| 1 | M | 75.4 | Confident | 93.9 | Very high | 242 Ų | 242 | 151.5 Ų | 151.5 | 100% | 1.192 | 72% | 0.719 | S | S | * | * | | | | 0 | 162.1 | 0 | -168.2 | 49.5 | 80.7 | 0 | 0 | 109.7 | | |
| 2 | G | 87.3 | Confident | 94.3 | Very high | 53 Ų | 53 | 151.4 Ų | 151.4 | 55% | 0.546 | 72% | 0.721 | S | S | . | * | | | trans | -77.7 | 159.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K4 | G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.4Å |
| 3 | R | 95.2 | Very high | 94.6 | Very high | 261 Ų | 261 | 145.8 Ų | 145.8 | 99% | 0.985 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -63.5 | -27.2 | -179.2 | -71.5 | -174.4 | 179.6 | 177 | -1.9 | 114.2 | | |
| 4 | K | 96.2 | Very high | 94.8 | Very high | 184 Ų | 184 | 142.4 Ų | 142.4 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -145.8 | 150.1 | 174.7 | -65.3 | -170.6 | 177.1 | -173.7 | 0 | 109.1 | G2 | G2-K4 VanDerWaalsContact C-N 3.27Å; G2-K4 PolarHBondContact O-N 3.4Å |
| 5 | K | 95.7 | Very high | 95.1 | Very high | 206 Ų | 206 | 146.2 Ų | 146.2 | 90% | 0.896 | 69% | 0.685 | S | S | * | * | | | trans | -67.7 | 144 | 165.7 | -171.8 | 176 | -179.4 | -179.8 | 0 | 108.5 | | |
| 6 | I | 96.1 | Very high | 95.3 | Very high | 92 Ų | 92 | 143.2 Ų | 143.2 | 47% | 0.472 | 68% | 0.675 | S | S | . | * | | | trans | -124.7 | 152.6 | 173.2 | 70.3 | 171.4 | 0 | 0 | 0 | 109.7 | | |
| 7 | Q | 96.8 | Very high | 95.4 | Very high | 157 Ų | 157 | 137.6 Ų | 137.6 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | | | trans | -71.7 | 155.3 | 167.9 | -66.6 | 178.1 | -9 | 0 | 0 | 110.2 | T9 | Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 HydrophobicContact CB-CG2 4.28Å; Q7-T9 PolarHBondContact O-N 3.47Å |
| 8 | I | 96.8 | Very high | 95.6 | Very high | 149 Ų | 149 | 135 Ų | 135 | 76% | 0.764 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -90.8 | 73.1 | 175.8 | -52.6 | -56.7 | 0 | 0 | 0 | 108.6 | | |
| 9 | T | 97.7 | Very high | 95.7 | Very high | 97 Ų | 97 | 132.1 Ų | 132.1 | 60% | 0.595 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -131.8 | 170 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | Q7 I11 | Q7-T9 VanDerWaalsContact C-N 3.31Å; Q7-T9 HydrophobicContact CB-CG2 4.28Å; Q7-T9 PolarHBondContact O-N 3.47Å; T9-I11 PolarHBondContact O-N 3.21Å |
| 10 | R | 98 | Very high | 95.9 | Very high | 173 Ų | 173 | 127.4 Ų | 127.4 | 65% | 0.653 | 61% | 0.606 | S | S | * | * | | | trans | -64.9 | 117.1 | 178.4 | -176.9 | 174.6 | -178.2 | 152.3 | -0.2 | 110.1 | M12 | R10-M12 HydrophobicContact CG-SD 4.29Å; R10-M12 PolarHBondContact O-N 3.42Å |
| 11 | I | 98.2 | Very high | 96 | Very high | 53 Ų | 53 | 123.6 Ų | 123.6 | 27% | 0.272 | 59% | 0.587 | S | S | . | * | | | trans | -63.9 | 116.8 | 169.9 | -61.4 | 168.2 | 0 | 0 | 0 | 107.8 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 3.21Å; I11-N16 HydrophobicContact CG2-CB 4.06Å; I11-R17 HydrophobicContact CB-CB 4.2Å; I11-R17 HydrophobicContact CG2-CB 4.04Å; I11-R17 PolarHBondContact O-NH1 3.34Å; I11-T20 HydrophobicContact CD1-CG2 3.73Å |
| 12 | M | 98.2 | Very high | 97.1 | Very high | 150 Ų | 150 | 115.6 Ų | 115.6 | 74% | 0.739 | 55% | 0.552 | S | S | * | * | | | trans | -78.5 | -42.5 | -172.1 | -64.5 | -57.7 | -72.5 | 0 | 0 | 113.2 | R10 E14 R17 | R10-M12 HydrophobicContact CG-SD 4.29Å; R10-M12 PolarHBondContact O-N 3.42Å; M12-E14 PolarHBondContact O-N 3.24Å; M12-R17 PolarHBondContact O-NH1 3.41Å |
| 13 | D | 98 | Very high | 97.6 | Very high | 79 Ų | 79 | 120.6 Ų | 120.6 | 42% | 0.422 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -65.1 | 127.2 | 173 | 164.9 | 44.5 | 0 | 0 | 0 | 111.5 | R15 N16 R17 | D13-R15 PolarHBondContact O-N 2.95Å; D13-R15 PolarHBondContact OD1-N 3.25Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.29Å; D13-N16 PolarHBondContact OD2-N 3.41Å; D13-N16 PolarHBondContact OD2-ND2 3.34Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.49Å |
| 14 | E | 98.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 114.8 Ų | 114.8 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -37.8 | 179.9 | -170.7 | 65.1 | -83.7 | 0 | 0 | 112.6 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 3.24Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 IonicContact OE1-CZ 3.55Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 3.63Å; E14-R17 PolarHBondContact OE1-NE 3.39Å; E14-R17 IonicContact OE1-NH2 2.69Å; E14-R17 PolarHBondContact OE1-NH2 3.1Å; E14-R17 IonicContact OE2-CZ 3.93Å; E14-R17 IonicContact OE2-NE 3.22Å; E14-R17 IonicContact OE2-NH2 3.31Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; E14-Q18 WeakPolarHBondContact O-CB 3.4Å; E14-Q18 PolarHBondContact O-N 3.21Å |
| 15 | R | 98.3 | Very high | 97.9 | Very high | 200 Ų | 200 | 108.1 Ų | 108.1 | 76% | 0.755 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -49.2 | -176.3 | -173.2 | 179.3 | -69.1 | -179.5 | -0.6 | 110.7 | D13 R17 V19 | D13-R15 PolarHBondContact O-N 2.95Å; D13-R15 PolarHBondContact OD1-N 3.25Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 2.94Å; R15-V19 VanDerWaalsContact O-N 3.09Å |
| 16 | N | 98 | Very high | 98 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.3 | -34 | 174.4 | -75.9 | -63.9 | 0 | 0 | 0 | 112.2 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.06Å; D13-N16 VanDerWaalsContact OD2-CB 3.23Å; D13-N16 WeakPolarHBondContact OD2-CB 3.43Å; D13-N16 VanDerWaalsContact OD2-CG 3.29Å; D13-N16 PolarHBondContact OD2-N 3.41Å; D13-N16 PolarHBondContact OD2-ND2 3.34Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 2.69Å |
| 17 | R | 98.5 | Very high | 98.1 | Very high | 49 Ų | 49 | 102.5 Ų | 102.5 | 19% | 0.185 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -61.5 | -51.3 | 174.5 | 174.2 | 165.9 | 59.5 | -125.1 | 8.8 | 111.3 | I11 M12 D13 E14 R15 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.2Å; I11-R17 HydrophobicContact CG2-CB 4.04Å; I11-R17 PolarHBondContact O-NH1 3.34Å; M12-R17 PolarHBondContact O-NH1 3.41Å; D13-R17 WeakPolarHBondContact O-CB 3.47Å; D13-R17 PolarHBondContact O-N 3.49Å; E14-R17 PolarHBondContact O-N 2.81Å; E14-R17 IonicContact OE1-CZ 3.55Å; E14-R17 VanDerWaalsContact OE1-CZ 3.31Å; E14-R17 IonicContact OE1-NE 3.63Å; E14-R17 PolarHBondContact OE1-NE 3.39Å; E14-R17 IonicContact OE1-NH2 2.69Å; E14-R17 PolarHBondContact OE1-NH2 3.1Å; E14-R17 IonicContact OE2-CZ 3.93Å; E14-R17 IonicContact OE2-NE 3.22Å; E14-R17 IonicContact OE2-NH2 3.31Å; E14-R17 PolarHBondContact OE2-NH2 3.38Å; R15-R17 VanDerWaalsContact C-N 3.35Å; R17-T20 PolarHBondContact O-N 3.18Å; R17-F21 WeakPolarHBondContact O-CB 3.43Å; R17-F21 PolarHBondContact O-N 3Å |
| 18 | Q | 98.3 | Very high | 98.2 | Very high | 90 Ų | 90 | 99.3 Ų | 99.3 | 42% | 0.421 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | -179.7 | -179.4 | 59.1 | 13.7 | 0 | 0 | 112.7 | E14 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.4Å; E14-Q18 PolarHBondContact O-N 3.21Å; Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 2.86Å; Q18-F21 PolarHBondContact O-N 3.38Å; Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 2.68Å |
| 19 | V | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 93.4 Ų | 93.4 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 175 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | R15 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.48Å; R15-V19 PolarHBondContact O-N 2.94Å; R15-V19 VanDerWaalsContact O-N 3.09Å; V19-K23 HydrophobicContact CG1-CD 4.25Å; V19-K23 WeakPolarHBondContact O-CG 3.3Å; V19-K23 PolarHBondContact O-N 3.05Å |
| 20 | T | 98 | Very high | 98.3 | Very high | 38 Ų | 38 | 94.2 Ų | 94.2 | 23% | 0.233 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 176.7 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.73Å; N16-T20 WeakPolarHBondContact O-CB 3.21Å; N16-T20 PolarHBondContact O-N 3.45Å; N16-T20 PolarHBondContact O-OG1 2.69Å; R17-T20 PolarHBondContact O-N 3.18Å; Q18-T20 VanDerWaalsContact C-N 3.34Å; Q18-T20 PolarHBondContact O-N 2.86Å; T20-K23 PolarHBondContact O-N 3.22Å; T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.17Å |
| 21 | F | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 92.3 Ų | 92.3 | 21% | 0.211 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -58.2 | -54.8 | 176.3 | 176.4 | -101.1 | 0 | 0 | 0 | 110.8 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 WeakPolarHBondContact O-CB 3.43Å; R17-F21 PolarHBondContact O-N 3Å; Q18-F21 PolarHBondContact O-N 3.38Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3Å; F21-R24 PolarHBondContact O-N 3.34Å; F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 3.21Å; F21-I47 HydrophobicContact CE2-CG2 3.87Å; F21-I47 HydrophobicContact CZ-CG2 4.1Å; F21-N49 HydrophobicContact CE1-CB 4.3Å; F21-N49 HydrophobicContact CE2-CB 4.15Å; F21-N49 HydrophobicContact CZ-CB 3.83Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.66Å; F21-F55 HydrophobicContact CE1-CE2 3.66Å; F21-F55 AromaticContact CE1-CZ 3.93Å; F21-F55 HydrophobicContact CE1-CZ 3.93Å; F21-F55 AromaticContact CZ-CD2 3.73Å; F21-F55 HydrophobicContact CZ-CD2 3.73Å; F21-F55 AromaticContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CG 4.45Å; F21-F55 HydrophobicContact CZ-CZ 4.44Å |
| 22 | T | 98.1 | Very high | 98.4 | Very high | 74 Ų | 74 | 90.3 Ų | 90.3 | 45% | 0.454 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -54.8 | -47.4 | 178.5 | -62.5 | 0 | 0 | 0 | 0 | 112.1 | Q18 F26 | Q18-T22 PolarHBondContact O-N 3.28Å; Q18-T22 PolarHBondContact O-OG1 2.68Å; T22-F26 PolarHBondContact O-N 3.28Å |
| 23 | K | 98 | Very high | 98.4 | Very high | 157 Ų | 157 | 89.7 Ų | 89.7 | 68% | 0.683 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -70.3 | -41 | -178.1 | -67.6 | -177 | 69.9 | 164.8 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 4.25Å; V19-K23 WeakPolarHBondContact O-CG 3.3Å; V19-K23 PolarHBondContact O-N 3.05Å; T20-K23 PolarHBondContact O-N 3.22Å; F21-K23 VanDerWaalsContact C-N 3.33Å; F21-K23 PolarHBondContact O-N 3Å; K23-G27 PolarHBondContact O-N 3.47Å |
| 24 | R | 98.5 | Very high | 98.5 | Very high | 140 Ų | 140 | 88.5 Ų | 88.5 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 177.8 | -73.6 | -169.7 | 175.2 | -154.5 | -4.3 | 112.2 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 3.99Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.41Å; T20-R24 WeakPolarHBondContact O-CG 3.44Å; T20-R24 PolarHBondContact O-N 3.17Å; F21-R24 PolarHBondContact O-N 3.34Å; R24-F26 PolarHBondContact O-N 3.06Å; R24-G27 PolarHBondContact O-N 2.82Å; R24-L28 WeakPolarHBondContact O-CB 3.26Å; R24-L28 PolarHBondContact O-N 2.92Å |
| 25 | K | 98.6 | Very high | 98.5 | Very high | 44 Ų | 44 | 88.3 Ų | 88.3 | 19% | 0.191 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -58.1 | -48.5 | 174.8 | -170.6 | -173 | 76.6 | 70.2 | 0 | 111.1 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 4.04Å; F21-K25 HydrophobicContact CZ-CD 3.96Å; F21-K25 WeakPolarHBondContact O-CB 3.25Å; F21-K25 PolarHBondContact O-N 3.21Å; K25-L28 PolarHBondContact O-N 2.68Å; K25-M29 HydrophobicContact CD-CE 4.19Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.98Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.08Å; K25-M29 WeakPolarHBondContact O-CB 3.15Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 3.18Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.8Å; K25-F55 HydrophobicContact CD-CD1 3.93Å; K25-F55 HydrophobicContact CD-CD2 4.45Å; K25-F55 HydrophobicContact CD-CG 3.81Å |
| 26 | F | 98.4 | Very high | 98.5 | Very high | 145 Ų | 145 | 79.4 Ų | 79.4 | 64% | 0.636 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 175.9 | -175.5 | -95.5 | 0 | 0 | 0 | 112.2 | T22 R24 L28 M29 K30 | T22-F26 PolarHBondContact O-N 3.28Å; R24-F26 PolarHBondContact O-N 3.06Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.09Å; F26-M29 PolarHBondContact O-N 2.9Å; F26-K30 PolarHBondContact O-N 2.98Å |
| 27 | G | 98.6 | Very high | 98.5 | Very high | 35 Ų | 35 | 79.2 Ų | 79.2 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.1 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | K23 R24 K30 K31 | K23-G27 PolarHBondContact O-N 3.47Å; R24-G27 PolarHBondContact O-N 2.82Å; G27-K30 PolarHBondContact O-N 2.94Å; G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 2.86Å; G27-K31 VanDerWaalsContact O-N 3.09Å |
| 28 | L | 98.7 | Very high | 98.5 | Very high | 89 Ų | 89 | 83.7 Ų | 83.7 | 47% | 0.466 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | 176.7 | -177.8 | 61.2 | 0 | 0 | 0 | 111.7 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.26Å; R24-L28 PolarHBondContact O-N 2.92Å; K25-L28 PolarHBondContact O-N 2.68Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.09Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 2.93Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 3.36Å; L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å |
| 29 | M | 98.6 | Very high | 98.5 | Very high | 26 Ų | 26 | 83 Ų | 83 | 13% | 0.128 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -60.4 | -40 | 174.7 | -71.8 | 167.7 | 163.8 | 0 | 0 | 111.8 | K25 F26 K31 A32 Y33 L45 Q56 Y57 | K25-M29 HydrophobicContact CD-CE 4.19Å; K25-M29 HydrophobicContact CD-SD 4.46Å; K25-M29 HydrophobicContact CG-CE 3.98Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.08Å; K25-M29 WeakPolarHBondContact O-CB 3.15Å; K25-M29 VanDerWaalsContact O-CG 3.29Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 3.18Å; F26-M29 PolarHBondContact O-N 2.9Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.93Å; M29-A32 PolarHBondContact O-N 2.96Å; M29-Y33 PolarHBondContact O-N 2.59Å; M29-L45 HydrophobicContact CG-CD2 4.18Å; M29-Q56 WeakPolarHBondContact CE-O 3.48Å; M29-Y57 HydrophobicContact CG-CG 4.4Å |
| 30 | K | 98.7 | Very high | 98.6 | Very high | 113 Ų | 113 | 86.9 Ų | 86.9 | 49% | 0.491 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.2 | -170.4 | 175.7 | -169.9 | -77.4 | 0 | 112.1 | F26 G27 L28 Y33 E34 | F26-K30 PolarHBondContact O-N 2.98Å; G27-K30 PolarHBondContact O-N 2.94Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 2.93Å; K30-Y33 PolarHBondContact O-N 2.77Å; K30-E34 IonicContact NZ-OE1 2.79Å; K30-E34 PolarHBondContact NZ-OE1 3.37Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.09Å |
| 31 | K | 98.8 | Very high | 98.5 | Very high | 133 Ų | 133 | 87.6 Ų | 87.6 | 58% | 0.578 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.3 | -35.9 | 176.6 | -69.4 | -142.3 | 139.8 | -63.6 | 0 | 113.5 | G27 L28 M29 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 2.86Å; G27-K31 VanDerWaalsContact O-N 3.09Å; L28-K31 PolarHBondContact O-N 2.81Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 2.93Å; K31-E34 IonicContact NZ-OE2 3.19Å; K31-E34 PolarHBondContact NZ-OE2 3.22Å; K31-E34 PolarHBondContact O-N 2.71Å; K31-L35 WeakPolarHBondContact O-CB 3.47Å; K31-L35 PolarHBondContact O-N 3.48Å |
| 32 | A | 98.8 | Very high | 98.5 | Very high | 12 Ų | 12 | 88.4 Ų | 88.4 | 10% | 0.099 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.36Å; M29-A32 PolarHBondContact O-N 2.96Å; A32-L35 PolarHBondContact O-N 3.16Å; A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.26Å; A32-I43 HydrophobicContact CB-CG2 4.22Å; A32-Y57 HydrophobicContact CB-CD1 3.83Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å |
| 33 | Y | 98.7 | Very high | 98.5 | Very high | 136 Ų | 136 | 86.5 Ų | 86.5 | 53% | 0.533 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58 | -49 | 173 | 169.3 | -95.3 | 0 | 0 | 0 | 113 | M29 K30 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 2.59Å; K30-Y33 PolarHBondContact O-N 2.77Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.13Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 2.72Å; Y33-S36 PolarHBondContact O-OG 3.01Å; Y33-V37 HydrophobicContact CD2-CG2 4.18Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.48Å; Y33-V37 VanDerWaalsContact O-N 3.11Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.34Å |
| 34 | E | 98.8 | Very high | 98.6 | Very high | 55 Ų | 55 | 80.9 Ų | 80.9 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -54 | -46.3 | 175.4 | -76.4 | 164.6 | -179.5 | 0 | 0 | 111.1 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 2.79Å; K30-E34 PolarHBondContact NZ-OE1 3.37Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.24Å; K30-E34 WeakPolarHBondContact O-CG 3.43Å; K30-E34 PolarHBondContact O-N 3.09Å; K31-E34 IonicContact NZ-OE2 3.19Å; K31-E34 PolarHBondContact NZ-OE2 3.22Å; K31-E34 PolarHBondContact O-N 2.71Å; E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.08Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.35Å |
| 35 | L | 98.8 | Very high | 98.6 | Very high | 93 Ų | 93 | 76 Ų | 76 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.8 | -44.1 | -179.7 | -176.3 | 61.2 | 0 | 0 | 0 | 112.7 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.47Å; K31-L35 PolarHBondContact O-N 3.48Å; A32-L35 PolarHBondContact O-N 3.16Å; Y33-L35 VanDerWaalsContact C-N 3.29Å; Y33-L35 PolarHBondContact O-N 3.13Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.45Å; L35-L38 PolarHBondContact O-N 3.28Å; L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 2.91Å; L35-C39 VanDerWaalsContact O-N 3.08Å; L35-I43 HydrophobicContact CB-CD1 4.01Å; L35-I43 HydrophobicContact CD2-CD1 3.94Å; L35-I43 HydrophobicContact CG-CD1 3.96Å |
| 36 | S | 98.5 | Very high | 98.6 | Very high | 12 Ų | 12 | 77.9 Ų | 77.9 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.3 | -37.2 | 179.2 | 52.1 | 0 | 0 | 0 | 0 | 112.8 | A32 Y33 D40 C41 S59 | A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.26Å; Y33-S36 WeakPolarHBondContact CA-OG 3.29Å; Y33-S36 PolarHBondContact O-N 2.72Å; Y33-S36 PolarHBondContact O-OG 3.01Å; S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.35Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.33Å; S36-C41 WeakPolarHBondContact CB-O 3.27Å; S36-C41 PolarHBondContact O-N 2.91Å; S36-C41 VanDerWaalsContact O-N 3.09Å; S36-S59 WeakPolarHBondContact OG-CB 3.4Å |
| 37 | V | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 72.3 Ų | 72.3 | 58% | 0.576 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -80.6 | -35.6 | -179.2 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.18Å; Y33-V37 HydrophobicContact CE2-CG2 3.79Å; Y33-V37 WeakPolarHBondContact O-CG2 3.19Å; Y33-V37 PolarHBondContact O-N 3.48Å; Y33-V37 VanDerWaalsContact O-N 3.11Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.45Å |
| 38 | L | 98.8 | Very high | 98.6 | Very high | 143 Ų | 143 | 76.9 Ų | 76.9 | 75% | 0.749 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -78.1 | -22.3 | -178.9 | -71.5 | 171 | 0 | 0 | 0 | 113.9 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.29Å; E34-L38 WeakPolarHBondContact O-CB 3.47Å; E34-L38 WeakPolarHBondContact O-CD1 3.08Å; E34-L38 WeakPolarHBondContact O-CG 3.45Å; E34-L38 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.28Å |
| 39 | C | 98.5 | Very high | 98.5 | Very high | 75 Ų | 75 | 73.7 Ų | 73.7 | 51% | 0.507 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 12.8 | -173.2 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.39Å; L35-C39 PolarHBondContact O-N 2.91Å; L35-C39 VanDerWaalsContact O-N 3.08Å; C39-C41 PolarHBondContact O-N 3.17Å; C39-C41 PolarHBondContact O-SG 3.11Å |
| 40 | D | 98.5 | Very high | 98.4 | Very high | 161 Ų | 161 | 76.2 Ų | 76.2 | 86% | 0.861 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 51.7 | -177.7 | -160.1 | 23.3 | 0 | 0 | 0 | 113.4 | S36 | S36-D40 WeakPolarHBondContact O-CA 3.45Å; S36-D40 PolarHBondContact O-N 3.35Å; S36-D40 VanDerWaalsContact O-N 3.16Å |
| 41 | C | 97.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 75.3 Ų | 75.3 | 37% | 0.365 | 40% | 0.404 | S | S | . | . | | | trans | -112.4 | 129.6 | -169.8 | -75.9 | 0 | 0 | 0 | 0 | 112.9 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.33Å; S36-C41 WeakPolarHBondContact CB-O 3.27Å; S36-C41 PolarHBondContact O-N 2.91Å; S36-C41 VanDerWaalsContact O-N 3.09Å; C39-C41 PolarHBondContact O-N 3.17Å; C39-C41 PolarHBondContact O-SG 3.11Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.21Å; C41-S59 PolarHBondContact O-OG 2.82Å; C41-S59 VanDerWaalsContact O-OG 3.08Å |
| 42 | E | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | | | trans | -75.3 | 121.2 | 166.3 | -67 | -171.5 | 123.4 | 0 | 0 | 110.1 | S59 T60 K64 V65 K68 | E42-S59 WeakPolarHBondContact CA-OG 3.27Å; E42-T60 HydrophobicContact CG-CG2 4.47Å; E42-K64 WeakPolarHBondContact OE1-CE 3.46Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.38Å; E42-V65 HydrophobicContact CB-CG2 4.26Å; E42-K68 IonicContact OE2-NZ 2.68Å; E42-K68 PolarHBondContact OE2-NZ 3.48Å |
| 43 | I | 98.5 | Very high | 98.3 | Very high | 34 Ų | 34 | 81.2 Ų | 81.2 | 17% | 0.174 | 43% | 0.434 | C | S | . | . | | | trans | -132.7 | 126.7 | -175.1 | -60.3 | 176.2 | 0 | 0 | 0 | 108.5 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.22Å; L35-I43 HydrophobicContact CB-CD1 4.01Å; L35-I43 HydrophobicContact CD2-CD1 3.94Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.35Å; C41-I43 HydrophobicContact CB-CG1 4.21Å; I43-A58 CarbonylContact O-C 3.6Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; I43-S59 PolarHBondContact N-OG 2.74Å; I43-S59 PolarHBondContact O-N 3.39Å |
| 44 | A | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 78.8 Ų | 78.8 | 32% | 0.322 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 144.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.4 | M62 V65 | A44-M62 HydrophobicContact CB-SD 3.96Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.63Å |
| 45 | L | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 79.2 Ų | 79.2 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 115.8 | 180 | 173.7 | 62 | 0 | 0 | 0 | 109.7 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.98Å; L28-L45 HydrophobicContact CG-CD2 3.87Å; M29-L45 HydrophobicContact CG-CD2 4.18Å; L45-I47 HydrophobicContact CD1-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CG1 4.08Å; L45-I47 HydrophobicContact CD2-CD1 4.15Å; L45-I47 HydrophobicContact CG-CD1 4.12Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.29Å; L45-Q56 WeakPolarHBondContact O-CA 3.29Å; L45-Y57 HydrophobicContact CB-CD1 4.26Å; L45-Y57 PolarHBondContact N-O 2.99Å; L45-Y57 PolarHBondContact O-N 3.26Å |
| 46 | I | 98.7 | Very high | 98.3 | Very high | 84 Ų | 84 | 79.7 Ų | 79.7 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 130.4 | 179 | -66.2 | 173.4 | 0 | 0 | 0 | 109 | F48 L54 L66 | I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.37Å; I46-L54 HydrophobicContact CG2-CD1 3.82Å; I46-L66 HydrophobicContact CD1-CD2 4.26Å |
| 47 | I | 98.7 | Very high | 98.3 | Very high | 29 Ų | 29 | 81.2 Ų | 81.2 | 15% | 0.149 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 112.6 | -179 | -57.6 | 171.8 | 0 | 0 | 0 | 109.3 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.87Å; F21-I47 HydrophobicContact CZ-CG2 4.1Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CG1 4.08Å; L45-I47 HydrophobicContact CD2-CD1 4.15Å; L45-I47 HydrophobicContact CG-CD1 4.12Å; L45-I47 HydrophobicContact CG-CG1 4.17Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.37Å; I47-F55 PolarHBondContact O-N 3.26Å |
| 48 | F | 98.7 | Very high | 98.3 | Very high | 131 Ų | 131 | 77.8 Ų | 77.8 | 58% | 0.575 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 134.9 | 164.2 | -66.2 | -83.3 | 0 | 0 | 0 | 109.9 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.08Å; I46-F48 HydrophobicContact CG2-CE2 3.63Å; I46-F48 HydrophobicContact CG2-CZ 4.37Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.02Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å |
| 49 | N | 97.4 | Very high | 98.3 | Very high | 22 Ų | 22 | 72.8 Ų | 72.8 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | | | trans | -87.1 | 176.6 | 171.7 | 87.2 | -23.1 | 0 | 0 | 0 | 111.7 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.3Å; F21-N49 HydrophobicContact CE2-CB 4.15Å; F21-N49 HydrophobicContact CZ-CB 3.83Å; N49-T51 PolarHBondContact ND2-OG1 2.91Å; N49-T51 PolarHBondContact O-N 3.34Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.36Å; N49-T51 WeakPolarHBondContact OD1-CB 3.5Å; N49-T51 PolarHBondContact OD1-N 3.36Å; N49-N52 PolarHBondContact O-N 3.08Å; N49-N52 PolarHBondContact OD1-N 2.89Å; N49-K53 PolarHBondContact N-O 3.06Å; N49-K53 VanDerWaalsContact N-O 3.09Å; N49-K53 WeakPolarHBondContact OD1-CB 3.44Å; N49-K53 PolarHBondContact OD1-N 2.98Å; N49-F55 HydrophobicContact CB-CE2 4.12Å |
| 50 | S | 96.7 | Very high | 98.2 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 9.4 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 115.5 | | |
| 51 | T | 97.3 | Very high | 98.2 | Very high | 95 Ų | 95 | 70 Ų | 70 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 18.4 | 172.1 | -31.2 | 0 | 0 | 0 | 0 | 110.3 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 2.91Å; N49-T51 PolarHBondContact O-N 3.34Å; N49-T51 VanDerWaalsContact OD1-C 3.3Å; N49-T51 WeakPolarHBondContact OD1-CA 3.36Å; N49-T51 WeakPolarHBondContact OD1-CB 3.5Å; N49-T51 PolarHBondContact OD1-N 3.36Å; T51-K53 PolarHBondContact O-N 3.25Å |
| 52 | N | 97.9 | Very high | 98.2 | Very high | 139 Ų | 139 | 68.3 Ų | 68.3 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | | | trans | 54.2 | 21.7 | -176.5 | -57.3 | -15.2 | 0 | 0 | 0 | 114.7 | N49 L54 | N49-N52 PolarHBondContact O-N 3.08Å; N49-N52 PolarHBondContact OD1-N 2.89Å; N52-L54 PolarHBondContact O-N 3.41Å |
| 53 | K | 98.4 | Very high | 98.2 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | | | trans | -77.8 | 122.7 | 173.1 | -62.8 | -169.7 | 177.2 | -170.5 | 0 | 109.5 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 3.06Å; N49-K53 VanDerWaalsContact N-O 3.09Å; N49-K53 WeakPolarHBondContact OD1-CB 3.44Å; N49-K53 PolarHBondContact OD1-N 2.98Å; T51-K53 PolarHBondContact O-N 3.25Å; K53-F55 HydrophobicContact CB-CE2 3.99Å; K53-F55 HydrophobicContact CB-CZ 4.47Å; K53-F55 WeakPolarHBondContact O-CD2 3.34Å |
| 54 | L | 98.6 | Very high | 98.2 | Very high | 85 Ų | 85 | 74.7 Ų | 74.7 | 45% | 0.445 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 135.4 | 174.3 | 176.8 | 59.6 | 0 | 0 | 0 | 111 | I46 F48 N52 | I46-L54 HydrophobicContact CG2-CD1 3.82Å; F48-L54 HydrophobicContact CD1-CB 4.26Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.02Å; F48-L54 HydrophobicContact CE1-CG 4.45Å; F48-L54 HydrophobicContact CE2-CD1 4.34Å; F48-L54 HydrophobicContact CZ-CD1 3.93Å; N52-L54 PolarHBondContact O-N 3.41Å |
| 55 | F | 98.6 | Very high | 98.1 | Very high | 64 Ų | 64 | 73.8 Ų | 73.8 | 28% | 0.281 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 130.9 | 162.7 | -57.7 | -95.9 | 0 | 0 | 0 | 107.6 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.66Å; F21-F55 HydrophobicContact CE1-CE2 3.66Å; F21-F55 AromaticContact CE1-CZ 3.93Å; F21-F55 HydrophobicContact CE1-CZ 3.93Å; F21-F55 AromaticContact CZ-CD2 3.73Å; F21-F55 HydrophobicContact CZ-CD2 3.73Å; F21-F55 AromaticContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CE2 3.74Å; F21-F55 HydrophobicContact CZ-CG 4.45Å; F21-F55 HydrophobicContact CZ-CZ 4.44Å; K25-F55 HydrophobicContact CD-CB 3.8Å; K25-F55 HydrophobicContact CD-CD1 3.93Å; K25-F55 HydrophobicContact CD-CD2 4.45Å; K25-F55 HydrophobicContact CD-CG 3.81Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.37Å; I47-F55 PolarHBondContact O-N 3.26Å; N49-F55 HydrophobicContact CB-CE2 4.12Å; K53-F55 HydrophobicContact CB-CE2 3.99Å; K53-F55 HydrophobicContact CB-CZ 4.47Å; K53-F55 WeakPolarHBondContact O-CD2 3.34Å |
| 56 | Q | 98.5 | Very high | 98.1 | Very high | 103 Ų | 103 | 75.2 Ų | 75.2 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 160.8 | -176.2 | 79.9 | -165.2 | 53.3 | 0 | 0 | 112.5 | M29 L45 M62 | M29-Q56 WeakPolarHBondContact CE-O 3.48Å; L45-Q56 CarbonylContact O-C 3.52Å; L45-Q56 VanDerWaalsContact O-CA 3.29Å; L45-Q56 WeakPolarHBondContact O-CA 3.29Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.84Å |
| 57 | Y | 98.8 | Very high | 98.1 | Very high | 44 Ų | 44 | 76.1 Ų | 76.1 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 141.4 | 169.2 | 163.4 | -91.5 | 0 | 0 | 0 | 108.5 | M29 A32 Y33 L45 S59 M62 | M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.83Å; A32-Y57 HydrophobicContact CB-CE1 3.49Å; A32-Y57 VanDerWaalsContact CB-CE1 3.49Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.34Å; L45-Y57 HydrophobicContact CB-CD1 4.26Å; L45-Y57 PolarHBondContact N-O 2.99Å; L45-Y57 PolarHBondContact O-N 3.26Å; Y57-S59 WeakPolarHBondContact OH-CA 3.42Å; Y57-M62 VanDerWaalsContact O-CE 3.25Å; Y57-M62 WeakPolarHBondContact O-CE 3.38Å |
| 58 | A | 98.7 | Very high | 98 | Very high | 22 Ų | 22 | 78.6 Ų | 78.6 | 18% | 0.182 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | I43 T60 M62 | I43-A58 CarbonylContact O-C 3.6Å; I43-A58 WeakPolarHBondContact O-CA 3.39Å; A58-T60 WeakPolarHBondContact CB-O 3.42Å; A58-M62 HydrophobicContact CB-CB 4.42Å; A58-M62 HydrophobicContact CB-CE 3.92Å |
| 59 | S | 98.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 80.1 Ų | 80.1 | 27% | 0.273 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -78 | -24.2 | 171.2 | 56.5 | 0 | 0 | 0 | 0 | 112.8 | S36 C41 E42 I43 Y57 | S36-S59 WeakPolarHBondContact OG-CB 3.4Å; C41-S59 PolarHBondContact O-OG 2.82Å; C41-S59 VanDerWaalsContact O-OG 3.08Å; E42-S59 WeakPolarHBondContact CA-OG 3.27Å; I43-S59 PolarHBondContact N-OG 2.74Å; I43-S59 PolarHBondContact O-N 3.39Å; Y57-S59 WeakPolarHBondContact OH-CA 3.42Å |
| 60 | T | 97.1 | Very high | 97.9 | Very high | 62 Ų | 62 | 84 Ų | 84 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -124.9 | -149 | 169.8 | 55.9 | 0 | 0 | 0 | 0 | 108.8 | E42 A58 V65 | E42-T60 HydrophobicContact CG-CG2 4.47Å; A58-T60 WeakPolarHBondContact CB-O 3.42Å; T60-V65 WeakPolarHBondContact OG1-CG2 3.36Å |
| 61 | D | 97.7 | Very high | 97.9 | Very high | 115 Ų | 115 | 86.4 Ų | 86.4 | 62% | 0.615 | 44% | 0.437 | S | S | * | . | | | trans | -73.9 | 132.4 | 175.9 | -53.7 | -76 | 0 | 0 | 0 | 111.9 | D63 K64 V65 | D61-D63 PolarHBondContact O-N 3.17Å; D61-K64 HydrophobicContact CB-CB 4Å; D61-K64 WeakPolarHBondContact O-CB 3.24Å; D61-K64 PolarHBondContact O-N 2.97Å; D61-V65 PolarHBondContact O-N 2.91Å |
| 62 | M | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 89.2 Ų | 89.2 | 9% | 0.089 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -56.2 | -49.2 | -179.3 | -179.3 | 62.6 | 62.1 | 0 | 0 | 111.8 | A44 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-SD 3.96Å; Q56-M62 HydrophobicContact CB-CE 3.69Å; Q56-M62 HydrophobicContact CG-CE 3.84Å; Y57-M62 VanDerWaalsContact O-CE 3.25Å; Y57-M62 WeakPolarHBondContact O-CE 3.38Å; A58-M62 HydrophobicContact CB-CB 4.42Å; A58-M62 HydrophobicContact CB-CE 3.92Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.84Å; M62-V65 PolarHBondContact O-N 3.27Å; M62-V65 VanDerWaalsContact O-N 3.17Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.25Å; M62-L66 PolarHBondContact O-N 3.03Å; M62-L66 HydrophobicContact SD-CD1 3.96Å; M62-L66 HydrophobicContact SD-CG 4.07Å |
| 63 | D | 98 | Very high | 97.3 | Very high | 127 Ų | 127 | 90.9 Ų | 90.9 | 68% | 0.679 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -67.7 | -30.6 | -173.8 | -50.9 | -39.9 | 0 | 0 | 0 | 111.5 | D61 L67 | D61-D63 PolarHBondContact O-N 3.17Å; D63-L67 WeakPolarHBondContact O-CB 3.14Å; D63-L67 PolarHBondContact O-N 3.5Å |
| 64 | K | 98 | Very high | 97 | Very high | 107 Ų | 107 | 92.3 Ų | 92.3 | 47% | 0.465 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 172.7 | -172.8 | -159.3 | 178.4 | -157.9 | 0 | 111.4 | E42 D61 M62 K68 | E42-K64 WeakPolarHBondContact OE1-CE 3.46Å; E42-K64 IonicContact OE1-NZ 2.68Å; E42-K64 PolarHBondContact OE1-NZ 3.38Å; D61-K64 HydrophobicContact CB-CB 4Å; D61-K64 WeakPolarHBondContact O-CB 3.24Å; D61-K64 PolarHBondContact O-N 2.97Å; M62-K64 VanDerWaalsContact C-N 3.27Å; M62-K64 PolarHBondContact O-N 2.84Å; K64-K68 VanDerWaalsContact O-CB 3.3Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 2.9Å |
| 65 | V | 98.2 | Very high | 96.9 | Very high | 19 Ų | 19 | 91.7 Ų | 91.7 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -70.5 | -33.9 | 179.9 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | E42 A44 T60 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.26Å; A44-V65 HydrophobicContact CB-CB 4.11Å; A44-V65 HydrophobicContact CB-CG1 3.63Å; T60-V65 WeakPolarHBondContact OG1-CG2 3.36Å; D61-V65 PolarHBondContact O-N 2.91Å; M62-V65 PolarHBondContact O-N 3.27Å; M62-V65 VanDerWaalsContact O-N 3.17Å; V65-Y69 WeakPolarHBondContact O-CB 3.33Å; V65-Y69 PolarHBondContact O-N 3.43Å |
| 66 | L | 97.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 97.9 Ų | 97.9 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.9 | -39.8 | 175.2 | -67.5 | 178.4 | 0 | 0 | 0 | 112.9 | I46 M62 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.26Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.3Å; M62-L66 WeakPolarHBondContact O-CG 3.25Å; M62-L66 PolarHBondContact O-N 3.03Å; M62-L66 HydrophobicContact SD-CD1 3.96Å; M62-L66 HydrophobicContact SD-CG 4.07Å; L66-Y69 WeakPolarHBondContact O-CB 3.4Å; L66-Y69 PolarHBondContact O-N 3.46Å; L66-T70 PolarHBondContact O-N 3.07Å; L66-T70 PolarHBondContact O-OG1 3.22Å |
| 67 | L | 97.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 98.9 Ų | 98.9 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 172.6 | 178.5 | 62.5 | 0 | 0 | 0 | 110.6 | D63 Y69 T70 E71 | D63-L67 WeakPolarHBondContact O-CB 3.14Å; D63-L67 PolarHBondContact O-N 3.5Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.25Å; L67-T70 PolarHBondContact O-N 3.37Å; L67-T70 PolarHBondContact O-OG1 2.75Å; L67-E71 PolarHBondContact O-N 3.44Å |
| 68 | K | 97.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 35% | 0.348 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 173.1 | -179.4 | 170.6 | 172.4 | 174.9 | 0 | 112 | E42 K64 T70 E71 Y72 | E42-K68 IonicContact OE2-NZ 2.68Å; E42-K68 PolarHBondContact OE2-NZ 3.48Å; K64-K68 VanDerWaalsContact O-CB 3.3Å; K64-K68 WeakPolarHBondContact O-CB 3.3Å; K64-K68 PolarHBondContact O-N 2.9Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.69Å; K68-E71 WeakPolarHBondContact O-CB 3.41Å; K68-E71 PolarHBondContact O-N 3.33Å; K68-E71 VanDerWaalsContact O-N 3.1Å; K68-Y72 HydrophobicContact CG-CD2 4.41Å; K68-Y72 HydrophobicContact CG-CE2 3.94Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.37Å |
| 69 | Y | 97.4 | Very high | 96.4 | Very high | 163 Ų | 163 | 106.7 Ų | 106.7 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -37.8 | 174.4 | 174.3 | -104.9 | 0 | 0 | 0 | 112.6 | V65 L66 L67 E71 Y72 | V65-Y69 WeakPolarHBondContact O-CB 3.33Å; V65-Y69 PolarHBondContact O-N 3.43Å; L66-Y69 WeakPolarHBondContact O-CB 3.4Å; L66-Y69 PolarHBondContact O-N 3.46Å; L67-Y69 VanDerWaalsContact C-N 3.29Å; L67-Y69 PolarHBondContact O-N 3.25Å; Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 2.81Å; Y69-Y72 PolarHBondContact O-N 2.84Å |
| 70 | T | 96.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 108.3 Ų | 108.3 | 64% | 0.638 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -73.3 | -12.6 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 3.07Å; L66-T70 PolarHBondContact O-OG1 3.22Å; L67-T70 PolarHBondContact O-N 3.37Å; L67-T70 PolarHBondContact O-OG1 2.75Å; K68-T70 VanDerWaalsContact C-N 3.31Å; K68-T70 PolarHBondContact O-N 2.69Å |
| 71 | E | 96.7 | Very high | 96.4 | Very high | 129 Ų | 129 | 111.8 Ų | 111.8 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -81.6 | -18.3 | 172.8 | -65.7 | 164.9 | 179 | 0 | 0 | 112.6 | L67 K68 Y69 | L67-E71 PolarHBondContact O-N 3.44Å; K68-E71 WeakPolarHBondContact O-CB 3.41Å; K68-E71 PolarHBondContact O-N 3.33Å; K68-E71 VanDerWaalsContact O-N 3.1Å; Y69-E71 VanDerWaalsContact C-N 3.28Å; Y69-E71 PolarHBondContact O-N 2.81Å |
| 72 | Y | 93.4 | Very high | 96.4 | Very high | 154 Ų | 154 | 110.5 Ų | 110.5 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | | | trans | -99 | 113.3 | 177.3 | -72.7 | -85.3 | 0 | 0 | 0 | 111.8 | K68 Y69 E74 | K68-Y72 HydrophobicContact CG-CD2 4.41Å; K68-Y72 HydrophobicContact CG-CE2 3.94Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.37Å; Y69-Y72 PolarHBondContact O-N 2.84Å; Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.1Å |
| 73 | N | 89.7 | Confident | 96.4 | Very high | 173 Ų | 173 | 112.2 Ų | 112.2 | 93% | 0.925 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -65.8 | -28.3 | 177.4 | -62.6 | -68.9 | 0 | 0 | 0 | 113.9 | | |
| 74 | E | 92.5 | Very high | 96.3 | Very high | 161 Ų | 161 | 110.1 Ų | 110.1 | 75% | 0.752 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -144 | 134 | -177.9 | -169.2 | 174 | -177.1 | 0 | 0 | 111.3 | Y72 | Y72-E74 VanDerWaalsContact C-N 3.3Å; Y72-E74 PolarHBondContact O-N 3.1Å |
| 75 | P | 95.2 | Very high | 96.2 | Very high | 71 Ų | 71 | 109 Ų | 109 | 46% | 0.461 | 55% | 0.552 | S | S | . | * | | | trans | -82.6 | 133.7 | 177.2 | 32.4 | -34.5 | 0 | 0 | 0 | 112.2 | E77 | P75-E77 PolarHBondContact O-N 3.09Š|
| 76 | H | 94.7 | Very high | 96.1 | Very high | 195 Ų | 195 | 113.5 Ų | 113.5 | 90% | 0.903 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -54.7 | -34.9 | 177 | 176.8 | -77.9 | 0 | 0 | 0 | 113.9 | | |
| 77 | E | 96.9 | Very high | 96 | Very high | 123 Ų | 123 | 112.9 Ų | 112.9 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -139.6 | 129.5 | 168.3 | -175.6 | 174.2 | 177.4 | 0 | 0 | 109.5 | P75 R79 | P75-E77 PolarHBondContact O-N 3.09Å; E77-R79 HydrophobicContact CG-CG 4.3Å; E77-R79 IonicContact OE1-CZ 3.14Å; E77-R79 IonicContact OE1-NE 2.71Å; E77-R79 PolarHBondContact OE1-NE 2.81Å; E77-R79 IonicContact OE1-NH2 2.72Å; E77-R79 PolarHBondContact OE1-NH2 2.79Å |
| 78 | S | 96.2 | Very high | 95.8 | Very high | 84 Ų | 84 | 113.6 Ų | 113.6 | 59% | 0.587 | 58% | 0.575 | S | S | * | * | | | trans | -119.2 | 140.6 | 172.9 | -172.2 | 0 | 0 | 0 | 0 | 110 | | |
| 79 | R | 97.3 | Very high | 95.6 | Very high | 147 Ų | 147 | 117.9 Ų | 117.9 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | | | trans | -142.7 | 131.7 | -179.5 | -64.8 | -64.4 | -179.1 | -159 | -7.1 | 111.2 | E77 | E77-R79 HydrophobicContact CG-CG 4.3Å; E77-R79 IonicContact OE1-CZ 3.14Å; E77-R79 IonicContact OE1-NE 2.71Å; E77-R79 PolarHBondContact OE1-NE 2.81Å; E77-R79 IonicContact OE1-NH2 2.72Å; E77-R79 PolarHBondContact OE1-NH2 2.79Å |
| 80 | T | 98.2 | Very high | 95.4 | Very high | 73 Ų | 73 | 118.6 Ų | 118.6 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | | | trans | -106.5 | 177.2 | 171.2 | 79 | 0 | 0 | 0 | 0 | 111 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 3.41Å; T80-S82 WeakPolarHBondContact OG1-CB 3.29Å; T80-S82 PolarHBondContact OG1-N 3.18Å; T80-S82 VanDerWaalsContact OG1-N 3.13Å; T80-D83 WeakPolarHBondContact CA-OD2 3.19Å; T80-D83 VanDerWaalsContact CB-OD2 3.27Å; T80-D83 WeakPolarHBondContact CB-OD2 3.31Å; T80-D83 PolarHBondContact N-OD2 2.97Å; T80-D83 PolarHBondContact O-N 2.74Å; T80-D83 PolarHBondContact OG1-OD2 3.25Å; T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 2.84Å |
| 81 | N | 97.5 | Very high | 94.8 | Very high | 135 Ų | 135 | 121.4 Ų | 121.4 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -58.4 | -30.9 | 171.7 | -69.8 | -34.8 | 0 | 0 | 0 | 112.6 | V85 | N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.92Å |
| 82 | S | 97.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 116.6 Ų | 116.6 | 62% | 0.615 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.1 | -48.3 | 179.9 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 3.41Å; T80-S82 WeakPolarHBondContact OG1-CB 3.29Å; T80-S82 PolarHBondContact OG1-N 3.18Å; T80-S82 VanDerWaalsContact OG1-N 3.13Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.82Å; S82-V85 PolarHBondContact O-N 3.48Å; S82-E86 PolarHBondContact O-N 3.37Å |
| 83 | D | 97.3 | Very high | 91.3 | Very high | 54 Ų | 54 | 117 Ų | 117 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.3 | -39 | 178.8 | -48.9 | -91.1 | 0 | 0 | 0 | 111.7 | T80 T87 | T80-D83 WeakPolarHBondContact CA-OD2 3.19Å; T80-D83 VanDerWaalsContact CB-OD2 3.27Å; T80-D83 WeakPolarHBondContact CB-OD2 3.31Å; T80-D83 PolarHBondContact N-OD2 2.97Å; T80-D83 PolarHBondContact O-N 2.74Å; T80-D83 PolarHBondContact OG1-OD2 3.25Å; D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.61Å |
| 84 | I | 96.6 | Very high | 89.1 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 43% | 0.426 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68 | -43.7 | 177.1 | -64.5 | 166.6 | 0 | 0 | 0 | 110.3 | T80 S82 T87 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.17Å; T80-I84 PolarHBondContact O-N 2.84Å; S82-I84 VanDerWaalsContact C-N 3.29Å; S82-I84 PolarHBondContact O-N 2.82Å; I84-T87 PolarHBondContact O-N 3.09Å; I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 WeakPolarHBondContact O-CB 3.13Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.18Å; I84-L88 PolarHBondContact O-N 3.35Å |
| 85 | V | 95.5 | Very high | 86.9 | Confident | 82 Ų | 82 | 112.3 Ų | 112.3 | 50% | 0.497 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -67.4 | -36.6 | 176.8 | 167.6 | 0 | 0 | 0 | 0 | 111.7 | N81 S82 R89 | N81-V85 WeakPolarHBondContact O-CB 3.23Å; N81-V85 VanDerWaalsContact O-CG2 3.27Å; N81-V85 WeakPolarHBondContact O-CG2 3.39Å; N81-V85 PolarHBondContact O-N 2.92Å; S82-V85 PolarHBondContact O-N 3.48Å; V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.2Å; V85-R89 VanDerWaalsContact O-N 3.08Å; V85-R89 PolarHBondContact O-NE 3.5Å |
| 86 | E | 96 | Very high | 84.3 | Confident | 115 Ų | 115 | 114.4 Ų | 114.4 | 54% | 0.537 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.6 | -47 | 171.8 | -170.6 | 172.1 | 139.8 | 0 | 0 | 112.1 | S82 L88 R89 K90 | S82-E86 PolarHBondContact O-N 3.37Å; E86-L88 PolarHBondContact O-N 2.82Å; E86-R89 CarbonylContact O-C 3.54Å; E86-R89 WeakPolarHBondContact O-CA 3.48Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-NH2 2.95Å; E86-K90 PolarHBondContact O-N 3.42Å |
| 87 | T | 95.3 | Very high | 81.9 | Confident | 53 Ų | 53 | 112 Ų | 112 | 33% | 0.325 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -58 | -37.4 | 175.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | D83 I84 K91 | D83-T87 VanDerWaalsContact O-CB 3.25Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.08Å; D83-T87 PolarHBondContact O-OG1 2.61Å; I84-T87 PolarHBondContact O-N 3.09Å; T87-K91 HydrophobicContact CG2-CD 3.89Å; T87-K91 HydrophobicContact CG2-CG 4.37Å; T87-K91 WeakPolarHBondContact O-CB 3.34Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.4Å; T87-K91 PolarHBondContact O-N 3.31Å |
| 88 | L | 93.9 | Very high | 79.7 | Confident | 119 Ų | 119 | 111.5 Ų | 111.5 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -74.3 | -22.3 | 175.5 | -71.7 | 170.1 | 0 | 0 | 0 | 114.1 | I84 E86 G92 | I84-L88 HydrophobicContact CG2-CD1 4Å; I84-L88 WeakPolarHBondContact O-CB 3.13Å; I84-L88 VanDerWaalsContact O-CG 3.23Å; I84-L88 WeakPolarHBondContact O-CG 3.18Å; I84-L88 PolarHBondContact O-N 3.35Å; E86-L88 PolarHBondContact O-N 2.82Å; L88-G92 PolarHBondContact O-N 2.84Å |
| 89 | R | 93.1 | Very high | 77.3 | Confident | 169 Ų | 169 | 113.3 Ų | 113.3 | 64% | 0.638 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -80.5 | -43.8 | 170.8 | -72.8 | 177.8 | -63.7 | 154.9 | 5.8 | 111.5 | V85 E86 G92 | V85-R89 VanDerWaalsContact O-CG 3.32Å; V85-R89 WeakPolarHBondContact O-CG 3.43Å; V85-R89 PolarHBondContact O-N 3.2Å; V85-R89 VanDerWaalsContact O-N 3.08Å; V85-R89 PolarHBondContact O-NE 3.5Å; E86-R89 CarbonylContact O-C 3.54Å; E86-R89 WeakPolarHBondContact O-CA 3.48Å; E86-R89 WeakPolarHBondContact O-CB 3.5Å; E86-R89 PolarHBondContact O-N 3.05Å; E86-R89 IonicContact OE2-NH2 2.95Å; R89-G92 WeakPolarHBondContact O-CA 3.38Å; R89-G92 PolarHBondContact O-N 3.29Å |
| 90 | K | 93.4 | Very high | 74.8 | Confident | 179 Ų | 179 | 112.5 Ų | 112.5 | 78% | 0.778 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71 | -32.5 | 177.3 | -174 | 170.1 | -177.5 | 171.5 | 0 | 112.8 | E86 G92 | E86-K90 PolarHBondContact O-N 3.42Å; K90-G92 PolarHBondContact O-N 3.44Å |
| 91 | K | 84.4 | Confident | 72.7 | Confident | 163 Ų | 163 | 114.7 Ų | 114.7 | 71% | 0.709 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 30.5 | 163 | -57.2 | 179.2 | -177.6 | 178.4 | 0 | 111.4 | T87 | T87-K91 HydrophobicContact CG2-CD 3.89Å; T87-K91 HydrophobicContact CG2-CG 4.37Å; T87-K91 WeakPolarHBondContact O-CB 3.34Å; T87-K91 VanDerWaalsContact O-CG 3.31Å; T87-K91 WeakPolarHBondContact O-CG 3.4Å; T87-K91 PolarHBondContact O-N 3.31Å |
| 92 | G | 59.8 | Low | 70.1 | Confident | 27 Ų | 27 | 116 Ų | 116 | 28% | 0.278 | 65% | 0.649 | S | S | . | * | | | trans | -51.5 | 152.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L88 R89 K90 N94 | L88-G92 PolarHBondContact O-N 2.84Å; R89-G92 WeakPolarHBondContact O-CA 3.38Å; R89-G92 PolarHBondContact O-N 3.29Å; K90-G92 PolarHBondContact O-N 3.44Å; G92-N94 PolarHBondContact O-N 2.93Å; G92-N94 PolarHBondContact O-OD1 2.79Å |
| 93 | L | 55.4 | Low | 68 | Low | 163 Ų | 163 | 116 Ų | 116 | 85% | 0.853 | 66% | 0.655 | S | S | * | * | | | trans | -64.6 | 93 | -168.5 | -80.2 | 63.3 | 0 | 0 | 0 | 110.9 | G95 | L93-G95 PolarHBondContact O-N 3.31Š|
| 94 | N | 45.2 | Very low | 65.5 | Low | 166 Ų | 166 | 121.6 Ų | 121.6 | 89% | 0.888 | 69% | 0.685 | S | S | * | * | | | trans | -69.1 | 73.9 | 169.2 | -71.5 | 10 | 0 | 0 | 0 | 108.8 | G92 | G92-N94 PolarHBondContact O-N 2.93Å; G92-N94 PolarHBondContact O-OD1 2.79Å |
| 95 | G | 44.5 | Very low | 63.1 | Low | 70 Ų | 70 | 124.2 Ų | 124.2 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | | | trans | -159 | 24.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L93 | L93-G95 PolarHBondContact O-N 3.31Š|
| 96 | C | 42.2 | Very low | 60.7 | Low | 115 Ų | 115 | 125 Ų | 125 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -166.6 | 132 | 156.2 | -157.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 97 | D | 42.8 | Very low | 58.2 | Low | 145 Ų | 145 | 126.3 Ų | 126.3 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | | | trans | 48.8 | 103.9 | 174.8 | -79.6 | 24.7 | 0 | 0 | 0 | 120.6 | | |
| 98 | S | 50.7 | Low | 55.5 | Low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | | 48.4 | 157.3 | 98.4 | -71.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 99 | P | 47.4 | Very low | 52.8 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | | | | -102.7 | 172.5 | -129.9 | 39.2 | -39.7 | 0 | 0 | 0 | 118 | | |
| 100 | D | 44.5 | Very low | 50.2 | Low | 131 Ų | 131 | 126.1 Ų | 126.1 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -53.1 | 139.5 | 174.7 | -170.9 | 4.1 | 0 | 0 | 0 | 116.3 | D102 | D100-D102 PolarHBondContact OD1-N 2.92Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å |
| 101 | P | 53.1 | Low | 48.1 | Very low | 119 Ų | 119 | 121.6 Ų | 121.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -128.6 | 54.7 | 164.8 | 41.8 | -27.8 | 0 | 0 | 0 | 115.1 | A103 | P101-A103 PolarHBondContact O-N 2.71Š|
| 102 | D | 43.7 | Very low | 46.2 | Very low | 161 Ų | 161 | 121.8 Ų | 121.8 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | trans | -73.7 | 63.3 | 163.1 | -103.6 | -20.5 | 0 | 0 | 0 | 112.1 | D100 | D100-D102 PolarHBondContact OD1-N 2.92Å; D100-D102 VanDerWaalsContact OD1-N 3.1Å |
| 103 | A | 54.1 | Low | 46.1 | Very low | 88 Ų | 88 | 124 Ų | 124 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | trans | -157 | 86.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | P101 | P101-A103 PolarHBondContact O-N 2.71Š|
| 104 | D | 44.4 | Very low | 46.1 | Very low | 172 Ų | 172 | 121.2 Ų | 121.2 | 92% | 0.92 | 74% | 0.74 | S | S | * | * | | | trans | 64 | 168.2 | 154.5 | -132.9 | -23.8 | 0 | 0 | 0 | 120.6 | | |
| 105 | D | 45.4 | Very low | 46.9 | Very low | 139 Ų | 139 | 116.7 Ų | 116.7 | 74% | 0.743 | 72% | 0.716 | S | S | * | * | | | trans | 58.6 | 96 | 171.7 | -123.8 | -31.4 | 0 | 0 | 0 | 120.4 | | |
| 106 | S | 46 | Very low | 47.8 | Very low | 98 Ų | 98 | 120.2 Ų | 120.2 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | | | | 36.5 | 130.7 | 125 | -141.3 | 0 | 0 | 0 | 0 | 122.2 | | |
| 107 | V | 43.6 | Very low | 49 | Very low | 143 Ų | 143 | 123 Ų | 123 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | | | trans | 67.2 | 101.4 | 162.2 | -172 | 0 | 0 | 0 | 0 | 116.9 | | |
| 108 | G | 38.7 | Very low | 50.4 | Low | 75 Ų | 75 | 121.3 Ų | 121.3 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | | | trans | -163.1 | 35.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117 | S110 | G108-S110 PolarHBondContact O-N 2.84Š|
| 109 | H | 37.3 | Very low | 51.7 | Low | 165 Ų | 165 | 123 Ų | 123 | 76% | 0.764 | 68% | 0.683 | S | S | * | * | | | trans | -60.2 | 138.4 | 174.7 | -76.4 | -84.2 | 0 | 0 | 0 | 111.8 | P111 | H109-P111 HydrophobicContact CB-CB 4.4Å; H109-P111 WeakPolarHBondContact O-CD 3.23Å |
| 110 | S | 37.4 | Very low | 53.1 | Low | 96 Ų | 96 | 121.2 Ų | 121.2 | 67% | 0.671 | 67% | 0.666 | S | S | * | * | | | trans | -100.8 | 92.5 | 158.4 | -173.8 | 0 | 0 | 0 | 0 | 108.3 | G108 E112 | G108-S110 PolarHBondContact O-N 2.84Å; S110-E112 VanDerWaalsContact C-N 3.34Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-E112 VanDerWaalsContact O-N 3.14Å |
| 111 | P | 49.7 | Very low | 54.8 | Low | 85 Ų | 85 | 119.4 Ų | 119.4 | 55% | 0.552 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | 46.5 | -156.9 | 38.7 | -34.1 | 0 | 0 | 0 | 112.7 | H109 | H109-P111 HydrophobicContact CB-CB 4.4Å; H109-P111 WeakPolarHBondContact O-CD 3.23Å |
| 112 | E | 45.4 | Very low | 56.2 | Low | 167 Ų | 167 | 119.1 Ų | 119.1 | 78% | 0.78 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -21.7 | -178.4 | -68.6 | -160.5 | 111.1 | 0 | 0 | 114.5 | S110 | S110-E112 VanDerWaalsContact C-N 3.34Å; S110-E112 PolarHBondContact O-N 3.17Å; S110-E112 VanDerWaalsContact O-N 3.14Å |
| 113 | S | 57.1 | Low | 58.1 | Low | 73 Ų | 73 | 116 Ų | 116 | 51% | 0.51 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -91.5 | -46.3 | -179.2 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | K116 Y117 | S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 3.19Å; S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; S113-Y117 PolarHBondContact O-N 3.47Å |
| 114 | E | 55.1 | Low | 59.5 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 49% | 0.491 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.5 | -43.1 | -174.8 | -153.1 | -178.5 | 104.6 | 0 | 0 | 111.9 | K116 Y117 R118 | E114-K116 PolarHBondContact O-N 3.39Å; E114-Y117 PolarHBondContact O-N 2.93Å; E114-R118 PolarHBondContact O-N 3.1Å; E114-R118 IonicContact OE1-CZ 3.49Å; E114-R118 VanDerWaalsContact OE1-CZ 3.24Å; E114-R118 IonicContact OE1-NH1 2.75Å; E114-R118 PolarHBondContact OE1-NH1 3.2Å; E114-R118 IonicContact OE1-NH2 2.79Å; E114-R118 PolarHBondContact OE1-NH2 3.2Å |
| 115 | D | 62.1 | Low | 61.3 | Low | 70 Ų | 70 | 111.3 Ų | 111.3 | 37% | 0.374 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.7 | -22.9 | 177 | -62.9 | -63.3 | 0 | 0 | 0 | 113 | R118 K119 | D115-R118 IonicContact OD1-CZ 2.81Å; D115-R118 IonicContact OD1-NE 3.24Å; D115-R118 PolarHBondContact OD1-NE 2.7Å; D115-R118 IonicContact OD1-NH2 2.61Å; D115-R118 PolarHBondContact OD1-NH2 2.76Å; D115-R118 IonicContact OD2-NH2 2.67Å; D115-R118 PolarHBondContact OD2-NH2 2.76Å; D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.97Å |
| 116 | K | 62.7 | Low | 63.1 | Low | 144 Ų | 144 | 109 Ų | 109 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.8 | -37.6 | 169.2 | -170.2 | 175.6 | -178 | 177.4 | 0 | 111.6 | S113 E114 I120 | S113-K116 WeakPolarHBondContact O-CB 3.42Å; S113-K116 PolarHBondContact O-N 3.19Å; E114-K116 PolarHBondContact O-N 3.39Å; K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CB 3.43Å; K116-I120 WeakPolarHBondContact O-CD1 3.41Å; K116-I120 WeakPolarHBondContact O-CG1 3.19Å; K116-I120 PolarHBondContact O-N 2.83Å; K116-I120 VanDerWaalsContact O-N 3.12Å |
| 117 | Y | 68.2 | Low | 64.7 | Low | 175 Ų | 175 | 108.9 Ų | 108.9 | 69% | 0.686 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.9 | -41.2 | 174.6 | -70.7 | -69.3 | 0 | 0 | 0 | 112.5 | S113 E114 K119 I120 N121 | S113-Y117 WeakPolarHBondContact O-CD2 3.5Å; S113-Y117 PolarHBondContact O-N 3.47Å; E114-Y117 PolarHBondContact O-N 2.93Å; Y117-K119 PolarHBondContact O-N 3.31Å; Y117-I120 PolarHBondContact O-N 2.67Å; Y117-N121 PolarHBondContact O-N 3.49Å |
| 118 | R | 72.7 | Confident | 66.5 | Low | 108 Ų | 108 | 105.9 Ų | 105.9 | 41% | 0.408 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -53.9 | -52.2 | 170.3 | -86.3 | -171.8 | -84.4 | -84.3 | -1.4 | 111.1 | E114 D115 I120 N121 E122 | E114-R118 PolarHBondContact O-N 3.1Å; E114-R118 IonicContact OE1-CZ 3.49Å; E114-R118 VanDerWaalsContact OE1-CZ 3.24Å; E114-R118 IonicContact OE1-NH1 2.75Å; E114-R118 PolarHBondContact OE1-NH1 3.2Å; E114-R118 IonicContact OE1-NH2 2.79Å; E114-R118 PolarHBondContact OE1-NH2 3.2Å; D115-R118 IonicContact OD1-CZ 2.81Å; D115-R118 IonicContact OD1-NE 3.24Å; D115-R118 PolarHBondContact OD1-NE 2.7Å; D115-R118 IonicContact OD1-NH2 2.61Å; D115-R118 PolarHBondContact OD1-NH2 2.76Å; D115-R118 IonicContact OD2-NH2 2.67Å; D115-R118 PolarHBondContact OD2-NH2 2.76Å; R118-I120 PolarHBondContact O-N 2.95Å; R118-N121 WeakPolarHBondContact O-CB 3.42Å; R118-N121 PolarHBondContact O-N 2.79Å; R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.06Å |
| 119 | K | 76.3 | Confident | 68.3 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 64% | 0.639 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -31.7 | -176.4 | -165.1 | 160.7 | -170.8 | 165.8 | 0 | 113.7 | D115 Y117 D123 | D115-K119 WeakPolarHBondContact O-CB 3.33Å; D115-K119 PolarHBondContact O-N 2.97Å; Y117-K119 PolarHBondContact O-N 3.31Å; K119-D123 WeakPolarHBondContact O-CB 3.26Å; K119-D123 PolarHBondContact O-N 3.47Å |
| 120 | I | 78.4 | Confident | 70 | Confident | 85 Ų | 85 | 105.6 Ų | 105.6 | 44% | 0.436 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67 | -40.5 | 170.3 | -73.1 | 166.7 | 0 | 0 | 0 | 110.8 | K116 Y117 R118 D123 I124 | K116-I120 HydrophobicContact CG-CD1 4.19Å; K116-I120 WeakPolarHBondContact O-CB 3.43Å; K116-I120 WeakPolarHBondContact O-CD1 3.41Å; K116-I120 WeakPolarHBondContact O-CG1 3.19Å; K116-I120 PolarHBondContact O-N 2.83Å; K116-I120 VanDerWaalsContact O-N 3.12Å; Y117-I120 PolarHBondContact O-N 2.67Å; R118-I120 PolarHBondContact O-N 2.95Å; I120-D123 PolarHBondContact O-N 3.49Å; I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CB 3.29Å; I120-I124 WeakPolarHBondContact O-CD1 3.42Å; I120-I124 VanDerWaalsContact O-CG1 3.26Å; I120-I124 WeakPolarHBondContact O-CG1 3.24Å; I120-I124 PolarHBondContact O-N 2.79Å |
| 121 | N | 79.7 | Confident | 71.1 | Confident | 92 Ų | 92 | 107.8 Ų | 107.8 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 175.9 | -167 | 98.1 | 0 | 0 | 0 | 111.4 | Y117 R118 D123 I124 D125 | Y117-N121 PolarHBondContact O-N 3.49Å; R118-N121 WeakPolarHBondContact O-CB 3.42Å; R118-N121 PolarHBondContact O-N 2.79Å; N121-D123 VanDerWaalsContact C-N 3.35Å; N121-D123 PolarHBondContact O-N 3.39Å; N121-I124 PolarHBondContact O-N 3.03Å; N121-D125 PolarHBondContact ND2-OD2 3.04Å; N121-D125 PolarHBondContact O-N 3.38Å |
| 122 | E | 81.8 | Confident | 71.6 | Confident | 114 Ų | 114 | 114 Ų | 114 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 175.1 | -72.4 | 167.3 | -164.2 | 0 | 0 | 112.5 | R118 D125 L126 | R118-E122 WeakPolarHBondContact O-CG 3.48Å; R118-E122 PolarHBondContact O-N 3.06Å; E122-D125 PolarHBondContact O-N 3.43Å; E122-L126 WeakPolarHBondContact O-CB 3.3Å; E122-L126 PolarHBondContact O-N 3.48Å |
| 123 | D | 83.4 | Confident | 72 | Confident | 96 Ų | 96 | 113 Ų | 113 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.6 | -30.8 | -179.9 | -154.5 | 30.3 | 0 | 0 | 0 | 112 | K119 I120 N121 M127 | K119-D123 WeakPolarHBondContact O-CB 3.26Å; K119-D123 PolarHBondContact O-N 3.47Å; I120-D123 PolarHBondContact O-N 3.49Å; N121-D123 VanDerWaalsContact C-N 3.35Å; N121-D123 PolarHBondContact O-N 3.39Å; D123-M127 WeakPolarHBondContact O-CB 3.16Å; D123-M127 PolarHBondContact O-N 3.43Å |
| 124 | I | 84 | Confident | 71.3 | Confident | 79 Ų | 79 | 114.2 Ų | 114.2 | 41% | 0.405 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -49.6 | 170.1 | -71.3 | 167.1 | 0 | 0 | 0 | 111 | I120 N121 L126 M127 I128 | I120-I124 HydrophobicContact CG2-CD1 3.88Å; I120-I124 WeakPolarHBondContact O-CB 3.29Å; I120-I124 WeakPolarHBondContact O-CD1 3.42Å; I120-I124 VanDerWaalsContact O-CG1 3.26Å; I120-I124 WeakPolarHBondContact O-CG1 3.24Å; I120-I124 PolarHBondContact O-N 2.79Å; N121-I124 PolarHBondContact O-N 3.03Å; I124-L126 VanDerWaalsContact C-N 3.29Å; I124-L126 PolarHBondContact O-N 3.44Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 2.87Å; I124-I128 HydrophobicContact CG2-CD1 3.82Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.88Å |
| 125 | D | 83 | Confident | 70.7 | Confident | 82 Ų | 82 | 113.9 Ų | 113.9 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.8 | -34.2 | 178.2 | -79.4 | -35.9 | 0 | 0 | 0 | 111.9 | N121 E122 I128 S129 | N121-D125 PolarHBondContact ND2-OD2 3.04Å; N121-D125 PolarHBondContact O-N 3.38Å; E122-D125 PolarHBondContact O-N 3.43Å; D125-I128 PolarHBondContact O-N 3.3Å; D125-S129 VanDerWaalsContact O-CB 3.24Å; D125-S129 WeakPolarHBondContact O-CB 3.16Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 3.33Å |
| 126 | L | 81.8 | Confident | 70.2 | Confident | 89 Ų | 89 | 116.6 Ų | 116.6 | 47% | 0.466 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.5 | -37.3 | 173.2 | -171.2 | 64.9 | 0 | 0 | 0 | 111.9 | E122 I124 R130 | E122-L126 WeakPolarHBondContact O-CB 3.3Å; E122-L126 PolarHBondContact O-N 3.48Å; I124-L126 VanDerWaalsContact C-N 3.29Å; I124-L126 PolarHBondContact O-N 3.44Å; L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.41Å; L126-R130 PolarHBondContact O-N 2.86Å |
| 127 | M | 80.3 | Confident | 69.8 | Low | 96 Ų | 96 | 114.8 Ų | 114.8 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.7 | -48.2 | 170 | -98.2 | -170.6 | -77.6 | 0 | 0 | 112 | D123 I124 S129 R130 Q131 | D123-M127 WeakPolarHBondContact O-CB 3.16Å; D123-M127 PolarHBondContact O-N 3.43Å; I124-M127 WeakPolarHBondContact O-CB 3.32Å; I124-M127 PolarHBondContact O-N 2.87Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 3.17Å; M127-R130 PolarHBondContact O-N 3.47Å; M127-Q131 WeakPolarHBondContact O-CB 3.18Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.37Å; M127-Q131 PolarHBondContact O-N 2.83Å |
| 128 | I | 81 | Confident | 69.2 | Low | 80 Ų | 80 | 111.4 Ų | 111.4 | 41% | 0.41 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.7 | -43.1 | 178.4 | -68 | 165.1 | 0 | 0 | 0 | 110.2 | I124 D125 Q131 R132 | I124-I128 HydrophobicContact CG2-CD1 3.82Å; I124-I128 WeakPolarHBondContact O-CG1 3.34Å; I124-I128 PolarHBondContact O-N 2.88Å; D125-I128 PolarHBondContact O-N 3.3Å; I128-Q131 PolarHBondContact O-N 2.72Å; I128-R132 PolarHBondContact O-N 2.88Å |
| 129 | S | 75.9 | Confident | 68.1 | Low | 63 Ų | 63 | 112.4 Ų | 112.4 | 44% | 0.441 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.4 | -44.5 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | D125 M127 R132 L133 | D125-S129 VanDerWaalsContact O-CB 3.24Å; D125-S129 WeakPolarHBondContact O-CB 3.16Å; D125-S129 PolarHBondContact O-N 2.89Å; D125-S129 PolarHBondContact O-OG 3.33Å; M127-S129 VanDerWaalsContact C-N 3.3Å; M127-S129 PolarHBondContact O-N 3.17Å; S129-R132 PolarHBondContact O-N 3.26Å; S129-L133 PolarHBondContact O-N 3.02Å |
| 130 | R | 74.1 | Confident | 66.4 | Low | 172 Ų | 172 | 112.1 Ų | 112.1 | 65% | 0.649 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.4 | -41.3 | 175.7 | -78.8 | 173.7 | 167.7 | -100.5 | -0.6 | 112.2 | L126 M127 R132 L133 C134 | L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.36Å; L126-R130 VanDerWaalsContact O-CG 3.29Å; L126-R130 WeakPolarHBondContact O-CG 3.41Å; L126-R130 PolarHBondContact O-N 2.86Å; M127-R130 PolarHBondContact O-N 3.47Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.43Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.11Å; R130-C134 PolarHBondContact O-N 3.41Å |
| 131 | Q | 60.7 | Low | 64.9 | Low | 142 Ų | 142 | 118.1 Ų | 118.1 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.2 | -33.1 | 176.9 | -72.4 | 176.8 | 22.8 | 0 | 0 | 112.2 | M127 I128 L133 | M127-Q131 WeakPolarHBondContact O-CB 3.18Å; M127-Q131 VanDerWaalsContact O-CG 3.3Å; M127-Q131 WeakPolarHBondContact O-CG 3.37Å; M127-Q131 PolarHBondContact O-N 2.83Å; I128-Q131 PolarHBondContact O-N 2.72Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.43Å |
| 132 | R | 58.9 | Low | 63.1 | Low | 215 Ų | 215 | 122.1 Ų | 122.1 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -75.8 | -10.6 | 172.8 | -74.3 | -170.2 | 175.5 | -161.7 | 0.7 | 115 | I128 S129 R130 | I128-R132 PolarHBondContact O-N 2.88Å; S129-R132 PolarHBondContact O-N 3.26Å; R130-R132 VanDerWaalsContact C-N 3.3Å; R130-R132 PolarHBondContact O-N 3.43Å |
| 133 | L | 54.3 | Low | 61.7 | Low | 145 Ų | 145 | 124.8 Ų | 124.8 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -98.2 | -13 | 178.4 | -78.3 | 163.6 | 0 | 0 | 0 | 114.1 | S129 R130 Q131 A135 | S129-L133 PolarHBondContact O-N 3.02Å; R130-L133 PolarHBondContact O-N 2.94Å; R130-L133 VanDerWaalsContact O-N 3.11Å; Q131-L133 VanDerWaalsContact C-N 3.31Å; Q131-L133 PolarHBondContact O-N 3.43Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact O-N 3.14Å |
| 134 | C | 43.8 | Very low | 60.1 | Low | 100 Ų | 100 | 125 Ų | 125 | 68% | 0.676 | 67% | 0.665 | S | S | * | * | | | trans | -86.7 | 68.5 | 173.6 | -73 | 0 | 0 | 0 | 0 | 112.2 | R130 V136 | R130-C134 PolarHBondContact O-N 3.41Å; C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.06Å |
| 135 | A | 42 | Very low | 58.6 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | | | trans | -72.1 | 83.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L133 | L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 2.85Å; L133-A135 VanDerWaalsContact O-N 3.14Å |
| 136 | V | 50.9 | Low | 56.9 | Low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -75 | 126.2 | 173.3 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | C134 | C134-V136 VanDerWaalsContact C-N 3.35Å; C134-V136 PolarHBondContact O-N 3.06Å |
| 137 | P | 54.2 | Low | 55.6 | Low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.8 | 178.5 | 29 | -34.7 | 0 | 0 | 0 | 111.7 | | |
| 138 | P | 56.7 | Low | 54.2 | Low | 105 Ų | 105 | 134.4 Ų | 134.4 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.7 | -179.1 | 29.3 | -35.2 | 0 | 0 | 0 | 111.9 | N140 | P138-N140 PolarHBondContact O-N 2.98Š|
| 139 | P | 48.4 | Very low | 52.4 | Low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 119.2 | -176.1 | 29.7 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 140 | N | 41.2 | Very low | 51.2 | Low | 141 Ų | 141 | 139.2 Ų | 139.2 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | | | trans | -106.6 | 95.8 | 167 | -76.3 | -63.1 | 0 | 0 | 0 | 109.7 | P138 | P138-N140 PolarHBondContact O-N 2.98Š|
| 141 | F | 46.7 | Very low | 49.9 | Very low | 211 Ų | 211 | 135.2 Ų | 135.2 | 93% | 0.925 | 77% | 0.765 | S | S | * | * | | | trans | -140.5 | 107.5 | 157.8 | -86.7 | -69.1 | 0 | 0 | 0 | 110.2 | | |
| 142 | E | 42.8 | Very low | 49.4 | Very low | 176 Ų | 176 | 136.8 Ų | 136.8 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -80.1 | 140.1 | 175.3 | -176.4 | 178.9 | -177.7 | 0 | 0 | 110 | | |
| 143 | M | 52.2 | Low | 48.5 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | | | trans | -146.3 | 94.5 | 177.4 | -167.7 | 65.3 | 152.7 | 0 | 0 | 110.3 | | |
| 144 | P | 49.8 | Very low | 48 | Very low | 102 Ų | 102 | 130 Ų | 130 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | -86.4 | 125.6 | -174.9 | 32.3 | -32.6 | 0 | 0 | 0 | 112 | | |
| 145 | V | 51.2 | Low | 48.1 | Very low | 135 Ų | 135 | 132.5 Ų | 132.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -135.7 | 135.4 | 167.4 | -178.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 146 | T | 48 | Very low | 48.1 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 80% | 0.798 | 76% | 0.756 | S | S | * | * | | | trans | -110.7 | 128.5 | -158.7 | -35.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 147 | I | 55.1 | Low | 47.7 | Very low | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | -137.4 | 133.5 | 163.8 | -60.8 | -175.5 | 0 | 0 | 0 | 107.9 | | |
| 148 | P | 49.8 | Very low | 47.1 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | trans | -86.3 | 156.9 | -164.2 | 33.5 | -37 | 0 | 0 | 0 | 115 | | |
| 149 | V | 43.9 | Very low | 46.2 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | -106.6 | 132.7 | 168.1 | 166.2 | 0 | 0 | 0 | 0 | 110 | | |
| 150 | S | 51.5 | Low | 46.5 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | | | trans | -94.8 | 121.5 | 161.8 | 53.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 151 | S | 46.3 | Very low | 46.4 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | | 28.6 | 138.5 | 125.3 | -37.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 152 | H | 49 | Very low | 46.3 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.815 | 75% | 0.748 | S | S | * | * | | | cis | -146.7 | 177.7 | 19.3 | -46.9 | -109.1 | 0 | 0 | 0 | 108.2 | | |
| 153 | N | 40 | Very low | 46.2 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | | | cis | -156.8 | 157 | 10.7 | -159.3 | 14.7 | 0 | 0 | 0 | 111.2 | | |
| 154 | S | 45.1 | Very low | 46 | Very low | 79 Ų | 79 | 127.9 Ų | 127.9 | 55% | 0.552 | 74% | 0.744 | S | S | * | * | | | trans | 16.1 | 137.1 | 148.1 | 75.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 155 | L | 44.5 | Very low | 45.5 | Very low | 153 Ų | 153 | 126.8 Ų | 126.8 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | | | cis | -159 | 163.9 | 42.7 | -89.9 | -179 | 0 | 0 | 0 | 114.3 | | |
| 156 | V | 43.2 | Very low | 45.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | | | trans | -21.2 | 155.9 | 160.3 | -61.7 | 0 | 0 | 0 | 0 | 118 | | |
| 157 | Y | 41.2 | Very low | 45.3 | Very low | 217 Ų | 217 | 126 Ų | 126 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | | | cis | -169.7 | 174.1 | 0.3 | -109.6 | 170.6 | 0 | 0 | 0 | 107.5 | | |
| 158 | S | 43.5 | Very low | 44.5 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | | | cis | -152.1 | -165.5 | 1.2 | -147.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 159 | N | 37.5 | Very low | 44.2 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | | | trans | -158.4 | -174.2 | 177 | -130.2 | -13.6 | 0 | 0 | 0 | 109 | | |
| 160 | P | 53.3 | Low | 44.6 | Very low | 100 Ų | 100 | 129.1 Ų | 129.1 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | | | cis | -132.2 | -164.6 | -28.4 | 40.9 | -23.4 | 0 | 0 | 0 | 112.1 | | |
| 161 | V | 40.6 | Very low | 44.3 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | | | | 162.3 | 133.7 | 110.6 | 72.8 | 0 | 0 | 0 | 0 | 114.7 | | |
| 162 | S | 43 | Very low | 44.2 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | 58.3 | 148.7 | 160.4 | 55.7 | 0 | 0 | 0 | 0 | 120.1 | | |
| 163 | S | 42.5 | Very low | 43.8 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 67% | 0.671 | 76% | 0.756 | S | S | * | * | | | cis | -161.8 | 134.7 | -6.5 | 155.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 164 | L | 46 | Very low | 43.9 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | | | trans | 34.1 | 132.3 | 157.2 | -69.7 | 91.2 | 0 | 0 | 0 | 121.8 | | |
| 165 | G | 40.2 | Very low | 43.7 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | | | trans | 140 | 105.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 166 | N | 44.6 | Very low | 43.4 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | -120.1 | 174.9 | -175 | -140.1 | 22.7 | 0 | 0 | 0 | 110.9 | | |
| 167 | P | 49.5 | Very low | 43.4 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 58% | 0.578 | 78% | 0.777 | S | S | * | * | | | | -132.1 | -158.1 | -95.5 | 42.9 | -26.3 | 0 | 0 | 0 | 113.9 | | |
| 168 | N | 40 | Very low | 43.5 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | | | trans | 78.3 | 77 | 161.8 | -62.1 | -13.1 | 0 | 0 | 0 | 118.8 | | |
| 169 | L | 42.5 | Very low | 43.3 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 89% | 0.89 | 78% | 0.775 | S | S | * | * | | | trans | -129.8 | 125.6 | 138.7 | -72.6 | 176.2 | 0 | 0 | 0 | 109.2 | | |
| 170 | L | 53.1 | Low | 43.3 | Very low | 170 Ų | 170 | 134 Ų | 134 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | -128.7 | 143.7 | 170.1 | -83.9 | -177.7 | 0 | 0 | 0 | 109 | | |
| 171 | P | 45.7 | Very low | 42.7 | Very low | 107 Ų | 107 | 133 Ų | 133 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | | | | -141.4 | -162.4 | -103.8 | 42.3 | -25.6 | 0 | 0 | 0 | 114.1 | | |
| 172 | L | 42.7 | Very low | 43 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | | | trans | 96.5 | 108.7 | 157.3 | -153.9 | 68.4 | 0 | 0 | 0 | 115.2 | | |
| 173 | A | 41.2 | Very low | 42.9 | Very low | 88 Ų | 88 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | trans | -97.9 | 162.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 174 | H | 41.3 | Very low | 43.1 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 85% | 0.852 | 78% | 0.778 | S | S | * | * | | | trans | -56.3 | 154.6 | 163.7 | -63.7 | -104 | 0 | 0 | 0 | 110.5 | | |
| 175 | P | 41.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 132.8 Ų | 132.8 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | | | | -140.6 | 174.5 | 67.6 | 38.4 | -20.1 | 0 | 0 | 0 | 116.5 | | |
| 176 | S | 38.2 | Very low | 43.2 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -68 | 158.2 | 167.2 | 47.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 177 | L | 43.7 | Very low | 43.2 | Very low | 151 Ų | 151 | 135.1 Ų | 135.1 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | | -176.6 | 136.1 | 119 | -97.2 | 168.6 | 0 | 0 | 0 | 113.3 | | |
| 178 | Q | 43.2 | Very low | 42.8 | Very low | 153 Ų | 153 | 139.6 Ų | 139.6 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | | | trans | 42.3 | 139.8 | 144.4 | -78.9 | -169.2 | 22.2 | 0 | 0 | 125 | | |
| 179 | R | 38.1 | Very low | 43 | Very low | 208 Ų | 208 | 143 Ų | 143 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | 97.9 | 139.6 | 133.5 | -91.9 | -178.1 | -177.2 | -128.6 | 0.9 | 121 | | |
| 180 | N | 39.1 | Very low | 43.4 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | | | trans | 57.4 | 106.1 | 154.3 | -72.8 | 84.7 | 0 | 0 | 0 | 117.7 | | |
| 181 | S | 40.1 | Very low | 43.4 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 55% | 0.552 | 78% | 0.778 | S | S | * | * | | | | 91.3 | 156.5 | 57.6 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 182 | M | 45.8 | Very low | 43.3 | Very low | 171 Ų | 171 | 138.2 Ų | 138.2 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | | | trans | 85.8 | 104.3 | 177 | -45.7 | -49.4 | 169 | 0 | 0 | 115.7 | | |
| 183 | S | 41.8 | Very low | 43.6 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -93.2 | -167.8 | 160 | -27.7 | 0 | 0 | 0 | 0 | 109 | | |
| 184 | P | 46.6 | Very low | 43.7 | Very low | 131 Ų | 131 | 134.4 Ų | 134.4 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | cis | -123.2 | 178.7 | -36.5 | 36.6 | -21.9 | 0 | 0 | 0 | 111.3 | | |
| 185 | G | 41.8 | Very low | 43.7 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | | | trans | -178.1 | 133.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 186 | V | 47.6 | Very low | 43.8 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -106.2 | 142.6 | 173.4 | -68.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 187 | T | 42.9 | Very low | 44.1 | Very low | 146 Ų | 146 | 132 Ų | 132 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | | | trans | -166.5 | 155.4 | 160.1 | 0.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 188 | H | 42.3 | Very low | 43.9 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -100.6 | 143.7 | 175.2 | -90.4 | -110.2 | 0 | 0 | 0 | 112.3 | | |
| 189 | R | 43.6 | Very low | 44.2 | Very low | 218 Ų | 218 | 128.8 Ų | 128.8 | 82% | 0.823 | 79% | 0.792 | S | S | * | * | | | trans | 34.6 | 120.4 | 140.3 | -169.3 | -130.8 | -176.2 | -165.8 | 0.3 | 120 | | |
| 190 | P | 49.9 | Very low | 44.6 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | | | | -142.4 | -164 | 127.4 | 36.9 | -19 | 0 | 0 | 0 | 112.5 | | |
| 191 | P | 54.2 | Low | 44.8 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 81% | 0.805 | S | S | * | * | | | | -127.3 | -154.9 | -66.8 | 40.7 | -25.8 | 0 | 0 | 0 | 112.5 | | |
| 192 | S | 43.5 | Very low | 45 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -138.5 | 140.6 | 177.8 | -51.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 193 | A | 49.8 | Very low | 44.7 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | -166.8 | 156.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 194 | G | 43 | Very low | 45 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | | | cis | 178.2 | 142.3 | -10.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 195 | N | 41.2 | Very low | 44.9 | Very low | 148 Ų | 148 | 124.5 Ų | 124.5 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 41.7 | 127 | 143.1 | -166.7 | 42.9 | 0 | 0 | 0 | 122.6 | | |
| 196 | T | 43.6 | Very low | 44.8 | Very low | 126 Ų | 126 | 126.6 Ų | 126.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | | 172 | 129.1 | 115.3 | 40.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 197 | G | 43.4 | Very low | 44.5 | Very low | 84 Ų | 84 | 123 Ų | 123 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | | | trans | 74.4 | 150 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 198 | G | 41 | Very low | 44.4 | Very low | 72 Ų | 72 | 121.6 Ų | 121.6 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | cis | 167.7 | 146.7 | -13.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 199 | L | 48.2 | Very low | 44.3 | Very low | 164 Ų | 164 | 115.7 Ų | 115.7 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | | | trans | 77.6 | 138.8 | 159.1 | -51.5 | 177.4 | 0 | 0 | 0 | 121.3 | | |
| 200 | M | 46.7 | Very low | 44.3 | Very low | 182 Ų | 182 | 112 Ų | 112 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | 61.7 | 143.6 | 165.9 | -45.4 | -44.2 | -153.8 | 0 | 0 | 119.9 | | |
| 201 | G | 43 | Very low | 44 | Very low | 76 Ų | 76 | 112.2 Ų | 112.2 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | cis | 147.8 | 94 | -13.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 202 | G | 44.4 | Very low | 43.7 | Very low | 71 Ų | 71 | 111.7 Ų | 111.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | | | trans | 72.9 | 170.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 203 | D | 41 | Very low | 43.8 | Very low | 148 Ų | 148 | 109.7 Ų | 109.7 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | | | cis | -166.9 | 173.1 | -19.1 | -134.8 | -40.1 | 0 | 0 | 0 | 112.4 | | |
| 204 | L | 48 | Very low | 43.3 | Very low | 142 Ų | 142 | 112.5 Ų | 112.5 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | 64.5 | 110.8 | 147.1 | -71.3 | 170 | 0 | 0 | 0 | 124.2 | | |
| 205 | T | 43.2 | Very low | 43.2 | Very low | 113 Ų | 113 | 111.9 Ų | 111.9 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | | | trans | 66.8 | 138.7 | 136.5 | 134.2 | 0 | 0 | 0 | 0 | 125.4 | | |
| 206 | S | 40.3 | Very low | 43.4 | Very low | 120 Ų | 120 | 116.1 Ų | 116.1 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | 67.2 | 155.6 | 147.2 | -56.8 | 0 | 0 | 0 | 0 | 119.8 | | |
| 207 | G | 40.7 | Very low | 43.5 | Very low | 67 Ų | 67 | 113.6 Ų | 113.6 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | | | cis | 158 | 142.8 | -6.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 208 | A | 41.1 | Very low | 43.8 | Very low | 116 Ų | 116 | 116.9 Ų | 116.9 | 96% | 0.959 | 79% | 0.792 | S | S | * | * | | | trans | 63.4 | 158.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 209 | G | 40.8 | Very low | 44.3 | Very low | 59 Ų | 59 | 118.5 Ų | 118.5 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | | | cis | 170.1 | 149.8 | -15.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 210 | T | 43.6 | Very low | 44.2 | Very low | 139 Ų | 139 | 121.4 Ų | 121.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | | | trans | 71.4 | 152.4 | 155 | 65.4 | 0 | 0 | 0 | 0 | 122.4 | | |
| 211 | S | 44 | Very low | 44 | Very low | 118 Ų | 118 | 118.4 Ų | 118.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | | | trans | 74 | 146.2 | 166 | 77.8 | 0 | 0 | 0 | 0 | 118.4 | | |
| 212 | A | 46.9 | Very low | 44.2 | Very low | 104 Ų | 104 | 119.8 Ų | 119.8 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | cis | -162.3 | 150.5 | -26.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 213 | G | 45.8 | Very low | 44.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 78% | 0.784 | 78% | 0.776 | S | S | * | * | | | trans | 167.6 | 102.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 214 | N | 40.1 | Very low | 44.8 | Very low | 167 Ų | 167 | 118 Ų | 118 | 89% | 0.893 | 77% | 0.77 | S | S | * | * | | | trans | -76.6 | 161.5 | 160.9 | -70.2 | -6.1 | 0 | 0 | 0 | 109.7 | | |
| 215 | G | 40.4 | Very low | 44.7 | Very low | 57 Ų | 57 | 118.7 Ų | 118.7 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | | | cis | 160.6 | -179.9 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 216 | Y | 44.9 | Very low | 44.8 | Very low | 238 Ų | 238 | 120.5 Ų | 120.5 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | | | trans | 64.4 | 145.8 | -177.7 | -48.7 | -87.7 | 0 | 0 | 0 | 115.2 | | |
| 217 | G | 45.2 | Very low | 45.2 | Very low | 73 Ų | 73 | 121.2 Ų | 121.2 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | cis | 133.2 | 95.8 | -6.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 218 | N | 49.6 | Very low | 45.4 | Very low | 152 Ų | 152 | 123 Ų | 123 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -151.8 | 105.7 | 177.3 | -169.7 | 37.7 | 0 | 0 | 0 | 114.8 | | |
| 219 | P | 52.2 | Low | 45.7 | Very low | 107 Ų | 107 | 123.8 Ų | 123.8 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | trans | -121.3 | 169.4 | 154.3 | 37.9 | -28 | 0 | 0 | 0 | 112.1 | | |
| 220 | R | 46 | Very low | 46 | Very low | 224 Ų | 224 | 124.9 Ų | 124.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | 79 | 160.4 | -173.2 | -46 | 163.6 | 87.6 | 147.1 | 6.5 | 111.3 | | |
| 221 | N | 43.6 | Very low | 45.9 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | | | cis | -141.9 | 156.5 | 12.5 | -154.1 | 61.7 | 0 | 0 | 0 | 108.8 | | |
| 222 | S | 46.9 | Very low | 46.6 | Very low | 105 Ų | 105 | 127.8 Ų | 127.8 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | | | | 176.5 | 164.7 | 85.5 | -84.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 223 | P | 51.8 | Low | 46.4 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | trans | -136 | 175.8 | -143.6 | 43 | -27.1 | 0 | 0 | 0 | 118.4 | | |
| 224 | G | 45.8 | Very low | 46.7 | Very low | 65 Ų | 65 | 136.3 Ų | 136.3 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | | | trans | 118.8 | 156.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 225 | L | 45.5 | Very low | 46.8 | Very low | 156 Ų | 156 | 135.1 Ų | 135.1 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | | | cis | -158.7 | 132.9 | -15.9 | -88.3 | -178.6 | 0 | 0 | 0 | 111.2 | | |
| 226 | L | 45.3 | Very low | 47.5 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | | | trans | 62.8 | 160.8 | 141.1 | -60.6 | 170.8 | 0 | 0 | 0 | 123.9 | | |
| 227 | V | 48.6 | Very low | 47.6 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 74.2 | 133.3 | 165.9 | -171 | 0 | 0 | 0 | 0 | 117.1 | | |
| 228 | S | 45.5 | Very low | 47.6 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | -163.8 | 156.3 | -27.8 | -95 | 0 | 0 | 0 | 0 | 108.6 | | |
| 229 | P | 47.4 | Very low | 47.3 | Very low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | | | trans | -83 | 152.1 | -176.7 | 33.5 | -35.6 | 0 | 0 | 0 | 114 | | |
| 230 | G | 46.7 | Very low | 46.8 | Very low | 82 Ų | 82 | 140.3 Ų | 140.3 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -147.8 | 125.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 231 | N | 42.5 | Very low | 47.8 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -125.7 | 115.6 | -166.3 | 175.7 | 90.4 | 0 | 0 | 0 | 111.6 | | |
| 232 | L | 58.1 | Low | 48.8 | Very low | 174 Ų | 174 | 135 Ų | 135 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | -140.8 | 121.4 | 171.3 | -77.5 | 179.5 | 0 | 0 | 0 | 112.7 | | |
| 233 | N | 43.1 | Very low | 49 | Very low | 145 Ų | 145 | 136.2 Ų | 136.2 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | -67.6 | 136.5 | 170.1 | -70.8 | -28.5 | 0 | 0 | 0 | 111.5 | | |
| 234 | K | 50.7 | Low | 49 | Very low | 214 Ų | 214 | 138.6 Ų | 138.6 | 93% | 0.93 | 80% | 0.803 | S | S | * | * | | | trans | -138.3 | 113.7 | 138.4 | -72.5 | -161.8 | 177.4 | -179.7 | 0 | 110.8 | | |
| 235 | N | 42.3 | Very low | 48.8 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | | | trans | -71.7 | 134 | 170.7 | 167.5 | 24.3 | 0 | 0 | 0 | 110.1 | | |
| 236 | I | 55 | Low | 48.8 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -165.9 | 150.2 | 139 | -102.6 | 153.3 | 0 | 0 | 0 | 111.4 | | |
| 237 | Q | 48.5 | Very low | 48.5 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -49.8 | 159.4 | 179 | -49.5 | 163.5 | 4.6 | 0 | 0 | 113.2 | | |
| 238 | A | 44.8 | Very low | 48.7 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 67% | 0.669 | 80% | 0.798 | S | S | * | * | | | cis | -162.2 | 150.9 | 28.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 239 | K | 43.8 | Very low | 48.7 | Very low | 210 Ų | 210 | 141.3 Ų | 141.3 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | | | trans | 49.7 | 102.5 | 144.3 | -63.7 | 175.7 | -178.9 | 179.4 | 0 | 120 | | |
| 240 | S | 41.9 | Very low | 48.6 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 152.2 | 145.8 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 241 | P | 66.1 | Low | 48.7 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 145.5 | 176.5 | -6.7 | 25.6 | 0 | 0 | 0 | 112.8 | | |
| 242 | P | 63.9 | Low | 48.7 | Very low | 108 Ų | 108 | 149.8 Ų | 149.8 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 159.3 | 171.9 | 34.9 | -35.2 | 0 | 0 | 0 | 112.5 | | |
| 243 | P | 52.9 | Low | 48.7 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 128.5 | 173.5 | 30.7 | -33.6 | 0 | 0 | 0 | 111.3 | | |
| 244 | M | 50.1 | Low | 48.6 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 82% | 0.823 | 78% | 0.781 | S | S | * | * | | | trans | -91.2 | 112 | 172.8 | -66.5 | -163.1 | -60.3 | 0 | 0 | 111.1 | L246 | M244-L246 HydrophobicContact CB-CD1 4.04Š|
| 245 | N | 41.4 | Very low | 48.3 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -89.2 | 109 | 166.9 | 178.7 | 12.1 | 0 | 0 | 0 | 109.3 | | |
| 246 | L | 47.1 | Very low | 48.6 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | | | trans | -106.6 | 90.2 | 169.8 | -91.4 | 75.1 | 0 | 0 | 0 | 110 | M244 | M244-L246 HydrophobicContact CB-CD1 4.04Š|
| 247 | G | 39.2 | Very low | 48.5 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | -85.8 | 109.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 248 | M | 51.4 | Low | 48.6 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | | | trans | -138.6 | 125.9 | 170.9 | -102 | 146.5 | 70.2 | 0 | 0 | 112.2 | | |
| 249 | N | 46.3 | Very low | 49 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -66.4 | 139.2 | -175.7 | -45.6 | -76.9 | 0 | 0 | 0 | 111.8 | | |
| 250 | N | 44.4 | Very low | 49.8 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 77% | 0.767 | S | S | * | * | | | | -179.4 | 148.4 | 109.6 | -101.9 | -68.1 | 0 | 0 | 0 | 115.1 | | |
| 251 | R | 49.3 | Very low | 50.5 | Low | 219 Ų | 219 | 142.4 Ų | 142.4 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | 58.6 | 109.2 | 143.9 | -65.3 | 159.3 | -158.2 | -160.9 | -2.4 | 119.2 | | |
| 252 | K | 42.7 | Very low | 49.4 | Very low | 194 Ų | 194 | 140.2 Ų | 140.2 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -56.4 | 145 | 155.7 | -58.4 | 173.1 | 176.6 | 180 | 0 | 111.1 | | |
| 253 | P | 57 | Low | 48.5 | Very low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -77.6 | 113.4 | 149 | 31.2 | -28.3 | 0 | 0 | 0 | 109.4 | L255 | P253-L255 PolarHBondContact O-N 3.39Š|
| 254 | D | 41.3 | Very low | 48.1 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | | | trans | -84.1 | 95.1 | 168.9 | 177.4 | 40.7 | 0 | 0 | 0 | 108.4 | R256 | D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 3.38Å; D254-R256 IonicContact OD2-CZ 3.48Å; D254-R256 IonicContact OD2-NE 2.81Å; D254-R256 PolarHBondContact OD2-NE 3.47Å; D254-R256 IonicContact OD2-NH2 3.24Å; D254-R256 PolarHBondContact OD2-NH2 2.91Å |
| 255 | L | 44.1 | Very low | 47.6 | Very low | 160 Ų | 160 | 144.6 Ų | 144.6 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | | | trans | -79.6 | 80.8 | -173.7 | -165.7 | 76.2 | 0 | 0 | 0 | 111.2 | P253 V257 | P253-L255 PolarHBondContact O-N 3.39Å; L255-V257 PolarHBondContact O-N 2.91Å |
| 256 | R | 49.3 | Very low | 47.7 | Very low | 198 Ų | 198 | 143.3 Ų | 143.3 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -69.4 | 113.7 | 175.1 | -61.1 | -176.9 | -169.8 | 174.1 | 4 | 110.6 | D254 L258 | D254-R256 VanDerWaalsContact C-N 3.34Å; D254-R256 PolarHBondContact O-N 3.38Å; D254-R256 IonicContact OD2-CZ 3.48Å; D254-R256 IonicContact OD2-NE 2.81Å; D254-R256 PolarHBondContact OD2-NE 3.47Å; D254-R256 IonicContact OD2-NH2 3.24Å; D254-R256 PolarHBondContact OD2-NH2 2.91Å; R256-L258 PolarHBondContact O-N 3.12Å |
| 257 | V | 53.9 | Low | 47.3 | Very low | 124 Ų | 124 | 145 Ų | 145 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | | | trans | -67.4 | 112.6 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 108.2 | L255 I259 | L255-V257 PolarHBondContact O-N 2.91Å; V257-I259 HydrophobicContact CG1-CG1 4.18Å; V257-I259 PolarHBondContact O-N 3.32Å |
| 258 | L | 50.4 | Low | 47.4 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -82.6 | 109.9 | 176 | -151.9 | 87.8 | 0 | 0 | 0 | 108.8 | R256 P260 | R256-L258 PolarHBondContact O-N 3.12Å; L258-P260 WeakPolarHBondContact O-CD 3.4Å |
| 259 | I | 53.2 | Low | 46.4 | Very low | 143 Ų | 143 | 143.9 Ų | 143.9 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 116.7 | 177.9 | -59.3 | 175.6 | 0 | 0 | 0 | 108.7 | V257 | V257-I259 HydrophobicContact CG1-CG1 4.18Å; V257-I259 PolarHBondContact O-N 3.32Å |
| 260 | P | 61 | Low | 46.1 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68 | 140.3 | 168.9 | -16.9 | 31.9 | 0 | 0 | 0 | 110.7 | L258 | L258-P260 WeakPolarHBondContact O-CD 3.4Š|
| 261 | P | 55.9 | Low | 45.9 | Very low | 129 Ų | 129 | 142.8 Ų | 142.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 141 | 176.3 | 29.5 | -34.4 | 0 | 0 | 0 | 111 | | |
| 262 | G | 42.8 | Very low | 46 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 148.4 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 263 | S | 45.5 | Very low | 46 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 134.1 | 159.5 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 264 | K | 43.9 | Very low | 45.7 | Very low | 202 Ų | 202 | 139.7 Ų | 139.7 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 138.1 | 179.6 | -56.1 | 166 | -174 | 172.9 | 0 | 109.2 | | |
| 265 | N | 38.7 | Very low | 45.6 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | | | trans | -165.5 | 164.7 | 147.2 | -101.5 | -9.6 | 0 | 0 | 0 | 110.5 | | |
| 266 | T | 44.4 | Very low | 45.7 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | | | trans | -119.6 | 168.4 | -159.1 | -42.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 267 | M | 39.6 | Very low | 45.5 | Very low | 167 Ų | 167 | 140.4 Ų | 140.4 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | | | trans | 102.9 | 149.3 | 167.4 | -57.3 | -54.3 | -78.9 | 0 | 0 | 116 | | |
| 268 | P | 39.4 | Very low | 44.9 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 68% | 0.682 | 82% | 0.817 | S | S | * | * | | | trans | -127.7 | 167.4 | -131.7 | 44.2 | -33.6 | 0 | 0 | 0 | 117.2 | | |
| 269 | S | 31.8 | Very low | 44.2 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | | | trans | 35.1 | 108 | 139.3 | -171.3 | 0 | 0 | 0 | 0 | 119.8 | | |
| 270 | V | 40.5 | Very low | 43.5 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | | | trans | -127.5 | 148.1 | 131.8 | -70.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 271 | S | 38.4 | Very low | 42.3 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | | | trans | -152.8 | 125 | 168.9 | -68 | 0 | 0 | 0 | 0 | 106.1 | | |
| 272 | E | 51.5 | Low | 41.8 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 86% | 0.86 | 83% | 0.833 | S | S | * | * | | | trans | -95.7 | 138.9 | -169.8 | -63.9 | 176 | 113.5 | 0 | 0 | 110.6 | | |
| 273 | D | 44.3 | Very low | 41.8 | Very low | 164 Ų | 164 | 154.9 Ų | 154.9 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | trans | -69 | 133 | 173.2 | -64 | -84.1 | 0 | 0 | 0 | 111 | | |
| 274 | V | 50 | Low | 41.6 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 76% | 0.758 | 82% | 0.824 | S | S | * | * | | | trans | -138.1 | 121.9 | 166.9 | -96.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 275 | D | 39.6 | Very low | 41.2 | Very low | 147 Ų | 147 | 151 Ų | 151 | 79% | 0.786 | 81% | 0.814 | S | S | * | * | | | trans | 61.5 | 62.1 | 150.6 | -57.6 | -46.8 | 0 | 0 | 0 | 120.5 | L277 | D275-L277 PolarHBondContact O-N 3.14Š|
| 276 | L | 45.6 | Very low | 41.4 | Very low | 181 Ų | 181 | 151.7 Ų | 151.7 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -89.4 | 60 | 147.7 | -82.9 | 175.5 | 0 | 0 | 0 | 112.1 | | |
| 277 | L | 45.9 | Very low | 41.3 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | trans | -146 | 54.2 | 178.9 | -155.3 | 78.1 | 0 | 0 | 0 | 117.1 | D275 | D275-L277 PolarHBondContact O-N 3.14Š|
| 278 | L | 40.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -145 | 56.7 | 162 | -156.6 | 72.1 | 0 | 0 | 0 | 114.9 | | |
| 279 | N | 36.4 | Very low | 41.6 | Very low | 162 Ų | 162 | 150.8 Ų | 150.8 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -153.9 | 32.6 | 166.5 | -132.4 | -15 | 0 | 0 | 0 | 116.7 | | |
| 280 | Q | 37.9 | Very low | 42 | Very low | 179 Ų | 179 | 151.1 Ų | 151.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | | | trans | -157.9 | 83.2 | 168.4 | -141.4 | 177.9 | 109 | 0 | 0 | 117.1 | | |
| 281 | R | 36 | Very low | 42.1 | Very low | 243 Ų | 243 | 153.4 Ų | 153.4 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | | | | -166.6 | 127.1 | 127.9 | -118.5 | 157.6 | -75.3 | -157 | -0.8 | 113.1 | | |
| 282 | I | 46.2 | Very low | 42.6 | Very low | 164 Ų | 164 | 152.6 Ų | 152.6 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | | | trans | -103.7 | 141.7 | 165.3 | -70.8 | 169.4 | 0 | 0 | 0 | 107.2 | | |
| 283 | N | 42.6 | Very low | 42 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 68% | 0.679 | 82% | 0.823 | S | S | * | * | | | trans | 60.6 | 103.5 | 163.1 | -172.4 | 52.8 | 0 | 0 | 0 | 118.6 | | |
| 284 | N | 40.5 | Very low | 42.5 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | | -164.5 | 141.7 | 108.6 | -113.8 | -2.8 | 0 | 0 | 0 | 111.7 | | |
| 285 | S | 36.5 | Very low | 42.4 | Very low | 96 Ų | 96 | 148.5 Ų | 148.5 | 67% | 0.671 | 82% | 0.82 | S | S | * | * | | | trans | -95.2 | 135.8 | 179.9 | -53.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 286 | Q | 42.2 | Very low | 43 | Very low | 185 Ų | 185 | 147.9 Ų | 147.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | | | | -178 | 142.8 | 124.9 | -101.5 | 155.8 | 103.4 | 0 | 0 | 115.3 | | |
| 287 | S | 41.7 | Very low | 43.4 | Very low | 113 Ų | 113 | 144.4 Ų | 144.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | 56.9 | 124.3 | 147 | 64.8 | 0 | 0 | 0 | 0 | 122.6 | | |
| 288 | A | 41.6 | Very low | 43.6 | Very low | 84 Ų | 84 | 144 Ų | 144 | 69% | 0.694 | 82% | 0.815 | S | S | * | * | | | | 102.4 | 101.9 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 289 | Q | 45 | Very low | 44.3 | Very low | 183 Ų | 183 | 140.4 Ų | 140.4 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | | | | 89.9 | 117.2 | 123.8 | -69.7 | -178.4 | 10.7 | 0 | 0 | 122.1 | | |
| 290 | S | 40.2 | Very low | 44.7 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | 85.7 | 112.5 | 135.2 | -59 | 0 | 0 | 0 | 0 | 119.9 | | |
| 291 | L | 41.9 | Very low | 45.2 | Very low | 182 Ų | 182 | 135.9 Ų | 135.9 | 95% | 0.953 | 80% | 0.803 | S | S | * | * | | | trans | -80.1 | 137.4 | 165.2 | -64.8 | 164.2 | 0 | 0 | 0 | 110.5 | | |
| 292 | A | 48.2 | Very low | 45.7 | Very low | 99 Ų | 99 | 129.9 Ų | 129.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | -148.5 | 126.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 293 | T | 40 | Very low | 45.9 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 132.9 | -177.7 | 43.9 | 0 | 0 | 0 | 0 | 112 | | |
| 294 | P | 54.4 | Low | 46 | Very low | 117 Ų | 117 | 130 Ų | 130 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 122.4 | 158.5 | 32.8 | -26.6 | 0 | 0 | 0 | 110.5 | | |
| 295 | V | 47.4 | Very low | 46.4 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 140.3 | 165.5 | 170.4 | 0 | 0 | 0 | 0 | 109 | | |
| 296 | V | 52.1 | Low | 46.7 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | trans | -123.8 | 128.5 | 168 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 297 | S | 54.4 | Low | 46.8 | Very low | 107 Ų | 107 | 126.8 Ų | 126.8 | 75% | 0.748 | 81% | 0.812 | S | S | * | * | | | trans | -76.9 | 145.2 | -173.7 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 298 | V | 49.6 | Very low | 46.9 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -72.6 | 140.9 | 164.7 | -71.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 299 | A | 56.2 | Low | 46.9 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | | | trans | -143.9 | 121 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 300 | T | 44.3 | Very low | 46.5 | Very low | 132 Ų | 132 | 124.6 Ų | 124.6 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | -128.3 | 129.5 | 178.9 | -46.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 301 | P | 48.8 | Very low | 46.7 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | trans | -139.5 | 111.2 | 144.4 | 30.8 | -13.4 | 0 | 0 | 0 | 113.5 | | |
| 302 | T | 45.3 | Very low | 46.7 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | | | trans | 34.9 | 139.8 | 131.7 | 56.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 303 | L | 50.6 | Low | 46.4 | Very low | 165 Ų | 165 | 128.6 Ų | 128.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | 93.4 | 133.1 | 153.5 | -100.4 | 70.9 | 0 | 0 | 0 | 118.8 | | |
| 304 | P | 45.7 | Very low | 46.4 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -100 | 158.2 | -176 | 39.3 | -34.8 | 0 | 0 | 0 | 114 | | |
| 305 | G | 47.5 | Very low | 46.2 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | -139.4 | 141.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 306 | Q | 44.1 | Very low | 45.4 | Very low | 209 Ų | 209 | 128.3 Ų | 128.3 | 98% | 0.977 | 82% | 0.82 | S | S | * | * | | | trans | -87.2 | 139.1 | 178.9 | -63.9 | 175.4 | -60.2 | 0 | 0 | 111.1 | | |
| 307 | G | 43.6 | Very low | 44.8 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | | | trans | -169.8 | 140.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 308 | M | 44.9 | Very low | 43.7 | Very low | 193 Ų | 193 | 129 Ų | 129 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | trans | -119.4 | 141.8 | -175.8 | -78.3 | -99.4 | 83.8 | 0 | 0 | 112.1 | | |
| 309 | G | 40.1 | Very low | 43.3 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | | | trans | 115 | 120.8 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 310 | G | 36.9 | Very low | 42.5 | Very low | 67 Ų | 67 | 131.7 Ų | 131.7 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | | | trans | 75.5 | 150.1 | 160.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 311 | Y | 43.9 | Very low | 42.1 | Very low | 226 Ų | 226 | 131.4 Ų | 131.4 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | | | cis | -147 | 154.7 | -3.9 | -76.6 | -98.7 | 0 | 0 | 0 | 109.3 | | |
| 312 | P | 43.3 | Very low | 41.7 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | | | trans | -90.9 | 159.9 | 170.8 | 37.7 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 313 | S | 41.8 | Very low | 41.3 | Very low | 131 Ų | 131 | 137 Ų | 137 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | | | trans | -150.9 | 137.6 | 163.4 | -77.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 314 | A | 40.4 | Very low | 40.9 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | -125 | 149.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 315 | I | 48.5 | Very low | 40.6 | Very low | 171 Ų | 171 | 137.3 Ų | 137.3 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | | | trans | -129.8 | 135.1 | 173.3 | 47.1 | 173.9 | 0 | 0 | 0 | 108.8 | | |
| 316 | S | 31.5 | Very low | 40 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -110.3 | 143.6 | -178.7 | -55 | 0 | 0 | 0 | 0 | 110.4 | | |
| 317 | T | 38.6 | Very low | 39.7 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -127.6 | 130.2 | 171.5 | -58.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 318 | T | 33 | Very low | 39.9 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 76% | 0.761 | 80% | 0.804 | S | S | * | * | | | trans | -125.4 | 123.6 | -173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 319 | Y | 40 | Very low | 39.9 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -150.4 | 140.3 | 160.3 | -77 | -87.7 | 0 | 0 | 0 | 106.2 | | |
| 320 | G | 38.8 | Very low | 40.1 | Very low | 71 Ų | 71 | 137.5 Ų | 137.5 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | cis | -162.6 | -170.8 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 321 | T | 37.5 | Very low | 40.4 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | -64.6 | 168.1 | 173.2 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 322 | E | 39.7 | Very low | 40.5 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 62% | 0.621 | 80% | 0.798 | S | S | * | * | | | cis | -140.2 | 171 | 2.3 | 32 | -106.6 | 85 | 0 | 0 | 108.4 | | |
| 323 | Y | 37.7 | Very low | 40.4 | Very low | 216 Ų | 216 | 135.9 Ų | 135.9 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | | | | -159.4 | 154.6 | 63.7 | -63.3 | -85.3 | 0 | 0 | 0 | 111.6 | | |
| 324 | S | 41.9 | Very low | 40.3 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | | | trans | -78.6 | 147.9 | -171.3 | -58.9 | 0 | 0 | 0 | 0 | 115.4 | | |
| 325 | L | 39.4 | Very low | 40.2 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | | | trans | -67.6 | 151.2 | 170.6 | -62.6 | 169.7 | 0 | 0 | 0 | 112.2 | | |
| 326 | S | 35.2 | Very low | 39.5 | Very low | 123 Ų | 123 | 134.8 Ų | 134.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -121.3 | 114.3 | 156.8 | -172.7 | 0 | 0 | 0 | 0 | 109 | | |
| 327 | S | 37.7 | Very low | 39.6 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -100 | 113.4 | -176.1 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 328 | A | 47 | Very low | 39.5 | Very low | 60 Ų | 60 | 137.6 Ų | 137.6 | 50% | 0.496 | 80% | 0.796 | S | S | . | * | | | trans | -137.1 | -57.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L330 S331 | A328-L330 PolarHBondContact O-N 3.14Å; A328-S331 PolarHBondContact O-OG 3.37Å |
| 329 | D | 45 | Very low | 39.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | G | 310 helix | trans | -84.4 | 5.8 | -158.2 | -56.9 | -65.1 | 0 | 0 | 0 | 116.9 | S331 | D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.26Å |
| 330 | L | 44.4 | Very low | 39.5 | Very low | 181 Ų | 181 | 131.3 Ų | 131.3 | 95% | 0.948 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -88.8 | 10.8 | 176.9 | -63.8 | -178 | 0 | 0 | 0 | 114.1 | A328 | A328-L330 PolarHBondContact O-N 3.14Š|
| 331 | S | 42.5 | Very low | 39.5 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | G | 310 helix | trans | -90.2 | -4.2 | -176.2 | -55 | 0 | 0 | 0 | 0 | 114.5 | A328 D329 | A328-S331 PolarHBondContact O-OG 3.37Å; D329-S331 VanDerWaalsContact C-N 3.3Å; D329-S331 PolarHBondContact O-N 3.26Å |
| 332 | S | 47.6 | Very low | 39.5 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -120.3 | 79.4 | -173.5 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 333 | L | 40.6 | Very low | 39.4 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -177.2 | 68.4 | 147.6 | -100.9 | 163.8 | 0 | 0 | 0 | 110.1 | | |
| 334 | S | 39.1 | Very low | 39.3 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -114 | 135.5 | 169.2 | 56.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 335 | G | 37.8 | Very low | 39.3 | Very low | 56 Ų | 56 | 131.2 Ų | 131.2 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | | | trans | 100 | 137 | -163.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 336 | F | 35.5 | Very low | 39.2 | Very low | 202 Ų | 202 | 128.2 Ų | 128.2 | 89% | 0.886 | 80% | 0.801 | S | S | * | * | | | cis | -116.5 | 132.2 | 17.5 | -67.1 | -100.2 | 0 | 0 | 0 | 112.6 | | |
| 337 | N | 32.5 | Very low | 39.7 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | | | trans | -158.5 | 87.8 | 165.8 | -102.5 | -40.1 | 0 | 0 | 0 | 109.3 | | |
| 338 | T | 37.6 | Very low | 40.2 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -145.6 | 115.4 | 176.1 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 339 | A | 35.6 | Very low | 39.9 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | trans | -93.9 | 142.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 340 | S | 36.8 | Very low | 40 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | | | trans | 177.4 | 165.7 | 150.5 | -87.1 | 0 | 0 | 0 | 0 | 113 | | |
| 341 | A | 39.5 | Very low | 39.9 | Very low | 91 Ų | 91 | 132 Ų | 132 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | 68.9 | 84.2 | 158 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 342 | L | 35.8 | Very low | 40 | Very low | 173 Ų | 173 | 133 Ų | 133 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | | 26.7 | 126.8 | 116.4 | -53 | 171.6 | 0 | 0 | 0 | 119.9 | | |
| 343 | H | 38 | Very low | 39.7 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 79% | 0.79 | S | S | * | * | | | | -165.6 | 166.6 | 113.4 | -161.4 | -102.3 | 0 | 0 | 0 | 112.5 | | |
| 344 | L | 35.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -85.9 | 156 | 177.9 | -79.2 | 63.9 | 0 | 0 | 0 | 113.4 | | |
| 345 | G | 42.2 | Very low | 39.8 | Very low | 81 Ų | 81 | 133.8 Ų | 133.8 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | | | trans | -166 | 144.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 346 | S | 38.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -154 | 170 | -173 | -170.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 347 | V | 45.6 | Very low | 40.2 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 64.9 | 150.6 | 178.4 | -39.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 348 | T | 46.7 | Very low | 40.8 | Very low | 135 Ų | 135 | 134.5 Ų | 134.5 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | cis | -132.1 | 179.6 | -4 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 349 | G | 41.1 | Very low | 41.1 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | | | cis | 135.4 | 87.6 | -9.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 350 | W | 48.2 | Very low | 41.8 | Very low | 229 Ų | 229 | 134.1 Ų | 134.1 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | | | trans | -127.5 | 119.6 | 167.2 | -69.8 | 86 | 0 | 0 | 0 | 108.1 | | |
| 351 | Q | 41.8 | Very low | 42.3 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | | 83.3 | 121.5 | 61.1 | -158.2 | 177.1 | 17.4 | 0 | 0 | 112 | | |
| 352 | Q | 43.7 | Very low | 42.3 | Very low | 129 Ų | 129 | 134 Ų | 134 | 60% | 0.603 | 75% | 0.752 | S | S | * | * | | | cis | -171.8 | 145.8 | -3.1 | 161.9 | 177 | -23.5 | 0 | 0 | 113.5 | | |
| 353 | Q | 42.7 | Very low | 42.5 | Very low | 137 Ų | 137 | 133.5 Ų | 133.5 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | | | trans | 62.3 | 149.3 | 162.9 | -73.2 | 170.1 | -44.4 | 0 | 0 | 118.3 | | |
| 354 | H | 40.8 | Very low | 42.4 | Very low | 137 Ų | 137 | 130 Ų | 130 | 63% | 0.634 | 75% | 0.745 | S | S | * | * | | | cis | -159 | -177.2 | -6.1 | -117.7 | -27.2 | 0 | 0 | 0 | 108.2 | | |
| 355 | L | 41.2 | Very low | 42.7 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | cis | -139.7 | -117.8 | 7.8 | -158.6 | 118.2 | 0 | 0 | 0 | 111.4 | | |
| 356 | H | 42.5 | Very low | 42.7 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 68% | 0.676 | 75% | 0.751 | S | S | * | * | | | trans | -148.3 | 169.6 | 179.5 | -54.4 | 91.3 | 0 | 0 | 0 | 107.1 | | |
| 357 | N | 38.2 | Very low | 42.9 | Very low | 135 Ų | 135 | 134 Ų | 134 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | | | cis | -160.9 | -173.7 | 21.4 | -118.5 | -19.6 | 0 | 0 | 0 | 107.4 | | |
| 358 | M | 44.6 | Very low | 42.5 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | | | cis | -157.6 | 177.9 | 0.6 | -112 | -112.2 | 166 | 0 | 0 | 109 | | |
| 359 | P | 45.3 | Very low | 42.2 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 69% | 0.688 | 75% | 0.746 | S | S | * | * | | | trans | -110.3 | 177.4 | -162.2 | 41.9 | -34.8 | 0 | 0 | 0 | 117.6 | | |
| 360 | P | 49.9 | Very low | 42.3 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -107.3 | 173.3 | -173.7 | 41.3 | -35.3 | 0 | 0 | 0 | 116.2 | | |
| 361 | S | 46.5 | Very low | 41.9 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | | | trans | -154.1 | 173.1 | 171.8 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 362 | A | 39.4 | Very low | 41.8 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | | | | 177.1 | 80.3 | -61.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 363 | L | 40 | Very low | 41.7 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | | | trans | -157.3 | 142.8 | 172.8 | -136.4 | 69 | 0 | 0 | 0 | 110.3 | | |
| 364 | S | 37.1 | Very low | 41.5 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | cis | 105.3 | 83.3 | 3.6 | -54.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 365 | Q | 42.1 | Very low | 41.3 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | -167.3 | 140.7 | 154 | -105.3 | 163.7 | -16.7 | 0 | 0 | 108.1 | | |
| 366 | L | 41.9 | Very low | 41.3 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | | | cis | 111.4 | 137.9 | 14.9 | -80.7 | 169.2 | 0 | 0 | 0 | 114 | | |
| 367 | G | 41.4 | Very low | 41.2 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | | | trans | 108.7 | 107.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 368 | A | 38.5 | Very low | 41.2 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | cis | 85.8 | 88.6 | 1.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 369 | C | 39.6 | Very low | 41 | Very low | 112 Ų | 112 | 127 Ų | 127 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | | | trans | -169.5 | 116.8 | 158.2 | 52.5 | 0 | 0 | 0 | 0 | 109 | | |
| 370 | T | 42.4 | Very low | 40.5 | Very low | 136 Ų | 136 | 129.6 Ų | 129.6 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | | | | 62.8 | 137.3 | 83.2 | 62.9 | 0 | 0 | 0 | 0 | 115 | | |
| 371 | S | 39.9 | Very low | 40 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | | | cis | -161.6 | 165 | 0.5 | -152.2 | 0 | 0 | 0 | 0 | 114 | | |
| 372 | T | 39.1 | Very low | 39.9 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | | | trans | 2.9 | 150.5 | 146.6 | 59.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 373 | H | 41.7 | Very low | 40 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | | -173.6 | 151.1 | 53.4 | 65.8 | -77.3 | 0 | 0 | 0 | 115.6 | | |
| 374 | L | 38.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | | | trans | 52.7 | 152.4 | 156.9 | -79.1 | 77.7 | 0 | 0 | 0 | 119.4 | | |
| 375 | S | 38.7 | Very low | 40.3 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | cis | -147.9 | 165 | 19.2 | -44.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 376 | Q | 39.6 | Very low | 40.5 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | | | trans | 79.2 | 126.2 | 154.8 | -67.5 | 179.1 | 10.3 | 0 | 0 | 122.1 | | |
| 377 | S | 40.7 | Very low | 40.6 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 64.6 | 98.1 | 157.6 | 37 | 0 | 0 | 0 | 0 | 121.3 | | |
| 378 | S | 39.4 | Very low | 41.3 | Very low | 111 Ų | 111 | 131.6 Ų | 131.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | | | trans | 69.5 | 70 | 130.7 | -49.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 379 | N | 38.9 | Very low | 41.9 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | | | trans | -161 | 144 | 155.2 | -116.1 | -80.1 | 0 | 0 | 0 | 112.6 | | |
| 380 | L | 35.9 | Very low | 42.9 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | | | trans | 165.9 | 146 | 162.9 | -93.1 | 158.1 | 0 | 0 | 0 | 106.9 | | |
| 381 | S | 38.5 | Very low | 43.5 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | cis | -135.4 | 154.7 | 18.7 | 48.6 | 0 | 0 | 0 | 0 | 115.8 | | |
| 382 | L | 43.8 | Very low | 44.5 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -77 | -172.1 | 179.1 | -95 | 65.4 | 0 | 0 | 0 | 113.3 | | |
| 383 | P | 43.2 | Very low | 45.7 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | -124.7 | 167.8 | 0.8 | 18.5 | 8.3 | 0 | 0 | 0 | 114.3 | | |
| 384 | S | 44.1 | Very low | 46.7 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 79% | 0.789 | S | S | * | * | | | | 68.4 | 138.7 | 53.5 | -137.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 385 | T | 39.6 | Very low | 48.2 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | cis | -145.2 | 152.5 | 21.4 | 51.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 386 | Q | 46.1 | Very low | 49.2 | Very low | 201 Ų | 201 | 139 Ų | 139 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | | | trans | -165.9 | 138.7 | 133.1 | -118.6 | 174.2 | 85.1 | 0 | 0 | 111.6 | | |
| 387 | S | 43.5 | Very low | 50.7 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -104.2 | 115.3 | -169.2 | 54.7 | 0 | 0 | 0 | 0 | 113 | | |
| 388 | L | 55.4 | Low | 51.8 | Low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -91.1 | 109.8 | 172.5 | -77.4 | 167.1 | 0 | 0 | 0 | 111.1 | I390 | L388-I390 HydrophobicContact CB-CG1 4.29Å; L388-I390 PolarHBondContact O-N 2.94Å |
| 389 | N | 52 | Low | 52.8 | Low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -86.9 | 85.5 | 170.4 | -176 | -1.5 | 0 | 0 | 0 | 109.8 | K391 | N389-K391 PolarHBondContact O-N 3.41Š|
| 390 | I | 59.4 | Low | 53.5 | Low | 140 Ų | 140 | 141.6 Ų | 141.6 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | | | trans | -85.9 | 101.6 | 176.8 | -59.6 | 174.4 | 0 | 0 | 0 | 108.6 | L388 S392 | L388-I390 HydrophobicContact CB-CG1 4.29Å; L388-I390 PolarHBondContact O-N 2.94Å; I390-S392 PolarHBondContact O-N 3.11Å |
| 391 | K | 56.3 | Low | 53.8 | Low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | | | trans | -70.9 | 108.3 | 175.9 | -176.8 | 178.6 | 179.1 | -178.9 | 0 | 109.9 | N389 | N389-K391 PolarHBondContact O-N 3.41Š|
| 392 | S | 61.2 | Low | 54.3 | Low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62 | 142.5 | 176.9 | 56.2 | 0 | 0 | 0 | 0 | 112.4 | I390 | I390-S392 PolarHBondContact O-N 3.11Š|
| 393 | E | 64.2 | Low | 54.3 | Low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 154.9 | 169.7 | -85.9 | -168.9 | 103.7 | 0 | 0 | 112.6 | | |
| 394 | P | 62.1 | Low | 54.3 | Low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 133.6 | 173.6 | 30.7 | -33.9 | 0 | 0 | 0 | 111.1 | | |
| 395 | V | 68.8 | Low | 54.1 | Low | 140 Ų | 140 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 134 | 177.2 | 63.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 396 | S | 60.5 | Low | 54.1 | Low | 102 Ų | 102 | 145.9 Ų | 145.9 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.2 | 172.6 | -66 | 0 | 0 | 0 | 0 | 111.1 | | |
| 397 | P | 70.4 | Confident | 53.7 | Low | 117 Ų | 117 | 148.1 Ų | 148.1 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 139.5 | 178.1 | -23.4 | 33.8 | 0 | 0 | 0 | 112.8 | | |
| 398 | P | 65.6 | Low | 53.5 | Low | 112 Ų | 112 | 152 Ų | 152 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.4 | 173.6 | 29.2 | -34.1 | 0 | 0 | 0 | 111 | | |
| 399 | R | 60.4 | Low | 52.9 | Low | 248 Ų | 248 | 149.6 Ų | 149.6 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | | | trans | -97.2 | 94.3 | 167 | -101.4 | -176.9 | 167.8 | 164.1 | -3.1 | 109.1 | | |
| 400 | D | 51.9 | Low | 52.4 | Low | 141 Ų | 141 | 149.7 Ų | 149.7 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 141.2 | 168.6 | -80.1 | -61.4 | 0 | 0 | 0 | 111.4 | | |
| 401 | R | 42.8 | Very low | 51.6 | Low | 244 Ų | 244 | 150.4 Ų | 150.4 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | | | trans | -133.4 | 59.3 | -173.2 | -162.3 | -173.6 | -172.1 | -156.3 | 2.5 | 110.6 | | |
| 402 | T | 49.2 | Very low | 51 | Low | 126 Ų | 126 | 146.7 Ų | 146.7 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -102.4 | 115.9 | -173.4 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 403 | T | 42.8 | Very low | 49.9 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | -21 | 140.8 | 162.8 | -47.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 404 | T | 43.1 | Very low | 49 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -69.5 | 163.7 | 173 | 43.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 405 | P | 41.7 | Very low | 48 | Very low | 122 Ų | 122 | 153.2 Ų | 153.2 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | | | | -145.8 | 140 | 111.1 | 35.7 | -20.6 | 0 | 0 | 0 | 117.1 | | |
| 406 | S | 38.1 | Very low | 46.8 | Very low | 95 Ų | 95 | 151.1 Ų | 151.1 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | | | trans | 43.7 | 115.6 | 141.3 | -162.9 | 0 | 0 | 0 | 0 | 122.3 | | |
| 407 | R | 38.8 | Very low | 45.9 | Very low | 248 Ų | 248 | 149.5 Ų | 149.5 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | | | | -150.7 | 136.1 | 118.9 | -143 | 172.9 | -172.8 | -179.7 | 1.9 | 112.4 | | |
| 408 | Y | 38.6 | Very low | 44.7 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -94.2 | -178.3 | 179.6 | -78.9 | -82.1 | 0 | 0 | 0 | 110.7 | | |
| 409 | P | 43.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 155 Ų | 155 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | cis | -151.4 | 176 | 20.3 | 47.2 | -27.1 | 0 | 0 | 0 | 121.1 | | |
| 410 | Q | 41 | Very low | 43.2 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | trans | 68.1 | 140.8 | 161.3 | -45 | -146.6 | 7.2 | 0 | 0 | 117.5 | | |
| 411 | H | 42.5 | Very low | 42.8 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | cis | -141 | 153.8 | 34.7 | -92.9 | -98.6 | 0 | 0 | 0 | 115.6 | | |
| 412 | T | 43.2 | Very low | 43 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | | | trans | 15.1 | 143.9 | 147.9 | 60.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 413 | R | 38.5 | Very low | 42.8 | Very low | 212 Ų | 212 | 141.6 Ų | 141.6 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | cis | -166.8 | 144.6 | 20.3 | -147.9 | 175.4 | 174.8 | -175.1 | -1.1 | 111.3 | | |
| 414 | H | 44.4 | Very low | 42.9 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | | | trans | 40.8 | 146.2 | 144.8 | -72.4 | -125.6 | 0 | 0 | 0 | 121.5 | | |
| 415 | E | 41.9 | Very low | 42.8 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | | | cis | -154.3 | -165.7 | 2.9 | -138.7 | 170.9 | 108.5 | 0 | 0 | 113.1 | | |
| 416 | A | 44.4 | Very low | 42.6 | Very low | 97 Ų | 97 | 141.4 Ų | 141.4 | 80% | 0.802 | 76% | 0.758 | S | S | * | * | | | trans | -61 | 166.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 417 | G | 41 | Very low | 42.7 | Very low | 68 Ų | 68 | 143.5 Ų | 143.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | | | cis | 149.7 | 167.3 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 418 | R | 45.7 | Very low | 42.6 | Very low | 240 Ų | 240 | 137 Ų | 137 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | 80.2 | 107.7 | 175.7 | -58.1 | 178.3 | 179 | -100.9 | -0.1 | 118.6 | | |
| 419 | S | 45.8 | Very low | 42.7 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | | 37.9 | 152.4 | 121.5 | 64.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 420 | P | 48.3 | Very low | 42.5 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | cis | -144.7 | -158.7 | 34.1 | 43 | -21.3 | 0 | 0 | 0 | 117 | | |
| 421 | V | 44.3 | Very low | 43 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | | | trans | -92.4 | 144.7 | -174.7 | 49 | 0 | 0 | 0 | 0 | 113 | | |
| 422 | D | 45.2 | Very low | 43.1 | Very low | 146 Ų | 146 | 135.3 Ų | 135.3 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -164.5 | 153.4 | 161 | -99.8 | -51.1 | 0 | 0 | 0 | 108.1 | | |
| 423 | S | 45.5 | Very low | 42.9 | Very low | 78 Ų | 78 | 132.5 Ų | 132.5 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | | | cis | -154.9 | 144.9 | -19 | -119.7 | 0 | 0 | 0 | 0 | 106.6 | | |
| 424 | L | 44.7 | Very low | 43.3 | Very low | 153 Ų | 153 | 128.2 Ų | 128.2 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | | 47.9 | 144.5 | 92.3 | -52.9 | -179.7 | 0 | 0 | 0 | 115.3 | | |
| 425 | S | 41.4 | Very low | 43.2 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -169.8 | 170.2 | -21.7 | -104 | 0 | 0 | 0 | 0 | 108.9 | | |
| 426 | S | 37.6 | Very low | 43.6 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -72.2 | 143.8 | 172.3 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 427 | C | 39.8 | Very low | 43.6 | Very low | 138 Ų | 138 | 132.9 Ų | 132.9 | 93% | 0.932 | 77% | 0.772 | S | S | * | * | | | trans | -161.3 | 171.5 | 143.9 | -125.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 428 | S | 38.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -128.8 | -167 | -177 | -170.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 429 | S | 40.1 | Very low | 43.9 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | 79.9 | 109.3 | 167.5 | 71.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 430 | S | 39.3 | Very low | 43.7 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | | 38 | 132.5 | 128.4 | 60.9 | 0 | 0 | 0 | 0 | 122.4 | | |
| 431 | Y | 50.8 | Low | 43.5 | Very low | 231 Ų | 231 | 140.6 Ų | 140.6 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | | | trans | -138.8 | 163.8 | 132.3 | -165.4 | -105.8 | 0 | 0 | 0 | 110.8 | | |
| 432 | D | 45 | Very low | 43.3 | Very low | 138 Ų | 138 | 141.7 Ų | 141.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | -100.3 | 175.2 | -172.5 | -165.5 | 15.5 | 0 | 0 | 0 | 112.3 | | |
| 433 | G | 39.3 | Very low | 43.3 | Very low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | | | trans | -93.2 | 155.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 434 | S | 46.9 | Very low | 43.1 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | | | trans | -164.8 | 151.7 | 155.2 | -150.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 435 | D | 43 | Very low | 42.8 | Very low | 143 Ų | 143 | 144.7 Ų | 144.7 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -72.4 | 156.7 | -174.9 | -56.1 | -98.6 | 0 | 0 | 0 | 115 | | |
| 436 | R | 50.3 | Low | 43.2 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | | -175.9 | 121.8 | 112.5 | -100.7 | -179 | 171 | 114.6 | 2.9 | 116.1 | | |
| 437 | E | 43.7 | Very low | 43.5 | Very low | 158 Ų | 158 | 147 Ų | 147 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | 38.2 | 120 | 130.5 | -59.7 | 172.9 | 102.8 | 0 | 0 | 121.1 | | |
| 438 | D | 44.4 | Very low | 43.7 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | 34.3 | 142.2 | 142.3 | -80.8 | -95.9 | 0 | 0 | 0 | 124.2 | | |
| 439 | H | 49 | Very low | 44 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | | | | -165.6 | 148.9 | 106 | -101.4 | 69.9 | 0 | 0 | 0 | 112.3 | | |
| 440 | R | 40 | Very low | 44 | Very low | 207 Ų | 207 | 147 Ų | 147 | 78% | 0.781 | 77% | 0.773 | S | S | * | * | | | trans | -73.4 | 157.8 | -175.4 | -68.7 | 174.3 | 167 | -179.5 | -5.8 | 114.8 | | |
| 441 | N | 45.3 | Very low | 44.1 | Very low | 162 Ų | 162 | 152.7 Ų | 152.7 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | | | | -157.2 | 152.3 | 121.4 | -107.6 | -27.2 | 0 | 0 | 0 | 112.7 | | |
| 442 | E | 39.1 | Very low | 43.6 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | | | trans | -91.9 | 175.8 | -176 | -64.8 | 164.5 | 84 | 0 | 0 | 112.6 | | |
| 443 | F | 45 | Very low | 43.1 | Very low | 176 Ų | 176 | 146 Ų | 146 | 77% | 0.772 | 77% | 0.772 | S | S | * | * | | | | 175.2 | 113.2 | 116.3 | -106.9 | -93.8 | 0 | 0 | 0 | 113.5 | | |
| 444 | H | 41.4 | Very low | 43.8 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | 56.9 | 102.2 | 146.7 | -71.6 | -123.9 | 0 | 0 | 0 | 123.3 | | |
| 445 | S | 38.8 | Very low | 43.6 | Very low | 110 Ų | 110 | 149.4 Ų | 149.4 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | | 38 | 162.7 | 96.4 | -51.9 | 0 | 0 | 0 | 0 | 122.6 | | |
| 446 | P | 49.8 | Very low | 43.7 | Very low | 105 Ų | 105 | 148.8 Ų | 148.8 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | | | cis | -149.4 | -177.3 | -41.8 | 43.5 | -25.2 | 0 | 0 | 0 | 117.1 | | |
| 447 | I | 45.3 | Very low | 43.4 | Very low | 162 Ų | 162 | 148 Ų | 148 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | | | trans | 77.4 | 141.3 | 144.4 | -80.2 | 160.8 | 0 | 0 | 0 | 124 | | |
| 448 | G | 42.2 | Very low | 43.5 | Very low | 62 Ų | 62 | 149 Ų | 149 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | | | trans | 127.5 | 107.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 449 | L | 44.5 | Very low | 43.2 | Very low | 158 Ų | 158 | 147.9 Ų | 147.9 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | | 64.4 | 128.5 | 52.9 | -55.1 | 172.4 | 0 | 0 | 0 | 112.8 | | |
| 450 | T | 41.9 | Very low | 43 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 81% | 0.81 | 76% | 0.764 | S | S | * | * | | | cis | -160.1 | 176.8 | 13.4 | -6.3 | 0 | 0 | 0 | 0 | 114.7 | | |
| 451 | R | 40.2 | Very low | 43.1 | Very low | 230 Ų | 230 | 139.6 Ų | 139.6 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | trans | -47 | 176.6 | 166.8 | -108.9 | -177.2 | 140.5 | -159.6 | -5.3 | 116.1 | | |
| 452 | P | 40.7 | Very low | 43.2 | Very low | 120 Ų | 120 | 137.6 Ų | 137.6 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | cis | -140 | -158.2 | 16.7 | 40.3 | -17.2 | 0 | 0 | 0 | 117.4 | | |
| 453 | S | 35.4 | Very low | 43.7 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | | | trans | -152.4 | 168 | -179.8 | -179.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 454 | P | 52.1 | Low | 43.8 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | | | cis | -124.2 | -172.8 | 1 | 43.3 | -28.1 | 0 | 0 | 0 | 114.1 | | |
| 455 | D | 43.1 | Very low | 44.4 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | | | | -177.3 | 171.6 | 114.4 | -126.1 | -48.9 | 0 | 0 | 0 | 115.6 | | |
| 456 | E | 45.5 | Very low | 45 | Very low | 131 Ų | 131 | 148.9 Ų | 148.9 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | trans | 52.7 | 111.9 | 159.6 | -68.7 | -121.8 | 104 | 0 | 0 | 123.3 | | |
| 457 | R | 44.9 | Very low | 45.3 | Very low | 200 Ų | 200 | 151.9 Ų | 151.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 85.5 | 147.9 | 130.3 | -69.7 | -172.8 | -166.2 | -123 | -8.2 | 124.7 | | |
| 458 | E | 45.1 | Very low | 45.7 | Very low | 179 Ų | 179 | 149.5 Ų | 149.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | | | trans | 75.9 | 120.6 | 154 | -139 | 147.7 | 135.8 | 0 | 0 | 120.6 | | |
| 459 | S | 38.6 | Very low | 45.9 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -117.6 | 149 | 165.5 | -63.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 460 | P | 45.1 | Very low | 46.6 | Very low | 120 Ų | 120 | 151.6 Ų | 151.6 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | | -145.7 | 148.1 | 104.3 | 35.9 | -21.3 | 0 | 0 | 0 | 116.4 | | |
| 461 | S | 41.5 | Very low | 47 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | 24.8 | 130.1 | 138.1 | -165.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 462 | V | 48.2 | Very low | 47.7 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | | 177.6 | 150.9 | 115.7 | 146.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 463 | K | 48.4 | Very low | 48.4 | Very low | 193 Ų | 193 | 156.2 Ų | 156.2 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | 58.9 | 81.7 | 164.9 | -80.9 | 162.2 | -174.4 | 173.5 | 0 | 119.9 | M465 | K463-M465 PolarHBondContact O-N 3.38Š|
| 464 | R | 46.4 | Very low | 49.1 | Very low | 236 Ų | 236 | 158.7 Ų | 158.7 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | | | trans | -51.3 | 117.1 | 146.4 | 177.3 | -168.3 | -61.4 | 133.3 | -1.5 | 111.8 | | |
| 465 | M | 55.3 | Low | 48.9 | Very low | 177 Ų | 177 | 161.4 Ų | 161.4 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | | | trans | -79.5 | 143.7 | 167.3 | -168.5 | 162.3 | 75.5 | 0 | 0 | 110.8 | K463 | K463-M465 PolarHBondContact O-N 3.38Š|
| 466 | R | 50.8 | Low | 49.3 | Very low | 223 Ų | 223 | 162.2 Ų | 162.2 | 84% | 0.842 | 84% | 0.839 | S | S | * | * | | | trans | -126.4 | 110.8 | -172.5 | -167.8 | 179.8 | -163.1 | 149.5 | 1.9 | 110.3 | | |
| 467 | L | 56.7 | Low | 49.5 | Very low | 169 Ų | 169 | 164.1 Ų | 164.1 | 89% | 0.885 | 85% | 0.852 | S | S | * | * | | | trans | -83.5 | 123.9 | 166.8 | -73.4 | 166.4 | 0 | 0 | 0 | 108.8 | | |
| 468 | S | 52.4 | Low | 49.8 | Very low | 111 Ų | 111 | 161.8 Ų | 161.8 | 78% | 0.776 | 86% | 0.858 | S | S | * | * | | | trans | -104.5 | 149.2 | 174.1 | 49.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 469 | E | 46.6 | Very low | 50.1 | Low | 199 Ų | 199 | 160.7 Ų | 160.7 | 93% | 0.93 | 86% | 0.859 | S | S | * | * | | | trans | -74.3 | 158.4 | -174.9 | -64.7 | 161.6 | 109.8 | 0 | 0 | 113.1 | | |
| 470 | G | 60.5 | Low | 50.9 | Low | 65 Ų | 65 | 164.2 Ų | 164.2 | 67% | 0.67 | 87% | 0.865 | S | S | * | * | | | trans | -153.3 | 92.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 471 | W | 48.7 | Very low | 51.4 | Low | 260 Ų | 260 | 167.6 Ų | 167.6 | 99% | 0.985 | 87% | 0.872 | S | S | * | * | | | trans | -156.6 | 95.6 | 172.8 | -87.2 | 100.3 | 0 | 0 | 0 | 110.2 | | |
| 472 | A | 56.7 | Low | 52.2 | Low | 100 Ų | 100 | 172.7 Ų | 172.7 | 83% | 0.826 | 88% | 0.882 | S | S | * | * | | | trans | -177.6 | 90.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 473 | T | 55.5 | Low | 52.6 | Low | 220 Ų | 220 | 177.5 Ų | 177.5 | 100% | 1.35 | 90% | 0.897 | S | S | * | * | | | trans | -156.8 | 0 | 142.5 | 47.7 | 0 | 0 | 0 | 0 | 107.5 | | |