact CE1-CG1 4.2Å; F122-I126 HydrophobicContact CZ-CD1 4.2Å; F122-I126 PolarHBondContact O-N 2.71Å |
| 123 | D | 70.8 | Confident | 59.9 | Low | 90 Ų | 90 | 126.7 Ų | 126.7 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -60.5 | -42.2 | 174.2 | -91 | -49 | 0 | 0 | 0 | 111.7 | N119 M125 I126 K127 | N119-D123 PolarHBondContact ND2-OD2 2.83Å; N119-D123 PolarHBondContact O-N 2.84Å; D123-M125 VanDerWaalsContact C-N 3.31Å; D123-M125 PolarHBondContact O-N 3.24Å; D123-I126 PolarHBondContact O-N 2.84Å; D123-K127 WeakPolarHBondContact O-CB 3.34Å; D123-K127 PolarHBondContact O-N 3.34Å |
| 124 | N | 67.6 | Low | 59 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 57% | 0.567 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.6 | -31.6 | 176 | -77.6 | -48.3 | 0 | 0 | 0 | 112.7 | E120 E121 F122 S128 | E120-N124 PolarHBondContact O-N 3.41Å; E120-N124 PolarHBondContact O-ND2 3.21Å; E121-N124 PolarHBondContact O-N 3.07Å; F122-N124 VanDerWaalsContact C-N 3.34Å; F122-N124 PolarHBondContact O-N 3.22Å; N124-S128 PolarHBondContact O-N 3.49Å; N124-S128 PolarHBondContact O-OG 2.97Å |
| 125 | M | 63.8 | Low | 58.6 | Low | 100 Ų | 100 | 124 Ų | 124 | 49% | 0.493 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.7 | -42.5 | 173.9 | -177 | 172.9 | 54.9 | 0 | 0 | 112.5 | E121 F122 D123 S128 H129 | E121-M125 PolarHBondContact O-N 2.61Å; F122-M125 HydrophobicContact CD2-CE 3.41Å; F122-M125 VanDerWaalsContact CD2-CE 3.41Å; F122-M125 HydrophobicContact CE2-CE 3.59Å; F122-M125 HydrophobicContact CG-CE 4.32Å; F122-M125 WeakPolarHBondContact O-CB 3.5Å; F122-M125 PolarHBondContact O-N 2.98Å; F122-M125 VanDerWaalsContact O-N 3.17Å; D123-M125 VanDerWaalsContact C-N 3.31Å; D123-M125 PolarHBondContact O-N 3.24Å; M125-S128 PolarHBondContact O-N 2.82Å; M125-S128 PolarHBondContact O-OG 3.48Å; M125-H129 PolarHBondContact O-ND1 3.03Å |
| 126 | I | 65.1 | Low | 58.2 | Low | 105 Ų | 105 | 122 Ų | 122 | 54% | 0.538 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -65.4 | -42.9 | 174 | -76.8 | -177.9 | 0 | 0 | 0 | 110.9 | F122 D123 S128 H129 | F122-I126 HydrophobicContact CD1-CD1 3.99Å; F122-I126 HydrophobicContact CE1-CD1 3.47Å; F122-I126 VanDerWaalsContact CE1-CD1 3.47Å; F122-I126 HydrophobicContact CE1-CG1 4.2Å; F122-I126 HydrophobicContact CZ-CD1 4.2Å; F122-I126 PolarHBondContact O-N 2.71Å; D123-I126 PolarHBondContact O-N 2.84Å; I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.16Å |
| 127 | K | 63.4 | Low | 57.2 | Low | 183 Ų | 183 | 122.1 Ų | 122.1 | 80% | 0.796 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.1 | -16.8 | -177.3 | -158.9 | 170.5 | -168.2 | 171.7 | 0 | 114 | D123 | D123-K127 WeakPolarHBondContact O-CB 3.34Å; D123-K127 PolarHBondContact O-N 3.34Å |
| 128 | S | 55.7 | Low | 56.3 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 55% | 0.552 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -95.9 | -14.7 | 177.2 | 43.5 | 0 | 0 | 0 | 0 | 114.6 | N124 M125 I126 | N124-S128 PolarHBondContact O-N 3.49Å; N124-S128 PolarHBondContact O-OG 2.97Å; M125-S128 PolarHBondContact O-N 2.82Å; M125-S128 PolarHBondContact O-OG 3.48Å; I126-S128 PolarHBondContact O-N 2.72Å; I126-S128 VanDerWaalsContact O-N 3.12Å |
| 129 | H | 57.4 | Low | 54.9 | Low | 127 Ų | 127 | 127.8 Ų | 127.8 | 59% | 0.588 | 68% | 0.683 | S | S | * | * | | | trans | -118.4 | 94.4 | -171.5 | -68.8 | 85 | 0 | 0 | 0 | 113.4 | M125 I126 I131 | M125-H129 PolarHBondContact O-ND1 3.03Å; I126-H129 PolarHBondContact O-N 3.3Å; I126-H129 VanDerWaalsContact O-N 3.16Å; H129-I131 PolarHBondContact O-N 3.05Å |
| 130 | K | 47.3 | Very low | 53.4 | Low | 212 Ų | 212 | 131.9 Ų | 131.9 | 92% | 0.922 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 119 | 167 | -76.5 | -173.9 | 175.3 | -178.1 | 0 | 110.7 | | |
| 131 | I | 51.4 | Low | 51.8 | Low | 156 Ų | 156 | 135.2 Ų | 135.2 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 128.7 | 178.5 | -57.3 | 171.8 | 0 | 0 | 0 | 110.7 | H129 | H129-I131 PolarHBondContact O-N 3.05Š|
| 132 | P | 42.5 | Very low | 50.9 | Low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 136.9 | 159.5 | -7.4 | 26.3 | 0 | 0 | 0 | 110.9 | | |
| 133 | A | 45.7 | Very low | 49.7 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -91 | 156.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 134 | V | 37.3 | Very low | 48.1 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | trans | -137.5 | 136.4 | 171.5 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 135 | P | 46.2 | Very low | 46.7 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 161.8 | -170.6 | 34.5 | -37 | 0 | 0 | 0 | 114.8 | | |
| 136 | P | 45.3 | Very low | 45.3 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 153 | 179.1 | 33.6 | -36 | 0 | 0 | 0 | 113.7 | | |
| 137 | P | 44.1 | Very low | 43.9 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.4 | 174.3 | 33 | -34.7 | 0 | 0 | 0 | 112.5 | | |
| 138 | N | 41.7 | Very low | 42.5 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 134.7 | 172.9 | -76 | -112.7 | 0 | 0 | 0 | 110.3 | | |
| 139 | F | 36.2 | Very low | 41.3 | Very low | 219 Ų | 219 | 136.6 Ų | 136.6 | 96% | 0.961 | 78% | 0.78 | S | S | * | * | | | trans | -154.9 | 133.8 | 145.3 | -92.7 | -65.4 | 0 | 0 | 0 | 109.8 | | |
| 140 | E | 34.4 | Very low | 40.1 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -119.2 | 140.6 | -175.2 | -172.8 | 175.4 | -144.7 | 0 | 0 | 109.8 | | |
| 141 | M | 39 | Very low | 39.3 | Very low | 168 Ų | 168 | 136 Ų | 136 | 83% | 0.828 | 79% | 0.786 | S | S | * | * | | | trans | -129.6 | 102.2 | -177.9 | -84.9 | -75.4 | -72.4 | 0 | 0 | 109.8 | V143 | M141-V143 PolarHBondContact O-N 3.46Š|
| 142 | P | 46.3 | Very low | 38.4 | Very low | 115 Ų | 115 | 133.7 Ų | 133.7 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | | | trans | -76.9 | 119.4 | -176.2 | 29.1 | -33.6 | 0 | 0 | 0 | 111.8 | | |
| 143 | V | 42.3 | Very low | 38.1 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -115.2 | 100.8 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | M141 I145 | M141-V143 PolarHBondContact O-N 3.46Å; V143-I145 HydrophobicContact CG1-CG1 4.4Å |
| 144 | T | 37.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -83.3 | 117 | -179.4 | -47.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 145 | I | 36.9 | Very low | 37 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | trans | -109.8 | 123.3 | 172.9 | -56.9 | 178.1 | 0 | 0 | 0 | 109.1 | V143 V147 | V143-I145 HydrophobicContact CG1-CG1 4.4Å; I145-V147 PolarHBondContact O-N 3.22Å |
| 146 | P | 35.4 | Very low | 36.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | trans | -77.2 | 122.2 | 174.8 | 30.5 | -32.5 | 0 | 0 | 0 | 111 | | |
| 147 | V | 35.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 143 Ų | 143 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | | | trans | -97.5 | 119.5 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 110.1 | I145 | I145-V147 PolarHBondContact O-N 3.22Š|
| 148 | S | 33.1 | Very low | 35.9 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -101.2 | 95.9 | 168.5 | 40.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 149 | S | 31.4 | Very low | 35.4 | Very low | 93 Ų | 93 | 142.9 Ų | 142.9 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | | | trans | -96.3 | 120.2 | -171.7 | 47 | 0 | 0 | 0 | 0 | 113.5 | | |
| 150 | H | 31.9 | Very low | 35.1 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | | | trans | -140.7 | 148.1 | 170.6 | -57.7 | -58.8 | 0 | 0 | 0 | 111.2 | | |
| 151 | N | 30.4 | Very low | 34.9 | Very low | 156 Ų | 156 | 134.6 Ų | 134.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | 60.2 | 89.9 | 178.1 | -73.3 | 8.2 | 0 | 0 | 0 | 117.9 | | |
| 152 | S | 32.8 | Very low | 34.7 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 137.8 | 135.9 | 51.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 153 | L | 35 | Very low | 34.1 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 121.2 | 173.7 | -76.5 | 166.2 | 0 | 0 | 0 | 108.9 | | |
| 154 | V | 30.9 | Very low | 33.8 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 125.2 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 155 | Y | 30.6 | Very low | 34.4 | Very low | 217 Ų | 217 | 133.2 Ų | 133.2 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 124 | 174.7 | -160.9 | -87.2 | 0 | 0 | 0 | 109.2 | | |
| 156 | S | 31 | Very low | 34.1 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 130.6 | -172.8 | -57.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 157 | N | 30.8 | Very low | 34 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -132.6 | 142.3 | 161.5 | -109.9 | -11.7 | 0 | 0 | 0 | 109.2 | | |
| 158 | P | 49.9 | Very low | 34.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | | | trans | -95.9 | 140 | -168.4 | 35.4 | -33.9 | 0 | 0 | 0 | 114 | | |
| 159 | V | 31.3 | Very low | 35.2 | Very low | 146 Ų | 146 | 138 Ų | 138 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | | | trans | -149.8 | 148 | 155.3 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 160 | S | 29.6 | Very low | 35.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | | | trans | -68.9 | 150.3 | -169.4 | -38.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 161 | S | 31.5 | Very low | 35.1 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | | -170.2 | 158.6 | 118.4 | -156.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 162 | L | 34.5 | Very low | 35.5 | Very low | 173 Ų | 173 | 139 Ų | 139 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | -64.5 | 161.2 | -173.4 | -57.9 | 107.5 | 0 | 0 | 0 | 116.1 | | |
| 163 | G | 33 | Very low | 36.3 | Very low | 74 Ų | 74 | 139.3 Ų | 139.3 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | -163.4 | -12.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 164 | N | 36.4 | Very low | 36.1 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | 66.7 | 164.9 | 178.1 | -110.2 | 11.8 | 0 | 0 | 0 | 118.8 | | |
| 165 | P | 49.8 | Very low | 36.5 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 60% | 0.597 | 80% | 0.804 | S | S | * | * | | | trans | -124.2 | -173.5 | -165.2 | 44.8 | -32.9 | 0 | 0 | 0 | 116.9 | | |
| 166 | N | 32 | Very low | 36.7 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | 81.4 | 145.9 | 175.1 | -51.8 | -32.9 | 0 | 0 | 0 | 114.7 | | |
| 167 | L | 33.3 | Very low | 36.8 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | cis | -133.1 | 172.9 | 21.2 | -72.3 | 159.8 | 0 | 0 | 0 | 113.8 | | |
| 168 | L | 39.9 | Very low | 36.9 | Very low | 168 Ų | 168 | 141.5 Ų | 141.5 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | trans | -117.3 | -158.4 | 169.8 | -63 | 172.4 | 0 | 0 | 0 | 110.6 | | |
| 169 | P | 52.6 | Low | 36.1 | Very low | 112 Ų | 112 | 139.9 Ų | 139.9 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | | -128.7 | 164.4 | -99.8 | 40.3 | -23 | 0 | 0 | 0 | 116 | | |
| 170 | L | 30.8 | Very low | 36.2 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | | | trans | -164.5 | 136.2 | 167.1 | -126.8 | 58.2 | 0 | 0 | 0 | 106.7 | | |
| 171 | A | 31 | Very low | 36.4 | Very low | 81 Ų | 81 | 141.7 Ų | 141.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | cis | 121.7 | 113.5 | 17 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 172 | H | 39 | Very low | 37.3 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | 14 | 150.1 | 146.2 | -61.4 | -53.9 | 0 | 0 | 0 | 121.2 | | |
| 173 | P | 48.5 | Very low | 37.2 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | -158 | 163.9 | 54.4 | 45.3 | -24 | 0 | 0 | 0 | 122.3 | | |
| 174 | S | 31.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 141 Ų | 141 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | | | trans | 37.3 | 132.9 | 141.4 | 68.9 | 0 | 0 | 0 | 0 | 124.5 | | |
| 175 | L | 38.6 | Very low | 37 | Very low | 182 Ų | 182 | 139.7 Ų | 139.7 | 95% | 0.953 | 80% | 0.798 | S | S | * | * | | | | -135.5 | 153.9 | 119.7 | -84.4 | -177.4 | 0 | 0 | 0 | 110.1 | | |
| 176 | Q | 36.1 | Very low | 36.3 | Very low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | | | trans | -123.6 | 153.5 | -178.7 | -73.7 | -170.1 | -9.9 | 0 | 0 | 112.6 | | |
| 177 | R | 32 | Very low | 36.5 | Very low | 235 Ų | 235 | 147.3 Ų | 147.3 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -156.2 | 118.4 | 137.9 | -171.3 | 164.9 | -86.3 | -132.5 | -1.2 | 112.7 | | |
| 178 | N | 33.9 | Very low | 36.9 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | | | trans | 13.9 | 154.7 | 145.2 | -60.1 | 23.6 | 0 | 0 | 0 | 122.1 | | |
| 179 | S | 32.1 | Very low | 37 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | cis | 176.6 | 154.8 | -22.1 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 180 | M | 32.8 | Very low | 36.2 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | | | trans | 80.4 | 152.1 | 158.7 | -56.2 | -159.8 | 167.7 | 0 | 0 | 120.8 | | |
| 181 | S | 34.5 | Very low | 36.5 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -132.7 | -167 | 175.9 | -38.2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 182 | P | 51.5 | Low | 36.6 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | | | cis | -134.4 | -171.6 | 9.4 | 43.8 | -25.3 | 0 | 0 | 0 | 114.8 | | |
| 183 | G | 30.5 | Very low | 36.5 | Very low | 77 Ų | 77 | 135.9 Ų | 135.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | | | trans | 166.7 | 124.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 184 | V | 35.5 | Very low | 36 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | -101.1 | 138.9 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 185 | T | 31.6 | Very low | 36.1 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | | | trans | 178.8 | 165.7 | 136.7 | 23.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 186 | H | 33.8 | Very low | 35.8 | Very low | 182 Ų | 182 | 130.4 Ų | 130.4 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -111.8 | 140.5 | -176 | -87.7 | -113.9 | 0 | 0 | 0 | 113.6 | | |
| 187 | R | 36.5 | Very low | 35.8 | Very low | 216 Ų | 216 | 129.2 Ų | 129.2 | 82% | 0.815 | 79% | 0.788 | S | S | * | * | | | trans | 64.3 | 154.3 | 155 | -124.9 | -174.4 | 177 | -162.7 | -0.1 | 116.6 | | |
| 188 | P | 41.6 | Very low | 36 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | | | | -146.7 | 175 | 79.5 | 40.9 | -24.6 | 0 | 0 | 0 | 115.3 | | |
| 189 | P | 42.9 | Very low | 36 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 58% | 0.584 | 79% | 0.79 | S | S | * | * | | | trans | -114.3 | 122.5 | 155.8 | 34.8 | -22 | 0 | 0 | 0 | 112 | | |
| 190 | S | 34.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -87.3 | 156.4 | 165.6 | -61.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 191 | A | 38.4 | Very low | 35.9 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | cis | -161.6 | 166.3 | -12.9 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 192 | G | 32.3 | Very low | 35.9 | Very low | 63 Ų | 63 | 123.1 Ų | 123.1 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | cis | 163.9 | -175.7 | -3.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 193 | N | 37.4 | Very low | 34.9 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | | | trans | 67.1 | 141.7 | 162.6 | -73.9 | 25.4 | 0 | 0 | 0 | 119.2 | | |
| 194 | T | 37.6 | Very low | 35 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | | | cis | -160.4 | 139.8 | -10.4 | 7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 195 | G | 33.6 | Very low | 34.7 | Very low | 84 Ų | 84 | 123.2 Ų | 123.2 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | 73.3 | 143.7 | 151.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 196 | G | 32.8 | Very low | 34.7 | Very low | 67 Ų | 67 | 121.8 Ų | 121.8 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | cis | 174.5 | 129.9 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 197 | L | 35.4 | Very low | 34.6 | Very low | 153 Ų | 153 | 117 Ų | 117 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | | | trans | 71.8 | 127.1 | 144.8 | -54.6 | 176.7 | 0 | 0 | 0 | 120.6 | | |
| 198 | M | 37.4 | Very low | 34.4 | Very low | 175 Ų | 175 | 113.2 Ų | 113.2 | 86% | 0.862 | 80% | 0.798 | S | S | * | * | | | trans | 65.8 | 145.5 | 164.1 | -32.7 | -44.9 | -178.1 | 0 | 0 | 116.7 | | |
| 199 | G | 32.6 | Very low | 33.9 | Very low | 76 Ų | 76 | 113.6 Ų | 113.6 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | cis | 152.2 | 146.5 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 200 | G | 34.1 | Very low | 33.4 | Very low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | | | trans | 95.5 | 98.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 201 | D | 29.2 | Very low | 33.1 | Very low | 152 Ų | 152 | 112.4 Ų | 112.4 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | | | | 36.2 | 131.7 | 125.2 | -62.7 | -47.2 | 0 | 0 | 0 | 124 | | |
| 202 | L | 35 | Very low | 32.8 | Very low | 156 Ų | 156 | 115.9 Ų | 115.9 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | | | trans | 78.6 | 158.2 | 140.5 | -69.2 | 168.4 | 0 | 0 | 0 | 122.4 | | |
| 203 | T | 30.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 115.9 Ų | 115.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | | | trans | 92.7 | 145.7 | 161.1 | 73.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 204 | S | 31.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | | | trans | -90.1 | 153.3 | -179 | -48.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 205 | G | 29.2 | Very low | 32.2 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | | | trans | -168.2 | 107.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 206 | A | 32.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 121 Ų | 121 | 94% | 0.942 | 83% | 0.825 | S | S | * | * | | | trans | -89.6 | 132.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 207 | G | 30.2 | Very low | 33.2 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | | | trans | -160.5 | 112 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 208 | T | 32.5 | Very low | 33 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 83% | 0.83 | S | S | * | * | | | trans | -93 | 136.8 | 169.6 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 209 | S | 31.2 | Very low | 32.7 | Very low | 126 Ų | 126 | 126.1 Ų | 126.1 | 88% | 0.881 | 83% | 0.829 | S | S | * | * | | | trans | 174 | 159.1 | 132.4 | 42.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 210 | A | 32.3 | Very low | 32.8 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | | | trans | -71.1 | 165.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 211 | G | 29.5 | Very low | 33.7 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 84% | 0.835 | S | S | * | * | | | trans | 174.8 | 102.4 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 212 | N | 31.9 | Very low | 33.9 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 92% | 0.92 | 83% | 0.83 | S | S | * | * | | | trans | -63.1 | 165.7 | 168.5 | -63.4 | -5.1 | 0 | 0 | 0 | 111.9 | | |
| 213 | G | 29.3 | Very low | 33.9 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | | | cis | 133.7 | 144 | -2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 214 | Y | 31.9 | Very low | 33.9 | Very low | 247 Ų | 247 | 127.1 Ų | 127.1 | 97% | 0.969 | 83% | 0.826 | S | S | * | * | | | trans | -147.2 | 144.6 | 171.9 | -75.5 | -83.6 | 0 | 0 | 0 | 108.7 | | |
| 215 | G | 32.9 | Very low | 34 | Very low | 75 Ų | 75 | 127.4 Ų | 127.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | cis | -165.6 | 173.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 216 | N | 33.8 | Very low | 34.1 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -132.8 | 156.3 | 180 | -160.8 | 31.3 | 0 | 0 | 0 | 108.8 | | |
| 217 | P | 52.6 | Low | 34.9 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | | -157 | 152.7 | 98.4 | 38.3 | -20.1 | 0 | 0 | 0 | 117.4 | | |
| 218 | R | 31.8 | Very low | 34.9 | Very low | 234 Ų | 234 | 129.1 Ų | 129.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | | | | -166.2 | 152.7 | 127.7 | -114 | 173.2 | 167.6 | -176 | -5.9 | 114.4 | | |
| 219 | N | 31.8 | Very low | 34.9 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | | | trans | -58.4 | 151.2 | -158.5 | -59 | 15.1 | 0 | 0 | 0 | 120.2 | | |
| 220 | S | 34.4 | Very low | 35.4 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -71 | -167.1 | 150.9 | -17.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 221 | P | 53.5 | Low | 35.4 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | cis | -129.7 | -170.2 | 15.4 | 39.9 | -19.5 | 0 | 0 | 0 | 113.9 | | |
| 222 | G | 31.9 | Very low | 35.8 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | | | cis | 160.4 | -179.3 | -12.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 223 | L | 35.7 | Very low | 35.7 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | 72.9 | 113.6 | 154.3 | -54.1 | 178.4 | 0 | 0 | 0 | 123.8 | | |
| 224 | L | 32 | Very low | 36 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | | 69.8 | 125.7 | 123 | -59.7 | 177.2 | 0 | 0 | 0 | 125 | | |
| 225 | V | 32.3 | Very low | 36.1 | Very low | 134 Ų | 134 | 137 Ų | 137 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | 82.1 | 137.4 | 129.7 | 169 | 0 | 0 | 0 | 0 | 121.7 | | |
| 226 | S | 32.8 | Very low | 36 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -82.8 | -173.2 | 175.6 | -36.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 227 | P | 49.3 | Very low | 36 | Very low | 132 Ų | 132 | 140.4 Ų | 140.4 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | cis | -134.3 | -163.4 | 0.4 | 43.5 | -24.9 | 0 | 0 | 0 | 113.6 | | |
| 228 | G | 28.8 | Very low | 35.4 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 140.1 | 89.2 | 153.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 229 | N | 32.8 | Very low | 36.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -38.6 | 131.6 | 162.7 | 173.8 | 28.9 | 0 | 0 | 0 | 116.3 | | |
| 230 | L | 41.5 | Very low | 37.5 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | | | trans | -138.5 | 152.5 | 155.6 | -84 | -178.6 | 0 | 0 | 0 | 111.4 | | |
| 231 | N | 32.8 | Very low | 38.1 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | | | trans | -144.1 | 156.3 | -166.1 | -171.4 | -0.4 | 0 | 0 | 0 | 110.7 | | |
| 232 | K | 37.6 | Very low | 37.1 | Very low | 197 Ų | 197 | 135.4 Ų | 135.4 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | 126.5 | 148 | 179.2 | -77.1 | 157.3 | -173.4 | 176.4 | 0 | 111.1 | | |
| 233 | N | 30 | Very low | 37.7 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | | | cis | -172 | 158.5 | -24.4 | -166.9 | 12.4 | 0 | 0 | 0 | 108.1 | | |
| 234 | I | 36.7 | Very low | 37.6 | Very low | 128 Ų | 128 | 140 Ų | 140 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | trans | 66.7 | 136.1 | 162 | -75.5 | 161.2 | 0 | 0 | 0 | 115.3 | | |
| 235 | Q | 32.2 | Very low | 37.8 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | cis | -157.7 | 179.7 | 0.1 | -125.3 | 176.5 | 35 | 0 | 0 | 111.9 | | |
| 236 | A | 31.7 | Very low | 38.1 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | | | trans | 86.1 | 99.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 237 | K | 33.4 | Very low | 38.3 | Very low | 212 Ų | 212 | 138.5 Ų | 138.5 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | 59.8 | 97.8 | 135.2 | -61.1 | -177.9 | 179 | -179.8 | 0 | 119.8 | | |
| 238 | S | 39.9 | Very low | 37.8 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -105.3 | 151.8 | 148.3 | 137.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 239 | P | 48.2 | Very low | 38.1 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 74% | 0.74 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 150 | 143.7 | 33.9 | -28.2 | 0 | 0 | 0 | 110.7 | | |
| 240 | P | 59.4 | Low | 38.6 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 169.6 | -174.4 | 36.8 | -37.3 | 0 | 0 | 0 | 113.6 | | |
| 241 | P | 47.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.7 | 162.5 | 29.4 | -34.8 | 0 | 0 | 0 | 110.6 | | |
| 242 | M | 33.6 | Very low | 39 | Very low | 191 Ų | 191 | 143.9 Ų | 143.9 | 94% | 0.941 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 119.3 | 173.5 | -72.1 | -163.3 | -65.1 | 0 | 0 | 111.4 | | |
| 243 | N | 43.4 | Very low | 39 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | trans | -124.5 | 115.3 | 155 | 179.2 | -9.7 | 0 | 0 | 0 | 107.5 | | |
| 244 | L | 34.1 | Very low | 39.8 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -152 | 133.6 | 159.7 | -152.4 | 74 | 0 | 0 | 0 | 109 | | |
| 245 | G | 35.8 | Very low | 39.9 | Very low | 59 Ų | 59 | 147.2 Ų | 147.2 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | trans | -95.2 | -171.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 246 | M | 39.7 | Very low | 40 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 84% | 0.837 | 78% | 0.782 | S | S | * | * | | | trans | 88.9 | 142.4 | 168 | -143.6 | 70.1 | 75.6 | 0 | 0 | 117.8 | | |
| 247 | N | 35.8 | Very low | 40.4 | Very low | 127 Ų | 127 | 148.3 Ų | 148.3 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | 86.1 | 94.6 | 162.6 | -61.3 | -56.8 | 0 | 0 | 0 | 120.6 | | |
| 248 | N | 39.7 | Very low | 40.9 | Very low | 134 Ų | 134 | 143.9 Ų | 143.9 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | | 54.6 | 100 | 117.6 | -66 | -51 | 0 | 0 | 0 | 119.6 | | |
| 249 | R | 34.8 | Very low | 41.8 | Very low | 246 Ų | 246 | 145 Ų | 145 | 93% | 0.928 | 78% | 0.78 | S | S | * | * | | | | -178.3 | 136.1 | 102.2 | -91.9 | 151.4 | -168.6 | -162.2 | 2.9 | 112.1 | | |
| 250 | K | 43.9 | Very low | 41.1 | Very low | 182 Ų | 182 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -87.8 | 165.4 | 154.8 | -66.5 | -171.7 | 175.2 | -173.8 | 0 | 108.6 | | |
| 251 | P | 46.2 | Very low | 40 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | | -126.8 | 146.7 | 88 | 17.9 | -0.2 | 0 | 0 | 0 | 113.9 | | |
| 252 | D | 35.1 | Very low | 39.6 | Very low | 89 Ų | 89 | 145.8 Ų | 145.8 | 48% | 0.476 | 78% | 0.782 | S | S | . | * | | | trans | -95.5 | 136 | 167.8 | 176.9 | 30.4 | 0 | 0 | 0 | 107.6 | R254 | D252-R254 PolarHBondContact O-N 3.27Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.44Å |
| 253 | L | 38.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 143.4 Ų | 143.4 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | trans | -74.8 | 111.1 | -176.9 | -115.1 | 81 | 0 | 0 | 0 | 110.1 | | |
| 254 | R | 45.2 | Very low | 39.1 | Very low | 204 Ų | 204 | 142.5 Ų | 142.5 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | -134.4 | 142 | 171.2 | -61.4 | -170.8 | -171.4 | -147 | -4.5 | 111.1 | D252 | D252-R254 PolarHBondContact O-N 3.27Å; D252-R254 IonicContact OD2-CZ 2.72Å; D252-R254 IonicContact OD2-NE 2.68Å; D252-R254 PolarHBondContact OD2-NE 3.27Å; D252-R254 IonicContact OD2-NH2 2.68Å; D252-R254 PolarHBondContact OD2-NH2 3.44Å |
| 255 | V | 40.5 | Very low | 38.9 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 89% | 0.891 | 77% | 0.772 | S | S | * | * | | | trans | -73.6 | 138.6 | -173.9 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 256 | L | 32.4 | Very low | 39.9 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -75.8 | 130.3 | 172.7 | -102 | 73.3 | 0 | 0 | 0 | 110.2 | | |
| 257 | I | 40.8 | Very low | 39.5 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 72% | 0.718 | 77% | 0.77 | S | S | * | * | | | | 70.9 | 136.6 | 82.3 | -73.6 | -177.7 | 0 | 0 | 0 | 112.1 | | |
| 258 | P | 43.6 | Very low | 39.3 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | cis | -133.4 | 175.5 | 32.6 | 26.4 | -2.2 | 0 | 0 | 0 | 118.9 | | |
| 259 | P | 58.4 | Low | 38.9 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -124.5 | 174.3 | -178.3 | 43.5 | -31.3 | 0 | 0 | 0 | 116.5 | | |
| 260 | G | 34 | Very low | 38.9 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | 169.8 | 151 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 261 | S | 36.7 | Very low | 38.5 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | cis | -166.5 | 144 | -11 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 262 | K | 39.5 | Very low | 38.1 | Very low | 183 Ų | 183 | 140 Ų | 140 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | | | trans | 68.6 | 127.4 | 150.4 | -67.3 | 173.3 | -178.6 | 177.9 | 0 | 123 | | |
| 263 | N | 31.7 | Very low | 38 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | 70.3 | 148.6 | 139.5 | -62.4 | 22.1 | 0 | 0 | 0 | 119.2 | | |
| 264 | T | 34.5 | Very low | 37.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | cis | -153.8 | 170.1 | -4.2 | 1.6 | 0 | 0 | 0 | 0 | 112.3 | | |
| 265 | M | 29.9 | Very low | 37.6 | Very low | 174 Ų | 174 | 134 Ų | 134 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -74 | -178.2 | 178.9 | -69.1 | -91.1 | -76.6 | 0 | 0 | 114.1 | | |
| 266 | P | 55.7 | Low | 37.4 | Very low | 103 Ų | 103 | 135.4 Ų | 135.4 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | | | cis | -140.7 | -165.2 | 6.6 | 41.6 | -20.8 | 0 | 0 | 0 | 117.2 | | |
| 267 | S | 31.2 | Very low | 37.6 | Very low | 106 Ų | 106 | 134 Ų | 134 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | | | trans | 83.1 | 148.2 | 151.5 | -77.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 268 | V | 33.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.715 | 76% | 0.759 | S | S | * | * | | | cis | -166.2 | 165.4 | -26.9 | 102.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 269 | N | 30.3 | Very low | 37 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | | | trans | 78.4 | 152.3 | 163.4 | -85.3 | -13.7 | 0 | 0 | 0 | 122.5 | | |
| 270 | Q | 35.9 | Very low | 35.8 | Very low | 172 Ų | 172 | 134.6 Ų | 134.6 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -110.4 | 152.6 | 179.2 | -52.7 | 166.6 | -4.3 | 0 | 0 | 110.4 | | |
| 271 | R | 34.3 | Very low | 35.7 | Very low | 213 Ų | 213 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | | 167.9 | 137.1 | 112.1 | -96.6 | -171.2 | 156.6 | -148.3 | -4.3 | 114.9 | | |
| 272 | I | 37.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 139 Ų | 139 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | trans | 62.4 | 98.8 | 138.5 | -58.4 | 175.5 | 0 | 0 | 0 | 118.9 | | |
| 273 | N | 34.2 | Very low | 35.4 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | | 44.6 | 120.6 | 116.9 | -167.8 | 64.2 | 0 | 0 | 0 | 120.9 | | |
| 274 | N | 34.8 | Very low | 36.2 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 68% | 0.684 | 77% | 0.772 | S | S | * | * | | | | -175.5 | 153.1 | 93.6 | -142.8 | 15 | 0 | 0 | 0 | 115.2 | | |
| 275 | S | 39.4 | Very low | 36.2 | Very low | 79 Ų | 79 | 135.7 Ų | 135.7 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | | | trans | 42.8 | 116.2 | 147 | -65 | 0 | 0 | 0 | 0 | 125.9 | | |
| 276 | Q | 37.3 | Very low | 36.5 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | | 83.1 | 141.9 | 121 | -66.4 | -172 | 9.2 | 0 | 0 | 124.6 | | |
| 277 | S | 35.4 | Very low | 35.4 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | 53 | 102.5 | 153.2 | 58.4 | 0 | 0 | 0 | 0 | 120 | | |
| 278 | A | 33.5 | Very low | 35.9 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -88.8 | 140.5 | 159.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 279 | Q | 40.1 | Very low | 36.1 | Very low | 184 Ų | 184 | 134.5 Ų | 134.5 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | | | trans | -116.4 | 133.7 | 160.5 | -71.6 | -174.6 | -8.6 | 0 | 0 | 109.2 | | |
| 280 | S | 31.4 | Very low | 36.4 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | -164.2 | 112.4 | 157.4 | -77.3 | 0 | 0 | 0 | 0 | 106.6 | | |
| 281 | L | 32.2 | Very low | 37.3 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | | | | 65.4 | 97.3 | 72.8 | -66.6 | 171.6 | 0 | 0 | 0 | 112 | | |
| 282 | A | 37.4 | Very low | 37.2 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -140.8 | 104 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 283 | T | 33.6 | Very low | 37.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -165.8 | 161.6 | 173 | 39.1 | 0 | 0 | 0 | 0 | 108.8 | | |
| 284 | P | 48.8 | Very low | 38 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | | | cis | -124.5 | 170.2 | -14.2 | 30.2 | -11.3 | 0 | 0 | 0 | 113.4 | | |
| 285 | V | 34.8 | Very low | 37.8 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 142.7 | 161.1 | 173.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 286 | V | 34.8 | Very low | 37.7 | Very low | 127 Ų | 127 | 131.9 Ų | 131.9 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -85.8 | 130.2 | 176.7 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 287 | S | 33 | Very low | 37.4 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -131.5 | 144.2 | 164.7 | -75.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 288 | V | 42.3 | Very low | 37.5 | Very low | 136 Ų | 136 | 131 Ų | 131 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | | | trans | -101.2 | 126.3 | -167 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 289 | A | 36.2 | Very low | 37.5 | Very low | 98 Ų | 98 | 129.2 Ų | 129.2 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -149.2 | 130.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 290 | T | 36.5 | Very low | 37 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | | | trans | -105.3 | 136.5 | 179.4 | -50.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 291 | P | 54.9 | Low | 37.3 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | | | trans | -101 | 159.7 | -167.2 | 38 | -36.3 | 0 | 0 | 0 | 114.7 | | |
| 292 | T | 32.3 | Very low | 38.2 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | | | trans | -164.9 | 153 | 131.7 | 18.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 293 | L | 39.5 | Very low | 38 | Very low | 160 Ų | 160 | 126.9 Ų | 126.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -85.6 | -174.7 | 167.3 | -93.5 | 66.6 | 0 | 0 | 0 | 110.5 | | |
| 294 | P | 49.3 | Very low | 38 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | cis | -121.6 | -171.6 | -7 | 16.3 | 10.2 | 0 | 0 | 0 | 111.9 | | |
| 295 | G | 31.7 | Very low | 37.5 | Very low | 66 Ų | 66 | 127.7 Ų | 127.7 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | | | cis | 153 | 175.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 296 | Q | 37 | Very low | 37.4 | Very low | 210 Ų | 210 | 126.7 Ų | 126.7 | 98% | 0.981 | 81% | 0.807 | S | S | * | * | | | trans | 64.1 | 125.2 | -175.1 | -61.1 | -163 | -2.7 | 0 | 0 | 117.2 | | |
| 297 | G | 31.1 | Very low | 37.3 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -147.9 | 133.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 298 | M | 37.8 | Very low | 37.3 | Very low | 192 Ų | 192 | 126.9 Ų | 126.9 | 95% | 0.946 | 81% | 0.805 | S | S | * | * | | | trans | -154.6 | 127.5 | 173 | -140.3 | -57.7 | 109.9 | 0 | 0 | 109.7 | | |
| 299 | G | 32.3 | Very low | 37.1 | Very low | 68 Ų | 68 | 131.4 Ų | 131.4 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 109.6 | 131.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 300 | G | 29.4 | Very low | 37.1 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | | | | 123.7 | 30 | 124.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 301 | Y | 38.5 | Very low | 37 | Very low | 231 Ų | 231 | 129 Ų | 129 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | trans | 58.3 | -165.7 | 152.6 | -66.4 | -75.4 | 0 | 0 | 0 | 116.1 | | |
| 302 | P | 51.1 | Low | 36 | Very low | 107 Ų | 107 | 130 Ų | 130 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | | | | -136.5 | 176.6 | -106.7 | 38.9 | -17.1 | 0 | 0 | 0 | 115.7 | | |
| 303 | S | 33.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | | 160.7 | 127.4 | 120.6 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 304 | A | 33.9 | Very low | 36 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | | | trans | -137.9 | 128.9 | 148.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 305 | I | 37.7 | Very low | 35.4 | Very low | 159 Ų | 159 | 132.5 Ų | 132.5 | 82% | 0.815 | 79% | 0.789 | S | S | * | * | | | trans | -94.2 | 134.3 | -168.6 | 44.9 | 171.5 | 0 | 0 | 0 | 112.5 | | |
| 306 | S | 31.9 | Very low | 35.7 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -161.7 | 100.1 | 166.4 | -79 | 0 | 0 | 0 | 0 | 110.8 | | |
| 307 | T | 33 | Very low | 35.6 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | | | trans | -80.6 | 116.4 | 174.1 | -50.8 | 0 | 0 | 0 | 0 | 108 | | |
| 308 | T | 34.2 | Very low | 36 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 79% | 0.787 | S | S | * | * | | | | 75.1 | 103.1 | 60.6 | -51.2 | 0 | 0 | 0 | 0 | 114.8 | | |
| 309 | Y | 37.7 | Very low | 35.7 | Very low | 231 Ų | 231 | 130 Ų | 130 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | | | trans | -173.7 | 131.1 | 133 | -96.2 | -74.2 | 0 | 0 | 0 | 104 | | |
| 310 | G | 35.2 | Very low | 35.9 | Very low | 65 Ų | 65 | 134.2 Ų | 134.2 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | cis | 123.2 | 138.9 | 19.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 311 | T | 34.6 | Very low | 36 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | | | cis | -152.1 | -167.5 | -0.9 | 57.1 | 0 | 0 | 0 | 0 | 106 | | |
| 312 | E | 34 | Very low | 35.9 | Very low | 129 Ų | 129 | 131 Ų | 131 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | | | cis | -168 | 157.3 | -9.6 | 42.9 | -157.6 | 62 | 0 | 0 | 105.4 | | |
| 313 | Y | 35.9 | Very low | 35 | Very low | 198 Ų | 198 | 133.8 Ų | 133.8 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | cis | -138.4 | -179.3 | 4.7 | -70.3 | -88.8 | 0 | 0 | 0 | 110 | | |
| 314 | S | 36.1 | Very low | 35.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | | | trans | -139.4 | 138.9 | 168.2 | -66.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 315 | L | 36.4 | Very low | 35 | Very low | 168 Ų | 168 | 132 Ų | 132 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | | | trans | -141.6 | 121.1 | 155.6 | -68.7 | 177 | 0 | 0 | 0 | 106.4 | | |
| 316 | S | 37.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | | 78.9 | 133.4 | 57.7 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | | |
| 317 | S | 36 | Very low | 34.6 | Very low | 115 Ų | 115 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | -137.6 | 119.6 | -155.5 | 57.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 318 | A | 39.5 | Very low | 34.5 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -165.5 | 121.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 319 | D | 31.3 | Very low | 34.4 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | | -173.3 | 170.4 | 113.6 | -103.6 | -29.1 | 0 | 0 | 0 | 111.3 | | |
| 320 | L | 36.5 | Very low | 34 | Very low | 157 Ų | 157 | 129.2 Ų | 129.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | | | trans | -116 | 159.9 | -156.5 | -69.5 | 166 | 0 | 0 | 0 | 115.1 | | |
| 321 | S | 32.2 | Very low | 34 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | trans | 70.7 | 88.7 | 149.5 | -61.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 322 | S | 35.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -147.7 | 97.9 | 142.9 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 323 | L | 33.5 | Very low | 33.7 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 82% | 0.82 | S | S | * | * | | | trans | 46.6 | 124.6 | 145.7 | -67.5 | 164.1 | 0 | 0 | 0 | 121.9 | | |
| 324 | S | 35.3 | Very low | 33.4 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | | | trans | 60.6 | 130 | 140 | 63.7 | 0 | 0 | 0 | 0 | 121.9 | | |
| 325 | G | 30.9 | Very low | 33.1 | Very low | 62 Ų | 62 | 132.3 Ų | 132.3 | 64% | 0.639 | 82% | 0.819 | S | S | * | * | | | | 131.5 | 75.3 | 122.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 326 | F | 30.7 | Very low | 32.8 | Very low | 214 Ų | 214 | 130 Ų | 130 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | | | trans | 69.3 | 166.7 | 151.4 | -66.9 | -79.8 | 0 | 0 | 0 | 120 | | |
| 327 | N | 32 | Very low | 32.6 | Very low | 147 Ų | 147 | 131 Ų | 131 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | | | trans | -127.9 | 148.2 | -164 | -96.6 | -78.7 | 0 | 0 | 0 | 112.1 | | |
| 328 | T | 30.8 | Very low | 32.5 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | 45.4 | 126.5 | 145.9 | 61.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 329 | A | 30.5 | Very low | 32.2 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | | | | -171.2 | 162.5 | 117.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 330 | S | 30.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | | | trans | 68.1 | 107.9 | 163 | -55.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 331 | A | 34.4 | Very low | 32 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | | 81 | 112 | 60.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 332 | L | 30.6 | Very low | 32.2 | Very low | 186 Ų | 186 | 137.3 Ų | 137.3 | 97% | 0.974 | 82% | 0.816 | S | S | * | * | | | trans | -86.5 | 129.9 | 174.2 | -64.7 | 170.8 | 0 | 0 | 0 | 110 | | |
| 333 | H | 31.1 | Very low | 32.1 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | | | trans | -118.3 | 151 | 165.1 | -175.1 | -87.3 | 0 | 0 | 0 | 111 | | |
| 334 | L | 31.6 | Very low | 31.9 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -46.6 | 136.4 | 177.9 | -141 | 68 | 0 | 0 | 0 | 113.1 | | |
| 335 | G | 28.7 | Very low | 31.7 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | -82 | 166.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 336 | S | 29.8 | Very low | 31.8 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -132 | 152.6 | 166.5 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 337 | V | 33.4 | Very low | 31.8 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -82.9 | 135.6 | -171.4 | -74.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 338 | T | 34.8 | Very low | 31.9 | Very low | 144 Ų | 144 | 140.9 Ų | 140.9 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -97.2 | 142.2 | 169 | 43.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 339 | G | 32.4 | Very low | 32.7 | Very low | 76 Ų | 76 | 139.8 Ų | 139.8 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -98 | 178.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 340 | W | 31 | Very low | 33.9 | Very low | 252 Ų | 252 | 140.7 Ų | 140.7 | 96% | 0.955 | 79% | 0.787 | S | S | * | * | | | trans | -92.5 | 120 | 179.1 | -82.6 | 70.4 | 0 | 0 | 0 | 113.2 | | |
| 341 | Q | 33.1 | Very low | 34.1 | Very low | 157 Ų | 157 | 140.9 Ų | 140.9 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | | | | 6.3 | 137.7 | 129.1 | -145.2 | 161.5 | -10.8 | 0 | 0 | 117.3 | | |
| 342 | Q | 36 | Very low | 34.1 | Very low | 147 Ų | 147 | 140.4 Ų | 140.4 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | cis | -175.9 | -178.1 | -1.3 | -178.6 | 178.1 | -8.1 | 0 | 0 | 111 | | |
| 343 | Q | 32.6 | Very low | 34.4 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | 83.9 | 142.8 | 162.6 | -62.3 | -174.3 | -15.4 | 0 | 0 | 117.1 | | |
| 344 | H | 30.6 | Very low | 34.6 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | cis | -144.9 | 128.8 | -4.9 | -102 | -64.2 | 0 | 0 | 0 | 108.3 | | |
| 345 | L | 30.6 | Very low | 34.8 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | | 84.1 | 102.9 | 93.4 | -168.6 | 77 | 0 | 0 | 0 | 117.6 | | |
| 346 | H | 31.6 | Very low | 35.1 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | | 170.3 | 139.9 | 124.7 | -96.7 | -69.9 | 0 | 0 | 0 | 116.7 | | |
| 347 | N | 31 | Very low | 35.2 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | 47.5 | 109.4 | 152 | -63.4 | 26.8 | 0 | 0 | 0 | 125.1 | | |
| 348 | M | 34.1 | Very low | 35.1 | Very low | 176 Ų | 176 | 134.8 Ų | 134.8 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | | | | 29.1 | 157.5 | 114 | -68.2 | -69.5 | -165.6 | 0 | 0 | 122.3 | | |
| 349 | P | 47.8 | Very low | 34.8 | Very low | 106 Ų | 106 | 134.2 Ų | 134.2 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | | | cis | -139.4 | -152.1 | -25.6 | 36 | -12.3 | 0 | 0 | 0 | 112.5 | | |
| 350 | P | 56.6 | Low | 34.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | | -126 | -164.9 | -70.4 | 39.6 | -22.4 | 0 | 0 | 0 | 114.2 | | |
| 351 | S | 34.5 | Very low | 34.8 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | | | trans | 91.6 | 134 | 170 | -39.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 352 | A | 35.1 | Very low | 34.8 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | cis | -166 | 177 | -6.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 353 | L | 35.2 | Very low | 34.7 | Very low | 161 Ų | 161 | 130.2 Ų | 130.2 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | cis | -154.6 | 177.6 | 1.3 | -155 | 71.2 | 0 | 0 | 0 | 110.2 | | |
| 354 | S | 36.3 | Very low | 34.7 | Very low | 80 Ų | 80 | 128.8 Ų | 128.8 | 56% | 0.559 | 76% | 0.76 | S | S | * | * | | | trans | -24.3 | 165 | 152.5 | -67.4 | 0 | 0 | 0 | 0 | 120.8 | | |
| 355 | Q | 35.3 | Very low | 34.8 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 71% | 0.71 | 76% | 0.761 | S | S | * | * | | | cis | -172.6 | 156.4 | -10.2 | -108.6 | 165.4 | -66.5 | 0 | 0 | 110.3 | | |
| 356 | L | 35.8 | Very low | 34.8 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | 59.4 | 161.5 | 148.4 | -64.5 | 165.5 | 0 | 0 | 0 | 118.1 | | |
| 357 | G | 30.9 | Very low | 34.8 | Very low | 70 Ų | 70 | 127.3 Ų | 127.3 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | | | cis | -171.3 | 158.4 | -6.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 358 | A | 31.8 | Very low | 35 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | | | trans | -100.4 | 146.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 359 | C | 29.6 | Very low | 34.9 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | | | trans | -153.6 | 146.9 | 148.7 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 360 | T | 32.7 | Very low | 34.1 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | | | trans | -115.8 | 146 | 178.9 | 50.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 361 | S | 29.7 | Very low | 32.9 | Very low | 120 Ų | 120 | 127.8 Ų | 127.8 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | | | trans | -163 | 167 | 140.8 | -151 | 0 | 0 | 0 | 0 | 113.5 | | |
| 362 | T | 32.5 | Very low | 33.1 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 75% | 0.748 | 79% | 0.785 | S | S | * | * | | | trans | -108 | 158.7 | -177.1 | 54.1 | 0 | 0 | 0 | 0 | 111.9 | | |
| 363 | H | 34.4 | Very low | 33.2 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | | | | -160.8 | 169.2 | 129 | -159.3 | -106 | 0 | 0 | 0 | 112.6 | | |
| 364 | L | 32.8 | Very low | 33.2 | Very low | 123 Ų | 123 | 127.9 Ų | 127.9 | 64% | 0.644 | 78% | 0.778 | S | S | * | * | | | trans | -92.2 | 154.1 | -174.4 | -73.6 | 63.2 | 0 | 0 | 0 | 113.9 | | |
| 365 | S | 31.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | | | trans | 40.6 | 130 | 140.4 | 69.6 | 0 | 0 | 0 | 0 | 121.5 | | |
| 366 | Q | 32 | Very low | 33.2 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -167 | 171 | 107.6 | -106.1 | 175.4 | 37.4 | 0 | 0 | 112.3 | | |
| 367 | S | 32 | Very low | 33.1 | Very low | 104 Ų | 104 | 129.4 Ų | 129.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -113 | 129 | -172.8 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 368 | S | 34.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | | | trans | -179.7 | 130.6 | 132.8 | -83.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 369 | N | 31 | Very low | 34.1 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | trans | -9.1 | 148.3 | 161.1 | -87.2 | -63.4 | 0 | 0 | 0 | 123.8 | | |
| 370 | L | 32.2 | Very low | 34.6 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | 78.4 | 94.5 | 145.6 | -69.2 | 165.3 | 0 | 0 | 0 | 120.9 | | |
| 371 | S | 31.2 | Very low | 34.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | | | trans | -155.4 | 141.5 | 131 | -19.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 372 | L | 37.9 | Very low | 35.6 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | | | trans | -96.4 | 142.5 | 167.2 | -82 | 76.2 | 0 | 0 | 0 | 109.1 | | |
| 373 | P | 36.8 | Very low | 36.4 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | | -126.4 | 135.3 | 95.4 | 11.3 | 8.8 | 0 | 0 | 0 | 111.3 | | |
| 374 | S | 35.1 | Very low | 37 | Very low | 92 Ų | 92 | 139.7 Ų | 139.7 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | | 77.8 | 122.9 | 75.4 | -160.8 | 0 | 0 | 0 | 0 | 114 | | |
| 375 | T | 35.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | | | trans | 58.4 | 108.8 | 176.3 | 63.7 | 0 | 0 | 0 | 0 | 118 | | |
| 376 | Q | 36.2 | Very low | 38.2 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | | | | -168.1 | 165.1 | 97.7 | -98 | -179.9 | 32.2 | 0 | 0 | 112.2 | | |
| 377 | S | 34.8 | Very low | 39.3 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -76 | 138.5 | -167.7 | 50.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 378 | L | 40 | Very low | 39.7 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | trans | -108.1 | 134.4 | 158.4 | -74.6 | 174.4 | 0 | 0 | 0 | 110.5 | | |
| 379 | N | 42.3 | Very low | 40.2 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -92.7 | 103.4 | -178.1 | -179.1 | -2.2 | 0 | 0 | 0 | 110.2 | | |
| 380 | I | 40.7 | Very low | 40.5 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | -102.7 | 110.7 | 172.8 | -59.7 | 179 | 0 | 0 | 0 | 108.6 | S382 | I380-S382 PolarHBondContact O-N 2.82Å; I380-S382 VanDerWaalsContact O-N 3.16Å |
| 381 | K | 36.4 | Very low | 40.7 | Very low | 199 Ų | 199 | 149.3 Ų | 149.3 | 87% | 0.865 | 81% | 0.814 | S | S | * | * | | | trans | -79.1 | 93.1 | 180 | -175.5 | 178.3 | 179.1 | -179.5 | 0 | 110.4 | | |
| 382 | S | 47.7 | Very low | 40.8 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 151.4 | 174.3 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | I380 | I380-S382 PolarHBondContact O-N 2.82Å; I380-S382 VanDerWaalsContact O-N 3.16Å |
| 383 | E | 48.6 | Very low | 40.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 141.6 | 179.5 | -168.2 | 173.3 | -175.9 | 0 | 0 | 110.9 | | |
| 384 | P | 46.8 | Very low | 40.6 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 131.8 | -174.6 | 30.1 | -34.6 | 0 | 0 | 0 | 113.5 | | |
| 385 | V | 44.3 | Very low | 40.9 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.4 | 170.6 | 164.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 386 | S | 46.1 | Very low | 40.6 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 141.5 | 175.6 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 387 | P | 55.3 | Low | 40.4 | Very low | 114 Ų | 114 | 151.9 Ų | 151.9 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 155.7 | 177.9 | 33.1 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 388 | P | 40.3 | Very low | 40.2 | Very low | 120 Ų | 120 | 157.2 Ų | 157.2 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 155.7 | 178.5 | 30.5 | -35.9 | 0 | 0 | 0 | 112.6 | | |
| 389 | R | 45.3 | Very low | 40.4 | Very low | 249 Ų | 249 | 154.5 Ų | 154.5 | 94% | 0.94 | 82% | 0.816 | S | S | * | * | | | trans | -135 | 87.3 | 175.5 | -105.6 | -170.7 | 172 | -175.5 | -0.9 | 112.2 | | |
| 390 | D | 37.4 | Very low | 39.9 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 86% | 0.856 | 82% | 0.816 | S | S | * | * | | | trans | -75.5 | 125.4 | 153.4 | -72.1 | -64.7 | 0 | 0 | 0 | 109.6 | | |
| 391 | R | 35.4 | Very low | 39.5 | Very low | 250 Ų | 250 | 156.7 Ų | 156.7 | 94% | 0.943 | 82% | 0.817 | S | S | * | * | | | trans | -163.3 | 122.6 | 145.8 | -122.3 | 179.3 | -175.6 | -154.6 | -1.2 | 114.4 | | |
| 392 | T | 34.4 | Very low | 39.4 | Very low | 127 Ų | 127 | 153 Ų | 153 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | trans | -77.6 | 169.6 | 167.3 | -26.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 393 | T | 31.2 | Very low | 38.4 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | | | trans | 90.3 | 121.2 | 154 | -50.2 | 0 | 0 | 0 | 0 | 117.7 | | |
| 394 | T | 39.2 | Very low | 37.7 | Very low | 126 Ų | 126 | 157 Ų | 157 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | -80.6 | 169.5 | 171.6 | 46.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 395 | P | 40.5 | Very low | 36.9 | Very low | 126 Ų | 126 | 159.2 Ų | 159.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | | -148.2 | 149.2 | 106.9 | 36.8 | -22.1 | 0 | 0 | 0 | 115.3 | | |
| 396 | S | 29.8 | Very low | 36.4 | Very low | 113 Ų | 113 | 157.2 Ų | 157.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | | | trans | -157.1 | 105.8 | 152.4 | -162.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 397 | R | 31 | Very low | 35.7 | Very low | 239 Ų | 239 | 155.9 Ų | 155.9 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | | | trans | 27.9 | 115.3 | 142.6 | -151.4 | 178.4 | -149.2 | -179.1 | 6.4 | 120.9 | | |
| 398 | Y | 32.1 | Very low | 34.8 | Very low | 225 Ų | 225 | 162.8 Ų | 162.8 | 88% | 0.882 | 82% | 0.822 | S | S | * | * | | | trans | -101.5 | 164.6 | 150.3 | -79.3 | -85.3 | 0 | 0 | 0 | 111.3 | | |
| 399 | P | 43.5 | Very low | 34.4 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | | | trans | -123 | 136.2 | 154.1 | 35.8 | -23.6 | 0 | 0 | 0 | 113.4 | | |
| 400 | Q | 31.2 | Very low | 35 | Very low | 176 Ų | 176 | 156 Ų | 156 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | 60.6 | 139.1 | 169 | -58.4 | 179.8 | -38 | 0 | 0 | 116 | | |
| 401 | H | 32.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 154.7 Ų | 154.7 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | | | cis | -137.7 | -163.9 | 37.8 | -114.9 | -90.9 | 0 | 0 | 0 | 113.7 | | |
| 402 | T | 33.4 | Very low | 34.7 | Very low | 122 Ų | 122 | 149.6 Ų | 149.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -114.3 | 161.8 | -162.9 | 45.5 | 0 | 0 | 0 | 0 | 115.9 | | |
| 403 | R | 28.2 | Very low | 34.7 | Very low | 219 Ų | 219 | 149.6 Ų | 149.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 83.9 | 115.4 | 160.1 | -71.2 | -160.2 | 143.7 | -178.7 | -4.4 | 121.3 | | |
| 404 | H | 33.1 | Very low | 34.8 | Very low | 152 Ų | 152 | 151.3 Ų | 151.3 | 70% | 0.704 | 81% | 0.81 | S | S | * | * | | | | 73.9 | 137.3 | 128 | -83.7 | -92.3 | 0 | 0 | 0 | 124.3 | | |
| 405 | E | 29.3 | Very low | 34.5 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | trans | 78.6 | 122.8 | 142.8 | -70.2 | -74.4 | 89.3 | 0 | 0 | 121.9 | | |
| 406 | A | 34.2 | Very low | 34.2 | Very low | 100 Ų | 100 | 149.6 Ų | 149.6 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | | | trans | 56.4 | 138.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 407 | G | 31.9 | Very low | 34.1 | Very low | 80 Ų | 80 | 150.1 Ų | 150.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | 150.2 | 124.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 408 | R | 35.8 | Very low | 34.1 | Very low | 258 Ų | 258 | 144.2 Ų | 144.2 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | | | trans | -112.8 | 155.5 | 171.9 | -70.2 | -175.4 | 177.4 | -138.1 | 1.6 | 110.3 | | |
| 409 | S | 32.3 | Very low | 34.1 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | | | trans | -82.4 | -173.5 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 410 | P | 57.4 | Low | 33.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | cis | -126.5 | -174.3 | -29 | 28.1 | -7.7 | 0 | 0 | 0 | 111.7 | | |
| 411 | V | 33.2 | Very low | 33.9 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | | | trans | 177.9 | 162.9 | 131.7 | 65.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 412 | D | 34 | Very low | 34.1 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | | | trans | -68.8 | 167 | -175.4 | -50.1 | -98.5 | 0 | 0 | 0 | 116.4 | | |
| 413 | S | 34 | Very low | 34 | Very low | 127 Ų | 127 | 136 Ų | 136 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -157.9 | 150.4 | 153.5 | -80.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 414 | L | 34 | Very low | 34.4 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -108 | 145.7 | -174.8 | -68.2 | 166.6 | 0 | 0 | 0 | 112.5 | | |
| 415 | S | 33.4 | Very low | 34.5 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | 26 | 142.9 | 145.4 | -48.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 416 | S | 32.5 | Very low | 34.9 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | 104.3 | 162.9 | 142.2 | -56 | 0 | 0 | 0 | 0 | 119.7 | | |
| 417 | C | 28.6 | Very low | 35 | Very low | 124 Ų | 124 | 138 Ų | 138 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | 71.5 | 108.2 | -178 | -57.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 418 | S | 31.1 | Very low | 35.2 | Very low | 115 Ų | 115 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | cis | 79.3 | 122.7 | 41.6 | -161.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 419 | S | 33 | Very low | 35.2 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -149.4 | 126.9 | 169.9 | 55.8 | 0 | 0 | 0 | 0 | 110 | | |
| 420 | S | 34.9 | Very low | 35.2 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -156.9 | 108.1 | -171.2 | 56 | 0 | 0 | 0 | 0 | 112.2 | | |
| 421 | Y | 35 | Very low | 34 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -172.2 | 147.3 | 170.5 | -152.2 | -105.1 | 0 | 0 | 0 | 107.7 | | |
| 422 | D | 37.4 | Very low | 33.9 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 59% | 0.594 | 80% | 0.795 | S | S | * | * | | | cis | -164.8 | 171.5 | -29.3 | -178.8 | 21.1 | 0 | 0 | 0 | 106.1 | | |
| 423 | G | 31.4 | Very low | 33.8 | Very low | 77 Ų | 77 | 146.3 Ų | 146.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 174.9 | 46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 424 | S | 36.8 | Very low | 33.7 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | -79.7 | 129.5 | 174 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 425 | D | 34.8 | Very low | 33.7 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -141.4 | 123.6 | 166.5 | -154 | -19.8 | 0 | 0 | 0 | 110.4 | | |
| 426 | R | 37.3 | Very low | 34.5 | Very low | 238 Ų | 238 | 146.2 Ų | 146.2 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | | | trans | -168.6 | 100.4 | -178 | -106.7 | -175.8 | 176.8 | 165.5 | -0.3 | 108.9 | | |
| 427 | E | 36.2 | Very low | 34.5 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | trans | -78 | 158.2 | 176.6 | -69.2 | -162.6 | 110.7 | 0 | 0 | 113.8 | | |
| 428 | D | 35.5 | Very low | 34.6 | Very low | 136 Ų | 136 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -66.1 | 161.3 | -178.7 | -85.5 | -62.7 | 0 | 0 | 0 | 114.8 | | |
| 429 | H | 36.9 | Very low | 34.8 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | | | trans | -126.7 | 100.2 | 147.3 | -90.9 | 41.7 | 0 | 0 | 0 | 109.2 | | |
| 430 | R | 32.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -77.9 | 140.3 | 171.6 | -75.2 | -172.7 | 175 | -146.2 | 4.7 | 111.5 | E432 | R430-E432 IonicContact NH1-OE1 3.29Å; R430-E432 IonicContact NH1-OE2 2.6Å; R430-E432 PolarHBondContact NH1-OE2 2.69Å |
| 431 | N | 31.3 | Very low | 34.6 | Very low | 172 Ų | 172 | 154 Ų | 154 | 92% | 0.92 | 79% | 0.789 | S | S | * | * | | | trans | -142.1 | 133.6 | 147.9 | -105.8 | -37.3 | 0 | 0 | 0 | 107.5 | | |
| 432 | E | 31.2 | Very low | 34.9 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | -140.5 | 114.7 | -158.1 | -178.4 | 167.6 | -159.7 | 0 | 0 | 110 | R430 | R430-E432 IonicContact NH1-OE1 3.29Å; R430-E432 IonicContact NH1-OE2 2.6Å; R430-E432 PolarHBondContact NH1-OE2 2.69Å |
| 433 | F | 31.3 | Very low | 34.5 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | | | trans | -154 | 133.6 | 173 | -101.6 | -69.4 | 0 | 0 | 0 | 113.2 | | |
| 434 | H | 32.3 | Very low | 35.7 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 80% | 0.796 | 77% | 0.774 | S | S | * | * | | | trans | 62.5 | 113.6 | 165.9 | -65.9 | -66.2 | 0 | 0 | 0 | 120.8 | | |
| 435 | S | 34.8 | Very low | 35.5 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | | | trans | -74.4 | 171.1 | 159.4 | -36.1 | 0 | 0 | 0 | 0 | 112 | | |
| 436 | P | 49.3 | Very low | 35.4 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | | -154.9 | 161.3 | 92 | 40.1 | -21.8 | 0 | 0 | 0 | 119 | | |
| 437 | I | 33.8 | Very low | 35.2 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | 76.1 | 136.1 | 146.3 | -72.9 | 161.5 | 0 | 0 | 0 | 121.5 | | |
| 438 | G | 30 | Very low | 34.9 | Very low | 63 Ų | 63 | 147 Ų | 147 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | | | trans | 120.3 | 100.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 439 | L | 34.8 | Very low | 34.6 | Very low | 168 Ų | 168 | 145.7 Ų | 145.7 | 88% | 0.88 | 76% | 0.758 | S | S | * | * | | | | 51.5 | 120 | 70.6 | -67.1 | 167 | 0 | 0 | 0 | 112.6 | | |
| 440 | T | 31.7 | Very low | 35.4 | Very low | 134 Ų | 134 | 142 Ų | 142 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | cis | -149.2 | 173.9 | 20.8 | 53.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 441 | R | 31.8 | Very low | 35.4 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | | | trans | -111 | -178.1 | 161.7 | -122.5 | -166.2 | 138.5 | -178.3 | -6.9 | 108.6 | S443 | R441-S443 PolarHBondContact NH2-OG 3.16Å; R441-S443 VanDerWaalsContact NH2-OG 3.13Å |
| 442 | P | 42.2 | Very low | 35.5 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | | | cis | -112.7 | 175.9 | 1.7 | 14.5 | 12.6 | 0 | 0 | 0 | 113.3 | | |
| 443 | S | 29 | Very low | 35.7 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | | | cis | 73.6 | 152 | 42.8 | -133.8 | 0 | 0 | 0 | 0 | 114.4 | R441 | R441-S443 PolarHBondContact NH2-OG 3.16Å; R441-S443 VanDerWaalsContact NH2-OG 3.13Å |
| 444 | P | 55.3 | Low | 35.8 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | | | cis | -116 | -170.6 | -18.1 | 19.2 | 8.4 | 0 | 0 | 0 | 110.5 | | |
| 445 | D | 32.9 | Very low | 35.7 | Very low | 141 Ų | 141 | 139.9 Ų | 139.9 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | | 168.8 | 175.7 | 63.4 | -104.7 | -46.2 | 0 | 0 | 0 | 105.6 | | |
| 446 | E | 33.3 | Very low | 35.7 | Very low | 160 Ų | 160 | 145.2 Ų | 145.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | cis | -151.8 | -171.8 | 11.3 | -138.9 | -174.6 | 149 | 0 | 0 | 112.6 | | |
| 447 | R | 33.1 | Very low | 35.3 | Very low | 190 Ų | 190 | 147.8 Ų | 147.8 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | trans | -59 | 174.2 | 178.4 | -65.1 | 157.7 | 170.6 | -89.2 | 0.9 | 116 | | |
| 448 | E | 30.5 | Very low | 35.5 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | | | cis | -157.9 | 179.3 | -5 | -126.9 | 161 | 119.9 | 0 | 0 | 111.1 | | |
| 449 | S | 27.8 | Very low | 35.8 | Very low | 107 Ų | 107 | 151.1 Ų | 151.1 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -117.6 | -159.4 | 169.4 | -39.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 450 | P | 54.4 | Low | 35.7 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | cis | -130.4 | 166.7 | -40.7 | 36.4 | -21.1 | 0 | 0 | 0 | 114 | | |
| 451 | S | 31.9 | Very low | 35.9 | Very low | 113 Ų | 113 | 152.4 Ų | 152.4 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | | | trans | -178.1 | 141.9 | 146.6 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 452 | V | 33.4 | Very low | 36.2 | Very low | 135 Ų | 135 | 146.5 Ų | 146.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | cis | 81.9 | 83.6 | 32.2 | -172.1 | 0 | 0 | 0 | 0 | 115 | | |
| 453 | K | 36.8 | Very low | 36.5 | Very low | 204 Ų | 204 | 151.5 Ų | 151.5 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -168.4 | 112.5 | 131.6 | -114.8 | 170.3 | -177.8 | 171 | 0 | 118.1 | | |
| 454 | R | 32.7 | Very low | 36.9 | Very low | 227 Ų | 227 | 155.3 Ų | 155.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | trans | -9.9 | 117.5 | 143.4 | 178.9 | -176.5 | -65 | 167.6 | -0.8 | 119.8 | | |
| 455 | M | 30.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 158.1 Ų | 158.1 | 66% | 0.655 | 82% | 0.821 | S | S | * | * | | | | 60.1 | 123.2 | 127.1 | -167.2 | -163.1 | 88.4 | 0 | 0 | 122.6 | | |
| 456 | R | 34 | Very low | 36 | Very low | 224 Ų | 224 | 159.1 Ų | 159.1 | 85% | 0.845 | 83% | 0.825 | S | S | * | * | | | | -162.1 | 173 | 127.4 | -119.6 | 178.9 | 179.8 | 81.1 | -0.3 | 114.8 | | |
| 457 | L | 40.3 | Very low | 36.2 | Very low | 165 Ų | 165 | 159 Ų | 159 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | | | trans | -112.3 | 146.2 | -173.4 | -66.9 | 135.5 | 0 | 0 | 0 | 112.1 | | |
| 458 | S | 39.2 | Very low | 36.4 | Very low | 105 Ų | 105 | 157.1 Ų | 157.1 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | | | trans | -170.6 | 119.8 | 153.1 | 50.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 459 | E | 35.8 | Very low | 36.8 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | | | | 55.9 | 129.6 | 83.2 | -68.1 | -165.9 | 127.1 | 0 | 0 | 114.2 | | |
| 460 | G | 33.5 | Very low | 37.4 | Very low | 78 Ų | 78 | 160.9 Ų | 160.9 | 80% | 0.804 | 85% | 0.852 | S | S | * | * | | | trans | 150.1 | 89.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 461 | W | 36.3 | Very low | 36.1 | Very low | 252 Ų | 252 | 164.2 Ų | 164.2 | 96% | 0.955 | 86% | 0.858 | S | S | * | * | | | trans | -57.1 | 147.2 | 178.2 | -82.4 | 42.4 | 0 | 0 | 0 | 116.9 | | |
| 462 | A | 38.1 | Very low | 36.5 | Very low | 83 Ų | 83 | 168.5 Ų | 168.5 | 69% | 0.686 | 86% | 0.864 | S | S | * | * | | | trans | 39.5 | 126.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 463 | T | 47.2 | Very low | 36.8 | Very low | 218 Ų | 218 | 171.5 Ų | 171.5 | 100% | 1.337 | 87% | 0.868 | S | S | * | * | | | | -136.6 | 0 | 109.4 | 47.2 | 0 | 0 | 0 | 0 | 109.4 | | |