| 1 | M | 62.4 | Low | 91 | Very high | 223 Ų | 223 | 149.7 Ų | 149.7 | 100% | 1.099 | 72% | 0.715 | S | S | * | * | | | | 0 | 127.6 | 0 | -165.5 | 79.9 | 85.8 | 0 | 0 | 108.8 | | |
| 2 | G | 84.9 | Confident | 91.6 | Very high | 65 Ų | 65 | 150.2 Ų | 150.2 | 67% | 0.67 | 72% | 0.719 | S | S | * | * | | | trans | -81.5 | 176.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 3 | R | 89.9 | Confident | 92 | Very high | 261 Ų | 261 | 144.1 Ų | 144.1 | 99% | 0.985 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 123.7 | 170.5 | -64.1 | -179.5 | -176.4 | 175.2 | 2.7 | 109.2 | | |
| 4 | K | 93.9 | Very high | 92.3 | Very high | 173 Ų | 173 | 141.6 Ų | 141.6 | 75% | 0.752 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 150.1 | 171.6 | -67 | -173.5 | 176 | -174.2 | 0 | 110.7 | | |
| 5 | K | 94.1 | Very high | 92.5 | Very high | 211 Ų | 211 | 139.7 Ų | 139.7 | 92% | 0.917 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 141.1 | 168 | -175.3 | 176.8 | 178.9 | -179.2 | 0 | 108.8 | | |
| 6 | I | 94.6 | Very high | 92.7 | Very high | 90 Ų | 90 | 137.2 Ų | 137.2 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | | | trans | -129.9 | 155.2 | 173.5 | 65.9 | 170.5 | 0 | 0 | 0 | 109.7 | I11 | I6-I11 HydrophobicContact CD1-CD1 4.49Š|
| 7 | Q | 95.9 | Very high | 93 | Very high | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 63% | 0.626 | S | S | * | * | | | trans | -70.8 | 159.8 | 172.8 | -65.2 | 178.9 | -4.7 | 0 | 0 | 111 | T9 | Q7-T9 HydrophobicContact CB-CG2 4.46Å; Q7-T9 PolarHBondContact O-N 2.98Å |
| 8 | I | 95.9 | Very high | 93.1 | Very high | 146 Ų | 146 | 129.7 Ų | 129.7 | 75% | 0.749 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -95.4 | 74 | 176.3 | -52.9 | -57.3 | 0 | 0 | 0 | 108.6 | | |
| 9 | T | 96.5 | Very high | 93.3 | Very high | 97 Ų | 97 | 124.4 Ų | 124.4 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -133.9 | 171 | 178.6 | 52.4 | 0 | 0 | 0 | 0 | 109.9 | Q7 I11 | Q7-T9 HydrophobicContact CB-CG2 4.46Å; Q7-T9 PolarHBondContact O-N 2.98Å; T9-I11 PolarHBondContact O-N 3.2Å |
| 10 | R | 96.1 | Very high | 93.4 | Very high | 180 Ų | 180 | 119.9 Ų | 119.9 | 68% | 0.679 | 57% | 0.574 | S | S | * | * | | | trans | -64.1 | 118.7 | 175.2 | -179 | 176.4 | 178.5 | 166 | -0.6 | 109.5 | M12 | R10-M12 PolarHBondContact O-N 2.95Š|
| 11 | I | 97.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 116.3 Ų | 116.3 | 24% | 0.236 | 56% | 0.556 | C | S | . | * | | | trans | -67.3 | 116 | 172.8 | -58.7 | 173.8 | 0 | 0 | 0 | 107.8 | I6 T9 N16 R17 T20 | I6-I11 HydrophobicContact CD1-CD1 4.49Å; T9-I11 PolarHBondContact O-N 3.2Å; I11-N16 HydrophobicContact CG2-CB 4.11Å; I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.38Å; I11-R17 HydrophobicContact CG2-CB 4.01Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.41Å; I11-T20 HydrophobicContact CD1-CG2 3.75Å |
| 12 | M | 97.2 | Very high | 95.3 | Very high | 155 Ų | 155 | 106.9 Ų | 106.9 | 76% | 0.764 | 51% | 0.511 | S | S | * | . | | | trans | -72.2 | -48.5 | -174.2 | -64.5 | -57.8 | -71.1 | 0 | 0 | 112.6 | R10 E14 R17 | R10-M12 PolarHBondContact O-N 2.95Å; M12-E14 PolarHBondContact O-N 2.78Å; M12-R17 PolarHBondContact O-NH1 3.21Å |
| 13 | D | 96.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 109.9 Ų | 109.9 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -60.5 | 123.8 | 174.6 | 165.3 | 36.7 | 0 | 0 | 0 | 111.6 | R15 N16 R17 | D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 3.46Å; D13-N16 HydrophobicContact CB-CB 4.45Å; D13-N16 WeakPolarHBondContact OD2-CB 3.38Å; D13-N16 VanDerWaalsContact OD2-CG 3.26Å; D13-N16 PolarHBondContact OD2-N 3.27Å; D13-N16 PolarHBondContact OD2-ND2 3.08Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.41Å |
| 14 | E | 96.4 | Very high | 96.1 | Very high | 109 Ų | 109 | 103.8 Ų | 103.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 178.5 | -162.6 | 66.9 | -105.6 | 0 | 0 | 112.3 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 2.78Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 IonicContact OE1-CZ 2.73Å; E14-R17 IonicContact OE1-NE 2.89Å; E14-R17 PolarHBondContact OE1-NE 2.8Å; E14-R17 IonicContact OE1-NH2 3.44Å; E14-R17 PolarHBondContact OE1-NH2 3.25Å; E14-R17 IonicContact OE2-CZ 2.62Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 2.97Å; E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.88Å |
| 15 | R | 96 | Very high | 96.3 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.8 | -50 | -174.1 | -172.3 | -176.7 | -67.7 | 129.2 | -3.3 | 110.6 | D13 R17 Q18 V19 Y149 | D13-R15 PolarHBondContact O-N 3.38Å; D13-R15 PolarHBondContact OD1-N 3.46Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.33Å; R15-V19 WeakPolarHBondContact O-CB 3.49Å; R15-V19 WeakPolarHBondContact O-CG2 3.24Å; R15-V19 PolarHBondContact O-N 3.27Å; R15-Y149 VanDerWaalsContact NH2-CB 3.28Å; R15-Y149 VanDerWaalsContact NH2-CG 3.32Å; R15-Y149 PolarHBondContact NH2-O 3.24Å |
| 16 | N | 95.8 | Very high | 96.5 | Very high | 99 Ų | 99 | 89.1 Ų | 89.1 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 173.8 | -80.1 | -63.2 | 0 | 0 | 0 | 112.2 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.11Å; D13-N16 HydrophobicContact CB-CB 4.45Å; D13-N16 WeakPolarHBondContact OD2-CB 3.38Å; D13-N16 VanDerWaalsContact OD2-CG 3.26Å; D13-N16 PolarHBondContact OD2-N 3.27Å; D13-N16 PolarHBondContact OD2-ND2 3.08Å; N16-T20 WeakPolarHBondContact O-CB 3.36Å; N16-T20 PolarHBondContact O-N 3.36Å; N16-T20 PolarHBondContact O-OG1 2.98Å |
| 17 | R | 96.9 | Very high | 96.6 | Very high | 43 Ų | 43 | 86.4 Ų | 86.4 | 16% | 0.162 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.9 | -50.2 | 174.7 | -176 | 167.3 | 64.8 | -116.3 | 11 | 111.4 | I11 M12 D13 E14 R15 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.01Å; I11-R17 HydrophobicContact CB-CG 4.38Å; I11-R17 HydrophobicContact CG2-CB 4.01Å; I11-R17 WeakPolarHBondContact O-CD 3.45Å; I11-R17 PolarHBondContact O-NH1 3.41Å; M12-R17 PolarHBondContact O-NH1 3.21Å; D13-R17 WeakPolarHBondContact O-CB 3.5Å; D13-R17 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 3.29Å; E14-R17 IonicContact OE1-CZ 2.73Å; E14-R17 IonicContact OE1-NE 2.89Å; E14-R17 PolarHBondContact OE1-NE 2.8Å; E14-R17 IonicContact OE1-NH2 3.44Å; E14-R17 PolarHBondContact OE1-NH2 3.25Å; E14-R17 IonicContact OE2-CZ 2.62Å; E14-R17 IonicContact OE2-NH2 3.18Å; E14-R17 PolarHBondContact OE2-NH2 2.97Å; R15-R17 VanDerWaalsContact C-N 3.31Å; R15-R17 PolarHBondContact O-N 3.44Å; R17-T20 PolarHBondContact O-N 3.18Å; R17-F21 WeakPolarHBondContact O-CB 3.28Å; R17-F21 PolarHBondContact O-N 3.24Å |
| 18 | Q | 95.9 | Very high | 96.7 | Very high | 96 Ų | 96 | 83.3 Ų | 83.3 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | -178.6 | 179.2 | 61.7 | -4.9 | 0 | 0 | 112.3 | E14 R15 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.36Å; E14-Q18 PolarHBondContact O-N 2.88Å; R15-Q18 PolarHBondContact O-N 3.33Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.43Å; Q18-F21 PolarHBondContact O-N 3.03Å; Q18-T22 PolarHBondContact O-N 3.34Å; Q18-T22 PolarHBondContact O-OG1 2.74Å; Q18-T22 VanDerWaalsContact O-OG1 3.09Å |
| 19 | V | 96.3 | Very high | 96.9 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 18% | 0.182 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | R15 K23 Y159 | R15-V19 WeakPolarHBondContact O-CB 3.49Å; R15-V19 WeakPolarHBondContact O-CG2 3.24Å; R15-V19 PolarHBondContact O-N 3.27Å; V19-K23 HydrophobicContact CG1-CD 3.82Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.32Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.42Å; V19-K23 PolarHBondContact O-N 2.84Å; V19-Y159 HydrophobicContact CG2-CE2 4.38Å |
| 20 | T | 96.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 76.5 Ų | 76.5 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 177.2 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.75Å; N16-T20 WeakPolarHBondContact O-CB 3.36Å; N16-T20 PolarHBondContact O-N 3.36Å; N16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 PolarHBondContact O-N 3.18Å; Q18-T20 VanDerWaalsContact C-N 3.33Å; Q18-T20 PolarHBondContact O-N 3.43Å; T20-K23 PolarHBondContact O-N 3.39Å; T20-R24 HydrophobicContact CG2-CG 4.04Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.21Å; T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.45Å |
| 21 | F | 97.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 74.2 Ų | 74.2 | 20% | 0.202 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59 | -55.3 | 175.6 | 175.1 | -100.1 | 0 | 0 | 0 | 110.6 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.28Å; R17-F21 PolarHBondContact O-N 3.24Å; Q18-F21 PolarHBondContact O-N 3.03Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 2.88Å; F21-R24 PolarHBondContact O-N 3.36Å; F21-K25 HydrophobicContact CE1-CD 4.21Å; F21-K25 HydrophobicContact CZ-CD 4.3Å; F21-K25 WeakPolarHBondContact O-CB 2.86Å; F21-K25 PolarHBondContact O-N 3.29Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.3Å; F21-N49 HydrophobicContact CZ-CB 3.97Å; F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.98Å; F21-F55 HydrophobicContact CE1-CZ 3.98Å; F21-F55 AromaticContact CZ-CD2 3.79Å; F21-F55 HydrophobicContact CZ-CD2 3.79Å; F21-F55 AromaticContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CG 4.47Å |
| 22 | T | 96.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 72.6 Ų | 72.6 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -52.9 | -48.6 | 178.4 | -59 | 0 | 0 | 0 | 0 | 111.5 | Q18 F26 | Q18-T22 PolarHBondContact O-N 3.34Å; Q18-T22 PolarHBondContact O-OG1 2.74Å; Q18-T22 VanDerWaalsContact O-OG1 3.09Å; T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å; T22-F26 VanDerWaalsContact O-N 3.11Å |
| 23 | K | 95.9 | Very high | 97.1 | Very high | 128 Ų | 128 | 67.8 Ų | 67.8 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.5 | -37.4 | -178.9 | -69.7 | 166 | 64.6 | -179.1 | 0 | 113.6 | V19 T20 F21 G27 Y159 | V19-K23 HydrophobicContact CG1-CD 3.82Å; V19-K23 WeakPolarHBondContact O-CB 3.47Å; V19-K23 WeakPolarHBondContact O-CD 3.32Å; V19-K23 VanDerWaalsContact O-CG 3.3Å; V19-K23 WeakPolarHBondContact O-CG 3.42Å; V19-K23 PolarHBondContact O-N 2.84Å; T20-K23 PolarHBondContact O-N 3.39Å; F21-K23 VanDerWaalsContact C-N 3.31Å; F21-K23 PolarHBondContact O-N 2.88Å; K23-G27 PolarHBondContact O-N 3.49Å; K23-Y159 HydrophobicContact CD-CE1 4.41Å |
| 24 | R | 97.7 | Very high | 97.2 | Very high | 133 Ų | 133 | 67.1 Ų | 67.1 | 50% | 0.502 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -75.7 | -40.6 | 177.9 | -75.5 | -172.3 | 175.5 | -168.4 | -2.5 | 112.1 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.04Å; T20-R24 VanDerWaalsContact O-CB 3.29Å; T20-R24 WeakPolarHBondContact O-CB 3.21Å; T20-R24 WeakPolarHBondContact O-CG 3.47Å; T20-R24 PolarHBondContact O-N 3.45Å; F21-R24 PolarHBondContact O-N 3.36Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.44Å; R24-G27 PolarHBondContact O-N 2.85Å; R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.44Å |
| 25 | K | 97.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 66.3 Ų | 66.3 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -53.6 | -51.7 | 171.8 | -175.5 | -165.1 | 74.9 | 73.4 | 0 | 110.3 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.21Å; F21-K25 HydrophobicContact CZ-CD 4.3Å; F21-K25 WeakPolarHBondContact O-CB 2.86Å; F21-K25 PolarHBondContact O-N 3.29Å; K25-L28 PolarHBondContact O-N 3.15Å; K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.31Å; K25-M29 HydrophobicContact CG-CE 3.87Å; K25-M29 HydrophobicContact CG-SD 3.86Å; K25-M29 PolarHBondContact NZ-SD 3.24Å; K25-M29 WeakPolarHBondContact O-CB 3.46Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.46Å; K25-I47 HydrophobicContact CG-CD1 4.08Å; K25-F55 HydrophobicContact CD-CB 3.91Å; K25-F55 HydrophobicContact CD-CD1 3.8Å; K25-F55 HydrophobicContact CD-CE1 4.48Å; K25-F55 HydrophobicContact CD-CG 3.88Å |
| 26 | F | 96.7 | Very high | 97.4 | Very high | 50 Ų | 50 | 61.4 Ų | 61.4 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 176.1 | -172.5 | -75.8 | 0 | 0 | 0 | 112.1 | T22 R24 L28 M29 K30 I162 F166 | T22-F26 WeakPolarHBondContact O-CB 3.47Å; T22-F26 PolarHBondContact O-N 3.03Å; T22-F26 VanDerWaalsContact O-N 3.11Å; R24-F26 VanDerWaalsContact C-N 3.33Å; R24-F26 PolarHBondContact O-N 3.44Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.11Å; F26-M29 PolarHBondContact O-N 2.86Å; F26-K30 PolarHBondContact O-N 3.33Å; F26-I162 HydrophobicContact CD2-CG2 3.93Å; F26-I162 HydrophobicContact CE2-CG2 3.52Å; F26-I162 WeakPolarHBondContact CE2-O 3.49Å; F26-I162 HydrophobicContact CZ-CG2 4.03Å; F26-F166 HydrophobicContact CD2-CB 4.3Å; F26-F166 HydrophobicContact CD2-CG 4.39Å; F26-F166 HydrophobicContact CE1-CD2 4.19Å; F26-F166 HydrophobicContact CE2-CB 3.35Å; F26-F166 AromaticContact CE2-CD2 3.91Å; F26-F166 HydrophobicContact CE2-CD2 3.91Å; F26-F166 AromaticContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CZ-CB 3.75Å; F26-F166 AromaticContact CZ-CD2 3.63Å; F26-F166 HydrophobicContact CZ-CD2 3.63Å; F26-F166 AromaticContact CZ-CG 3.93Å; F26-F166 HydrophobicContact CZ-CG 3.93Å |
| 27 | G | 98.3 | Very high | 97.5 | Very high | 34 Ų | 34 | 61 Ų | 61 | 35% | 0.351 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K23 R24 K31 | K23-G27 PolarHBondContact O-N 3.49Å; R24-G27 PolarHBondContact O-N 2.85Å; G27-K31 WeakPolarHBondContact O-CG 3.35Å; G27-K31 PolarHBondContact O-N 3.32Å; G27-K31 VanDerWaalsContact O-N 3.13Å |
| 28 | L | 98.4 | Very high | 97.6 | Very high | 90 Ų | 90 | 65.8 Ų | 65.8 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -69.8 | -44.2 | 176.8 | -174.9 | 61.5 | 0 | 0 | 0 | 111.9 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.37Å; R24-L28 PolarHBondContact O-N 3.44Å; K25-L28 PolarHBondContact O-N 3.15Å; F26-L28 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.65Å; L28-K31 PolarHBondContact O-N 3.13Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 2.91Å; L28-L45 HydrophobicContact CD2-CD1 4.07Å; L28-L45 HydrophobicContact CD2-CD2 4.04Å; L28-L45 HydrophobicContact CG-CD2 3.89Å; L28-I47 HydrophobicContact CD2-CD1 4.31Å |
| 29 | M | 98.3 | Very high | 97.7 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 5% | 0.054 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 174.7 | -72.6 | 168.7 | 165 | 0 | 0 | 111.9 | K25 F26 K31 A32 Y33 L45 F55 Y57 F166 | K25-M29 HydrophobicContact CD-CE 4.13Å; K25-M29 HydrophobicContact CD-SD 4.31Å; K25-M29 HydrophobicContact CG-CE 3.87Å; K25-M29 HydrophobicContact CG-SD 3.86Å; K25-M29 PolarHBondContact NZ-SD 3.24Å; K25-M29 WeakPolarHBondContact O-CB 3.46Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.48Å; K25-M29 PolarHBondContact O-N 3.46Å; F26-M29 PolarHBondContact O-N 2.86Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.78Å; M29-A32 PolarHBondContact O-N 2.92Å; M29-Y33 PolarHBondContact O-N 2.8Å; M29-L45 HydrophobicContact CG-CD2 4.07Å; M29-F55 HydrophobicContact CE-CB 4.47Å; M29-Y57 HydrophobicContact CB-CD2 4.37Å; M29-Y57 HydrophobicContact CG-CD2 4.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å; M29-F166 HydrophobicContact CB-CE1 4.31Å; M29-F166 HydrophobicContact CB-CZ 4.2Å |
| 30 | K | 98.3 | Very high | 97.7 | Very high | 89 Ų | 89 | 71.1 Ų | 71.1 | 39% | 0.387 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | 173.5 | -166.5 | -175.8 | -172.1 | -58 | 0 | 112 | F26 L28 Y33 E34 F166 | F26-K30 PolarHBondContact O-N 3.33Å; L28-K30 VanDerWaalsContact C-N 3.35Å; L28-K30 PolarHBondContact O-N 2.65Å; K30-Y33 PolarHBondContact O-N 3.33Å; K30-E34 IonicContact NZ-OE1 2.86Å; K30-E34 PolarHBondContact NZ-OE1 3.24Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 2.86Å; K30-F166 HydrophobicContact CB-CE2 4.19Å; K30-F166 HydrophobicContact CG-CE2 4.44Å |
| 31 | K | 98.5 | Very high | 97.7 | Very high | 131 Ų | 131 | 72.1 Ų | 72.1 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -71.9 | -36.2 | 176.4 | -71.8 | -145.2 | 148.2 | -64.3 | 0 | 113.7 | G27 L28 M29 Y33 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.35Å; G27-K31 PolarHBondContact O-N 3.32Å; G27-K31 VanDerWaalsContact O-N 3.13Å; L28-K31 PolarHBondContact O-N 3.13Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.3Å; M29-K31 PolarHBondContact O-N 2.78Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; K31-E34 IonicContact NZ-OE2 2.72Å; K31-E34 PolarHBondContact NZ-OE2 2.61Å; K31-L35 WeakPolarHBondContact O-CB 3.21Å; K31-L35 PolarHBondContact O-N 3.02Å |
| 32 | A | 98.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 74.2 Ų | 74.2 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 2.91Å; M29-A32 PolarHBondContact O-N 2.92Å; A32-L35 PolarHBondContact O-N 2.88Å; A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.99Å; A32-S36 PolarHBondContact O-OG 2.81Å; A32-I43 HydrophobicContact CB-CG2 4.1Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.59Å |
| 33 | Y | 97.9 | Very high | 97.7 | Very high | 55 Ų | 55 | 74.7 Ų | 74.7 | 22% | 0.216 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.4 | -53.1 | 173.3 | 178.6 | -99.7 | 0 | 0 | 0 | 112.7 | M29 K30 K31 L35 S36 V37 Y57 M170 | M29-Y33 PolarHBondContact O-N 2.8Å; K30-Y33 PolarHBondContact O-N 3.33Å; K31-Y33 VanDerWaalsContact C-N 3.34Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.49Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.87Å; Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 4.27Å; Y33-V37 HydrophobicContact CE2-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.69Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.47Å; Y33-Y57 PolarHBondContact N-OH 3.48Å; Y33-M170 HydrophobicContact CD2-CE 4.06Å; Y33-M170 HydrophobicContact CD2-SD 3.82Å; Y33-M170 HydrophobicContact CE2-SD 4.29Å; Y33-M170 HydrophobicContact CG-SD 4.25Å |
| 34 | E | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 70.5 Ų | 70.5 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -49.6 | -48.7 | 175 | -75.7 | 164.2 | -175.8 | 0 | 0 | 111.6 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 2.86Å; K30-E34 PolarHBondContact NZ-OE1 3.24Å; K30-E34 WeakPolarHBondContact O-CB 3.35Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.33Å; K30-E34 PolarHBondContact O-N 2.86Å; K31-E34 IonicContact NZ-OE2 2.72Å; K31-E34 PolarHBondContact NZ-OE2 2.61Å; E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.18Å; E34-L38 WeakPolarHBondContact O-CD1 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.89Å |
| 35 | L | 98.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 48% | 0.482 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.9 | -43.3 | -179.1 | -175.9 | 60.9 | 0 | 0 | 0 | 112.7 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.21Å; K31-L35 PolarHBondContact O-N 3.02Å; A32-L35 PolarHBondContact O-N 2.88Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.49Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.21Å; L35-L38 PolarHBondContact O-N 3.07Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 WeakPolarHBondContact O-CB 3.28Å; L35-C39 PolarHBondContact O-N 3.09Å; L35-C39 VanDerWaalsContact O-N 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.99Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.91Å |
| 36 | S | 97.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 68.4 Ų | 68.4 | 7% | 0.07 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -38.7 | 178.6 | 61 | 0 | 0 | 0 | 0 | 112.9 | A32 Y33 D40 C41 S59 | A32-S36 WeakPolarHBondContact O-CB 3.43Å; A32-S36 PolarHBondContact O-N 2.99Å; A32-S36 PolarHBondContact O-OG 2.81Å; Y33-S36 WeakPolarHBondContact CA-OG 3.47Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.87Å; S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.14Å; S36-D40 VanDerWaalsContact O-N 3.14Å; S36-C41 WeakPolarHBondContact CA-O 3.22Å; S36-C41 WeakPolarHBondContact CB-O 3.5Å; S36-C41 PolarHBondContact O-N 3.28Å; S36-S59 WeakPolarHBondContact OG-CB 3.29Å |
| 37 | V | 97.5 | Very high | 97.9 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -79.5 | -37.7 | 180 | 176.2 | 0 | 0 | 0 | 0 | 112.3 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.22Å; Y33-V37 HydrophobicContact CE1-CG2 4.27Å; Y33-V37 HydrophobicContact CE2-CG2 3.82Å; Y33-V37 WeakPolarHBondContact O-CG2 3.44Å; Y33-V37 PolarHBondContact O-N 2.69Å; L35-V37 VanDerWaalsContact C-N 3.31Å; L35-V37 PolarHBondContact O-N 3.21Å |
| 38 | L | 98.5 | Very high | 97.9 | Very high | 143 Ų | 143 | 72 Ų | 72 | 75% | 0.749 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -76.7 | -22.1 | -177.9 | -70.9 | 170.7 | 0 | 0 | 0 | 113.8 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.28Å; E34-L38 WeakPolarHBondContact O-CB 3.18Å; E34-L38 WeakPolarHBondContact O-CD1 3.26Å; E34-L38 WeakPolarHBondContact O-CG 3.34Å; E34-L38 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.07Å |
| 39 | C | 98.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 51% | 0.514 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 11 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 113.8 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 WeakPolarHBondContact O-CB 3.28Å; L35-C39 PolarHBondContact O-N 3.09Å; L35-C39 VanDerWaalsContact O-N 3.09Å; C39-C41 VanDerWaalsContact C-N 3.3Å; C39-C41 PolarHBondContact O-N 3.46Å; C39-C41 PolarHBondContact O-SG 3.39Å |
| 40 | D | 97.1 | Very high | 97.5 | Very high | 162 Ų | 162 | 72.8 Ų | 72.8 | 87% | 0.866 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 48.1 | -176 | -158.3 | 24.7 | 0 | 0 | 0 | 113.3 | S36 | S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.14Å; S36-D40 VanDerWaalsContact O-N 3.14Å |
| 41 | C | 95.9 | Very high | 97.3 | Very high | 53 Ų | 53 | 73 Ų | 73 | 36% | 0.358 | 40% | 0.401 | S | S | . | . | | | trans | -108.2 | 128.8 | -170.5 | -74 | 0 | 0 | 0 | 0 | 112.5 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.22Å; S36-C41 WeakPolarHBondContact CB-O 3.5Å; S36-C41 PolarHBondContact O-N 3.28Å; C39-C41 VanDerWaalsContact C-N 3.3Å; C39-C41 PolarHBondContact O-N 3.46Å; C39-C41 PolarHBondContact O-SG 3.39Å; C41-I43 HydrophobicContact CB-CD1 4.34Å; C41-I43 HydrophobicContact CB-CG1 4.26Å; C41-I43 PolarHBondContact O-N 3.17Å; C41-S59 PolarHBondContact O-OG 3.32Å |
| 42 | E | 96.7 | Very high | 97.2 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 42% | 0.421 | 41% | 0.408 | S | S | . | . | | | trans | -74.4 | 122.6 | 167.9 | -67.2 | -170.9 | 120.8 | 0 | 0 | 110.3 | V65 K68 | E42-V65 HydrophobicContact CB-CG2 4.18Å; E42-K68 WeakPolarHBondContact OE2-CD 3.44Å; E42-K68 IonicContact OE2-NZ 3.15Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å |
| 43 | I | 97.6 | Very high | 97.1 | Very high | 34 Ų | 34 | 78.8 Ų | 78.8 | 17% | 0.174 | 43% | 0.43 | C | S | . | . | | | trans | -134.9 | 121.5 | -175.6 | -60.5 | 175.8 | 0 | 0 | 0 | 108.9 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.1Å; L35-I43 HydrophobicContact CB-CD1 3.99Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.91Å; C41-I43 HydrophobicContact CB-CD1 4.34Å; C41-I43 HydrophobicContact CB-CG1 4.26Å; C41-I43 PolarHBondContact O-N 3.17Å; I43-A58 CarbonylContact O-C 3.57Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.27Å; I43-S59 PolarHBondContact N-OG 3.09Å; I43-S59 PolarHBondContact O-N 3.06Å |
| 44 | A | 97.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 79.7 Ų | 79.7 | 33% | 0.331 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 143.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | M62 V65 | A44-M62 HydrophobicContact CB-CE 4.46Å; A44-M62 HydrophobicContact CB-SD 3.9Å; A44-V65 HydrophobicContact CB-CB 4.18Å; A44-V65 HydrophobicContact CB-CG1 3.61Å |
| 45 | L | 98.1 | Very high | 97.1 | Very high | 33 Ų | 33 | 79.4 Ų | 79.4 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 118.5 | 178.7 | 171.2 | 63.7 | 0 | 0 | 0 | 109 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.07Å; L28-L45 HydrophobicContact CD2-CD2 4.04Å; L28-L45 HydrophobicContact CG-CD2 3.89Å; M29-L45 HydrophobicContact CG-CD2 4.07Å; L45-I47 HydrophobicContact CD1-CD1 4.22Å; L45-I47 HydrophobicContact CD1-CG1 4.05Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.21Å; L45-Q56 CarbonylContact O-C 3.53Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.36Å; L45-Y57 HydrophobicContact CB-CD1 4.24Å; L45-Y57 PolarHBondContact N-O 3.28Å; L45-Y57 PolarHBondContact O-N 2.9Å |
| 46 | I | 98.1 | Very high | 97 | Very high | 83 Ų | 83 | 79.9 Ų | 79.9 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.9 | -179.1 | -67.9 | 174.7 | 0 | 0 | 0 | 108.5 | F48 L54 M62 L66 | I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 HydrophobicContact CG2-CE2 3.61Å; I46-F48 HydrophobicContact CG2-CZ 4.31Å; I46-L54 HydrophobicContact CG2-CD1 3.8Å; I46-M62 HydrophobicContact CD1-SD 4.44Å; I46-M62 HydrophobicContact CG1-CE 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.42Å; I46-L66 HydrophobicContact CD1-CD2 4.23Å |
| 47 | I | 98.3 | Very high | 97 | Very high | 30 Ų | 30 | 80 Ų | 80 | 15% | 0.154 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 114.2 | -178.7 | -57.1 | 171.5 | 0 | 0 | 0 | 108.9 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; K25-I47 HydrophobicContact CG-CD1 4.08Å; L28-I47 HydrophobicContact CD2-CD1 4.31Å; L45-I47 HydrophobicContact CD1-CD1 4.22Å; L45-I47 HydrophobicContact CD1-CG1 4.05Å; L45-I47 HydrophobicContact CD2-CD1 4.19Å; L45-I47 HydrophobicContact CG-CD1 4.15Å; L45-I47 HydrophobicContact CG-CG1 4.21Å; I47-F55 HydrophobicContact CB-CB 4.46Å; I47-F55 PolarHBondContact N-O 3.17Å; I47-F55 PolarHBondContact O-N 3.43Å |
| 48 | F | 98 | Very high | 97 | Very high | 129 Ų | 129 | 76.6 Ų | 76.6 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 137.4 | 164.4 | -64.4 | -84.5 | 0 | 0 | 0 | 109.6 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.11Å; I46-F48 HydrophobicContact CG2-CE2 3.61Å; I46-F48 HydrophobicContact CG2-CZ 4.31Å; F48-L54 HydrophobicContact CD1-CB 4.19Å; F48-L54 HydrophobicContact CD1-CD1 4.42Å; F48-L54 HydrophobicContact CE1-CB 3.88Å; F48-L54 HydrophobicContact CE1-CD1 3.97Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å |
| 49 | N | 94.8 | Very high | 96.9 | Very high | 29 Ų | 29 | 71.3 Ų | 71.3 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | | | trans | -86.5 | 176.9 | 168.6 | 84.5 | -22.1 | 0 | 0 | 0 | 111.2 | F21 S51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.4Å; F21-N49 HydrophobicContact CE2-CB 4.3Å; F21-N49 HydrophobicContact CZ-CB 3.97Å; N49-S51 PolarHBondContact ND2-OG 3.03Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 VanDerWaalsContact OD1-C 3.32Å; N49-S51 WeakPolarHBondContact OD1-CA 3.44Å; N49-S51 WeakPolarHBondContact OD1-CB 3.43Å; N49-S51 PolarHBondContact OD1-N 3.35Å; N49-N52 PolarHBondContact O-N 3.35Å; N49-N52 PolarHBondContact OD1-N 3.36Å; N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 VanDerWaalsContact N-O 3.1Å; N49-K53 WeakPolarHBondContact OD1-CB 3.08Å; N49-K53 PolarHBondContact OD1-N 3.28Å; N49-F55 HydrophobicContact CB-CE2 4.15Å |
| 50 | S | 93.7 | Very high | 96.7 | Very high | 89 Ų | 89 | 70.7 Ų | 70.7 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 1.8 | 176.2 | 53 | 0 | 0 | 0 | 0 | 115.3 | | |
| 51 | S | 94.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 65.8 Ų | 65.8 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.2 | 14.9 | 173.1 | -40.5 | 0 | 0 | 0 | 0 | 111.3 | N49 K53 | N49-S51 PolarHBondContact ND2-OG 3.03Å; N49-S51 PolarHBondContact O-N 3.22Å; N49-S51 VanDerWaalsContact OD1-C 3.32Å; N49-S51 WeakPolarHBondContact OD1-CA 3.44Å; N49-S51 WeakPolarHBondContact OD1-CB 3.43Å; N49-S51 PolarHBondContact OD1-N 3.35Å; S51-K53 PolarHBondContact O-N 3.42Å |
| 52 | N | 95.4 | Very high | 96.7 | Very high | 137 Ų | 137 | 64 Ų | 64 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | | | trans | 56 | 16.6 | -173.8 | -58.7 | -18.9 | 0 | 0 | 0 | 115 | N49 L54 | N49-N52 PolarHBondContact O-N 3.35Å; N49-N52 PolarHBondContact OD1-N 3.36Å; N52-L54 PolarHBondContact O-N 2.98Å |
| 53 | K | 97.3 | Very high | 96.7 | Very high | 129 Ų | 129 | 65.5 Ų | 65.5 | 56% | 0.561 | 36% | 0.356 | S | S | * | . | | | trans | -74.3 | 120.3 | 173.5 | -177 | 169.3 | -179.6 | 167.4 | 0 | 109.6 | N49 S51 F55 | N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 VanDerWaalsContact N-O 3.1Å; N49-K53 WeakPolarHBondContact OD1-CB 3.08Å; N49-K53 PolarHBondContact OD1-N 3.28Å; S51-K53 PolarHBondContact O-N 3.42Å; K53-F55 HydrophobicContact CB-CE2 4.08Å; K53-F55 HydrophobicContact CD-CE2 4.12Å; K53-F55 HydrophobicContact CD-CZ 3.8Å; K53-F55 HydrophobicContact CG-CD2 4.46Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å |
| 54 | L | 97.5 | Very high | 96.6 | Very high | 73 Ų | 73 | 70.6 Ų | 70.6 | 38% | 0.382 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 135.2 | 173.2 | 178.2 | 57.3 | 0 | 0 | 0 | 111.3 | I46 F48 N52 Q56 | I46-L54 HydrophobicContact CG2-CD1 3.8Å; F48-L54 HydrophobicContact CD1-CB 4.19Å; F48-L54 HydrophobicContact CD1-CD1 4.42Å; F48-L54 HydrophobicContact CE1-CB 3.88Å; F48-L54 HydrophobicContact CE1-CD1 3.97Å; F48-L54 HydrophobicContact CE1-CG 4.38Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å; N52-L54 PolarHBondContact O-N 2.98Å; L54-Q56 HydrophobicContact CD1-CB 4.33Å |
| 55 | F | 97.8 | Very high | 96.5 | Very high | 51 Ų | 51 | 69.6 Ų | 69.6 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.6 | 163 | -58.7 | -96.6 | 0 | 0 | 0 | 107.6 | F21 K25 M29 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.08Å; F21-F55 AromaticContact CE1-CE2 3.72Å; F21-F55 HydrophobicContact CE1-CE2 3.72Å; F21-F55 AromaticContact CE1-CZ 3.98Å; F21-F55 HydrophobicContact CE1-CZ 3.98Å; F21-F55 AromaticContact CZ-CD2 3.79Å; F21-F55 HydrophobicContact CZ-CD2 3.79Å; F21-F55 AromaticContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CE2 3.82Å; F21-F55 HydrophobicContact CZ-CG 4.47Å; K25-F55 HydrophobicContact CD-CB 3.91Å; K25-F55 HydrophobicContact CD-CD1 3.8Å; K25-F55 HydrophobicContact CD-CE1 4.48Å; K25-F55 HydrophobicContact CD-CG 3.88Å; M29-F55 HydrophobicContact CE-CB 4.47Å; I47-F55 HydrophobicContact CB-CB 4.46Å; I47-F55 PolarHBondContact N-O 3.17Å; I47-F55 PolarHBondContact O-N 3.43Å; N49-F55 HydrophobicContact CB-CE2 4.15Å; K53-F55 HydrophobicContact CB-CE2 4.08Å; K53-F55 HydrophobicContact CD-CE2 4.12Å; K53-F55 HydrophobicContact CD-CZ 3.8Å; K53-F55 HydrophobicContact CG-CD2 4.46Å; K53-F55 HydrophobicContact CG-CE2 3.83Å; K53-F55 HydrophobicContact CG-CZ 4.02Å; K53-F55 WeakPolarHBondContact O-CD2 3.38Å |
| 56 | Q | 97.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 158.2 | -173.2 | 80.3 | -164.6 | 60 | 0 | 0 | 112.4 | L45 L54 M62 | L45-Q56 CarbonylContact O-C 3.53Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.36Å; L54-Q56 HydrophobicContact CD1-CB 4.33Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.89Å |
| 57 | Y | 97.8 | Very high | 96.3 | Very high | 14 Ų | 14 | 72.1 Ų | 72.1 | 6% | 0.055 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 140.2 | 173.2 | 164.8 | -80.5 | 0 | 0 | 0 | 108.7 | M29 A32 Y33 L45 S59 M62 M170 | M29-Y57 HydrophobicContact CB-CD2 4.37Å; M29-Y57 HydrophobicContact CG-CD2 4.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.59Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.47Å; Y33-Y57 PolarHBondContact N-OH 3.48Å; L45-Y57 HydrophobicContact CB-CD1 4.24Å; L45-Y57 PolarHBondContact N-O 3.28Å; L45-Y57 PolarHBondContact O-N 2.9Å; Y57-S59 WeakPolarHBondContact OH-CA 3.48Å; Y57-M62 WeakPolarHBondContact O-CE 3.21Å; Y57-M170 HydrophobicContact CD2-CE 4.4Å; Y57-M170 HydrophobicContact CE2-CE 3.62Å; Y57-M170 HydrophobicContact CE2-SD 4.1Å |
| 58 | A | 97.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 74.9 Ų | 74.9 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 145.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | I43 M62 | I43-A58 CarbonylContact O-C 3.57Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.27Å; A58-M62 HydrophobicContact CB-CB 4.33Å; A58-M62 HydrophobicContact CB-CE 4.07Å |
| 59 | S | 96.2 | Very high | 95.9 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 22% | 0.224 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -69.7 | -35.2 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 112.3 | S36 C41 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.29Å; C41-S59 PolarHBondContact O-OG 3.32Å; I43-S59 PolarHBondContact N-OG 3.09Å; I43-S59 PolarHBondContact O-N 3.06Å; Y57-S59 WeakPolarHBondContact OH-CA 3.48Å |
| 60 | T | 94.2 | Very high | 95.8 | Very high | 63 Ų | 63 | 80 Ų | 80 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -110.3 | -79.6 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | K174 | T60-K174 PolarHBondContact O-NZ 3.24Š|
| 61 | D | 95.4 | Very high | 95.7 | Very high | 60 Ų | 60 | 81.7 Ų | 81.7 | 32% | 0.321 | 42% | 0.416 | S | S | . | . | | | trans | -149.6 | 138.9 | -177.1 | -173.2 | -92.9 | 0 | 0 | 0 | 109.9 | D63 K64 V65 | D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D61-K64 HydrophobicContact CB-CB 4.22Å; D61-K64 HydrophobicContact CB-CD 4.02Å; D61-K64 HydrophobicContact CB-CG 4.06Å; D61-K64 PolarHBondContact OD1-N 3.02Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 3.12Å |
| 62 | M | 97.3 | Very high | 95.4 | Very high | 16 Ų | 16 | 84.8 Ų | 84.8 | 8% | 0.079 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -69.7 | -46 | -172.9 | -176.6 | 62.4 | 66 | 0 | 0 | 111.7 | A44 I46 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.46Å; A44-M62 HydrophobicContact CB-SD 3.9Å; I46-M62 HydrophobicContact CD1-SD 4.44Å; I46-M62 HydrophobicContact CG1-CE 4.46Å; I46-M62 HydrophobicContact CG1-SD 4.42Å; Q56-M62 HydrophobicContact CB-CE 3.71Å; Q56-M62 HydrophobicContact CG-CE 3.89Å; Y57-M62 WeakPolarHBondContact O-CE 3.21Å; A58-M62 HydrophobicContact CB-CB 4.33Å; A58-M62 HydrophobicContact CB-CE 4.07Å; M62-K64 VanDerWaalsContact C-N 3.3Å; M62-K64 PolarHBondContact O-N 2.85Å; M62-V65 PolarHBondContact O-N 3.15Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.24Å; M62-L66 WeakPolarHBondContact O-CB 3.48Å; M62-L66 WeakPolarHBondContact O-CG 3.47Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.97Å; M62-L66 HydrophobicContact SD-CG 4.04Å |
| 63 | D | 96.4 | Very high | 94.3 | Very high | 120 Ų | 120 | 86.4 Ų | 86.4 | 64% | 0.642 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -71.5 | -33.1 | -170.5 | -56.7 | -26.1 | 0 | 0 | 0 | 110.1 | D61 L67 | D61-D63 PolarHBondContact OD1-N 2.94Å; D61-D63 VanDerWaalsContact OD1-N 3.13Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 2.89Å |
| 64 | K | 95.7 | Very high | 93.7 | Very high | 142 Ų | 142 | 88 Ų | 88 | 62% | 0.617 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -63.8 | -46.1 | 171.2 | -64.4 | -173.5 | -176.9 | -176.6 | 0 | 113.2 | D61 M62 L66 L67 K68 | D61-K64 HydrophobicContact CB-CB 4.22Å; D61-K64 HydrophobicContact CB-CD 4.02Å; D61-K64 HydrophobicContact CB-CG 4.06Å; D61-K64 PolarHBondContact OD1-N 3.02Å; M62-K64 VanDerWaalsContact C-N 3.3Å; M62-K64 PolarHBondContact O-N 2.85Å; K64-L66 VanDerWaalsContact C-N 3.35Å; K64-L67 PolarHBondContact O-N 3.41Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 2.85Å |
| 65 | V | 95.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 87.7 Ų | 87.7 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | -179.1 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.18Å; A44-V65 HydrophobicContact CB-CB 4.18Å; A44-V65 HydrophobicContact CB-CG1 3.61Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 3.12Å; M62-V65 PolarHBondContact O-N 3.15Å; V65-Y69 WeakPolarHBondContact O-CB 3.36Å; V65-Y69 PolarHBondContact O-N 2.99Å |
| 66 | L | 95.9 | Very high | 93 | Very high | 67 Ų | 67 | 94.7 Ų | 94.7 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -70.6 | -41.9 | 173.4 | -69.6 | 177.7 | 0 | 0 | 0 | 112.8 | I46 M62 K64 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.23Å; M62-L66 HydrophobicContact CG-CD1 3.76Å; M62-L66 HydrophobicContact CG-CG 4.24Å; M62-L66 WeakPolarHBondContact O-CB 3.48Å; M62-L66 WeakPolarHBondContact O-CG 3.47Å; M62-L66 PolarHBondContact O-N 3.04Å; M62-L66 HydrophobicContact SD-CD1 3.97Å; M62-L66 HydrophobicContact SD-CG 4.04Å; K64-L66 VanDerWaalsContact C-N 3.35Å; L66-Y69 WeakPolarHBondContact O-CB 3.5Å; L66-Y69 PolarHBondContact O-N 2.99Å; L66-T70 PolarHBondContact O-N 3.34Å; L66-T70 PolarHBondContact O-OG1 2.89Å |
| 67 | L | 95.2 | Very high | 92.8 | Very high | 101 Ų | 101 | 95.5 Ų | 95.5 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.5 | -49.9 | 174.4 | 177.3 | 61.9 | 0 | 0 | 0 | 110.6 | D63 K64 Y69 T70 E71 | D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 2.89Å; K64-L67 PolarHBondContact O-N 3.41Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.99Å; L67-T70 WeakPolarHBondContact O-CA 3.36Å; L67-T70 PolarHBondContact O-N 3.2Å; L67-T70 PolarHBondContact O-OG1 2.82Å; L67-E71 WeakPolarHBondContact O-CG 3.43Å; L67-E71 PolarHBondContact O-N 2.94Å |
| 68 | K | 93.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 98.7 Ų | 98.7 | 38% | 0.383 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -41.2 | 173.7 | -177.5 | 172.5 | 175.9 | 174.8 | 0 | 112 | E42 K64 T70 E71 Y72 | E42-K68 WeakPolarHBondContact OE2-CD 3.44Å; E42-K68 IonicContact OE2-NZ 3.15Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å; K64-K68 WeakPolarHBondContact O-CB 3.29Å; K64-K68 PolarHBondContact O-N 2.85Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.72Å; K68-E71 PolarHBondContact O-N 3.04Å; K68-Y72 HydrophobicContact CG-CD2 4.35Å; K68-Y72 HydrophobicContact CG-CE2 4.1Å; K68-Y72 VanDerWaalsContact O-CD2 3.29Å; K68-Y72 WeakPolarHBondContact O-CD2 3.24Å; K68-Y72 PolarHBondContact O-N 2.93Å |
| 69 | Y | 93.9 | Very high | 92.5 | Very high | 160 Ų | 160 | 103.8 Ų | 103.8 | 63% | 0.627 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.8 | -38 | 174.1 | 177.4 | -92.3 | 0 | 0 | 0 | 112.4 | V65 L66 L67 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.36Å; V65-Y69 PolarHBondContact O-N 2.99Å; L66-Y69 WeakPolarHBondContact O-CB 3.5Å; L66-Y69 PolarHBondContact O-N 2.99Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 2.99Å; Y69-Y72 PolarHBondContact O-N 3.41Å |
| 70 | T | 93.3 | Very high | 92.5 | Very high | 106 Ų | 106 | 105.7 Ų | 105.7 | 65% | 0.65 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -75.4 | -17.9 | 176.1 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 3.34Å; L66-T70 PolarHBondContact O-OG1 2.89Å; L67-T70 WeakPolarHBondContact O-CA 3.36Å; L67-T70 PolarHBondContact O-N 3.2Å; L67-T70 PolarHBondContact O-OG1 2.82Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.72Å |
| 71 | E | 91.9 | Very high | 92.6 | Very high | 124 Ų | 124 | 109.2 Ų | 109.2 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79.3 | -21.8 | 173.9 | -70.2 | 169 | 179.5 | 0 | 0 | 112.6 | L67 K68 | L67-E71 WeakPolarHBondContact O-CG 3.43Å; L67-E71 PolarHBondContact O-N 2.94Å; K68-E71 PolarHBondContact O-N 3.04Å |
| 72 | Y | 86.9 | Confident | 92.6 | Very high | 157 Ų | 157 | 110.7 Ų | 110.7 | 62% | 0.616 | 55% | 0.553 | S | S | * | * | | | trans | -93.1 | 112.3 | 178 | -81.7 | -109.4 | 0 | 0 | 0 | 111.1 | K68 Y69 E74 | K68-Y72 HydrophobicContact CG-CD2 4.35Å; K68-Y72 HydrophobicContact CG-CE2 4.1Å; K68-Y72 VanDerWaalsContact O-CD2 3.29Å; K68-Y72 WeakPolarHBondContact O-CD2 3.24Å; K68-Y72 PolarHBondContact O-N 2.93Å; Y69-Y72 PolarHBondContact O-N 3.41Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.39Å |
| 73 | N | 73.6 | Confident | 92.5 | Very high | 171 Ų | 171 | 112.1 Ų | 112.1 | 91% | 0.914 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -65.3 | -25.1 | -175.5 | -68 | -84.6 | 0 | 0 | 0 | 114.7 | | |
| 74 | E | 85.1 | Confident | 92.4 | Very high | 163 Ų | 163 | 110.5 Ų | 110.5 | 76% | 0.762 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -146.7 | 136.1 | 177.5 | -168 | 176.2 | -166.3 | 0 | 0 | 111.3 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.39Å |
| 75 | P | 89.6 | Confident | 92.4 | Very high | 66 Ų | 66 | 108.3 Ų | 108.3 | 43% | 0.429 | 55% | 0.55 | S | S | . | . | | | trans | -76.4 | 128.7 | 174.6 | 30.4 | -34.7 | 0 | 0 | 0 | 111.9 | E77 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.21Å |
| 76 | H | 89.2 | Confident | 92.2 | Very high | 199 Ų | 199 | 111.9 Ų | 111.9 | 92% | 0.921 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -57.1 | -34.8 | 179.8 | 178.6 | 64.2 | 0 | 0 | 0 | 114.4 | | |
| 77 | E | 93.8 | Very high | 92.1 | Very high | 119 Ų | 119 | 114.6 Ų | 114.6 | 56% | 0.556 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -135 | 124.7 | 165.2 | -176.1 | 176.1 | -162.4 | 0 | 0 | 108.7 | P75 R79 | P75-E77 VanDerWaalsContact C-N 3.27Å; P75-E77 PolarHBondContact O-N 3.21Å; E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 IonicContact OE1-CZ 2.72Å; E77-R79 IonicContact OE1-NE 3.59Å; E77-R79 PolarHBondContact OE1-NE 3.4Å; E77-R79 IonicContact OE1-NH2 3.29Å; E77-R79 PolarHBondContact OE1-NH2 2.81Å |
| 78 | S | 93.8 | Very high | 91.9 | Very high | 80 Ų | 80 | 115.7 Ų | 115.7 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | | | trans | -109.9 | 142.4 | 169.5 | -173 | 0 | 0 | 0 | 0 | 109.9 | | |
| 79 | R | 95.4 | Very high | 91.8 | Very high | 127 Ų | 127 | 118.3 Ų | 118.3 | 48% | 0.479 | 59% | 0.587 | S | S | . | * | | | trans | -142.6 | 130.5 | 179.8 | -68.4 | -62.9 | 176.5 | -151.8 | -11.4 | 111.9 | E77 D83 | E77-R79 HydrophobicContact CG-CG 4.17Å; E77-R79 IonicContact OE1-CZ 2.72Å; E77-R79 IonicContact OE1-NE 3.59Å; E77-R79 PolarHBondContact OE1-NE 3.4Å; E77-R79 IonicContact OE1-NH2 3.29Å; E77-R79 PolarHBondContact OE1-NH2 2.81Å; R79-D83 WeakPolarHBondContact CD-OD1 3.44Å; R79-D83 IonicContact CZ-OD1 2.87Å; R79-D83 IonicContact NH1-OD1 2.84Å; R79-D83 PolarHBondContact NH1-OD1 3.06Å |
| 80 | T | 97.2 | Very high | 91.4 | Very high | 72 Ų | 72 | 113.5 Ų | 113.5 | 44% | 0.442 | 57% | 0.573 | S | S | . | * | | | trans | -105 | 175.3 | 174.9 | 73.9 | 0 | 0 | 0 | 0 | 111.2 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 WeakPolarHBondContact OG1-CB 3.46Å; T80-S82 PolarHBondContact OG1-N 3.47Å; T80-D83 WeakPolarHBondContact CB-OD2 3.49Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.29Å; T80-I84 WeakPolarHBondContact O-CG1 3.29Å; T80-I84 PolarHBondContact O-N 3.36Å |
| 81 | N | 95.8 | Very high | 90.8 | Very high | 136 Ų | 136 | 116.1 Ų | 116.1 | 73% | 0.727 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -58.2 | -31.9 | 170.9 | -69.9 | -11 | 0 | 0 | 0 | 112.2 | I84 V85 | N81-I84 PolarHBondContact O-N 3.45Å; N81-V85 WeakPolarHBondContact O-CB 3.37Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.36Å; N81-V85 PolarHBondContact O-N 2.97Å |
| 82 | S | 95.9 | Very high | 89.3 | Confident | 91 Ų | 91 | 113 Ų | 113 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66 | -48.8 | 179.9 | -55.2 | 0 | 0 | 0 | 0 | 111.5 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 WeakPolarHBondContact OG1-CB 3.46Å; T80-S82 PolarHBondContact OG1-N 3.47Å; S82-I84 PolarHBondContact O-N 3.1Å; S82-V85 PolarHBondContact O-N 3.46Å; S82-E86 PolarHBondContact O-N 2.89Å |
| 83 | D | 95 | Very high | 87.7 | Confident | 46 Ų | 46 | 111.9 Ų | 111.9 | 25% | 0.246 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -54.4 | -42.2 | 175.2 | -59.7 | -109.9 | 0 | 0 | 0 | 112.2 | R79 T80 K87 | R79-D83 WeakPolarHBondContact CD-OD1 3.44Å; R79-D83 IonicContact CZ-OD1 2.87Å; R79-D83 IonicContact NH1-OD1 2.84Å; R79-D83 PolarHBondContact NH1-OD1 3.06Å; T80-D83 WeakPolarHBondContact CB-OD2 3.49Å; T80-D83 PolarHBondContact N-OD2 2.92Å; T80-D83 PolarHBondContact O-N 3.25Å; T80-D83 PolarHBondContact OG1-OD2 3.29Å; D83-K87 WeakPolarHBondContact O-CB 3.2Å; D83-K87 PolarHBondContact O-N 3.38Å |
| 84 | I | 94.4 | Very high | 86.7 | Confident | 87 Ų | 87 | 109.7 Ų | 109.7 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.7 | -43 | -176.5 | -63.9 | 166.5 | 0 | 0 | 0 | 110 | T80 N81 S82 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.29Å; T80-I84 PolarHBondContact O-N 3.36Å; N81-I84 PolarHBondContact O-N 3.45Å; S82-I84 PolarHBondContact O-N 3.1Å; I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.02Å; I84-L88 WeakPolarHBondContact O-CD1 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.13Å |
| 85 | V | 94.1 | Very high | 85 | Confident | 95 Ų | 95 | 108.8 Ų | 108.8 | 58% | 0.576 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -64.8 | -42.4 | 176.7 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | N81 S82 L88 R89 | N81-V85 WeakPolarHBondContact O-CB 3.37Å; N81-V85 VanDerWaalsContact O-CG2 3.3Å; N81-V85 WeakPolarHBondContact O-CG2 3.36Å; N81-V85 PolarHBondContact O-N 2.97Å; S82-V85 PolarHBondContact O-N 3.46Å; V85-L88 PolarHBondContact O-N 2.94Å; V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 2.79Å |
| 86 | E | 93.4 | Very high | 82.9 | Confident | 95 Ų | 95 | 111.2 Ų | 111.2 | 44% | 0.444 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.3 | -49 | 175 | 172.7 | 152.4 | -132.5 | 0 | 0 | 112.1 | S82 L88 R89 N90 | S82-E86 PolarHBondContact O-N 2.89Å; E86-L88 PolarHBondContact O-N 2.71Å; E86-R89 PolarHBondContact O-N 3.37Å; E86-R89 IonicContact OE1-NH2 2.61Å; E86-R89 PolarHBondContact OE1-NH2 3.09Å; E86-N90 WeakPolarHBondContact CG-ND2 3.35Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-OD1 3.36Å; E86-N90 PolarHBondContact OE1-ND2 3.11Å |
| 87 | K | 92.8 | Very high | 80.8 | Confident | 124 Ų | 124 | 105.5 Ų | 105.5 | 54% | 0.539 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -59.5 | -30 | 178.1 | -170.2 | 173.5 | -67.1 | -176.4 | 0 | 112.1 | D83 K91 | D83-K87 WeakPolarHBondContact O-CB 3.2Å; D83-K87 PolarHBondContact O-N 3.38Å; K87-K91 VanDerWaalsContact O-CB 3.27Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 PolarHBondContact O-N 3.26Å |
| 88 | L | 91.5 | Very high | 78.5 | Confident | 123 Ų | 123 | 103.6 Ų | 103.6 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -76.4 | -38.7 | 172.5 | -72.9 | 169.8 | 0 | 0 | 0 | 113.4 | I84 V85 E86 | I84-L88 HydrophobicContact CG2-CD1 4.05Å; I84-L88 WeakPolarHBondContact O-CB 3.02Å; I84-L88 WeakPolarHBondContact O-CD1 3.37Å; I84-L88 WeakPolarHBondContact O-CG 3.35Å; I84-L88 PolarHBondContact O-N 3.13Å; V85-L88 PolarHBondContact O-N 2.94Å; E86-L88 PolarHBondContact O-N 2.71Å |
| 89 | R | 91.3 | Very high | 76.4 | Confident | 144 Ų | 144 | 105.7 Ų | 105.7 | 54% | 0.543 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.5 | -54.6 | 176.3 | 177.4 | -174.2 | 63.8 | -158.4 | -2.4 | 111.2 | V85 E86 K91 G92 | V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 2.79Å; E86-R89 PolarHBondContact O-N 3.37Å; E86-R89 IonicContact OE1-NH2 2.61Å; E86-R89 PolarHBondContact OE1-NH2 3.09Å; R89-K91 PolarHBondContact O-N 2.87Å; R89-G92 WeakPolarHBondContact O-CA 3.47Å; R89-G92 PolarHBondContact O-N 2.8Å |
| 90 | N | 86.4 | Confident | 73.8 | Confident | 59 Ų | 59 | 106.3 Ų | 106.3 | 32% | 0.316 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.4 | -30.9 | -172.4 | -58.2 | 11.2 | 0 | 0 | 0 | 110.6 | E86 G92 Q93 N94 | E86-N90 WeakPolarHBondContact CG-ND2 3.35Å; E86-N90 PolarHBondContact O-N 2.85Å; E86-N90 PolarHBondContact O-OD1 3.36Å; E86-N90 PolarHBondContact OE1-ND2 3.11Å; N90-G92 PolarHBondContact O-N 3.36Å; N90-Q93 PolarHBondContact O-N 3.1Å; N90-Q93 VanDerWaalsContact O-N 3.07Å; N90-N94 PolarHBondContact O-N 3.47Å |
| 91 | K | 79.8 | Confident | 71.6 | Confident | 160 Ų | 160 | 106.7 Ų | 106.7 | 70% | 0.696 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -22.8 | 170.6 | -177.1 | 161.9 | -177.3 | 164.4 | 0 | 114.1 | K87 R89 | K87-K91 VanDerWaalsContact O-CB 3.27Å; K87-K91 WeakPolarHBondContact O-CB 3.3Å; K87-K91 PolarHBondContact O-N 3.26Å; R89-K91 PolarHBondContact O-N 2.87Å |
| 92 | G | 60.2 | Low | 69.2 | Low | 59 Ų | 59 | 107.4 Ų | 107.4 | 61% | 0.608 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 0.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R89 N90 | R89-G92 WeakPolarHBondContact O-CA 3.47Å; R89-G92 PolarHBondContact O-N 2.8Å; N90-G92 PolarHBondContact O-N 3.36Å |
| 93 | Q | 53.8 | Low | 66.5 | Low | 133 Ų | 133 | 111.2 Ų | 111.2 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -25.4 | -176 | -162.3 | 157.8 | 6.5 | 0 | 0 | 112.6 | N90 D95 C96 | N90-Q93 PolarHBondContact O-N 3.1Å; N90-Q93 VanDerWaalsContact O-N 3.07Å; Q93-D95 PolarHBondContact O-N 3.06Å; Q93-C96 PolarHBondContact O-N 3.43Å |
| 94 | N | 51.7 | Low | 64 | Low | 125 Ų | 125 | 113.2 Ų | 113.2 | 67% | 0.668 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -69.6 | -14.1 | 175.9 | -68.1 | -4.5 | 0 | 0 | 0 | 114.3 | N90 C96 | N90-N94 PolarHBondContact O-N 3.47Å; N94-C96 PolarHBondContact O-N 3.28Å |
| 95 | D | 50.3 | Low | 61.2 | Low | 144 Ų | 144 | 118.6 Ų | 118.6 | 77% | 0.77 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -76.6 | -5.3 | 178 | -70 | -33.3 | 0 | 0 | 0 | 113.4 | Q93 | Q93-D95 PolarHBondContact O-N 3.06Š|
| 96 | C | 46.1 | Very low | 58.6 | Low | 118 Ų | 118 | 117.1 Ų | 117.1 | 80% | 0.797 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -127.6 | 7.1 | -177.1 | -69.2 | 0 | 0 | 0 | 0 | 114.7 | Q93 N94 S98 | Q93-C96 PolarHBondContact O-N 3.43Å; N94-C96 PolarHBondContact O-N 3.28Å; C96-S98 PolarHBondContact O-N 3.46Å; C96-S98 VanDerWaalsContact O-N 3.15Å |
| 97 | A | 44.7 | Very low | 55.7 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 68% | 0.684 | S | S | * | * | | | trans | -88.5 | 68.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 98 | S | 44.3 | Very low | 53.3 | Low | 78 Ų | 78 | 121.2 Ų | 121.2 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | | | trans | -69.7 | 125.8 | 164.5 | -174.3 | 0 | 0 | 0 | 0 | 109 | C96 D100 | C96-S98 PolarHBondContact O-N 3.46Å; C96-S98 VanDerWaalsContact O-N 3.15Å; S98-D100 WeakPolarHBondContact CB-OD2 3.35Å; S98-D100 PolarHBondContact O-N 2.84Å; S98-D100 VanDerWaalsContact OG-CG 3.31Å; S98-D100 PolarHBondContact OG-OD2 3.04Å |
| 99 | P | 50.3 | Low | 51.8 | Low | 124 Ų | 124 | 121.2 Ų | 121.2 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | | | trans | -81.8 | 65.1 | 172.4 | 35.1 | -34 | 0 | 0 | 0 | 109.7 | A101 | P99-A101 PolarHBondContact O-N 3.21Š|
| 100 | D | 40.9 | Very low | 49.1 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 71% | 0.714 | S | S | * | * | | | trans | -70.2 | 112.1 | 169.4 | -68 | -64.3 | 0 | 0 | 0 | 108.3 | S98 | S98-D100 WeakPolarHBondContact CB-OD2 3.35Å; S98-D100 PolarHBondContact O-N 2.84Å; S98-D100 VanDerWaalsContact OG-CG 3.31Å; S98-D100 PolarHBondContact OG-OD2 3.04Å |
| 101 | A | 51.5 | Low | 47 | Very low | 80 Ų | 80 | 125.8 Ų | 125.8 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | | | trans | -96.6 | 152.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P99 | P99-A101 PolarHBondContact O-N 3.21Š|
| 102 | D | 44.7 | Very low | 44.8 | Very low | 150 Ų | 150 | 125 Ų | 125 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | | | trans | 61 | 76.8 | 154.2 | -54.8 | -35.8 | 0 | 0 | 0 | 119.3 | | |
| 103 | D | 39.8 | Very low | 44 | Very low | 171 Ų | 171 | 129.6 Ų | 129.6 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | | | trans | -145.8 | 95.2 | 144.1 | -105.6 | -33.7 | 0 | 0 | 0 | 106.8 | | |
| 104 | C | 41.1 | Very low | 43.4 | Very low | 88 Ų | 88 | 132.4 Ų | 132.4 | 60% | 0.595 | 76% | 0.761 | S | S | * | * | | | cis | 91.9 | 124 | 42.7 | -157 | 0 | 0 | 0 | 0 | 112.9 | | |
| 105 | F | 36 | Very low | 42.6 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | 61 | 137.8 | -171.3 | -45.9 | -80 | 0 | 0 | 0 | 115.9 | | |
| 106 | G | 39.6 | Very low | 42.2 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | | | cis | 134.5 | 82.7 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 107 | H | 33.8 | Very low | 41.9 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | -167.6 | 141.2 | 154.9 | -104.2 | -68.6 | 0 | 0 | 0 | 112.1 | | |
| 108 | S | 40.9 | Very low | 41.6 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -140.2 | 165.8 | 165.7 | -53.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 109 | P | 60.3 | Low | 41.4 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | | | cis | -126.4 | -149.6 | -8.5 | 41.8 | -24.8 | 0 | 0 | 0 | 111.6 | | |
| 110 | L | 35.7 | Very low | 41 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 116.9 | 142.6 | 149.2 | -142.3 | 166.2 | 0 | 0 | 0 | 116.5 | | |
| 111 | M | 40.9 | Very low | 40.9 | Very low | 151 Ų | 151 | 139.8 Ų | 139.8 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | trans | 74.4 | 101.8 | 167.8 | 53.5 | -169.9 | -173.2 | 0 | 0 | 122.1 | | |
| 112 | D | 34.9 | Very low | 40.5 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | | | | 97.9 | 123.3 | 117.6 | -61.3 | -4.6 | 0 | 0 | 0 | 121.8 | | |
| 113 | D | 43.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | | | trans | -58.7 | 134.2 | 170.6 | -59.9 | -103.5 | 0 | 0 | 0 | 112.8 | | |
| 114 | H | 40.8 | Very low | 40.6 | Very low | 192 Ų | 192 | 139 Ų | 139 | 89% | 0.889 | 76% | 0.762 | S | S | * | * | | | trans | -129.5 | 104.6 | 151.9 | -97.4 | 62.5 | 0 | 0 | 0 | 111.3 | | |
| 115 | F | 35.5 | Very low | 40.7 | Very low | 210 Ų | 210 | 142.9 Ų | 142.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | | | trans | -29 | 129.1 | 170.1 | -161.8 | -95.3 | 0 | 0 | 0 | 115.2 | | |
| 116 | G | 40.5 | Very low | 40.8 | Very low | 66 Ų | 66 | 144.2 Ų | 144.2 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | -85.2 | 146.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 117 | K | 40.6 | Very low | 40.9 | Very low | 156 Ų | 156 | 150.8 Ų | 150.8 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | -156.1 | 109.7 | 157 | -138.3 | -173.8 | -178.7 | -149.8 | 0 | 110.7 | E120 | K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 WeakPolarHBondContact CE-OE2 3.47Å; K117-E120 IonicContact NZ-OE1 2.69Å; K117-E120 PolarHBondContact NZ-OE1 3.45Å; K117-E120 IonicContact NZ-OE2 2.66Å; K117-E120 PolarHBondContact NZ-OE2 3.24Å |
| 118 | L | 38.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 152.5 Ų | 152.5 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -146.2 | 76.2 | 174.1 | -105.6 | 173.1 | 0 | 0 | 0 | 109.6 | | |
| 119 | S | 40.5 | Very low | 40.7 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -150.6 | 13.4 | -177.9 | -170.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 120 | E | 41 | Very low | 39.6 | Very low | 129 Ų | 129 | 151.2 Ų | 151.2 | 60% | 0.603 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -128.6 | -6.3 | -167 | -70.4 | 169.5 | 141.3 | 0 | 0 | 114.8 | K117 | K117-E120 WeakPolarHBondContact CD-OE2 3.36Å; K117-E120 WeakPolarHBondContact CE-OE2 3.47Å; K117-E120 IonicContact NZ-OE1 2.69Å; K117-E120 PolarHBondContact NZ-OE1 3.45Å; K117-E120 IonicContact NZ-OE2 2.66Å; K117-E120 PolarHBondContact NZ-OE2 3.24Å |
| 121 | D | 40.3 | Very low | 39.7 | Very low | 134 Ų | 134 | 148.9 Ų | 148.9 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -87.2 | -8.2 | -178.2 | -88.1 | -37.2 | 0 | 0 | 0 | 115.1 | D123 | D121-D123 VanDerWaalsContact C-N 3.33Å; D121-D123 PolarHBondContact O-N 3.28Å |
| 122 | S | 42.9 | Very low | 39.5 | Very low | 97 Ų | 97 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -22.3 | -174.9 | 49.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 123 | D | 40.7 | Very low | 39.5 | Very low | 135 Ų | 135 | 149 Ų | 149 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -15.6 | -169.9 | -78.4 | 5.8 | 0 | 0 | 0 | 114.2 | D121 M125 | D121-D123 VanDerWaalsContact C-N 3.33Å; D121-D123 PolarHBondContact O-N 3.28Å; D123-M125 PolarHBondContact O-N 3.03Å |
| 124 | L | 44.7 | Very low | 39.5 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -76.6 | -23.5 | -171.9 | -143.8 | 74.2 | 0 | 0 | 0 | 113.7 | | |
| 125 | M | 42.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -72.6 | -28 | -178.5 | -98.1 | -69.1 | -167.9 | 0 | 0 | 114 | D123 K127 | D123-M125 PolarHBondContact O-N 3.03Å; M125-K127 PolarHBondContact O-N 3.38Å |
| 126 | Y | 38.4 | Very low | 39.5 | Very low | 227 Ų | 227 | 146.1 Ų | 146.1 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -79.5 | 0.5 | -168.1 | -139.8 | -91.6 | 0 | 0 | 0 | 114.8 | | |
| 127 | K | 42.7 | Very low | 39.4 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -112.1 | 12.4 | -174.6 | -92.6 | -179.2 | 176 | 173.2 | 0 | 116 | M125 | M125-K127 PolarHBondContact O-N 3.38Š|
| 128 | R | 37.7 | Very low | 39.4 | Very low | 230 Ų | 230 | 154.9 Ų | 154.9 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -122.2 | 32.7 | -178.3 | -164.6 | 145.5 | -126.4 | 177.4 | 2 | 116.3 | | |
| 129 | C | 32 | Very low | 39.6 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 93% | 0.926 | 78% | 0.783 | S | S | * | * | | | trans | -136.6 | 79.3 | 165.3 | -86.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 130 | G | 37.1 | Very low | 39.3 | Very low | 71 Ų | 71 | 152 Ų | 152 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | | | trans | -153.7 | 135.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 131 | A | 37.5 | Very low | 39 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 63.1 | 135 | -162.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 132 | L | 36.5 | Very low | 39 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | cis | -140.3 | 159.6 | 43.5 | -80.8 | 161.5 | 0 | 0 | 0 | 115.6 | | |
| 133 | N | 35.7 | Very low | 39.2 | Very low | 140 Ų | 140 | 153 Ų | 153 | 75% | 0.749 | 81% | 0.807 | S | S | * | * | | | trans | 54.7 | 78.7 | 152.3 | -68.1 | 11.4 | 0 | 0 | 0 | 121 | | |
| 134 | K | 43.6 | Very low | 39 | Very low | 168 Ų | 168 | 151.8 Ų | 151.8 | 73% | 0.73 | 80% | 0.8 | S | S | * | * | | | | 25.3 | 108.2 | 105.9 | -169.8 | 178.7 | -176.5 | -177.5 | 0 | 117.2 | E136 | K134-E136 WeakPolarHBondContact CE-OE2 3.29Å; K134-E136 HydrophobicContact CG-CG 4.44Å; K134-E136 IonicContact NZ-OE2 2.8Å; K134-E136 PolarHBondContact NZ-OE2 2.76Å |
| 135 | K | 39.5 | Very low | 39.2 | Very low | 211 Ų | 211 | 150.7 Ų | 150.7 | 92% | 0.917 | 80% | 0.802 | S | S | * | * | | | trans | -135.6 | 142.1 | 143.1 | -166.4 | 169.3 | -176.1 | 175.7 | 0 | 108.7 | | |
| 136 | E | 37.2 | Very low | 39 | Very low | 117 Ų | 117 | 149.4 Ų | 149.4 | 55% | 0.547 | 80% | 0.799 | S | S | . | * | | | trans | -104.3 | 162.4 | -159.6 | -79.6 | -171.9 | 46.2 | 0 | 0 | 115.7 | K134 | K134-E136 WeakPolarHBondContact CE-OE2 3.29Å; K134-E136 HydrophobicContact CG-CG 4.44Å; K134-E136 IonicContact NZ-OE2 2.8Å; K134-E136 PolarHBondContact NZ-OE2 2.76Å |
| 137 | H | 38.9 | Very low | 39.2 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | | | trans | 61.7 | 102.8 | 151.8 | -83.1 | 94.1 | 0 | 0 | 0 | 119.1 | | |
| 138 | R | 40.5 | Very low | 39.4 | Very low | 244 Ų | 244 | 137.4 Ų | 137.4 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | | -145.6 | 158.5 | 88.8 | -77.7 | -153.8 | -177 | -92.3 | 0.4 | 109.9 | | |
| 139 | G | 40.8 | Very low | 39.7 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | | | trans | -74 | 140.9 | -164 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 140 | C | 35.2 | Very low | 40.7 | Very low | 129 Ų | 129 | 133.1 Ų | 133.1 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | | | trans | -106.7 | 116.2 | 150.2 | -70.9 | 0 | 0 | 0 | 0 | 106.8 | S142 | C140-S142 PolarHBondContact O-N 3.46Š|
| 141 | D | 34.8 | Very low | 41.4 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | -67.2 | 128.8 | 168.7 | -158.9 | -97.2 | 0 | 0 | 0 | 108.3 | P143 | D141-P143 WeakPolarHBondContact O-CD 3.37Š|
| 142 | S | 39.3 | Very low | 42.4 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | | | trans | -100.9 | 108.3 | -171.6 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | C140 | C140-S142 PolarHBondContact O-N 3.46Š|
| 143 | P | 46.8 | Very low | 43.3 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | | | trans | -64.9 | 141.4 | 178.5 | 27.1 | -34 | 0 | 0 | 0 | 111.3 | D141 | D141-P143 WeakPolarHBondContact O-CD 3.37Š|
| 144 | D | 38.3 | Very low | 43.9 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | | | trans | -54.2 | 134.4 | -178.8 | -171.4 | -25.3 | 0 | 0 | 0 | 112.9 | D146 A147 | D144-D146 PolarHBondContact O-N 2.94Å; D144-D146 PolarHBondContact OD1-N 3.27Å; D144-A147 PolarHBondContact O-N 2.8Å |
| 145 | P | 48.9 | Very low | 44.8 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 83% | 0.831 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -23.4 | 174.7 | 24.2 | -35.6 | 0 | 0 | 0 | 115.5 | A147 | P145-A147 VanDerWaalsContact C-N 3.28Å; P145-A147 PolarHBondContact O-N 3.22Å |
| 146 | D | 38.3 | Very low | 46.1 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 78% | 0.775 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 8.2 | -176.5 | -86.5 | -38.5 | 0 | 0 | 0 | 114.9 | D144 S148 | D144-D146 PolarHBondContact O-N 2.94Å; D144-D146 PolarHBondContact OD1-N 3.27Å; D146-S148 PolarHBondContact O-N 2.9Å |
| 147 | A | 41.5 | Very low | 47.6 | Very low | 65 Ų | 65 | 119.1 Ų | 119.1 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | | | trans | -66.6 | 94.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D144 P145 Y149 | D144-A147 PolarHBondContact O-N 2.8Å; P145-A147 VanDerWaalsContact C-N 3.28Å; P145-A147 PolarHBondContact O-N 3.22Å; A147-Y149 PolarHBondContact O-N 3.32Å |
| 148 | S | 46.9 | Very low | 49 | Very low | 112 Ų | 112 | 117.9 Ų | 117.9 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | | | trans | -60 | 95.1 | 176.2 | 64.6 | 0 | 0 | 0 | 0 | 111.7 | D146 V150 | D146-S148 PolarHBondContact O-N 2.9Å; S148-V150 PolarHBondContact O-N 3.39Å |
| 149 | Y | 44.9 | Very low | 50.4 | Low | 169 Ų | 169 | 109.9 Ų | 109.9 | 66% | 0.663 | 63% | 0.632 | S | S | * | * | | | trans | -86.8 | 78.7 | -161.6 | -158 | -61.9 | 0 | 0 | 0 | 111.8 | R15 A147 | R15-Y149 VanDerWaalsContact NH2-CB 3.28Å; R15-Y149 VanDerWaalsContact NH2-CG 3.32Å; R15-Y149 PolarHBondContact NH2-O 3.24Å; A147-Y149 PolarHBondContact O-N 3.32Å |
| 150 | V | 52.6 | Low | 52.1 | Low | 108 Ų | 108 | 112 Ų | 112 | 66% | 0.655 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 141.4 | 171.8 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | S148 T152 | S148-V150 PolarHBondContact O-N 3.39Å; V150-T152 PolarHBondContact O-N 3.28Å |
| 151 | L | 51.7 | Low | 54.1 | Low | 67 Ų | 67 | 112.9 Ų | 112.9 | 35% | 0.351 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -65 | 128.9 | 170.1 | -83.9 | 83.9 | 0 | 0 | 0 | 109 | | |
| 152 | T | 57.7 | Low | 56 | Low | 89 Ų | 89 | 108.1 Ų | 108.1 | 55% | 0.546 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 127.7 | 175.9 | -39.5 | 0 | 0 | 0 | 0 | 109.2 | V150 H154 T155 | V150-T152 PolarHBondContact O-N 3.28Å; T152-H154 VanDerWaalsContact C-N 3.29Å; T152-H154 PolarHBondContact O-N 3.47Å; T152-H154 VanDerWaalsContact O-N 3.09Å; T152-T155 WeakPolarHBondContact O-CA 3.34Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 2.88Å; T152-T155 PolarHBondContact O-OG1 2.92Å |
| 153 | P | 57.4 | Low | 57.6 | Low | 82 Ų | 82 | 105.3 Ų | 105.3 | 53% | 0.532 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -51.2 | -43 | -167 | -33.1 | 36 | 0 | 0 | 0 | 114.8 | T155 E156 E157 | P153-T155 PolarHBondContact O-N 2.98Å; P153-E156 PolarHBondContact O-N 3Å; P153-E157 WeakPolarHBondContact O-CG 3.38Å; P153-E157 PolarHBondContact O-N 3.27Å |
| 154 | H | 47.3 | Very low | 59.3 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.2 | -22.7 | 175.1 | 179.2 | -110.4 | 0 | 0 | 0 | 114.8 | T152 K158 | T152-H154 VanDerWaalsContact C-N 3.29Å; T152-H154 PolarHBondContact O-N 3.47Å; T152-H154 VanDerWaalsContact O-N 3.09Å; H154-K158 WeakPolarHBondContact O-CB 3.32Å |
| 155 | T | 63 | Low | 60.9 | Low | 54 Ų | 54 | 105.3 Ų | 105.3 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -84.7 | -38.7 | 172.7 | 68 | 0 | 0 | 0 | 0 | 112.5 | T152 P153 K158 Y159 | T152-T155 WeakPolarHBondContact O-CA 3.34Å; T152-T155 WeakPolarHBondContact O-CB 3.32Å; T152-T155 PolarHBondContact O-N 2.88Å; T152-T155 PolarHBondContact O-OG1 2.92Å; P153-T155 PolarHBondContact O-N 2.98Å; T155-K158 PolarHBondContact O-N 2.88Å; T155-Y159 WeakPolarHBondContact O-CD2 3.1Å; T155-Y159 PolarHBondContact O-N 2.72Å |
| 156 | E | 65.6 | Low | 62 | Low | 121 Ų | 121 | 99.9 Ų | 99.9 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -49.3 | 175.9 | -177 | 175.5 | 175.1 | 0 | 0 | 110.9 | P153 K158 Y159 K160 | P153-E156 PolarHBondContact O-N 3Å; E156-K158 PolarHBondContact O-N 3.47Å; E156-Y159 PolarHBondContact O-N 2.72Å; E156-K160 WeakPolarHBondContact O-CB 3.16Å; E156-K160 PolarHBondContact O-N 2.91Å |
| 157 | E | 70.1 | Confident | 64 | Low | 118 Ų | 118 | 96.8 Ų | 96.8 | 55% | 0.551 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -51.3 | -41.7 | 173.6 | -71 | 169.1 | 173.8 | 0 | 0 | 111.9 | P153 K160 K161 | P153-E157 WeakPolarHBondContact O-CG 3.38Å; P153-E157 PolarHBondContact O-N 3.27Å; E157-K160 PolarHBondContact O-N 3.27Å; E157-K161 VanDerWaalsContact O-CB 3.24Å; E157-K161 WeakPolarHBondContact O-CB 3.18Å; E157-K161 PolarHBondContact O-N 2.69Å |
| 158 | K | 68.1 | Low | 65.7 | Low | 136 Ų | 136 | 97.3 Ų | 97.3 | 59% | 0.591 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.1 | -35.8 | 179.4 | -171.4 | 166.5 | -174.2 | 166 | 0 | 112.9 | H154 T155 E156 I162 | H154-K158 WeakPolarHBondContact O-CB 3.32Å; T155-K158 PolarHBondContact O-N 2.88Å; E156-K158 PolarHBondContact O-N 3.47Å; K158-I162 WeakPolarHBondContact O-CD1 3.39Å; K158-I162 VanDerWaalsContact O-CG1 3.26Å; K158-I162 WeakPolarHBondContact O-CG1 3.2Å; K158-I162 PolarHBondContact O-N 3.31Å |
| 159 | Y | 69.2 | Low | 67.1 | Low | 76 Ų | 76 | 95.1 Ų | 95.1 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -77.6 | -37.2 | 174.3 | -66.1 | -59.8 | 0 | 0 | 0 | 112.4 | V19 K23 T155 E156 I162 N163 | V19-Y159 HydrophobicContact CG2-CE2 4.38Å; K23-Y159 HydrophobicContact CD-CE1 4.41Å; T155-Y159 WeakPolarHBondContact O-CD2 3.1Å; T155-Y159 PolarHBondContact O-N 2.72Å; E156-Y159 PolarHBondContact O-N 2.72Å; Y159-I162 PolarHBondContact O-N 3.29Å; Y159-N163 PolarHBondContact O-N 2.82Å; Y159-N163 VanDerWaalsContact O-N 3.15Å |
| 160 | K | 77.3 | Confident | 68.5 | Low | 124 Ų | 124 | 88.6 Ų | 88.6 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 173 | 178.5 | 175.7 | 171.4 | -179.7 | 0 | 111 | E156 E157 I162 N163 E164 | E156-K160 WeakPolarHBondContact O-CB 3.16Å; E156-K160 PolarHBondContact O-N 2.91Å; E157-K160 PolarHBondContact O-N 3.27Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-I162 PolarHBondContact O-N 2.9Å; K160-N163 WeakPolarHBondContact O-CB 3.42Å; K160-N163 PolarHBondContact O-N 3.46Å; K160-N163 VanDerWaalsContact O-N 3.12Å; K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.47Å; K160-E164 WeakPolarHBondContact CG-OE1 3.3Å; K160-E164 IonicContact NZ-OE1 2.81Å; K160-E164 WeakPolarHBondContact O-CG 3.4Å; K160-E164 PolarHBondContact O-N 3.35Å |
| 161 | K | 77.3 | Confident | 69.5 | Low | 148 Ų | 148 | 90.4 Ų | 90.4 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | 178.3 | -173.4 | 167.3 | -178.2 | 171.2 | 0 | 113.3 | E157 E164 E165 | E157-K161 VanDerWaalsContact O-CB 3.24Å; E157-K161 WeakPolarHBondContact O-CB 3.18Å; E157-K161 PolarHBondContact O-N 2.69Å; K161-E164 PolarHBondContact O-N 2.93Å; K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.73Å |
| 162 | I | 73.6 | Confident | 70.1 | Confident | 62 Ų | 62 | 93.2 Ų | 93.2 | 32% | 0.318 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 174.9 | -72 | 165.6 | 0 | 0 | 0 | 111.4 | F26 K158 Y159 K160 F166 | F26-I162 HydrophobicContact CD2-CG2 3.93Å; F26-I162 HydrophobicContact CE2-CG2 3.52Å; F26-I162 WeakPolarHBondContact CE2-O 3.49Å; F26-I162 HydrophobicContact CZ-CG2 4.03Å; K158-I162 WeakPolarHBondContact O-CD1 3.39Å; K158-I162 VanDerWaalsContact O-CG1 3.26Å; K158-I162 WeakPolarHBondContact O-CG1 3.2Å; K158-I162 PolarHBondContact O-N 3.31Å; Y159-I162 PolarHBondContact O-N 3.29Å; K160-I162 VanDerWaalsContact C-N 3.32Å; K160-I162 PolarHBondContact O-N 2.9Å; I162-F166 PolarHBondContact O-N 3.05Å |
| 163 | N | 73.1 | Confident | 70.1 | Confident | 50 Ų | 50 | 94.3 Ų | 94.3 | 27% | 0.267 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -50.6 | 172.5 | -73.3 | -10.3 | 0 | 0 | 0 | 110.6 | Y159 K160 E165 F166 D167 | Y159-N163 PolarHBondContact O-N 2.82Å; Y159-N163 VanDerWaalsContact O-N 3.15Å; K160-N163 WeakPolarHBondContact O-CB 3.42Å; K160-N163 PolarHBondContact O-N 3.46Å; K160-N163 VanDerWaalsContact O-N 3.12Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 PolarHBondContact O-N 2.93Å; N163-F166 CarbonylContact O-C 3.6Å; N163-F166 PolarHBondContact O-N 2.9Å; N163-F166 VanDerWaalsContact O-N 3.11Å; N163-D167 WeakPolarHBondContact O-CB 3.19Å; N163-D167 VanDerWaalsContact O-CG 3.25Å; N163-D167 PolarHBondContact O-N 2.81Å |
| 164 | E | 81.9 | Confident | 69.7 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.4 | -36.9 | -179.2 | -71.1 | 172 | 173.4 | 0 | 0 | 113.1 | K160 K161 D167 N168 | K160-E164 WeakPolarHBondContact CE-OE1 3.48Å; K160-E164 HydrophobicContact CG-CG 4.47Å; K160-E164 WeakPolarHBondContact CG-OE1 3.3Å; K160-E164 IonicContact NZ-OE1 2.81Å; K160-E164 WeakPolarHBondContact O-CG 3.4Å; K160-E164 PolarHBondContact O-N 3.35Å; K161-E164 PolarHBondContact O-N 2.93Å; E164-D167 PolarHBondContact O-N 3.46Å; E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.62Å |
| 165 | E | 73.8 | Confident | 69.6 | Low | 129 Ų | 129 | 96.6 Ų | 96.6 | 60% | 0.603 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | 174.5 | -178.6 | 172.7 | -155.2 | 0 | 0 | 111.9 | K161 N163 N168 M169 | K161-E165 WeakPolarHBondContact O-CB 3.37Å; K161-E165 PolarHBondContact O-N 2.73Å; N163-E165 VanDerWaalsContact C-N 3.31Å; N163-E165 PolarHBondContact O-N 2.93Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; E165-M169 WeakPolarHBondContact O-CB 3.49Å; E165-M169 PolarHBondContact O-N 3.33Å |
| 166 | F | 71.8 | Confident | 68.5 | Low | 14 Ų | 14 | 99.6 Ų | 99.6 | 6% | 0.061 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74.8 | -37 | 175.3 | -177.3 | -88.9 | 0 | 0 | 0 | 112.6 | F26 M29 K30 I162 N163 N168 M169 M170 | F26-F166 HydrophobicContact CD2-CB 4.3Å; F26-F166 HydrophobicContact CD2-CG 4.39Å; F26-F166 HydrophobicContact CE1-CD2 4.19Å; F26-F166 HydrophobicContact CE2-CB 3.35Å; F26-F166 AromaticContact CE2-CD2 3.91Å; F26-F166 HydrophobicContact CE2-CD2 3.91Å; F26-F166 AromaticContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CE2-CG 3.71Å; F26-F166 HydrophobicContact CZ-CB 3.75Å; F26-F166 AromaticContact CZ-CD2 3.63Å; F26-F166 HydrophobicContact CZ-CD2 3.63Å; F26-F166 AromaticContact CZ-CG 3.93Å; F26-F166 HydrophobicContact CZ-CG 3.93Å; M29-F166 HydrophobicContact CB-CE1 4.31Å; M29-F166 HydrophobicContact CB-CZ 4.2Å; K30-F166 HydrophobicContact CB-CE2 4.19Å; K30-F166 HydrophobicContact CG-CE2 4.44Å; I162-F166 PolarHBondContact O-N 3.05Å; N163-F166 CarbonylContact O-C 3.6Å; N163-F166 PolarHBondContact O-N 2.9Å; N163-F166 VanDerWaalsContact O-N 3.11Å; F166-N168 VanDerWaalsContact C-N 3.28Å; F166-N168 PolarHBondContact O-N 3.01Å; F166-M169 HydrophobicContact CD2-CE 3.5Å; F166-M169 HydrophobicContact CE2-CE 3.49Å; F166-M169 VanDerWaalsContact CE2-CE 3.49Å; F166-M169 HydrophobicContact CG-CE 4.41Å; F166-M169 HydrophobicContact CZ-CE 4.39Å; F166-M169 WeakPolarHBondContact O-CB 3.46Å; F166-M169 PolarHBondContact O-N 3.39Å; F166-M169 VanDerWaalsContact O-N 3.15Å; F166-M170 HydrophobicContact CD1-CG 3.75Å; F166-M170 HydrophobicContact CE1-CG 3.38Å; F166-M170 HydrophobicContact CE1-SD 3.99Å; F166-M170 HydrophobicContact CG-CG 4.45Å; F166-M170 HydrophobicContact CZ-CG 3.81Å; F166-M170 HydrophobicContact CZ-SD 3.83Å; F166-M170 WeakPolarHBondContact O-CB 3.49Å; F166-M170 WeakPolarHBondContact O-CG 3.4Å; F166-M170 PolarHBondContact O-N 3.33Å |
| 167 | D | 78.8 | Confident | 67.1 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 43% | 0.428 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.9 | -33 | 174.7 | -65.8 | -28.8 | 0 | 0 | 0 | 110.9 | N163 E164 R171 | N163-D167 WeakPolarHBondContact O-CB 3.19Å; N163-D167 VanDerWaalsContact O-CG 3.25Å; N163-D167 PolarHBondContact O-N 2.81Å; E164-D167 PolarHBondContact O-N 3.46Å; D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.13Å; D167-R171 PolarHBondContact O-N 2.9Å; D167-R171 PolarHBondContact O-NE 3.21Å |
| 168 | N | 77.1 | Confident | 65.5 | Low | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.7 | -49.4 | 165.9 | -81.4 | -2.6 | 0 | 0 | 0 | 111.6 | E164 E165 F166 M170 R171 N172 | E164-N168 VanDerWaalsContact O-CB 3.28Å; E164-N168 WeakPolarHBondContact O-CB 3.48Å; E164-N168 VanDerWaalsContact O-CG 3.28Å; E164-N168 PolarHBondContact O-N 2.62Å; E165-N168 WeakPolarHBondContact O-CB 3.27Å; F166-N168 VanDerWaalsContact C-N 3.28Å; F166-N168 PolarHBondContact O-N 3.01Å; N168-M170 VanDerWaalsContact C-N 3.33Å; N168-M170 PolarHBondContact O-N 2.69Å; N168-R171 PolarHBondContact O-N 3.21Å; N168-R171 VanDerWaalsContact OD1-CZ 3.22Å; N168-R171 PolarHBondContact OD1-NH1 3.43Å; N168-R171 PolarHBondContact OD1-NH2 3.27Å; N168-N172 WeakPolarHBondContact O-CB 2.74Å; N168-N172 PolarHBondContact O-N 2.98Å; N168-N172 PolarHBondContact O-OD1 2.84Å |
| 169 | M | 76.6 | Confident | 63.9 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 33% | 0.33 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -44.6 | 179 | -171 | -169 | 75.3 | 0 | 0 | 111.7 | E165 F166 N172 H173 | E165-M169 WeakPolarHBondContact O-CB 3.49Å; E165-M169 PolarHBondContact O-N 3.33Å; F166-M169 HydrophobicContact CD2-CE 3.5Å; F166-M169 HydrophobicContact CE2-CE 3.49Å; F166-M169 VanDerWaalsContact CE2-CE 3.49Å; F166-M169 HydrophobicContact CG-CE 4.41Å; F166-M169 HydrophobicContact CZ-CE 4.39Å; F166-M169 WeakPolarHBondContact O-CB 3.46Å; F166-M169 PolarHBondContact O-N 3.39Å; F166-M169 VanDerWaalsContact O-N 3.15Å; M169-N172 PolarHBondContact O-N 2.65Å; M169-H173 PolarHBondContact O-N 3.18Å; M169-H173 PolarHBondContact O-ND1 2.96Å |
| 170 | M | 74.7 | Confident | 62.4 | Low | 32 Ų | 32 | 100.1 Ų | 100.1 | 16% | 0.158 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 176.7 | -74.9 | -59.3 | -49.5 | 0 | 0 | 112.4 | Y33 Y57 F166 N168 K174 | Y33-M170 HydrophobicContact CD2-CE 4.06Å; Y33-M170 HydrophobicContact CD2-SD 3.82Å; Y33-M170 HydrophobicContact CE2-SD 4.29Å; Y33-M170 HydrophobicContact CG-SD 4.25Å; Y57-M170 HydrophobicContact CD2-CE 4.4Å; Y57-M170 HydrophobicContact CE2-CE 3.62Å; Y57-M170 HydrophobicContact CE2-SD 4.1Å; F166-M170 HydrophobicContact CD1-CG 3.75Å; F166-M170 HydrophobicContact CE1-CG 3.38Å; F166-M170 HydrophobicContact CE1-SD 3.99Å; F166-M170 HydrophobicContact CG-CG 4.45Å; F166-M170 HydrophobicContact CZ-CG 3.81Å; F166-M170 HydrophobicContact CZ-SD 3.83Å; F166-M170 WeakPolarHBondContact O-CB 3.49Å; F166-M170 WeakPolarHBondContact O-CG 3.4Å; F166-M170 PolarHBondContact O-N 3.33Å; N168-M170 VanDerWaalsContact C-N 3.33Å; N168-M170 PolarHBondContact O-N 2.69Å; M170-K174 PolarHBondContact O-N 2.87Å |
| 171 | R | 73 | Confident | 60.3 | Low | 145 Ų | 145 | 103 Ų | 103 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 174.5 | -86.1 | -175.4 | -85.2 | 98.7 | -0.4 | 112.2 | D167 N168 H173 K174 | D167-R171 WeakPolarHBondContact O-CB 3.47Å; D167-R171 WeakPolarHBondContact O-CG 3.13Å; D167-R171 PolarHBondContact O-N 2.9Å; D167-R171 PolarHBondContact O-NE 3.21Å; N168-R171 PolarHBondContact O-N 3.21Å; N168-R171 VanDerWaalsContact OD1-CZ 3.22Å; N168-R171 PolarHBondContact OD1-NH1 3.43Å; N168-R171 PolarHBondContact OD1-NH2 3.27Å; R171-H173 VanDerWaalsContact C-N 3.27Å; R171-H173 PolarHBondContact O-N 3.27Å; R171-K174 PolarHBondContact O-N 2.78Å |
| 172 | N | 64.1 | Low | 58.3 | Low | 126 Ų | 126 | 102.5 Ų | 102.5 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.5 | -20.9 | -176.2 | -67 | 1 | 0 | 0 | 0 | 113.2 | N168 M169 | N168-N172 WeakPolarHBondContact O-CB 2.74Å; N168-N172 PolarHBondContact O-N 2.98Å; N168-N172 PolarHBondContact O-OD1 2.84Å; M169-N172 PolarHBondContact O-N 2.65Å |
| 173 | H | 59.4 | Low | 56.4 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 52% | 0.523 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | 4.7 | 174.7 | -65.6 | 87 | 0 | 0 | 0 | 113.8 | M169 R171 I175 | M169-H173 PolarHBondContact O-N 3.18Å; M169-H173 PolarHBondContact O-ND1 2.96Å; R171-H173 VanDerWaalsContact C-N 3.27Å; R171-H173 PolarHBondContact O-N 3.27Å; H173-I175 PolarHBondContact O-N 3.32Å |
| 174 | K | 48.5 | Very low | 54.5 | Low | 124 Ų | 124 | 111.9 Ų | 111.9 | 54% | 0.539 | 58% | 0.577 | S | S | . | * | S | Bend | trans | -69.3 | 101.6 | 162.8 | -78.5 | -146.2 | 172.7 | -151.8 | 0 | 108.6 | T60 M170 R171 P176 | T60-K174 PolarHBondContact O-NZ 3.24Å; M170-K174 PolarHBondContact O-N 2.87Å; R171-K174 PolarHBondContact O-N 2.78Å; K174-P176 WeakPolarHBondContact O-CD 3.16Å |
| 175 | I | 45.5 | Very low | 52.3 | Low | 143 Ų | 143 | 111.9 Ų | 111.9 | 73% | 0.733 | 59% | 0.588 | S | S | * | * | | | trans | -52.7 | 124.3 | 175 | -61.4 | 169.8 | 0 | 0 | 0 | 109.1 | H173 T177 | H173-I175 PolarHBondContact O-N 3.32Å; I175-T177 PolarHBondContact O-N 3.41Å |
| 176 | P | 38.4 | Very low | 50.6 | Low | 117 Ų | 117 | 113.4 Ų | 113.4 | 76% | 0.76 | 60% | 0.596 | S | S | * | * | | | trans | -71.7 | 94.5 | 171.4 | -16.2 | 31.3 | 0 | 0 | 0 | 109.6 | K174 A178 | K174-P176 WeakPolarHBondContact O-CD 3.16Å; P176-A178 PolarHBondContact O-N 3.36Å |
| 177 | T | 36.7 | Very low | 48.9 | Very low | 122 Ų | 122 | 121.2 Ų | 121.2 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | | | trans | -72.1 | 70.4 | 172.7 | -48.6 | 0 | 0 | 0 | 0 | 110.2 | I175 L179 | I175-T177 PolarHBondContact O-N 3.41Å; T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.28Å |
| 178 | A | 35.8 | Very low | 46.9 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | | | trans | -78.7 | 74.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P176 | P176-A178 PolarHBondContact O-N 3.36Š|
| 179 | L | 35.5 | Very low | 45.2 | Very low | 144 Ų | 144 | 124.2 Ų | 124.2 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | | | trans | -90.3 | 127.1 | 158.2 | -77.6 | 172 | 0 | 0 | 0 | 109.1 | T177 Q181 | T177-L179 VanDerWaalsContact C-N 3.31Å; T177-L179 PolarHBondContact O-N 3.28Å; L179-Q181 PolarHBondContact O-N 3.48Å |
| 180 | P | 37.1 | Very low | 43.2 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | | | trans | -69.3 | 118.5 | 175.9 | 28.2 | -32.7 | 0 | 0 | 0 | 109.8 | Q182 | P180-Q182 PolarHBondContact O-N 3.03Š|
| 181 | Q | 33 | Very low | 41.5 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -60.9 | 102.9 | 172.7 | -79.6 | -80.6 | -39.7 | 0 | 0 | 110.1 | L179 N183 | L179-Q181 PolarHBondContact O-N 3.48Å; Q181-N183 PolarHBondContact O-N 2.93Å |
| 182 | Q | 36.5 | Very low | 39.8 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | | | trans | -73.9 | 103.2 | 168.5 | -74 | -66 | -46.3 | 0 | 0 | 108.6 | P180 F184 | P180-Q182 PolarHBondContact O-N 3.03Å; Q182-F184 HydrophobicContact CB-CD2 3.99Å; Q182-F184 HydrophobicContact CB-CE2 3.87Å; Q182-F184 PolarHBondContact O-N 3.38Å |
| 183 | N | 33.9 | Very low | 38.5 | Very low | 147 Ų | 147 | 129 Ų | 129 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | | | trans | -76.5 | 82.1 | -175.7 | -174.6 | 12.2 | 0 | 0 | 0 | 111.7 | Q181 | Q181-N183 PolarHBondContact O-N 2.93Š|
| 184 | F | 32.7 | Very low | 37.5 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 71% | 0.706 | 74% | 0.739 | S | S | * | * | | | trans | -95.2 | 99.1 | 169 | -72.3 | -72.6 | 0 | 0 | 0 | 110.3 | Q182 M186 | Q182-F184 HydrophobicContact CB-CD2 3.99Å; Q182-F184 HydrophobicContact CB-CE2 3.87Å; Q182-F184 PolarHBondContact O-N 3.38Å; F184-M186 PolarHBondContact O-N 3.17Å |
| 185 | S | 35.6 | Very low | 37 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -72.3 | 107.3 | 174 | -173.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 186 | M | 37.2 | Very low | 36.5 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | | | trans | -97.3 | 103.1 | 174.5 | -70.3 | -69.4 | -71.6 | 0 | 0 | 109.7 | F184 V188 | F184-M186 PolarHBondContact O-N 3.17Å; M186-V188 PolarHBondContact O-N 2.92Å; M186-V188 VanDerWaalsContact O-N 3.08Å |
| 187 | H | 37.1 | Very low | 36.4 | Very low | 179 Ų | 179 | 129.9 Ų | 129.9 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | -71.6 | 99.9 | 174.1 | -82.7 | -92.6 | 0 | 0 | 0 | 110.9 | | |
| 188 | V | 37.2 | Very low | 36.1 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | -90.8 | 105.8 | 170 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | M186 V190 | M186-V188 PolarHBondContact O-N 2.92Å; M186-V188 VanDerWaalsContact O-N 3.08Å; V188-V190 HydrophobicContact CG1-CG2 4.14Å |
| 189 | A | 39.9 | Very low | 36.1 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | | | trans | -88.2 | 110.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 190 | V | 36 | Very low | 35.9 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -95.1 | 117 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | V188 V192 | V188-V190 HydrophobicContact CG1-CG2 4.14Å; V190-V192 PolarHBondContact O-N 3.22Å |
| 191 | P | 39.3 | Very low | 35.7 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -74.4 | 118.3 | 173.7 | 29.4 | -32.3 | 0 | 0 | 0 | 110.4 | | |
| 192 | V | 37.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -89.8 | 105.2 | 172.5 | 177.6 | 0 | 0 | 0 | 0 | 109.3 | V190 N194 | V190-V192 PolarHBondContact O-N 3.22Å; V192-N194 PolarHBondContact O-N 2.87Å |
| 193 | S | 36.2 | Very low | 35.4 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | | | trans | -78.7 | 110.1 | 174.1 | -61.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 194 | N | 37.6 | Very low | 35.3 | Very low | 143 Ų | 143 | 133.6 Ų | 133.6 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -92.5 | 118.6 | 177.8 | -173.7 | 52.3 | 0 | 0 | 0 | 111.7 | V192 N196 | V192-N194 PolarHBondContact O-N 2.87Å; N194-N196 PolarHBondContact O-N 3.5Å |
| 195 | P | 39.6 | Very low | 35.5 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | trans | -91.6 | 86.5 | -173.3 | 35 | -33.9 | 0 | 0 | 0 | 112.8 | | |
| 196 | N | 33.8 | Very low | 35.3 | Very low | 159 Ų | 159 | 133.1 Ų | 133.1 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | trans | -174.1 | 104.8 | 154.4 | -104.5 | -35.2 | 0 | 0 | 0 | 113.1 | N194 | N194-N196 PolarHBondContact O-N 3.5Š|
| 197 | A | 37.2 | Very low | 35.2 | Very low | 106 Ų | 106 | 130.9 Ų | 130.9 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | -176.6 | 64.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 198 | M | 29.6 | Very low | 35.2 | Very low | 178 Ų | 178 | 131.5 Ų | 131.5 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -104.1 | 88.1 | 174.7 | -170.5 | -171.3 | 172.1 | 0 | 0 | 111.9 | | |
| 199 | Y | 36.1 | Very low | 35 | Very low | 224 Ų | 224 | 129.2 Ų | 129.2 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | | | trans | -146.8 | 143.2 | 163 | -85.4 | -69.1 | 0 | 0 | 0 | 113 | | |
| 200 | Q | 31.4 | Very low | 34.8 | Very low | 185 Ų | 185 | 132.5 Ų | 132.5 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | 66.9 | 97.3 | 165.1 | -72 | 179.5 | -54.8 | 0 | 0 | 120.8 | | |
| 201 | A | 32 | Very low | 34.6 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | | 69.4 | 96.6 | 110.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 202 | G | 30.5 | Very low | 34.2 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 92% | 0.918 | 82% | 0.818 | S | S | * | * | | | | 84.8 | 127 | 109.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 203 | G | 32.6 | Very low | 34.1 | Very low | 78 Ų | 78 | 129.6 Ų | 129.6 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | 148.2 | 117.2 | 166 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 204 | N | 31.7 | Very low | 34 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | | | trans | -78.6 | 143.8 | 171 | -62.1 | -3.9 | 0 | 0 | 0 | 110.3 | | |
| 205 | L | 38.3 | Very low | 34 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | | | | -176.8 | 166.4 | 117 | -126.3 | 67.6 | 0 | 0 | 0 | 112.8 | | |
| 206 | G | 31.7 | Very low | 33.7 | Very low | 68 Ų | 68 | 129.3 Ų | 129.3 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | | | trans | 99.3 | 80.6 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 207 | S | 34.3 | Very low | 33.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | | | trans | -46.6 | 169.5 | 160.1 | -42.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 208 | Q | 37.6 | Very low | 33.7 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | | | trans | 86.5 | 160 | 168.2 | -54.1 | -172.2 | 34.4 | 0 | 0 | 116.7 | | |
| 209 | A | 32.6 | Very low | 33.8 | Very low | 73 Ų | 73 | 132.9 Ų | 132.9 | 60% | 0.603 | 83% | 0.831 | S | S | * | * | | | cis | 178.1 | 161 | -38.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 210 | L | 34.7 | Very low | 33.7 | Very low | 167 Ų | 167 | 127.8 Ų | 127.8 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | | | trans | 63.7 | 137.3 | -179 | -76.7 | 61.8 | 0 | 0 | 0 | 113.3 | | |
| 211 | A | 32.6 | Very low | 33.8 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | | | cis | 100.5 | 130.8 | 25.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 212 | A | 30.3 | Very low | 33.9 | Very low | 105 Ų | 105 | 127 Ų | 127 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | | | trans | 48.9 | 114.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 213 | A | 36.7 | Very low | 33.9 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | | -154.5 | 128 | 120.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 214 | T | 33.2 | Very low | 34 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | | | trans | -86.2 | 119 | 162.1 | 46.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 215 | A | 37.3 | Very low | 35.4 | Very low | 91 Ų | 91 | 131 Ų | 131 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | | | trans | -149 | 92.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 216 | S | 33 | Very low | 36 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | | | trans | -82.9 | 116.6 | 166.5 | 50.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 217 | L | 35.7 | Very low | 35.9 | Very low | 174 Ų | 174 | 133.2 Ų | 133.2 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | | | trans | -121.4 | 138.3 | 163.4 | -76.4 | 177 | 0 | 0 | 0 | 109.7 | | |
| 218 | N | 36.7 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -130.6 | 109.9 | -176.1 | 166.5 | 101.8 | 0 | 0 | 0 | 107.5 | | |
| 219 | E | 30.6 | Very low | 35.6 | Very low | 190 Ų | 190 | 127.7 Ų | 127.7 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | -150.9 | 153.5 | 155.4 | -138.5 | -179.4 | 135.6 | 0 | 0 | 112.6 | | |
| 220 | S | 34 | Very low | 35.7 | Very low | 118 Ų | 118 | 131.7 Ų | 131.7 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | | | trans | -85 | 150.9 | -179.2 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 221 | G | 33.2 | Very low | 35.6 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | | | trans | -167.3 | 104.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 222 | M | 34.8 | Very low | 35.4 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | | | trans | -87.4 | 125.9 | 177.1 | -64.6 | -140.5 | -62.1 | 0 | 0 | 111.7 | | |
| 223 | L | 31.6 | Very low | 35.6 | Very low | 174 Ų | 174 | 139 Ų | 139 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | | | trans | -144.1 | 151.4 | 163.3 | -74.8 | -179.1 | 0 | 0 | 0 | 112 | | |
| 224 | S | 33.7 | Very low | 35.5 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | | | trans | -162.3 | 170.4 | 179.1 | -58 | 0 | 0 | 0 | 0 | 108.9 | | |
| 225 | P | 60.9 | Low | 35.5 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | cis | -101.5 | -93 | -14 | 23.7 | -2.5 | 0 | 0 | 0 | 111.6 | | |
| 226 | P | 50.3 | Low | 35.4 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | cis | -124.3 | 140.4 | -9.9 | 36.3 | -17.5 | 0 | 0 | 0 | 117.5 | | |
| 227 | Q | 30 | Very low | 35.3 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | 31.5 | 144.2 | 139.3 | -70.3 | -66.7 | -33.8 | 0 | 0 | 125.4 | | |
| 228 | A | 31.7 | Very low | 35.2 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | 78.9 | 144.7 | 148 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 229 | S | 34.7 | Very low | 35 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 71% | 0.706 | 80% | 0.803 | S | S | * | * | | | cis | -168.9 | -177.2 | -16.4 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 230 | L | 34.4 | Very low | 35.1 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | 75.8 | 132.3 | 178.9 | -46.1 | 178.5 | 0 | 0 | 0 | 113.8 | | |
| 231 | H | 31.5 | Very low | 34.9 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | cis | -157.1 | 176.6 | 9.1 | -140 | 169.9 | 0 | 0 | 0 | 107.4 | | |
| 232 | R | 29.3 | Very low | 34.7 | Very low | 209 Ų | 209 | 137.4 Ų | 137.4 | 79% | 0.789 | 81% | 0.805 | S | S | * | * | | | cis | -159.5 | 173.7 | 5 | -164.2 | 164.5 | -171.4 | -157.8 | 0.8 | 110 | | |
| 233 | N | 34.8 | Very low | 35.7 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | | | trans | -71.7 | 170.1 | 176.4 | -85 | 12.2 | 0 | 0 | 0 | 114.1 | | |
| 234 | V | 34.3 | Very low | 35.7 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | | | | -163.7 | 149 | 60.9 | 167.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 235 | V | 33.1 | Very low | 35.8 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | trans | 68.2 | 113.8 | 167.3 | 157.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 236 | S | 35.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | | | | 80.6 | 125.8 | 56 | -63 | 0 | 0 | 0 | 0 | 113.6 | | |
| 237 | G | 31.5 | Very low | 33.7 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | cis | -154.3 | 174 | -7.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 238 | G | 32.1 | Very low | 33.9 | Very low | 86 Ų | 86 | 125.7 Ų | 125.7 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | | | cis | 99.5 | 121.9 | 25.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 239 | G | 32.6 | Very low | 34 | Very low | 72 Ų | 72 | 126.5 Ų | 126.5 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | cis | -158.2 | 150.9 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 240 | S | 32.9 | Very low | 33.8 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | | | | 57.1 | 115.1 | 78.7 | -167.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 241 | Q | 30.1 | Very low | 33.7 | Very low | 185 Ų | 185 | 121.5 Ų | 121.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -167.7 | 165.6 | 143.5 | -98.4 | -55.1 | -14.7 | 0 | 0 | 111.2 | | |
| 242 | R | 29.6 | Very low | 33.7 | Very low | 227 Ų | 227 | 122.2 Ų | 122.2 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | | | trans | -117.4 | -165.6 | -174.2 | -127 | -177.1 | 156.2 | -165.1 | -3.4 | 109.1 | | |
| 243 | P | 54.7 | Low | 34.1 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 58% | 0.584 | 81% | 0.806 | S | S | * | * | | | cis | -136.1 | 179.2 | -29.2 | 32.9 | -11.7 | 0 | 0 | 0 | 115.5 | | |
| 244 | T | 32 | Very low | 33.9 | Very low | 125 Ų | 125 | 118.2 Ų | 118.2 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | 68.4 | 128.1 | 143.3 | 40.1 | 0 | 0 | 0 | 0 | 125.4 | | |
| 245 | S | 35 | Very low | 33.9 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | trans | 76 | 122.3 | 133.2 | 64 | 0 | 0 | 0 | 0 | 124 | | |
| 246 | A | 36.4 | Very low | 34.4 | Very low | 112 Ų | 112 | 118.1 Ų | 118.1 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | | | trans | 63.7 | 129.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 247 | G | 30.8 | Very low | 34.1 | Very low | 76 Ų | 76 | 119 Ų | 119 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 165.4 | 140.8 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 248 | S | 35.6 | Very low | 34.5 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -139.9 | 127.4 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 249 | A | 33.3 | Very low | 34.5 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 88% | 0.884 | 79% | 0.785 | S | S | * | * | | | trans | 164.1 | 142.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 250 | G | 30.3 | Very low | 35.1 | Very low | 84 Ų | 84 | 126 Ų | 126 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | | | trans | 77.7 | 147.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 251 | G | 32.8 | Very low | 36.3 | Very low | 68 Ų | 68 | 125.1 Ų | 125.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | 163.9 | 158.3 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 252 | M | 31.8 | Very low | 36.5 | Very low | 174 Ų | 174 | 122.1 Ų | 122.1 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | 70.6 | 148.5 | -179.2 | -51.2 | -178.8 | 68.3 | 0 | 0 | 114.3 | | |
| 253 | L | 37.8 | Very low | 36.6 | Very low | 147 Ų | 147 | 114.6 Ų | 114.6 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | cis | -118.3 | 133.6 | 13.3 | -68.2 | 158.6 | 0 | 0 | 0 | 110.7 | | |
| 254 | D | 30.6 | Very low | 35.6 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | | | | 77.3 | 106.8 | 94.7 | -143.8 | -57.7 | 0 | 0 | 0 | 113.1 | | |
| 255 | T | 34.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 113.5 Ų | 113.5 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | | | | -164.6 | 153.2 | 87.5 | 25.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 256 | T | 41.7 | Very low | 35.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | | | trans | 58.4 | 80.5 | 157.9 | 53.7 | 0 | 0 | 0 | 0 | 120.9 | | |
| 257 | D | 29.5 | Very low | 35.2 | Very low | 137 Ų | 137 | 114.1 Ų | 114.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | | 18.8 | 123.7 | 117.9 | -164.4 | 8.3 | 0 | 0 | 0 | 120.9 | | |
| 258 | L | 41.2 | Very low | 36.7 | Very low | 172 Ų | 172 | 116.5 Ų | 116.5 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | | -158.7 | 153 | 124.6 | -109.9 | 170.1 | 0 | 0 | 0 | 110.5 | | |
| 259 | S | 31.8 | Very low | 36.6 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 79% | 0.791 | S | S | * | * | | | trans | -131.2 | 138.5 | -153.9 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 260 | V | 44.3 | Very low | 36.5 | Very low | 132 Ų | 132 | 113.9 Ų | 113.9 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | | 86.2 | 141.3 | 104.7 | 157.5 | 0 | 0 | 0 | 0 | 115 | | |
| 261 | P | 58.4 | Low | 36.6 | Very low | 102 Ų | 102 | 118.4 Ų | 118.4 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | | | cis | -149 | -169.9 | -24.7 | 43.6 | -23.8 | 0 | 0 | 0 | 116.9 | | |
| 262 | S | 35 | Very low | 36.5 | Very low | 123 Ų | 123 | 118.6 Ų | 118.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | 73.5 | 147.4 | 145.2 | -65.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 263 | G | 31.8 | Very low | 36.6 | Very low | 68 Ų | 68 | 119.7 Ų | 119.7 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | cis | 172.2 | 173.7 | -5.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 264 | A | 32.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 97% | 0.967 | 79% | 0.785 | S | S | * | * | | | trans | 65.3 | 150.6 | -176 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 265 | G | 30.3 | Very low | 37 | Very low | 75 Ų | 75 | 119.5 Ų | 119.5 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | cis | 171.4 | 168.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 266 | S | 31.6 | Very low | 37.8 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | cis | -162.8 | -177 | -6.6 | 55.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 267 | S | 33.5 | Very low | 37.5 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -117.5 | -175.9 | 179.4 | -29.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 268 | P | 61.5 | Low | 37.5 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | | | cis | -137.6 | 165.5 | -14.6 | 39.9 | -23.4 | 0 | 0 | 0 | 116.2 | | |
| 269 | A | 33.5 | Very low | 37 | Very low | 112 Ų | 112 | 120.3 Ų | 120.3 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | | | trans | 160.1 | 152.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 270 | G | 31.1 | Very low | 38.2 | Very low | 67 Ų | 67 | 121.9 Ų | 121.9 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | cis | 174 | 142.1 | -9.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 271 | N | 33.5 | Very low | 37.4 | Very low | 180 Ų | 180 | 120.3 Ų | 120.3 | 96% | 0.963 | 81% | 0.807 | S | S | * | * | | | trans | 64.7 | 151.2 | 178.7 | -55.7 | -2 | 0 | 0 | 0 | 117 | | |
| 272 | G | 30.7 | Very low | 36.2 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | cis | -179.7 | 129.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 273 | F | 34.3 | Very low | 36.1 | Very low | 197 Ų | 197 | 124 Ų | 124 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | 4.5 | 114.7 | 162.2 | -82.4 | -114.8 | 0 | 0 | 0 | 120.7 | | |
| 274 | V | 38.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | | | | 76.1 | 133.8 | 82.8 | -42.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 275 | N | 36.9 | Very low | 35.8 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | 37.1 | 150.9 | 138 | -80.1 | 16.5 | 0 | 0 | 0 | 122.6 | | |
| 276 | P | 53 | Low | 36.8 | Very low | 128 Ų | 128 | 128.7 Ų | 128.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | | -153.1 | -165.7 | 52.9 | 43.7 | -21.5 | 0 | 0 | 0 | 118.2 | | |
| 277 | R | 34.2 | Very low | 36.8 | Very low | 248 Ų | 248 | 128.8 Ų | 128.8 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | | | trans | -93.1 | 152.4 | 178.8 | 84.7 | -172 | -163 | -137.7 | 3.2 | 112.8 | | |
| 278 | G | 29.7 | Very low | 36.9 | Very low | 78 Ų | 78 | 127 Ų | 127 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -178.1 | 154.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 279 | S | 30.2 | Very low | 35.8 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -151 | 172.2 | 176.6 | 63.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 280 | P | 57.7 | Low | 35.8 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | cis | -130.5 | -154.4 | -5.5 | 33.2 | -9.9 | 0 | 0 | 0 | 112.5 | | |
| 281 | S | 28.1 | Very low | 36.4 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | 95.9 | 129.7 | 144 | -71.7 | 0 | 0 | 0 | 0 | 123.5 | | |
| 282 | L | 33.4 | Very low | 36.4 | Very low | 148 Ų | 148 | 126.6 Ų | 126.6 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | 75.5 | 109.8 | 142.8 | -63.2 | 166.2 | 0 | 0 | 0 | 122.8 | | |
| 283 | L | 31.9 | Very low | 36.9 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | | 59.4 | 143.5 | 127.6 | -67.3 | 174.9 | 0 | 0 | 0 | 123.8 | | |
| 284 | S | 27.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | 100.9 | 126.5 | 150.3 | -59.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 285 | T | 30.6 | Very low | 37 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | -90.4 | -170.4 | 166.2 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 286 | P | 51.1 | Low | 37.5 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | cis | -140.8 | -173.4 | 4.9 | 44.5 | -25.7 | 0 | 0 | 0 | 117.2 | | |
| 287 | S | 32.8 | Very low | 36.5 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | 67.9 | 148.9 | 161.8 | -58.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 288 | G | 35.7 | Very low | 36.4 | Very low | 74 Ų | 74 | 127 Ų | 127 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | cis | 169.6 | 173.4 | -2.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 289 | N | 36.6 | Very low | 36.8 | Very low | 165 Ų | 165 | 128.2 Ų | 128.2 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | | | cis | -165.1 | 146.4 | -7.8 | -164.5 | 32.7 | 0 | 0 | 0 | 111.3 | | |
| 290 | G | 34.4 | Very low | 37.4 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | | | trans | 95.7 | 158.9 | 155.8 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 291 | L | 43.5 | Very low | 37.2 | Very low | 179 Ų | 179 | 128.7 Ų | 128.7 | 94% | 0.937 | 79% | 0.785 | S | S | * | * | | | cis | -166.4 | 139.7 | -16.6 | -126.4 | 176.6 | 0 | 0 | 0 | 113 | | |
| 292 | G | 33.8 | Very low | 37.9 | Very low | 67 Ų | 67 | 129.5 Ų | 129.5 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | | | trans | 115.2 | 135.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 293 | K | 40.4 | Very low | 38.7 | Very low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | cis | -139.5 | 142 | -2.7 | -86.1 | -176 | 175.4 | 178.4 | 0 | 111.5 | | |
| 294 | V | 35.1 | Very low | 38.8 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | | | trans | -2.1 | 131.2 | 162.8 | -68.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 295 | M | 39.9 | Very low | 39.1 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 80% | 0.803 | 80% | 0.797 | S | S | * | * | | | | 86.8 | 152.4 | 54.1 | -84.4 | -162.9 | 174.9 | 0 | 0 | 114.7 | | |
| 296 | P | 46.9 | Very low | 39.3 | Very low | 124 Ų | 124 | 125.1 Ų | 125.1 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | | | cis | -133.2 | 177.9 | 25.3 | 43.6 | -27 | 0 | 0 | 0 | 119.1 | | |
| 297 | T | 33.4 | Very low | 38.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 63% | 0.626 | 81% | 0.811 | S | S | * | * | | | trans | -78.4 | 160.8 | -177.6 | 53 | 0 | 0 | 0 | 0 | 115.3 | | |
| 298 | K | 31.6 | Very low | 38.6 | Very low | 203 Ų | 203 | 126.5 Ų | 126.5 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | | | | -178 | 163.2 | 108.9 | -102.3 | 176.5 | 179.2 | 178.7 | 0 | 115.6 | | |
| 299 | S | 38.6 | Very low | 38.8 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -90.8 | 156.3 | -178.8 | 51.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 300 | P | 41.7 | Very low | 38.8 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 81% | 0.808 | S | S | * | * | | | trans | -85.3 | 160.9 | 164.6 | 34.7 | -33.1 | 0 | 0 | 0 | 113.3 | | |
| 301 | P | 53.4 | Low | 38.8 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | trans | -117 | 178.6 | -169.6 | 43.3 | -33.9 | 0 | 0 | 0 | 115.3 | | |
| 302 | P | 44.3 | Very low | 38.6 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -92.9 | -164 | 164.5 | 43.3 | -37.7 | 0 | 0 | 0 | 110.8 | | |
| 303 | P | 49 | Very low | 38.9 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | | | | -127.8 | 158 | -92.5 | 37.3 | -20 | 0 | 0 | 0 | 116.2 | | |
| 304 | G | 34.9 | Very low | 38.8 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | | | trans | 136.1 | 154.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 305 | G | 34.2 | Very low | 39 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | | | trans | 118.7 | 100.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 306 | N | 34.2 | Very low | 39 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 87% | 0.872 | 81% | 0.811 | S | S | * | * | | | trans | -60.9 | 142.5 | 175.6 | -86.5 | -6.7 | 0 | 0 | 0 | 114.3 | | |
| 307 | M | 34.7 | Very low | 39.2 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 96% | 0.956 | 81% | 0.811 | S | S | * | * | | | | -176.5 | 154.5 | 103.8 | -95 | -167.7 | -169.9 | 0 | 0 | 112.2 | | |
| 308 | G | 34.9 | Very low | 39.7 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | | | trans | 107.5 | 111.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 309 | M | 39.1 | Very low | 40.4 | Very low | 194 Ų | 194 | 137.4 Ų | 137.4 | 96% | 0.956 | 82% | 0.817 | S | S | * | * | | | trans | 36.2 | 145.9 | 149.2 | -86.4 | 54.9 | 147.8 | 0 | 0 | 123.5 | | |
| 310 | G | 36.3 | Very low | 40.7 | Very low | 77 Ų | 77 | 139.6 Ų | 139.6 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 92.6 | 108 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 311 | S | 35.7 | Very low | 41 | Very low | 88 Ų | 88 | 139 Ų | 139 | 62% | 0.615 | 82% | 0.815 | S | S | * | * | | | trans | -117.4 | 131.2 | -172.8 | -76.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 312 | R | 38.8 | Very low | 40.8 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | | | | 52.6 | 114 | 124.6 | -54.9 | 159.1 | -132.3 | -107 | -3.8 | 116.3 | | |
| 313 | K | 39 | Very low | 40.4 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | | 53.4 | 118.1 | 79.4 | -68.6 | -169.7 | 175.8 | -173.6 | 0 | 113.5 | | |
| 314 | P | 39.4 | Very low | 39.9 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -76.7 | 145 | 166.7 | 33.7 | -33.3 | 0 | 0 | 0 | 110.6 | | |
| 315 | D | 38.1 | Very low | 40 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 82% | 0.819 | S | S | * | * | | | trans | -149 | 131.2 | 169.7 | -169.2 | 9.3 | 0 | 0 | 0 | 107.5 | R317 | D315-R317 PolarHBondContact O-N 3.24Š|
| 316 | L | 40.7 | Very low | 39.8 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | | | trans | -79.3 | 123.9 | -170.9 | -87.1 | 83.1 | 0 | 0 | 0 | 110.5 | | |
| 317 | R | 50.6 | Low | 39.9 | Very low | 217 Ų | 217 | 145.7 Ų | 145.7 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | | | trans | -126.3 | 135.3 | 166.7 | -70.3 | -168.8 | -76.8 | 178.4 | -3.2 | 110.3 | D315 | D315-R317 PolarHBondContact O-N 3.24Š|
| 318 | V | 45.3 | Very low | 40.2 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | | | trans | -65.5 | 130.9 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 319 | V | 44.6 | Very low | 40.8 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | | | trans | -115.8 | 119.7 | -179 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 320 | I | 46.2 | Very low | 41.6 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 127.9 | 161.3 | -58.2 | 174.1 | 0 | 0 | 0 | 106.7 | | |
| 321 | P | 47.7 | Very low | 41.4 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 134.2 | -178 | 28.9 | -34 | 0 | 0 | 0 | 111.8 | | |
| 322 | P | 48.7 | Very low | 41.2 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 150.5 | 177.5 | 33.3 | -34.6 | 0 | 0 | 0 | 113 | | |
| 323 | S | 36.7 | Very low | 41 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 153.4 | 171.7 | 179.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 324 | S | 38.4 | Very low | 40.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -125.5 | 122.9 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 325 | K | 36 | Very low | 40.4 | Very low | 217 Ų | 217 | 148.3 Ų | 148.3 | 94% | 0.943 | 81% | 0.808 | S | S | * | * | | | trans | 34.1 | 120.6 | 148.8 | -55.7 | 176.7 | -178.6 | 178.3 | 0 | 118.1 | | |
| 326 | G | 31.6 | Very low | 40.3 | Very low | 76 Ų | 76 | 148.4 Ų | 148.4 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | cis | 128.3 | 146.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 327 | M | 35.4 | Very low | 39.8 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | | | trans | -159.9 | 146.9 | 170.6 | -103.3 | 157.1 | 69.4 | 0 | 0 | 109.2 | | |
| 328 | M | 40.8 | Very low | 39 | Very low | 163 Ų | 163 | 140.5 Ų | 140.5 | 80% | 0.803 | 80% | 0.799 | S | S | * | * | | | trans | -129.7 | 148.3 | 177.5 | -74.9 | -71.6 | -66.8 | 0 | 0 | 109.7 | | |
| 329 | P | 47.3 | Very low | 38.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | | | | -116.4 | 168.4 | 123.1 | -8.9 | 28.6 | 0 | 0 | 0 | 113.4 | | |
| 330 | P | 56.6 | Low | 38 | Very low | 106 Ų | 106 | 142 Ų | 142 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | | | trans | -113.6 | -166.2 | -162.8 | 43.4 | -35 | 0 | 0 | 0 | 115.4 | | |
| 331 | L | 31.6 | Very low | 37.4 | Very low | 156 Ų | 156 | 140.7 Ų | 140.7 | 82% | 0.817 | 80% | 0.804 | S | S | * | * | | | trans | 75.9 | 148.7 | -176.6 | -97.6 | 71 | 0 | 0 | 0 | 115.2 | | |
| 332 | N | 30.9 | Very low | 37 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 75% | 0.754 | 81% | 0.808 | S | S | * | * | | | cis | -139.2 | 164.8 | 2.2 | -162.7 | 7.9 | 0 | 0 | 0 | 111.8 | | |
| 333 | T | 36.3 | Very low | 36.4 | Very low | 125 Ų | 125 | 144 Ų | 144 | 77% | 0.767 | 81% | 0.809 | S | S | * | * | | | trans | -100.3 | 121.8 | 176.9 | -59 | 0 | 0 | 0 | 0 | 111.6 | | |
| 334 | Q | 34.2 | Very low | 36.6 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | -152.7 | 146.8 | 149.8 | -126.4 | 171.1 | 8.9 | 0 | 0 | 114.6 | | |
| 335 | R | 31.9 | Very low | 36.6 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | -107.8 | 123.5 | -178 | 168 | -145.9 | -60.2 | -138.1 | -0.4 | 108.6 | | |
| 336 | I | 35 | Very low | 36.8 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | -143.4 | 149 | 159 | -83.4 | 109.1 | 0 | 0 | 0 | 108.6 | | |
| 337 | S | 31.2 | Very low | 37.4 | Very low | 112 Ų | 112 | 143.2 Ų | 143.2 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | | | trans | -105.8 | 137.4 | 179.1 | -48.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 338 | S | 32.6 | Very low | 38 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -164.5 | 118.8 | 157.2 | 54.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 339 | S | 33.1 | Very low | 38 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | 30.7 | 121.9 | 137.9 | -51.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 340 | Q | 34.9 | Very low | 37.6 | Very low | 190 Ų | 190 | 138.2 Ų | 138.2 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | 40.8 | 117.3 | 130.6 | -58.2 | -173.4 | 52 | 0 | 0 | 120.7 | | |
| 341 | S | 35.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | | | | -161.3 | 156.9 | 118.5 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 342 | T | 37.5 | Very low | 37.2 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | | | trans | -107.5 | 125.6 | -175 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 343 | Q | 37.4 | Very low | 37.6 | Very low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | trans | -143.4 | 129.5 | 162.8 | -74.4 | -61.4 | -15.5 | 0 | 0 | 110.3 | | |
| 344 | P | 41.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 147 | 171.9 | 33.4 | -32.8 | 0 | 0 | 0 | 111.2 | A346 | P344-A346 PolarHBondContact O-N 2.91Š|
| 345 | L | 36.9 | Very low | 38.1 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.2 | 173.8 | -80.6 | 72.9 | 0 | 0 | 0 | 109.9 | | |
| 346 | A | 40.2 | Very low | 38.3 | Very low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 123.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P344 | P344-A346 PolarHBondContact O-N 2.91Š|
| 347 | T | 44.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 128.5 Ų | 128.5 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 130.6 | 167.3 | 45.6 | 0 | 0 | 0 | 0 | 109.8 | V349 | T347-V349 PolarHBondContact O-N 2.86Š|
| 348 | P | 47.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 120.1 | 178.2 | 27.8 | -33.1 | 0 | 0 | 0 | 110.8 | | |
| 349 | V | 40.8 | Very low | 39.9 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 126.4 | 168.5 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | T347 | T347-V349 PolarHBondContact O-N 2.86Š|
| 350 | V | 38.5 | Very low | 40.2 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -93.7 | 103.1 | 173.6 | -179.4 | 0 | 0 | 0 | 0 | 109 | | |
| 351 | S | 40.1 | Very low | 40.2 | Very low | 100 Ų | 100 | 127.2 Ų | 127.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | trans | -75.5 | 120.6 | 173 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | T353 | S351-T353 PolarHBondContact O-N 3.3Š|
| 352 | V | 41.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -94.7 | 93.2 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | T354 | V352-T354 PolarHBondContact O-N 3.37Š|
| 353 | T | 39.6 | Very low | 40 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | | | trans | -80.9 | 110.1 | -178.1 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | S351 | S351-T353 PolarHBondContact O-N 3.3Š|
| 354 | T | 41 | Very low | 39.6 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | | | trans | -69.9 | 126.9 | 173.5 | 47 | 0 | 0 | 0 | 0 | 111.7 | V352 S356 | V352-T354 PolarHBondContact O-N 3.37Å; T354-S356 PolarHBondContact O-N 3.27Å |
| 355 | P | 39 | Very low | 39 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -76.5 | 112.3 | 175 | 30 | -32.9 | 0 | 0 | 0 | 111.1 | | |
| 356 | S | 35.6 | Very low | 38.8 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 117.3 | 174.8 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | T354 | T354-S356 PolarHBondContact O-N 3.27Š|
| 357 | L | 46.3 | Very low | 38.6 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 142.4 | 171.1 | -73.8 | 168.6 | 0 | 0 | 0 | 111.3 | | |
| 358 | P | 43.1 | Very low | 38.7 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 144.7 | 178.8 | 32.5 | -34.8 | 0 | 0 | 0 | 112 | | |
| 359 | P | 42.9 | Very low | 37.8 | Very low | 128 Ų | 128 | 128.4 Ų | 128.4 | 83% | 0.831 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 136.1 | 174.7 | 31.7 | -33.5 | 0 | 0 | 0 | 111.9 | | |
| 360 | Q | 39.3 | Very low | 37.4 | Very low | 190 Ų | 190 | 126.2 Ų | 126.2 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | | | trans | -123.6 | 140.8 | 158.4 | -64.8 | -167 | 7.1 | 0 | 0 | 108.8 | | |
| 361 | G | 35.8 | Very low | 37 | Very low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | | | trans | -85.7 | -175.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 362 | L | 35.5 | Very low | 36.9 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | | | cis | -155.2 | -171.1 | 13.4 | -85.1 | 174.1 | 0 | 0 | 0 | 109.4 | | |
| 363 | V | 32 | Very low | 36.9 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 72% | 0.715 | 78% | 0.778 | S | S | * | * | | | trans | 93.2 | 97.7 | 147 | -159.2 | 0 | 0 | 0 | 0 | 119.2 | | |
| 364 | Y | 29 | Very low | 36.8 | Very low | 213 Ų | 213 | 130.2 Ų | 130.2 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | 62.9 | 164.2 | 147.9 | -81 | -112.5 | 0 | 0 | 0 | 118.8 | | |
| 365 | S | 30.9 | Very low | 36.6 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | | | cis | -138.7 | 152.2 | 7.6 | -164.4 | 0 | 0 | 0 | 0 | 112.3 | | |
| 366 | G | 32.1 | Very low | 36.9 | Very low | 66 Ų | 66 | 136.7 Ų | 136.7 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | | | trans | -137.8 | 132.7 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 367 | M | 35.8 | Very low | 36.7 | Very low | 158 Ų | 158 | 137 Ų | 137 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | -138 | 153.7 | -176.6 | -71.6 | -65 | 155.9 | 0 | 0 | 110.5 | | |
| 368 | P | 46.9 | Very low | 36.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | trans | -122.8 | 163.1 | -130.7 | 41.2 | -32.9 | 0 | 0 | 0 | 116.3 | | |
| 369 | T | 29 | Very low | 36.2 | Very low | 144 Ų | 144 | 136.8 Ų | 136.8 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | | | trans | -174.1 | 146 | 149.4 | -82.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 370 | A | 30.9 | Very low | 36.3 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | cis | -169.4 | 129.7 | -41 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 371 | Y | 31.6 | Very low | 36.5 | Very low | 238 Ų | 238 | 130.5 Ų | 130.5 | 93% | 0.933 | 76% | 0.761 | S | S | * | * | | | trans | -167.7 | 159.1 | 138 | -128 | -95.2 | 0 | 0 | 0 | 111.4 | | |
| 372 | N | 37.7 | Very low | 36.7 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | | | trans | -76.5 | 150 | 177.4 | -123.5 | -48.5 | 0 | 0 | 0 | 110.6 | A374 | N372-A374 PolarHBondContact OD1-N 3.07Š|
| 373 | P | 41.9 | Very low | 37 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | | -138 | 135.8 | 78.6 | 36.6 | -22.5 | 0 | 0 | 0 | 115.1 | | |
| 374 | A | 37.4 | Very low | 37.5 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 61% | 0.612 | 77% | 0.766 | S | S | * | * | | | trans | -81.2 | 138 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N372 | N372-A374 PolarHBondContact OD1-N 3.07Š|
| 375 | E | 36.3 | Very low | 38.1 | Very low | 169 Ų | 169 | 127.7 Ų | 127.7 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | | | trans | 178.5 | 161.2 | 132.2 | -95.8 | 161.8 | -135.4 | 0 | 0 | 108.6 | | |
| 376 | Y | 44.4 | Very low | 38.5 | Very low | 210 Ų | 210 | 131.3 Ų | 131.3 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 63.5 | 65.7 | -178.2 | -57.5 | -77.9 | 0 | 0 | 0 | 117.6 | | |
| 377 | S | 32.8 | Very low | 38.9 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -66.5 | 131.8 | 149.3 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 378 | L | 38.8 | Very low | 38.7 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -112.4 | 143.4 | 165.2 | -73.1 | 177.9 | 0 | 0 | 0 | 110.6 | | |
| 379 | S | 40 | Very low | 38 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | -82.8 | 142.1 | -171.4 | -169.3 | 0 | 0 | 0 | 0 | 112.2 | A381 | S379-A381 VanDerWaalsContact C-N 3.3Å; S379-A381 PolarHBondContact O-N 3.3Å |
| 380 | S | 43.7 | Very low | 38.1 | Very low | 123 Ų | 123 | 136 Ų | 136 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 75.5 | 175.9 | 58.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 381 | A | 43.9 | Very low | 38.1 | Very low | 63 Ų | 63 | 137.8 Ų | 137.8 | 52% | 0.521 | 78% | 0.782 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.9 | -35.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S379 I383 | S379-A381 VanDerWaalsContact C-N 3.3Å; S379-A381 PolarHBondContact O-N 3.3Å; A381-I383 VanDerWaalsContact C-N 3.34Å; A381-I383 PolarHBondContact O-N 2.88Å |
| 382 | D | 40.2 | Very low | 38.7 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 4.6 | -164.9 | -57.8 | -56.8 | 0 | 0 | 0 | 116.1 | S384 | D382-S384 VanDerWaalsContact C-N 3.29Š|
| 383 | I | 42.7 | Very low | 38.2 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -5.7 | 179.6 | -52.7 | 178.8 | 0 | 0 | 0 | 111.5 | A381 S385 | A381-I383 VanDerWaalsContact C-N 3.34Å; A381-I383 PolarHBondContact O-N 2.88Å; I383-S385 PolarHBondContact O-N 3.31Å |
| 384 | S | 41.9 | Very low | 37.7 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -95.6 | 31.4 | -175.5 | -63.9 | 0 | 0 | 0 | 0 | 114.7 | D382 | D382-S384 VanDerWaalsContact C-N 3.29Š|
| 385 | S | 41.5 | Very low | 37.5 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | -148.4 | 73.4 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | I383 | I383-S385 PolarHBondContact O-N 3.31Š|
| 386 | L | 39.2 | Very low | 37.3 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | | | trans | -177.3 | 81.2 | 143.2 | -100.7 | 160.9 | 0 | 0 | 0 | 111.6 | | |
| 387 | Q | 40.1 | Very low | 36.6 | Very low | 202 Ų | 202 | 128.8 Ų | 128.8 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | | | trans | -92.9 | 133 | 151.3 | -81.1 | -161.9 | -15 | 0 | 0 | 109 | | |
| 388 | G | 31.1 | Very low | 36.5 | Very low | 54 Ų | 54 | 128.2 Ų | 128.2 | 56% | 0.557 | 80% | 0.796 | S | S | * | * | | | trans | 120.7 | 97.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 389 | F | 33.6 | Very low | 36.1 | Very low | 212 Ų | 212 | 128.4 Ų | 128.4 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | | | | -169.2 | 110.2 | 117.9 | -102.2 | -66.3 | 0 | 0 | 0 | 109.4 | | |
| 390 | S | 31 | Very low | 35.9 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -98.6 | 142.2 | 169.5 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 391 | S | 31.5 | Very low | 35.2 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -156.8 | 156.1 | 166.9 | -85.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 392 | P | 43.2 | Very low | 34.6 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -113.5 | 162.7 | -149 | 39.9 | -32.1 | 0 | 0 | 0 | 114.4 | | |
| 393 | G | 28.2 | Very low | 34.2 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | | | trans | 165.1 | 94 | 162 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 394 | L | 31.5 | Very low | 33.8 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 97% | 0.969 | 82% | 0.815 | S | S | * | * | | | trans | 145.7 | 117.6 | 130.6 | -77.1 | 175.7 | 0 | 0 | 0 | 111.4 | | |
| 395 | S | 31.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 138.9 Ų | 138.9 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -97.5 | 142.2 | 178.5 | 43.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 396 | L | 32.4 | Very low | 32.9 | Very low | 176 Ų | 176 | 141.7 Ų | 141.7 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | | | trans | -140.2 | 134 | 174.8 | -173.8 | 67.3 | 0 | 0 | 0 | 110.8 | | |
| 397 | G | 30.2 | Very low | 32.6 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 62.5 | 82.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 398 | S | 30.1 | Very low | 32.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -71 | 133.2 | 157.6 | -177 | 0 | 0 | 0 | 0 | 110.2 | | |
| 399 | M | 31.9 | Very low | 32.2 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -133.6 | 150.7 | 164.4 | -86.9 | -71.1 | 107.1 | 0 | 0 | 109.1 | | |
| 400 | S | 35 | Very low | 32.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -70.5 | 149 | -156.6 | -53.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 401 | A | 29.9 | Very low | 32.3 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 81% | 0.808 | S | S | * | * | | | trans | -66.6 | 158.1 | 167 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 402 | W | 30.3 | Very low | 32.3 | Very low | 249 Ų | 249 | 138.9 Ų | 138.9 | 94% | 0.943 | 81% | 0.813 | S | S | * | * | | | trans | -155.2 | 147.3 | 140.5 | -104.9 | 94.9 | 0 | 0 | 0 | 111.4 | | |
| 403 | Q | 32.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 139.9 Ų | 139.9 | 67% | 0.668 | 81% | 0.812 | S | S | * | * | | | trans | -41.7 | 146.6 | -177.8 | -141.5 | 78.8 | -14.9 | 0 | 0 | 117.6 | | |
| 404 | Q | 33.5 | Very low | 31.6 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | | | | -163.7 | 152.6 | 110.4 | -159.1 | 140.8 | -81.7 | 0 | 0 | 114.8 | | |
| 405 | H | 33 | Very low | 31.7 | Very low | 128 Ų | 128 | 140.8 Ų | 140.8 | 59% | 0.593 | 81% | 0.808 | S | S | * | * | | | trans | -52.8 | 140.7 | -168.9 | -95 | -139.1 | 0 | 0 | 0 | 122.6 | | |
| 406 | Q | 31.8 | Very low | 31.6 | Very low | 150 Ų | 150 | 141.8 Ų | 141.8 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | | 55.1 | 142.3 | 117.4 | -61.7 | -178 | -13.2 | 0 | 0 | 124.8 | | |
| 407 | L | 33.1 | Very low | 31.4 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | 93.1 | 135 | 155.4 | -109.1 | 74.1 | 0 | 0 | 0 | 117 | | |
| 408 | G | 31.2 | Very low | 31.3 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | | | cis | -167.5 | 171.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 409 | Q | 31.4 | Very low | 31.3 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | trans | -98.8 | 138.6 | -169.6 | -64.9 | 175.7 | -21.9 | 0 | 0 | 115 | | |
| 410 | A | 34.1 | Very low | 31.2 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 171.7 | 127.3 | 140.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 411 | A | 31.6 | Very low | 31.2 | Very low | 93 Ų | 93 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | cis | 71.8 | 103.8 | 30.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 412 | L | 32.5 | Very low | 32 | Very low | 179 Ų | 179 | 140 Ų | 140 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | | | | -168.5 | 165.4 | 123.4 | -99.1 | 178.1 | 0 | 0 | 0 | 111.1 | | |
| 413 | N | 28.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 137 Ų | 137 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | | | trans | -104.9 | 157.3 | -165.5 | -81 | -23.4 | 0 | 0 | 0 | 114.7 | | |
| 414 | S | 28.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | | | trans | 44 | 130 | 142.2 | -55.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 415 | L | 31.8 | Very low | 31.9 | Very low | 171 Ų | 171 | 130.5 Ų | 130.5 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | | -159.2 | 176.5 | 104.4 | -134.7 | 66.2 | 0 | 0 | 0 | 113.7 | | |
| 416 | V | 29.7 | Very low | 31.7 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -110.9 | 148.7 | -172.6 | 168.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 417 | G | 29.2 | Very low | 31.7 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | | | trans | 158.2 | 111.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 418 | G | 28.5 | Very low | 31.8 | Very low | 71 Ų | 71 | 128.7 Ų | 128.7 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | | 73.2 | 90.7 | 124.1 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 419 | S | 28.8 | Very low | 31.8 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | | | | 36.1 | 122.6 | 127.7 | 59.9 | 0 | 0 | 0 | 0 | 122.7 | | |
| 420 | H | 30.9 | Very low | 31.8 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | | -175.8 | 167 | 111.8 | 55.8 | -78.4 | 0 | 0 | 0 | 113.9 | | |
| 421 | L | 35.3 | Very low | 31.6 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | -90.7 | 173.1 | 172.6 | -118.6 | 74.8 | 0 | 0 | 0 | 110.3 | | |
| 422 | P | 44.8 | Very low | 31.6 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | | | cis | -151.2 | 174.4 | 37.8 | 43.5 | -22.3 | 0 | 0 | 0 | 120 | | |
| 423 | Q | 34 | Very low | 31.6 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | trans | 58.4 | 139.6 | 142.4 | -75.8 | 169.5 | -7.7 | 0 | 0 | 124.2 | | |
| 424 | G | 27.7 | Very low | 31.6 | Very low | 72 Ų | 72 | 128.4 Ų | 128.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | 91.8 | 137.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 425 | S | 33.2 | Very low | 31.9 | Very low | 128 Ų | 128 | 131.1 Ų | 131.1 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | | | cis | -148.9 | 164.3 | 14.4 | -69 | 0 | 0 | 0 | 0 | 112.1 | | |
| 426 | N | 29.5 | Very low | 32 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 75% | 0.749 | 79% | 0.786 | S | S | * | * | | | trans | -100.2 | 134.3 | 177.8 | -172.3 | -59.7 | 0 | 0 | 0 | 110.9 | | |
| 427 | L | 31.3 | Very low | 32.4 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -140.4 | 124.9 | 165.2 | -82.1 | 176.6 | 0 | 0 | 0 | 110.1 | | |
| 428 | S | 35.3 | Very low | 32.6 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -118.4 | 129 | 173.6 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 429 | I | 30.7 | Very low | 33.3 | Very low | 154 Ų | 154 | 138.3 Ų | 138.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -135 | 127.8 | 170 | -62.5 | -177.1 | 0 | 0 | 0 | 108 | T431 | I429-T431 HydrophobicContact CG2-CG2 4.33Š|
| 430 | S | 32 | Very low | 34.3 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -99.2 | 130.1 | 171.1 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 431 | T | 30.5 | Very low | 35 | Very low | 132 Ų | 132 | 138.9 Ų | 138.9 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -138.4 | 155.3 | 162.7 | 54.4 | 0 | 0 | 0 | 0 | 109.3 | I429 | I429-T431 HydrophobicContact CG2-CG2 4.33Š|
| 432 | S | 30.5 | Very low | 35.5 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | | | trans | -133.3 | 158.6 | -168.8 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 433 | Q | 33.3 | Very low | 35.2 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | | | trans | 67.6 | 126.8 | 175.5 | -47.2 | -176.5 | 11.7 | 0 | 0 | 114.5 | | |
| 434 | S | 28.6 | Very low | 35.9 | Very low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | | | | 177.1 | 154.2 | 74.8 | 45.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 435 | I | 35 | Very low | 36.6 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | 48.6 | 150.3 | 155.1 | 65 | 172.3 | 0 | 0 | 0 | 121 | | |
| 436 | N | 32.6 | Very low | 37 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | | | cis | -168.1 | 124.7 | -20.6 | 165.9 | 2.9 | 0 | 0 | 0 | 106 | | |
| 437 | I | 38.5 | Very low | 37.4 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | | | trans | -121.3 | 121.5 | 167.9 | -61.8 | -178.3 | 0 | 0 | 0 | 109.1 | | |
| 438 | K | 33.2 | Very low | 37.7 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 120.1 | -171.2 | 170.7 | -177.4 | 169.9 | -173.3 | 0 | 111.5 | | |
| 439 | S | 43.7 | Very low | 37.6 | Very low | 109 Ų | 109 | 150 Ų | 150 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 160.9 | 172.3 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 440 | E | 50 | Low | 38 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 153.3 | 176.4 | -66.6 | -172.3 | 115.4 | 0 | 0 | 112.5 | | |
| 441 | P | 45 | Very low | 38.1 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 129.3 | -178.5 | 29.3 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 442 | I | 45.9 | Very low | 38.6 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 84% | 0.841 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 144.5 | 174.2 | -131.9 | 164.6 | 0 | 0 | 0 | 110.5 | | |
| 443 | S | 38.1 | Very low | 38.6 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 136.2 | 176.4 | -70.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 444 | P | 50 | Low | 38.6 | Very low | 113 Ų | 113 | 147.3 Ų | 147.3 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 146 | -177.8 | 28.3 | -34.8 | 0 | 0 | 0 | 112.3 | | |
| 445 | P | 40.7 | Very low | 39.4 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 141 | 178.2 | 28.8 | -34.9 | 0 | 0 | 0 | 111.4 | E447 | P445-E447 PolarHBondContact O-N 2.84Š|
| 446 | R | 43.3 | Very low | 40.3 | Very low | 251 Ų | 251 | 145.6 Ų | 145.6 | 95% | 0.947 | 80% | 0.797 | S | S | * | * | | | trans | -95.4 | 85.8 | -175.3 | -163.4 | 174.9 | -166.3 | 155.4 | 3.9 | 111.1 | | |
| 447 | E | 37.9 | Very low | 40.2 | Very low | 168 Ų | 168 | 148.7 Ų | 148.7 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -61.6 | 151.3 | 179 | -66.3 | -163.4 | 144.9 | 0 | 0 | 113.6 | P445 V449 | P445-E447 PolarHBondContact O-N 2.84Å; E447-V449 PolarHBondContact O-N 3.15Å |
| 448 | R | 36.7 | Very low | 40.1 | Very low | 235 Ų | 235 | 149.7 Ų | 149.7 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | | | trans | -92.4 | 91.8 | -178 | -178.7 | -173.4 | -71.5 | 148.9 | -2.4 | 110.3 | T450 | R448-T450 PolarHBondContact O-N 3.44Š|
| 449 | V | 33.8 | Very low | 41 | Very low | 129 Ų | 129 | 145.6 Ų | 145.6 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | | | trans | -77.8 | 109.6 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | E447 | E447-V449 PolarHBondContact O-N 3.15Š|
| 450 | T | 37.6 | Very low | 40.4 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | | | trans | -89.2 | 126.5 | 160.6 | 45 | 0 | 0 | 0 | 0 | 109.8 | R448 | R448-T450 PolarHBondContact O-N 3.44Š|
| 451 | P | 35.8 | Very low | 39.5 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 130.6 | -179.5 | 32.2 | -33.2 | 0 | 0 | 0 | 112.3 | | |
| 452 | S | 39.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | | | trans | -153.9 | 155.3 | 166.5 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 453 | G | 31.7 | Very low | 38 | Very low | 63 Ų | 63 | 143 Ų | 143 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | | | trans | 150.2 | 150.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 454 | F | 32.7 | Very low | 37.6 | Very low | 204 Ų | 204 | 143 Ų | 143 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | | | cis | -173.3 | 172.6 | 3.8 | -107.9 | -58.7 | 0 | 0 | 0 | 106.3 | | |
| 455 | P | 45 | Very low | 36.6 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | cis | -132 | -134.8 | -11.8 | 43.8 | -21.5 | 0 | 0 | 0 | 112.3 | | |
| 456 | P | 54 | Low | 36.1 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -135.3 | 177.5 | -134.6 | 37.3 | -12.5 | 0 | 0 | 0 | 118.2 | | |
| 457 | Q | 30.5 | Very low | 35.5 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 93% | 0.93 | 79% | 0.789 | S | S | * | * | | | trans | -163.1 | 158.6 | 139.8 | -113.9 | 173.3 | 17.3 | 0 | 0 | 115.7 | | |
| 458 | Q | 36.3 | Very low | 35.1 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 91% | 0.907 | 78% | 0.784 | S | S | * | * | | | trans | -82.7 | -176.3 | -156.1 | -97.9 | -167.9 | -32.2 | 0 | 0 | 117.6 | | |
| 459 | P | 52.7 | Low | 35 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | | | trans | -125.7 | -176.8 | -147.3 | 46.7 | -36.5 | 0 | 0 | 0 | 116.6 | | |
| 460 | Q | 30.7 | Very low | 34.8 | Very low | 157 Ų | 157 | 136.9 Ų | 136.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | | | trans | -163.5 | 146 | 145.4 | -118.8 | 178.3 | -44.2 | 0 | 0 | 114.9 | | |
| 461 | Q | 31.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 143.5 Ų | 143.5 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | 40 | 154.7 | 143.9 | -69.1 | 165.8 | 8.2 | 0 | 0 | 121.8 | | |
| 462 | G | 29.2 | Very low | 34.6 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | cis | -176.6 | 172.7 | 1.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 463 | S | 30.5 | Very low | 35 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -110.6 | 142.9 | -171.4 | 176.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 464 | S | 31.1 | Very low | 35.2 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | | 174.3 | 149.4 | 128.7 | 45.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 465 | R | 28.9 | Very low | 35.3 | Very low | 225 Ų | 225 | 142 Ų | 142 | 85% | 0.849 | 79% | 0.794 | S | S | * | * | | | trans | 60.5 | 95.5 | 146 | -76.2 | -179.9 | 157.9 | -178.6 | -7.6 | 123.3 | | |
| 466 | Q | 29.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | | | | 54.8 | 122.2 | 97.6 | -166.3 | 171.8 | 5.6 | 0 | 0 | 122 | | |
| 467 | E | 31.1 | Very low | 33.6 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | | | trans | 69.6 | 144.6 | 155.4 | -73.8 | 166.5 | -141.7 | 0 | 0 | 119 | | |
| 468 | V | 29.8 | Very low | 33.7 | Very low | 113 Ų | 113 | 142 Ų | 142 | 69% | 0.685 | 81% | 0.806 | S | S | * | * | | | cis | -155.8 | 153.6 | 14.7 | 99.5 | 0 | 0 | 0 | 0 | 113 | | |
| 469 | L | 33.1 | Very low | 33.6 | Very low | 165 Ų | 165 | 138.3 Ų | 138.3 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | 44.5 | 119.1 | 166.8 | -87.3 | 68.8 | 0 | 0 | 0 | 121.4 | | |
| 470 | G | 30.1 | Very low | 32.8 | Very low | 75 Ų | 75 | 139.4 Ų | 139.4 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -156.4 | 7.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 471 | R | 34.1 | Very low | 32.8 | Very low | 253 Ų | 253 | 138 Ų | 138 | 96% | 0.955 | 82% | 0.818 | S | S | * | * | | | trans | 64.7 | 122.9 | 177.7 | -59.8 | 177.6 | 177.9 | -104.7 | -0.3 | 118 | | |
| 472 | S | 34.9 | Very low | 32.9 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | -105.4 | 171.4 | 167.3 | -79.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 473 | P | 48.4 | Very low | 33.2 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | | | cis | -144 | 152.7 | 26 | 41.5 | -21.5 | 0 | 0 | 0 | 120.7 | | |
| 474 | A | 34.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 141.2 Ų | 141.2 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | | | trans | 36.5 | 127.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 475 | D | 34.9 | Very low | 33.4 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 81% | 0.809 | S | S | * | * | | | trans | -66.5 | 148.3 | 156.7 | -58.5 | -91.7 | 0 | 0 | 0 | 113.8 | | |
| 476 | S | 32.9 | Very low | 33.6 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -168.8 | 110.4 | 137.9 | -83.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 477 | L | 31.8 | Very low | 34 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 94% | 0.942 | 80% | 0.803 | S | S | * | * | | | trans | -82.2 | 126.3 | -178.1 | -68.4 | 173.8 | 0 | 0 | 0 | 111.8 | | |
| 478 | S | 32.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -154.8 | 112.5 | 167.5 | -163.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 479 | S | 33.2 | Very low | 34.5 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 177.9 | 135.2 | 151.5 | 35 | 0 | 0 | 0 | 0 | 110.8 | | |
| 480 | S | 37.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -91.8 | 128.9 | 158.4 | -60.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 481 | C | 29.8 | Very low | 34.8 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -120.2 | 165.4 | 175.4 | -157.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 482 | S | 33.7 | Very low | 35.1 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 66% | 0.664 | 78% | 0.784 | S | S | * | * | | | trans | -104.6 | 169.4 | -161.6 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 483 | S | 36.2 | Very low | 34.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | | | trans | 58.5 | 124.6 | 141.5 | 59.2 | 0 | 0 | 0 | 0 | 120.2 | | |
| 484 | Y | 29.6 | Very low | 34 | Very low | 236 Ų | 236 | 136.3 Ų | 136.3 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | | | trans | -138.1 | 160.2 | 134.7 | -164.9 | -113.6 | 0 | 0 | 0 | 110.5 | | |
| 485 | D | 36.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 136.7 Ų | 136.7 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | | | trans | -109.2 | 172.8 | -173.3 | -176.8 | 63 | 0 | 0 | 0 | 111.1 | | |
| 486 | G | 32.2 | Very low | 33.7 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 177.5 | 95.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 487 | S | 38 | Very low | 33.6 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 78% | 0.776 | S | S | * | * | | | trans | -97 | 149.4 | 177.1 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 488 | D | 34 | Very low | 33.6 | Very low | 139 Ų | 139 | 137.5 Ų | 137.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | | -161.7 | 135 | 117.7 | -110.9 | -149.5 | 0 | 0 | 0 | 108.9 | | |
| 489 | R | 37.7 | Very low | 35 | Very low | 185 Ų | 185 | 137 Ų | 137 | 70% | 0.698 | 76% | 0.757 | S | S | * | * | | | | 66.8 | 142 | 67.4 | -56.4 | -179.1 | 90.7 | 145.4 | 12.5 | 113.2 | | |
| 490 | E | 36.3 | Very low | 34.9 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | | | cis | -148.9 | 176.1 | -9.2 | -140.1 | 83.3 | 109.4 | 0 | 0 | 104.7 | | |
| 491 | D | 32.9 | Very low | 34.6 | Very low | 133 Ų | 133 | 137 Ų | 137 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | cis | -156 | 178.4 | 4 | 177.2 | 37.4 | 0 | 0 | 0 | 108.3 | | |
| 492 | H | 39.5 | Very low | 34.8 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | | | trans | -141.5 | 108.7 | 173.5 | -88.6 | 11.9 | 0 | 0 | 0 | 113.6 | | |
| 493 | R | 32.1 | Very low | 34.5 | Very low | 212 Ų | 212 | 139.3 Ų | 139.3 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | trans | -165.2 | 137.2 | 151.6 | -136.3 | 175.4 | 170.4 | 145 | 2.3 | 118.1 | D495 | R493-D495 IonicContact CZ-OD2 3.05Å; R493-D495 IonicContact NE-OD2 3.86Å; R493-D495 PolarHBondContact NE-OD2 2.68Å; R493-D495 IonicContact NH2-OD2 2.9Å; R493-D495 PolarHBondContact NH2-OD2 3.01Å |
| 494 | A | 30 | Very low | 34.2 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | trans | -160.6 | 142.6 | 140.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 495 | D | 30.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 56% | 0.561 | 77% | 0.766 | S | S | * | * | | | trans | -110.3 | 147.9 | -172.9 | -84.5 | -73.2 | 0 | 0 | 0 | 112.2 | R493 | R493-D495 IonicContact CZ-OD2 3.05Å; R493-D495 IonicContact NE-OD2 3.86Å; R493-D495 PolarHBondContact NE-OD2 2.68Å; R493-D495 IonicContact NH2-OD2 2.9Å; R493-D495 PolarHBondContact NH2-OD2 3.01Å |
| 496 | F | 31.9 | Very low | 35.7 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 78% | 0.781 | 77% | 0.772 | S | S | * | * | | | trans | 38.5 | 128.5 | 158.4 | -83.8 | -95.1 | 0 | 0 | 0 | 122.9 | | |
| 497 | H | 31 | Very low | 35.7 | Very low | 195 Ų | 195 | 141.2 Ų | 141.2 | 90% | 0.903 | 78% | 0.779 | S | S | * | * | | | | -166.4 | 167.8 | 119.3 | -102.1 | -71 | 0 | 0 | 0 | 111.5 | | |
| 498 | S | 32 | Very low | 35.3 | Very low | 96 Ų | 96 | 140.5 Ų | 140.5 | 67% | 0.671 | 79% | 0.787 | S | S | * | * | | | trans | -116.7 | -164.7 | -164.2 | -39.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 499 | P | 60.9 | Low | 35.3 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | | | | -127 | -161 | -59.4 | 29.9 | -8.2 | 0 | 0 | 0 | 112.9 | | |
| 500 | L | 31.5 | Very low | 35 | Very low | 176 Ų | 176 | 140 Ų | 140 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | trans | 93.2 | 152.1 | 162.5 | -52.7 | 170.6 | 0 | 0 | 0 | 119 | | |
| 501 | G | 29.8 | Very low | 34.8 | Very low | 72 Ų | 72 | 140.8 Ų | 140.8 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | | | trans | 111.5 | 85.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 502 | L | 33.8 | Very low | 34.8 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 98% | 0.984 | 81% | 0.811 | S | S | * | * | | | | 48.8 | 104.5 | 78.9 | -94.8 | 163.3 | 0 | 0 | 0 | 115.3 | | |
| 503 | G | 29 | Very low | 34.4 | Very low | 84 Ų | 84 | 141.6 Ų | 141.6 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | | | trans | 169.4 | 102.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 504 | R | 29 | Very low | 34.5 | Very low | 242 Ų | 242 | 136.6 Ų | 136.6 | 91% | 0.913 | 80% | 0.799 | S | S | * | * | | | trans | -125.7 | 162.8 | 159.9 | -143.9 | -159.1 | 161.6 | -167 | -3.8 | 104.8 | | |
| 505 | P | 43.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | | | cis | -136.9 | -134.4 | 8.3 | 50.9 | -29.9 | 0 | 0 | 0 | 111.7 | | |
| 506 | P | 54.6 | Low | 35.1 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | trans | -128.6 | 169 | -147.2 | 41 | -19.6 | 0 | 0 | 0 | 118.5 | | |
| 507 | A | 30.9 | Very low | 35.4 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | | | trans | -161.5 | 157.5 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 508 | G | 29.6 | Very low | 36 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | cis | 144.2 | 68 | -6.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 509 | S | 33.7 | Very low | 36.4 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | trans | -159.8 | 143.4 | 170.4 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 510 | E | 31.5 | Very low | 35.3 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | | | trans | -87.6 | 149 | 178.9 | -60.9 | 156.5 | 88.2 | 0 | 0 | 111.8 | | |
| 511 | D | 33.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | | | trans | -162.9 | 174.5 | 131 | -133 | -43.6 | 0 | 0 | 0 | 113 | | |
| 512 | R | 32.5 | Very low | 35.9 | Very low | 192 Ų | 192 | 151.8 Ų | 151.8 | 73% | 0.725 | 83% | 0.825 | S | S | * | * | | | trans | -99.6 | 159.4 | -148.6 | -60.2 | 157.2 | 54.6 | 166.4 | -4.4 | 117.8 | | |
| 513 | E | 30.1 | Very low | 36.3 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | | 111.9 | 116.8 | 126 | -142.2 | 124.2 | 133.5 | 0 | 0 | 121.5 | | |
| 514 | S | 33.8 | Very low | 36.7 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | | | trans | 64.3 | 117.5 | 144 | -69.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 515 | P | 40.1 | Very low | 37.6 | Very low | 122 Ų | 122 | 148 Ų | 148 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -89.1 | 143.2 | 164.6 | 35.5 | -32.7 | 0 | 0 | 0 | 113.4 | V517 | P515-V517 PolarHBondContact O-N 3.24Š|
| 516 | S | 34.4 | Very low | 37.6 | Very low | 123 Ų | 123 | 148.9 Ų | 148.9 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -86.5 | 106.4 | -178 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | K518 | S516-K518 PolarHBondContact O-N 3.18Š|
| 517 | V | 37.2 | Very low | 37.2 | Very low | 138 Ų | 138 | 153 Ų | 153 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -73 | 123.3 | 177.7 | 178.6 | 0 | 0 | 0 | 0 | 111.3 | P515 R519 | P515-V517 PolarHBondContact O-N 3.24Å; V517-R519 PolarHBondContact O-N 2.8Å |
| 518 | K | 45.3 | Very low | 37.5 | Very low | 205 Ų | 205 | 155.4 Ų | 155.4 | 89% | 0.891 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121.2 | 172.7 | -77.5 | -178.9 | 176.5 | 175 | 0 | 110.6 | S516 L520 | S516-K518 PolarHBondContact O-N 3.18Å; K518-L520 PolarHBondContact O-N 3.46Å |
| 519 | R | 40.1 | Very low | 37.9 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 119.3 | -174.8 | -166.3 | 177.6 | -63.7 | 174 | 1.1 | 111.2 | V517 | V517-R519 PolarHBondContact O-N 2.8Š|
| 520 | L | 36.2 | Very low | 38.2 | Very low | 158 Ų | 158 | 161.4 Ų | 161.4 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 138.2 | 171.3 | -164 | 81.2 | 0 | 0 | 0 | 109.9 | K518 | K518-L520 PolarHBondContact O-N 3.46Š|
| 521 | R | 36.8 | Very low | 38.5 | Very low | 198 Ų | 198 | 159.6 Ų | 159.6 | 75% | 0.747 | 81% | 0.812 | S | S | * | * | | | trans | -107 | 122.6 | 171 | -176.1 | 176.9 | 175.5 | 112.4 | 8.8 | 109.3 | D523 | R521-D523 WeakPolarHBondContact CD-OD2 3.41Å; R521-D523 IonicContact CZ-OD1 2.65Å; R521-D523 IonicContact CZ-OD2 3.97Å; R521-D523 VanDerWaalsContact NE-CG 3.25Å; R521-D523 IonicContact NE-OD1 2.69Å; R521-D523 PolarHBondContact NE-OD1 3.38Å; R521-D523 IonicContact NE-OD2 3.21Å; R521-D523 PolarHBondContact NE-OD2 2.66Å; R521-D523 IonicContact NH2-OD1 3.89Å; R521-D523 PolarHBondContact NH2-OD1 2.69Å |
| 522 | M | 37.5 | Very low | 38.8 | Very low | 167 Ų | 167 | 159.9 Ų | 159.9 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | | | trans | -97.9 | 128.8 | 158.6 | -76.9 | -160.4 | 72.5 | 0 | 0 | 108.5 | | |
| 523 | D | 43.4 | Very low | 39.3 | Very low | 95 Ų | 95 | 157.8 Ų | 157.8 | 51% | 0.508 | 82% | 0.817 | S | S | . | * | | | trans | -101.9 | 110.6 | 165.6 | -72.6 | -72.2 | 0 | 0 | 0 | 108.1 | R521 | R521-D523 WeakPolarHBondContact CD-OD2 3.41Å; R521-D523 IonicContact CZ-OD1 2.65Å; R521-D523 IonicContact CZ-OD2 3.97Å; R521-D523 VanDerWaalsContact NE-CG 3.25Å; R521-D523 IonicContact NE-OD1 2.69Å; R521-D523 PolarHBondContact NE-OD1 3.38Å; R521-D523 IonicContact NE-OD2 3.21Å; R521-D523 PolarHBondContact NE-OD2 2.66Å; R521-D523 IonicContact NH2-OD1 3.89Å; R521-D523 PolarHBondContact NH2-OD1 2.69Å |
| 524 | S | 37.4 | Very low | 39.9 | Very low | 103 Ų | 103 | 159.2 Ų | 159.2 | 72% | 0.72 | 83% | 0.829 | S | S | * | * | | | trans | -93.5 | 124.9 | 177.3 | -172.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 525 | W | 47.2 | Very low | 40.4 | Very low | 238 Ų | 238 | 163.3 Ų | 163.3 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | -113.8 | 113.8 | 173.3 | -77.9 | 90.6 | 0 | 0 | 0 | 109.6 | | |
| 526 | V | 42.6 | Very low | 40.4 | Very low | 124 Ų | 124 | 166.8 Ų | 166.8 | 75% | 0.752 | 84% | 0.839 | S | S | * | * | | | trans | -125.6 | 111.9 | 169.5 | 171.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 527 | T | 46.9 | Very low | 41 | Very low | 211 Ų | 211 | 170.7 Ų | 170.7 | 100% | 1.294 | 84% | 0.837 | S | S | * | * | | | trans | -164.8 | 0 | 142.1 | -65.6 | 0 | 0 | 0 | 0 | 106 | | |