| 1 | M | 66.4 | Low | 91.8 | Very high | 224 Ų | 224 | 154.9 Ų | 154.9 | 100% | 1.103 | 73% | 0.726 | S | S | * | * | | | | 0 | 125 | 0 | -163.8 | 75.3 | 79.5 | 0 | 0 | 108.9 | | |
| 2 | G | 86.8 | Confident | 92.3 | Very high | 66 Ų | 66 | 153 Ų | 153 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 171.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | K4 | G2-K4 PolarHBondContact O-N 3.49Š|
| 3 | R | 91.4 | Very high | 92.6 | Very high | 254 Ų | 254 | 146.8 Ų | 146.8 | 96% | 0.958 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 122.3 | 171.6 | -65.3 | -176.6 | -176.1 | -176.8 | 2.2 | 109.6 | | |
| 4 | K | 94.1 | Very high | 93 | Very high | 177 Ų | 177 | 142.9 Ų | 142.9 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 149.6 | 172.7 | -65 | -174.2 | 177.3 | -175.6 | 0 | 110.8 | G2 | G2-K4 PolarHBondContact O-N 3.49Š|
| 5 | K | 93.9 | Very high | 93.3 | Very high | 211 Ų | 211 | 146.7 Ų | 146.7 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 141.2 | 170.4 | -174.7 | 175.5 | 174.4 | 178.3 | 0 | 109.1 | | |
| 6 | I | 94.8 | Very high | 93.5 | Very high | 86 Ų | 86 | 143.1 Ų | 143.1 | 44% | 0.441 | 68% | 0.678 | S | S | . | * | | | trans | -126.1 | 153.6 | 173.9 | 69.7 | 173.7 | 0 | 0 | 0 | 109.6 | | |
| 7 | Q | 96.3 | Very high | 93.7 | Very high | 148 Ų | 148 | 136.8 Ų | 136.8 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | | | trans | -72.6 | 152.8 | 171.1 | -64.5 | -174.8 | -1.4 | 0 | 0 | 110.7 | Q9 | Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 HydrophobicContact CB-CG 4.41Å; Q7-Q9 PolarHBondContact O-N 3.36Å; Q7-Q9 VanDerWaalsContact O-N 3.14Å |
| 8 | I | 96.1 | Very high | 93.9 | Very high | 145 Ų | 145 | 133.8 Ų | 133.8 | 74% | 0.744 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -86.9 | 80.4 | 175.7 | -53.4 | -56.5 | 0 | 0 | 0 | 108.5 | | |
| 9 | Q | 96.5 | Very high | 94.1 | Very high | 144 Ų | 144 | 130.8 Ų | 130.8 | 67% | 0.673 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -138.4 | 168.7 | 175 | -61.4 | -162 | 48.4 | 0 | 0 | 109.8 | Q7 I11 | Q7-Q9 VanDerWaalsContact C-N 3.34Å; Q7-Q9 HydrophobicContact CB-CG 4.41Å; Q7-Q9 PolarHBondContact O-N 3.36Å; Q7-Q9 VanDerWaalsContact O-N 3.14Å; Q9-I11 PolarHBondContact O-N 3.36Å |
| 10 | R | 96.4 | Very high | 94.2 | Very high | 201 Ų | 201 | 126.2 Ų | 126.2 | 76% | 0.758 | 60% | 0.603 | S | S | * | * | | | trans | -61.8 | 122.6 | 174.7 | -179.8 | 178.3 | 176.3 | 174.6 | 0.1 | 110 | T12 | R10-T12 PolarHBondContact O-N 3.11Š|
| 11 | I | 97.1 | Very high | 94.4 | Very high | 48 Ų | 48 | 121.9 Ų | 121.9 | 25% | 0.246 | 58% | 0.582 | C | S | . | * | | | trans | -70.3 | 118.5 | 174.9 | -57.8 | 172.7 | 0 | 0 | 0 | 108.8 | Q9 N16 R17 T20 | Q9-I11 PolarHBondContact O-N 3.36Å; I11-N16 HydrophobicContact CG2-CB 4.17Å; I11-R17 HydrophobicContact CB-CB 3.96Å; I11-R17 HydrophobicContact CB-CG 4.25Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.29Å; I11-R17 PolarHBondContact O-NH1 2.76Å; I11-T20 HydrophobicContact CD1-CG2 3.77Å |
| 12 | T | 97.5 | Very high | 95.9 | Very high | 132 Ų | 132 | 114.7 Ų | 114.7 | 81% | 0.81 | 55% | 0.551 | S | S | * | * | | | trans | -68.2 | -51.8 | -178.1 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | R10 E14 R17 | R10-T12 PolarHBondContact O-N 3.11Å; T12-E14 PolarHBondContact O-N 3.41Å; T12-R17 PolarHBondContact O-NH1 3.48Å |
| 13 | D | 97.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 118.3 Ų | 118.3 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -61.4 | 121.3 | 177.2 | 177.9 | -42.4 | 0 | 0 | 0 | 112 | R15 N16 R17 | D13-R15 WeakPolarHBondContact OD1-CA 3.48Å; D13-R15 WeakPolarHBondContact OD1-CB 3.48Å; D13-R15 PolarHBondContact OD1-N 3.44Å; D13-N16 HydrophobicContact CB-CB 4.01Å; D13-N16 PolarHBondContact OD1-N 3.07Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.23Å |
| 14 | E | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 112.8 Ų | 112.8 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -45.1 | -178.2 | -167.4 | 65.1 | -127.2 | 0 | 0 | 113.1 | T12 R17 Q18 H50 | T12-E14 PolarHBondContact O-N 3.41Å; E14-R17 PolarHBondContact O-N 3.32Å; E14-R17 IonicContact OE1-CZ 3Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 3.88Å; E14-R17 PolarHBondContact OE1-NH2 3.42Å; E14-R17 IonicContact OE2-CZ 2.61Å; E14-R17 VanDerWaalsContact OE2-CZ 3.29Å; E14-R17 IonicContact OE2-NH1 3.29Å; E14-R17 PolarHBondContact OE2-NH1 3.47Å; E14-R17 IonicContact OE2-NH2 3.53Å; E14-R17 PolarHBondContact OE2-NH2 2.92Å; E14-Q18 WeakPolarHBondContact O-CB 3.45Å; E14-Q18 PolarHBondContact O-N 3.26Å; E14-H50 IonicContact OE1-CD2 3.45Å; E14-H50 IonicContact OE1-CE1 2.88Å; E14-H50 IonicContact OE1-NE2 3.96Å; E14-H50 PolarHBondContact OE1-NE2 3.26Å |
| 15 | R | 97.6 | Very high | 96.9 | Very high | 201 Ų | 201 | 106.5 Ų | 106.5 | 76% | 0.758 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -45.7 | -176 | -176.8 | -175.9 | -68.2 | 170.1 | -1.5 | 109.7 | D13 Q18 V19 | D13-R15 WeakPolarHBondContact OD1-CA 3.48Å; D13-R15 WeakPolarHBondContact OD1-CB 3.48Å; D13-R15 PolarHBondContact OD1-N 3.44Å; R15-Q18 PolarHBondContact O-N 3.03Å; R15-V19 WeakPolarHBondContact O-CG2 3.06Å; R15-V19 PolarHBondContact O-N 3.04Å |
| 16 | N | 96.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -37 | 175.5 | -75.6 | -40.4 | 0 | 0 | 0 | 111.8 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.17Å; D13-N16 HydrophobicContact CB-CB 4.01Å; D13-N16 PolarHBondContact OD1-N 3.07Å; D13-N16 PolarHBondContact OD2-ND2 3.38Å; N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 PolarHBondContact O-N 3.01Å; N16-T20 PolarHBondContact O-OG1 2.98Å |
| 17 | R | 97.4 | Very high | 97.3 | Very high | 35 Ų | 35 | 100.7 Ų | 100.7 | 13% | 0.132 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 174.2 | -172.3 | 165.3 | 73.1 | -105.1 | 7.5 | 111.6 | I11 T12 D13 E14 T20 F21 H50 | I11-R17 HydrophobicContact CB-CB 3.96Å; I11-R17 HydrophobicContact CB-CG 4.25Å; I11-R17 HydrophobicContact CG2-CB 4Å; I11-R17 WeakPolarHBondContact O-CD 3.29Å; I11-R17 PolarHBondContact O-NH1 2.76Å; T12-R17 PolarHBondContact O-NH1 3.48Å; D13-R17 WeakPolarHBondContact O-CB 3.49Å; D13-R17 PolarHBondContact O-N 3.23Å; E14-R17 PolarHBondContact O-N 3.32Å; E14-R17 IonicContact OE1-CZ 3Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 3.88Å; E14-R17 PolarHBondContact OE1-NH2 3.42Å; E14-R17 IonicContact OE2-CZ 2.61Å; E14-R17 VanDerWaalsContact OE2-CZ 3.29Å; E14-R17 IonicContact OE2-NH1 3.29Å; E14-R17 PolarHBondContact OE2-NH1 3.47Å; E14-R17 IonicContact OE2-NH2 3.53Å; E14-R17 PolarHBondContact OE2-NH2 2.92Å; R17-T20 PolarHBondContact O-N 3.34Å; R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.42Å; R17-F21 PolarHBondContact O-N 2.63Å; R17-H50 PolarHBondContact NH2-NE2 3.41Å |
| 18 | Q | 97.3 | Very high | 97.4 | Very high | 83 Ų | 83 | 98 Ų | 98 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 179.8 | -176.8 | 60.9 | 13.9 | 0 | 0 | 112 | E14 R15 T20 F21 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.45Å; E14-Q18 PolarHBondContact O-N 3.26Å; R15-Q18 PolarHBondContact O-N 3.03Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.22Å; Q18-F21 PolarHBondContact O-N 3.16Å; Q18-T22 PolarHBondContact O-N 2.95Å; Q18-T22 PolarHBondContact O-OG1 3.35Å |
| 19 | V | 97.2 | Very high | 97.5 | Very high | 77 Ų | 77 | 92.4 Ų | 92.4 | 47% | 0.467 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | R15 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.06Å; R15-V19 PolarHBondContact O-N 3.04Å; V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.31Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 3.22Å |
| 20 | T | 96.7 | Very high | 97.6 | Very high | 38 Ų | 38 | 90.8 Ų | 90.8 | 23% | 0.233 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -68.5 | -40.9 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | I11 N16 R17 Q18 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.77Å; N16-T20 WeakPolarHBondContact O-CB 3.3Å; N16-T20 PolarHBondContact O-N 3.01Å; N16-T20 PolarHBondContact O-OG1 2.98Å; R17-T20 PolarHBondContact O-N 3.34Å; Q18-T20 VanDerWaalsContact C-N 3.32Å; Q18-T20 PolarHBondContact O-N 3.22Å; T20-K23 PolarHBondContact O-N 2.96Å; T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.46Å |
| 21 | F | 98 | Very high | 97.7 | Very high | 36 Ų | 36 | 87.5 Ų | 87.5 | 16% | 0.158 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.6 | -55 | 175.9 | 176 | -100.9 | 0 | 0 | 0 | 110.7 | R17 Q18 K23 R24 K25 I47 N49 F55 | R17-F21 VanDerWaalsContact O-CB 3.29Å; R17-F21 WeakPolarHBondContact O-CB 3.42Å; R17-F21 PolarHBondContact O-N 2.63Å; Q18-F21 PolarHBondContact O-N 3.16Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.92Å; F21-R24 PolarHBondContact O-N 2.86Å; F21-K25 HydrophobicContact CE1-CD 3.96Å; F21-K25 HydrophobicContact CZ-CD 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 2.71Å; F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; F21-N49 HydrophobicContact CE1-CB 4.42Å; F21-N49 HydrophobicContact CE2-CB 4.33Å; F21-N49 HydrophobicContact CZ-CB 3.96Å; F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.69Å; F21-F55 HydrophobicContact CE1-CE2 3.69Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.72Å; F21-F55 HydrophobicContact CZ-CD2 3.72Å; F21-F55 AromaticContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CG 4.43Å; F21-F55 HydrophobicContact CZ-CZ 4.47Å |
| 22 | T | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 85.8 Ų | 85.8 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -54.1 | -45.7 | 178.6 | -60.6 | 0 | 0 | 0 | 0 | 111.9 | Q18 F26 | Q18-T22 PolarHBondContact O-N 2.95Å; Q18-T22 PolarHBondContact O-OG1 3.35Å; T22-F26 PolarHBondContact O-N 3.01Å |
| 23 | K | 96.9 | Very high | 97.8 | Very high | 143 Ų | 143 | 85.8 Ų | 85.8 | 62% | 0.622 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -72.1 | -41.1 | -178.4 | -68.2 | 176 | 70.8 | 168.3 | 0 | 113.3 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 3.97Å; V19-K23 WeakPolarHBondContact O-CB 3.31Å; V19-K23 VanDerWaalsContact O-CG 3.31Å; V19-K23 WeakPolarHBondContact O-CG 3.37Å; V19-K23 PolarHBondContact O-N 3.22Å; T20-K23 PolarHBondContact O-N 2.96Å; F21-K23 VanDerWaalsContact C-N 3.29Å; F21-K23 PolarHBondContact O-N 2.92Å; K23-G27 PolarHBondContact O-N 2.93Å |
| 24 | R | 98.1 | Very high | 97.9 | Very high | 137 Ų | 137 | 84.9 Ų | 84.9 | 52% | 0.517 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -72.2 | -40 | 178.2 | -74.3 | -170.2 | 176.7 | -153.5 | -2.1 | 111.9 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.02Å; T20-R24 VanDerWaalsContact O-CB 3.3Å; T20-R24 WeakPolarHBondContact O-CB 3.38Å; T20-R24 WeakPolarHBondContact O-CG 3.29Å; T20-R24 PolarHBondContact O-N 3.46Å; F21-R24 PolarHBondContact O-N 2.86Å; R24-F26 PolarHBondContact O-N 2.58Å; R24-G27 PolarHBondContact O-N 3.41Å; R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 PolarHBondContact O-N 3.47Å |
| 25 | K | 98.3 | Very high | 98 | Very high | 45 Ų | 45 | 84.9 Ų | 84.9 | 20% | 0.196 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -55.7 | -50.5 | 174.2 | -173.2 | -176.1 | 76.9 | 70.6 | 0 | 111 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 3.96Å; F21-K25 HydrophobicContact CZ-CD 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.22Å; F21-K25 PolarHBondContact O-N 2.71Å; K25-L28 PolarHBondContact O-N 2.99Å; K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CG-CE 3.86Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.11Å; K25-M29 VanDerWaalsContact O-CG 3.28Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 2.96Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.82Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CD2 4.46Å; K25-F55 HydrophobicContact CD-CG 3.82Å |
| 26 | F | 98.4 | Very high | 98 | Very high | 142 Ų | 142 | 75.8 Ų | 75.8 | 62% | 0.623 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.8 | -41.4 | 176.6 | -174.6 | -98.4 | 0 | 0 | 0 | 112.6 | T22 R24 L28 M29 K30 | T22-F26 PolarHBondContact O-N 3.01Å; R24-F26 PolarHBondContact O-N 2.58Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.66Å; F26-M29 PolarHBondContact O-N 2.93Å; F26-K30 WeakPolarHBondContact O-CB 3.27Å; F26-K30 PolarHBondContact O-N 3Å |
| 27 | G | 98.5 | Very high | 98.1 | Very high | 34 Ų | 34 | 76 Ų | 76 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | K23 R24 K31 | K23-G27 PolarHBondContact O-N 2.93Å; R24-G27 PolarHBondContact O-N 3.41Å; G27-K31 PolarHBondContact O-N 3.08Å; G27-K31 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 98.6 | Very high | 98.2 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.2 | -44.9 | 175.9 | -175.5 | 58.7 | 0 | 0 | 0 | 111.6 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.48Å; R24-L28 PolarHBondContact O-N 3.47Å; K25-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 2.66Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.1Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 2.9Å; L28-K31 VanDerWaalsContact O-N 3.1Å; L28-A32 PolarHBondContact O-N 3.18Å; L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.94Å; L28-L45 HydrophobicContact CG-CD2 3.84Å; L28-I47 HydrophobicContact CD2-CD1 4.42Å |
| 29 | M | 98.5 | Very high | 98.2 | Very high | 28 Ų | 28 | 80.8 Ų | 80.8 | 14% | 0.138 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -58.3 | -42 | 173.3 | -71.6 | 166.1 | 165.6 | 0 | 0 | 111.5 | K25 F26 K31 A32 Y33 L45 Y57 | K25-M29 HydrophobicContact CD-CE 4.15Å; K25-M29 HydrophobicContact CG-CE 3.86Å; K25-M29 HydrophobicContact CG-SD 3.96Å; K25-M29 PolarHBondContact NZ-SD 3.11Å; K25-M29 VanDerWaalsContact O-CG 3.28Å; K25-M29 WeakPolarHBondContact O-CG 3.37Å; K25-M29 PolarHBondContact O-N 2.96Å; F26-M29 PolarHBondContact O-N 2.93Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.09Å; M29-A32 PolarHBondContact O-N 3.36Å; M29-Y33 WeakPolarHBondContact O-CB 3.46Å; M29-Y33 PolarHBondContact O-N 3.21Å; M29-L45 HydrophobicContact CG-CD2 4.24Å; M29-Y57 HydrophobicContact CG-CG 4.34Å |
| 30 | K | 98.6 | Very high | 98.2 | Very high | 110 Ų | 110 | 84.7 Ų | 84.7 | 48% | 0.478 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -37.1 | 174.5 | -169.2 | 176.1 | -167.3 | -71.5 | 0 | 112.6 | F26 L28 E34 | F26-K30 WeakPolarHBondContact O-CB 3.27Å; F26-K30 PolarHBondContact O-N 3Å; L28-K30 VanDerWaalsContact C-N 3.31Å; L28-K30 PolarHBondContact O-N 3.1Å; K30-E34 IonicContact NZ-OE1 2.63Å; K30-E34 PolarHBondContact NZ-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.27Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.46Å |
| 31 | K | 98.7 | Very high | 98.3 | Very high | 132 Ų | 132 | 85.6 Ų | 85.6 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -69.7 | -40.1 | 176 | -80.6 | -75.6 | 160.3 | -146.4 | 0 | 112.7 | G27 L28 M29 E34 L35 | G27-K31 PolarHBondContact O-N 3.08Å; G27-K31 VanDerWaalsContact O-N 3.08Å; L28-K31 WeakPolarHBondContact O-CB 3.44Å; L28-K31 PolarHBondContact O-N 2.9Å; L28-K31 VanDerWaalsContact O-N 3.1Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.09Å; K31-E34 WeakPolarHBondContact CE-OE2 3.36Å; K31-E34 IonicContact NZ-OE2 3.45Å; K31-E34 PolarHBondContact NZ-OE2 3.36Å; K31-E34 PolarHBondContact O-N 3.36Å; K31-L35 WeakPolarHBondContact O-CB 3.17Å; K31-L35 PolarHBondContact O-N 3.31Å |
| 32 | A | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 88 Ų | 88 | 11% | 0.107 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62 | -45.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 3.18Å; M29-A32 PolarHBondContact O-N 3.36Å; A32-L35 PolarHBondContact O-N 2.9Å; A32-S36 PolarHBondContact O-N 2.81Å; A32-S36 PolarHBondContact O-OG 2.87Å; A32-I43 HydrophobicContact CB-CG2 4.12Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.67Å |
| 33 | Y | 98.6 | Very high | 98.2 | Very high | 131 Ų | 131 | 86.3 Ų | 86.3 | 51% | 0.514 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.1 | -52.4 | 173.5 | 172.9 | -99.5 | 0 | 0 | 0 | 112.4 | M29 L35 S36 V37 Y57 | M29-Y33 WeakPolarHBondContact O-CB 3.46Å; M29-Y33 PolarHBondContact O-N 3.21Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.48Å; Y33-S36 WeakPolarHBondContact CA-OG 3.3Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.98Å; Y33-V37 HydrophobicContact CD2-CG2 4.16Å; Y33-V37 HydrophobicContact CE1-CG2 4.35Å; Y33-V37 HydrophobicContact CE2-CG2 3.71Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.82Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.48Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.32Å |
| 34 | E | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 25% | 0.248 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -54.9 | -44.6 | 177.4 | -75.9 | 166.1 | -174.4 | 0 | 0 | 111.9 | K30 K31 L38 | K30-E34 IonicContact NZ-OE1 2.63Å; K30-E34 PolarHBondContact NZ-OE1 3.44Å; K30-E34 WeakPolarHBondContact O-CB 3.42Å; K30-E34 VanDerWaalsContact O-CG 3.27Å; K30-E34 WeakPolarHBondContact O-CG 3.46Å; K30-E34 PolarHBondContact O-N 3.46Å; K31-E34 WeakPolarHBondContact CE-OE2 3.36Å; K31-E34 IonicContact NZ-OE2 3.45Å; K31-E34 PolarHBondContact NZ-OE2 3.36Å; K31-E34 PolarHBondContact O-N 3.36Å; E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.28Å; E34-L38 PolarHBondContact O-N 3.22Å |
| 35 | L | 98.6 | Very high | 98.3 | Very high | 92 Ų | 92 | 76.5 Ų | 76.5 | 48% | 0.482 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 178.6 | -175 | 61 | 0 | 0 | 0 | 112.4 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.17Å; K31-L35 PolarHBondContact O-N 3.31Å; A32-L35 PolarHBondContact O-N 2.9Å; Y33-L35 VanDerWaalsContact C-N 3.3Å; Y33-L35 PolarHBondContact O-N 3.48Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.33Å; L35-L38 PolarHBondContact O-N 3.31Å; L35-C39 HydrophobicContact CD1-CB 4.43Å; L35-C39 PolarHBondContact O-N 3.49Å; L35-C39 VanDerWaalsContact O-N 3.09Å; L35-I43 HydrophobicContact CB-CD1 3.98Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.96Å |
| 36 | S | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 78.3 Ų | 78.3 | 7% | 0.07 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 178.8 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | A32 Y33 D40 C41 S59 | A32-S36 PolarHBondContact O-N 2.81Å; A32-S36 PolarHBondContact O-OG 2.87Å; Y33-S36 WeakPolarHBondContact CA-OG 3.3Å; Y33-S36 PolarHBondContact O-N 3.41Å; Y33-S36 PolarHBondContact O-OG 2.98Å; S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.26Å; S36-D40 PolarHBondContact O-N 3.42Å; S36-D40 VanDerWaalsContact O-N 3.16Å; S36-C41 WeakPolarHBondContact CA-O 3.28Å; S36-C41 WeakPolarHBondContact CB-O 3.23Å; S36-C41 PolarHBondContact O-N 2.94Å; S36-S59 VanDerWaalsContact CB-CB 3.42Å; S36-S59 WeakPolarHBondContact OG-CB 3.38Å |
| 37 | V | 98.3 | Very high | 98.3 | Very high | 93 Ų | 93 | 73 Ų | 73 | 56% | 0.564 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -78.8 | -37.6 | -179.8 | 175.4 | 0 | 0 | 0 | 0 | 112.4 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.16Å; Y33-V37 HydrophobicContact CE1-CG2 4.35Å; Y33-V37 HydrophobicContact CE2-CG2 3.71Å; Y33-V37 WeakPolarHBondContact O-CG2 3.49Å; Y33-V37 PolarHBondContact O-N 2.82Å; L35-V37 VanDerWaalsContact C-N 3.32Å; L35-V37 PolarHBondContact O-N 3.33Å |
| 38 | L | 98.6 | Very high | 98.3 | Very high | 143 Ų | 143 | 77.7 Ų | 77.7 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -75.2 | -29.1 | -177.4 | -71.8 | 171.1 | 0 | 0 | 0 | 113.5 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.3Å; E34-L38 WeakPolarHBondContact O-CB 3.38Å; E34-L38 WeakPolarHBondContact O-CD1 3.44Å; E34-L38 WeakPolarHBondContact O-CG 3.28Å; E34-L38 PolarHBondContact O-N 3.22Å; L35-L38 PolarHBondContact O-N 3.31Å |
| 39 | C | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 51% | 0.514 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 11.2 | -173.5 | -58 | 0 | 0 | 0 | 0 | 113.6 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.43Å; L35-C39 PolarHBondContact O-N 3.49Å; L35-C39 VanDerWaalsContact O-N 3.09Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.08Å; C39-C41 PolarHBondContact O-SG 3.33Å |
| 40 | D | 97.8 | Very high | 97.9 | Very high | 160 Ų | 160 | 77.7 Ų | 77.7 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.3 | 52.4 | -175.6 | -159 | 20.3 | 0 | 0 | 0 | 113.2 | S36 | S36-D40 VanDerWaalsContact O-CA 3.29Å; S36-D40 WeakPolarHBondContact O-CA 3.26Å; S36-D40 PolarHBondContact O-N 3.42Å; S36-D40 VanDerWaalsContact O-N 3.16Å |
| 41 | C | 97.1 | Very high | 97.8 | Very high | 56 Ų | 56 | 75.5 Ų | 75.5 | 38% | 0.378 | 40% | 0.397 | S | S | . | . | | | trans | -111.9 | 131.5 | -171.4 | -73.4 | 0 | 0 | 0 | 0 | 112.4 | S36 C39 I43 S59 | S36-C41 WeakPolarHBondContact CA-O 3.28Å; S36-C41 WeakPolarHBondContact CB-O 3.23Å; S36-C41 PolarHBondContact O-N 2.94Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.08Å; C39-C41 PolarHBondContact O-SG 3.33Å; C41-I43 HydrophobicContact CB-CD1 4.39Å; C41-I43 HydrophobicContact CB-CG1 4.28Å; C41-S59 PolarHBondContact O-OG 3.02Å |
| 42 | E | 97.5 | Very high | 97.7 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 41% | 0.411 | 40% | 0.404 | S | S | . | . | | | trans | -77.4 | 122.3 | 168.9 | -65.4 | -169.2 | 110.3 | 0 | 0 | 110.6 | T60 V65 K68 | E42-T60 PolarHBondContact OE1-OG1 3.06Å; E42-V65 HydrophobicContact CB-CG2 4.18Å; E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å |
| 43 | I | 98 | Very high | 97.6 | Very high | 36 Ų | 36 | 81.6 Ų | 81.6 | 19% | 0.185 | 43% | 0.427 | C | S | . | . | | | trans | -133 | 122.8 | -175.2 | -58.7 | 176.2 | 0 | 0 | 0 | 109.3 | A32 L35 C41 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.12Å; L35-I43 HydrophobicContact CB-CD1 3.98Å; L35-I43 HydrophobicContact CD2-CD1 3.93Å; L35-I43 HydrophobicContact CG-CD1 3.96Å; C41-I43 HydrophobicContact CB-CD1 4.39Å; C41-I43 HydrophobicContact CB-CG1 4.28Å; I43-A58 CarbonylContact O-C 3.55Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.38Å; I43-S59 PolarHBondContact N-OG 3.34Å; I43-S59 PolarHBondContact O-N 3.19Å |
| 44 | A | 98.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 79.4 Ų | 79.4 | 32% | 0.322 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | M62 V65 | A44-M62 HydrophobicContact CB-CE 4.3Å; A44-M62 HydrophobicContact CB-SD 3.92Å; A44-V65 HydrophobicContact CB-CB 4.1Å; A44-V65 HydrophobicContact CB-CG1 3.58Å |
| 45 | L | 98.3 | Very high | 97.6 | Very high | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 119.7 | 178.4 | 175.1 | 63.6 | 0 | 0 | 0 | 109.5 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.18Å; L28-L45 HydrophobicContact CD2-CD2 3.94Å; L28-L45 HydrophobicContact CG-CD2 3.84Å; M29-L45 HydrophobicContact CG-CD2 4.24Å; L45-I47 HydrophobicContact CD1-CD1 4.38Å; L45-I47 HydrophobicContact CD1-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CD1 4.1Å; L45-I47 HydrophobicContact CG-CD1 4.13Å; L45-I47 HydrophobicContact CG-CG1 4.16Å; L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.31Å; L45-Y57 HydrophobicContact CB-CD1 4.43Å; L45-Y57 PolarHBondContact N-O 3.01Å; L45-Y57 PolarHBondContact O-N 2.84Å |
| 46 | I | 98.2 | Very high | 97.5 | Very high | 83 Ų | 83 | 80.4 Ų | 80.4 | 43% | 0.426 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.8 | 179.8 | -64.3 | 174.1 | 0 | 0 | 0 | 108.6 | F48 L54 M62 L66 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; I46-L54 HydrophobicContact CG2-CD1 3.81Å; I46-M62 HydrophobicContact CD1-SD 4.42Å; I46-M62 HydrophobicContact CG1-SD 4.32Å; I46-L66 HydrophobicContact CD1-CD2 4.22Å |
| 47 | I | 98.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 82 Ų | 82 | 16% | 0.159 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 115.2 | -179.1 | -57.4 | 169.8 | 0 | 0 | 0 | 109.3 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.83Å; F21-I47 HydrophobicContact CZ-CG2 4.06Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.42Å; L45-I47 HydrophobicContact CD1-CD1 4.38Å; L45-I47 HydrophobicContact CD1-CG1 4.17Å; L45-I47 HydrophobicContact CD2-CD1 4.1Å; L45-I47 HydrophobicContact CG-CD1 4.13Å; L45-I47 HydrophobicContact CG-CG1 4.16Å; I47-F55 HydrophobicContact CB-CB 4.42Å; I47-F55 PolarHBondContact N-O 2.83Å; I47-F55 PolarHBondContact O-N 3.29Å |
| 48 | F | 98.3 | Very high | 97.5 | Very high | 132 Ų | 132 | 78.7 Ų | 78.7 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 128.9 | 165 | -64.6 | -82.2 | 0 | 0 | 0 | 109.7 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.09Å; I46-F48 HydrophobicContact CG2-CE2 3.57Å; I46-F48 HydrophobicContact CG2-CZ 4.21Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.39Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.9Å; F48-L54 HydrophobicContact CE1-CG 4.37Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.89Å |
| 49 | N | 95.8 | Very high | 97.5 | Very high | 23 Ų | 23 | 73.7 Ų | 73.7 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | | | trans | -80.9 | 170.9 | 170.6 | -168.7 | 15.7 | 0 | 0 | 0 | 110.7 | F21 S51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.42Å; F21-N49 HydrophobicContact CE2-CB 4.33Å; F21-N49 HydrophobicContact CZ-CB 3.96Å; N49-S51 PolarHBondContact O-N 3.26Å; N49-N52 WeakPolarHBondContact O-CA 3.49Å; N49-N52 PolarHBondContact O-N 3.22Å; N49-K53 PolarHBondContact N-O 3.19Å; N49-F55 HydrophobicContact CB-CE2 4.01Å |
| 50 | H | 93.7 | Very high | 97.4 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 44% | 0.44 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -24.3 | 176.8 | 71.7 | 77.2 | 0 | 0 | 0 | 114.6 | E14 R17 N52 | E14-H50 IonicContact OE1-CD2 3.45Å; E14-H50 IonicContact OE1-CE1 2.88Å; E14-H50 IonicContact OE1-NE2 3.96Å; E14-H50 PolarHBondContact OE1-NE2 3.26Å; R17-H50 PolarHBondContact NH2-NE2 3.41Å; H50-N52 VanDerWaalsContact C-N 3.32Å |
| 51 | S | 95.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 69.6 Ų | 69.6 | 45% | 0.448 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 18.5 | 175.5 | -29.6 | 0 | 0 | 0 | 0 | 113.4 | N49 K53 | N49-S51 PolarHBondContact O-N 3.26Å; S51-K53 PolarHBondContact O-N 3.06Å |
| 52 | N | 96.2 | Very high | 97.4 | Very high | 135 Ų | 135 | 67.7 Ų | 67.7 | 72% | 0.722 | 35% | 0.351 | S | S | * | . | | | trans | 54.1 | 17.4 | -175.3 | -60.1 | -34.3 | 0 | 0 | 0 | 115.8 | N49 H50 L54 | N49-N52 WeakPolarHBondContact O-CA 3.49Å; N49-N52 PolarHBondContact O-N 3.22Å; H50-N52 VanDerWaalsContact C-N 3.32Å; N52-L54 PolarHBondContact O-N 2.81Å |
| 53 | K | 97.6 | Very high | 97.4 | Very high | 137 Ų | 137 | 69.3 Ų | 69.3 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | | | trans | -73.3 | 122.9 | 172.5 | -65.7 | -169.5 | 178.5 | -170.4 | 0 | 109.9 | N49 S51 F55 | N49-K53 PolarHBondContact N-O 3.19Å; S51-K53 PolarHBondContact O-N 3.06Å; K53-F55 HydrophobicContact CB-CE2 3.95Å; K53-F55 HydrophobicContact CB-CZ 4.37Å; K53-F55 WeakPolarHBondContact O-CD2 3.5Å; K53-F55 WeakPolarHBondContact O-CE2 3.33Å |
| 54 | L | 97.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 74 Ų | 74 | 45% | 0.445 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134.2 | 175.2 | 175.9 | 58.8 | 0 | 0 | 0 | 111 | I46 F48 N52 Q56 | I46-L54 HydrophobicContact CG2-CD1 3.81Å; F48-L54 HydrophobicContact CD1-CB 4.24Å; F48-L54 HydrophobicContact CD1-CD1 4.39Å; F48-L54 HydrophobicContact CE1-CB 3.91Å; F48-L54 HydrophobicContact CE1-CD1 3.9Å; F48-L54 HydrophobicContact CE1-CG 4.37Å; F48-L54 HydrophobicContact CE2-CD1 4.39Å; F48-L54 HydrophobicContact CZ-CD1 3.89Å; N52-L54 PolarHBondContact O-N 2.81Å; L54-Q56 HydrophobicContact CD1-CB 4.44Å |
| 55 | F | 98.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 73 Ų | 73 | 28% | 0.281 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 127.5 | 164.4 | -57.2 | -94 | 0 | 0 | 0 | 107.8 | F21 K25 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.04Å; F21-F55 AromaticContact CE1-CE2 3.69Å; F21-F55 HydrophobicContact CE1-CE2 3.69Å; F21-F55 AromaticContact CE1-CZ 3.97Å; F21-F55 HydrophobicContact CE1-CZ 3.97Å; F21-F55 AromaticContact CZ-CD2 3.72Å; F21-F55 HydrophobicContact CZ-CD2 3.72Å; F21-F55 AromaticContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CE2 3.75Å; F21-F55 HydrophobicContact CZ-CG 4.43Å; F21-F55 HydrophobicContact CZ-CZ 4.47Å; K25-F55 HydrophobicContact CD-CB 3.82Å; K25-F55 HydrophobicContact CD-CD1 3.95Å; K25-F55 HydrophobicContact CD-CD2 4.46Å; K25-F55 HydrophobicContact CD-CG 3.82Å; I47-F55 HydrophobicContact CB-CB 4.42Å; I47-F55 PolarHBondContact N-O 2.83Å; I47-F55 PolarHBondContact O-N 3.29Å; N49-F55 HydrophobicContact CB-CE2 4.01Å; K53-F55 HydrophobicContact CB-CE2 3.95Å; K53-F55 HydrophobicContact CB-CZ 4.37Å; K53-F55 WeakPolarHBondContact O-CD2 3.5Å; K53-F55 WeakPolarHBondContact O-CE2 3.33Å |
| 56 | Q | 98.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 74.6 Ų | 74.6 | 48% | 0.477 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 159.9 | -175.9 | 80.1 | -168.6 | 48.3 | 0 | 0 | 112.3 | L45 L54 M62 | L45-Q56 CarbonylContact O-C 3.54Å; L45-Q56 VanDerWaalsContact O-CA 3.28Å; L45-Q56 WeakPolarHBondContact O-CA 3.31Å; L54-Q56 HydrophobicContact CD1-CB 4.44Å; Q56-M62 HydrophobicContact CB-CE 3.72Å; Q56-M62 HydrophobicContact CG-CE 3.94Å |
| 57 | Y | 98.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 75.4 Ų | 75.4 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 137.5 | 171 | 166.4 | -94.3 | 0 | 0 | 0 | 108.8 | M29 A32 Y33 L45 M62 | M29-Y57 HydrophobicContact CG-CG 4.34Å; A32-Y57 HydrophobicContact CB-CD1 3.99Å; A32-Y57 HydrophobicContact CB-CE1 3.67Å; Y33-Y57 VanDerWaalsContact CA-OH 3.32Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.48Å; Y33-Y57 WeakPolarHBondContact CB-OH 3.32Å; L45-Y57 HydrophobicContact CB-CD1 4.43Å; L45-Y57 PolarHBondContact N-O 3.01Å; L45-Y57 PolarHBondContact O-N 2.84Å; Y57-M62 VanDerWaalsContact O-CE 3.23Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å |
| 58 | A | 98.3 | Very high | 96.9 | Very high | 23 Ų | 23 | 77.9 Ų | 77.9 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 148.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | I43 M62 | I43-A58 CarbonylContact O-C 3.55Å; I43-A58 VanDerWaalsContact O-CA 3.3Å; I43-A58 WeakPolarHBondContact O-CA 3.38Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.12Å |
| 59 | S | 97.8 | Very high | 96.7 | Very high | 37 Ų | 37 | 79.3 Ų | 79.3 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -72 | -32.4 | 169.7 | 55.5 | 0 | 0 | 0 | 0 | 112.3 | S36 C41 I43 | S36-S59 VanDerWaalsContact CB-CB 3.42Å; S36-S59 WeakPolarHBondContact OG-CB 3.38Å; C41-S59 PolarHBondContact O-OG 3.02Å; I43-S59 PolarHBondContact N-OG 3.34Å; I43-S59 PolarHBondContact O-N 3.19Å |
| 60 | T | 96.5 | Very high | 96.7 | Very high | 87 Ų | 87 | 83.1 Ų | 83.1 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -115.2 | -87.1 | 175.7 | 52.5 | 0 | 0 | 0 | 0 | 110.8 | E42 | E42-T60 PolarHBondContact OE1-OG1 3.06Š|
| 61 | D | 96.9 | Very high | 96.6 | Very high | 63 Ų | 63 | 84.6 Ų | 84.6 | 34% | 0.337 | 43% | 0.428 | S | S | . | . | | | trans | -141 | 133.3 | -175.2 | -175.1 | -62.1 | 0 | 0 | 0 | 109 | D63 K64 V65 | D61-D63 PolarHBondContact OD1-N 2.84Å; D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.79Å; D61-K64 HydrophobicContact CB-CG 3.83Å; D61-K64 PolarHBondContact OD1-N 3.4Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 2.99Å |
| 62 | M | 97.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 89.1 Ų | 89.1 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | -175 | -177.8 | 62.5 | 59.7 | 0 | 0 | 111.7 | A44 I46 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-CE 4.3Å; A44-M62 HydrophobicContact CB-SD 3.92Å; I46-M62 HydrophobicContact CD1-SD 4.42Å; I46-M62 HydrophobicContact CG1-SD 4.32Å; Q56-M62 HydrophobicContact CB-CE 3.72Å; Q56-M62 HydrophobicContact CG-CE 3.94Å; Y57-M62 VanDerWaalsContact O-CE 3.23Å; Y57-M62 WeakPolarHBondContact O-CE 3.49Å; A58-M62 HydrophobicContact CB-CB 4.35Å; A58-M62 HydrophobicContact CB-CE 4.12Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.71Å; M62-V65 PolarHBondContact O-N 3.02Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.32Å; M62-L66 WeakPolarHBondContact O-CB 3.29Å; M62-L66 VanDerWaalsContact O-CG 3.29Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.44Å; M62-L66 HydrophobicContact SD-CD1 4Å; M62-L66 HydrophobicContact SD-CG 4.09Å |
| 63 | D | 97.1 | Very high | 95.2 | Very high | 121 Ų | 121 | 90.8 Ų | 90.8 | 65% | 0.647 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -72.2 | -34 | -172.8 | -60.7 | -24.1 | 0 | 0 | 0 | 110 | D61 L67 | D61-D63 PolarHBondContact OD1-N 2.84Å; D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.42Å; D63-L67 PolarHBondContact O-N 3.48Å |
| 64 | K | 97 | Very high | 94.7 | Very high | 134 Ų | 134 | 92.3 Ų | 92.3 | 58% | 0.583 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 172.8 | -61.9 | -175.2 | -168.2 | 175.2 | 0 | 112.8 | D61 M62 L66 L67 K68 | D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.79Å; D61-K64 HydrophobicContact CB-CG 3.83Å; D61-K64 PolarHBondContact OD1-N 3.4Å; M62-K64 VanDerWaalsContact C-N 3.33Å; M62-K64 PolarHBondContact O-N 2.71Å; K64-L66 VanDerWaalsContact C-N 3.34Å; K64-L67 PolarHBondContact O-N 2.95Å; K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 3.45Å |
| 65 | V | 96.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 91.4 Ų | 91.4 | 12% | 0.121 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.5 | -35 | -179.9 | 179.4 | 0 | 0 | 0 | 0 | 111.1 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.18Å; A44-V65 HydrophobicContact CB-CB 4.1Å; A44-V65 HydrophobicContact CB-CG1 3.58Å; D61-V65 WeakPolarHBondContact O-CG2 3.3Å; D61-V65 PolarHBondContact O-N 2.99Å; M62-V65 PolarHBondContact O-N 3.02Å; V65-Y69 WeakPolarHBondContact O-CB 3.4Å; V65-Y69 PolarHBondContact O-N 3.31Å |
| 66 | L | 96.4 | Very high | 94 | Very high | 69 Ų | 69 | 98 Ų | 98 | 36% | 0.361 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 173.9 | -71.4 | 176.5 | 0 | 0 | 0 | 112.7 | I46 M62 K64 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.22Å; M62-L66 HydrophobicContact CG-CD1 3.81Å; M62-L66 HydrophobicContact CG-CG 4.32Å; M62-L66 WeakPolarHBondContact O-CB 3.29Å; M62-L66 VanDerWaalsContact O-CG 3.29Å; M62-L66 WeakPolarHBondContact O-CG 3.13Å; M62-L66 PolarHBondContact O-N 3.44Å; M62-L66 HydrophobicContact SD-CD1 4Å; M62-L66 HydrophobicContact SD-CG 4.09Å; K64-L66 VanDerWaalsContact C-N 3.34Å; L66-Y69 WeakPolarHBondContact O-CB 3.21Å; L66-Y69 PolarHBondContact O-N 3.23Å; L66-T70 PolarHBondContact O-N 3.26Å |
| 67 | L | 95.7 | Very high | 93.7 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.7 | -50.2 | 174.8 | 179.6 | 61.9 | 0 | 0 | 0 | 110.5 | D63 K64 Y69 T70 E71 | D63-L67 VanDerWaalsContact O-CB 3.22Å; D63-L67 WeakPolarHBondContact O-CB 3.42Å; D63-L67 PolarHBondContact O-N 3.48Å; K64-L67 PolarHBondContact O-N 2.95Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.45Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.61Å; L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-E71 VanDerWaalsContact O-N 3.11Å |
| 68 | K | 95 | Very high | 93.5 | Very high | 83 Ų | 83 | 101.2 Ų | 101.2 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -54.2 | -45.8 | 173.3 | -171.8 | 179.7 | -172.1 | -177.4 | 0 | 111.4 | E42 K64 T70 E71 Y72 | E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 3.41Å; K64-K68 VanDerWaalsContact O-CB 3.31Å; K64-K68 WeakPolarHBondContact O-CB 3.46Å; K64-K68 PolarHBondContact O-N 3.45Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.86Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 2.82Å; K68-E71 VanDerWaalsContact O-N 3.08Å; K68-Y72 HydrophobicContact CD-CE2 4.5Å; K68-Y72 HydrophobicContact CG-CD2 4.15Å; K68-Y72 HydrophobicContact CG-CE2 3.77Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.42Å; K68-Y72 PolarHBondContact O-N 2.78Å |
| 69 | Y | 94.9 | Very high | 93.3 | Very high | 162 Ų | 162 | 107.4 Ų | 107.4 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -58.7 | -36.9 | 175.8 | 176.1 | -94 | 0 | 0 | 0 | 112.9 | V65 L66 L67 E71 | V65-Y69 WeakPolarHBondContact O-CB 3.4Å; V65-Y69 PolarHBondContact O-N 3.31Å; L66-Y69 WeakPolarHBondContact O-CB 3.21Å; L66-Y69 PolarHBondContact O-N 3.23Å; L67-Y69 VanDerWaalsContact C-N 3.3Å; L67-Y69 PolarHBondContact O-N 3.45Å; Y69-E71 VanDerWaalsContact C-N 3.33Å |
| 70 | T | 94.1 | Very high | 93.3 | Very high | 102 Ų | 102 | 109.4 Ų | 109.4 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -74.9 | -18.1 | 175.6 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | L66 L67 K68 | L66-T70 PolarHBondContact O-N 3.26Å; L67-T70 PolarHBondContact O-N 2.87Å; L67-T70 PolarHBondContact O-OG1 2.61Å; K68-T70 VanDerWaalsContact C-N 3.29Å; K68-T70 PolarHBondContact O-N 2.86Å |
| 71 | E | 93.1 | Very high | 93.3 | Very high | 126 Ų | 126 | 111.5 Ų | 111.5 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -81 | -24.5 | 174.9 | -68.2 | 168.7 | -179.6 | 0 | 0 | 112.3 | L67 K68 Y69 | L67-E71 WeakPolarHBondContact O-CG 3.17Å; L67-E71 PolarHBondContact O-N 2.84Å; L67-E71 VanDerWaalsContact O-N 3.11Å; K68-E71 WeakPolarHBondContact O-CB 3.46Å; K68-E71 PolarHBondContact O-N 2.82Å; K68-E71 VanDerWaalsContact O-N 3.08Å; Y69-E71 VanDerWaalsContact C-N 3.33Å |
| 72 | Y | 89.1 | Confident | 93.2 | Very high | 159 Ų | 159 | 111.4 Ų | 111.4 | 62% | 0.624 | 56% | 0.557 | S | S | * | * | | | trans | -89.3 | 116.8 | 173.7 | -74 | -80.2 | 0 | 0 | 0 | 111.4 | K68 E74 | K68-Y72 HydrophobicContact CD-CE2 4.5Å; K68-Y72 HydrophobicContact CG-CD2 4.15Å; K68-Y72 HydrophobicContact CG-CE2 3.77Å; K68-Y72 VanDerWaalsContact O-CD2 3.26Å; K68-Y72 WeakPolarHBondContact O-CD2 3.42Å; K68-Y72 PolarHBondContact O-N 2.78Å; Y72-E74 PolarHBondContact O-N 2.88Å |
| 73 | N | 73.3 | Confident | 93 | Very high | 171 Ų | 171 | 113.1 Ų | 113.1 | 91% | 0.914 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -72 | -26.3 | -177.7 | -71 | -79.5 | 0 | 0 | 0 | 114.3 | | |
| 74 | E | 86.2 | Confident | 92.9 | Very high | 168 Ų | 168 | 111.3 Ų | 111.3 | 79% | 0.785 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -143.9 | 130.1 | -178.7 | -166.2 | 171.5 | -170.1 | 0 | 0 | 111.2 | Y72 | Y72-E74 PolarHBondContact O-N 2.88Š|
| 75 | P | 90.7 | Very high | 92.8 | Very high | 66 Ų | 66 | 109.4 Ų | 109.4 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | | | trans | -75.8 | 131.8 | 176.3 | 30.5 | -34.2 | 0 | 0 | 0 | 111.2 | E77 | P75-E77 PolarHBondContact O-N 3Š|
| 76 | H | 90.3 | Very high | 92.6 | Very high | 203 Ų | 203 | 113.7 Ų | 113.7 | 94% | 0.94 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -57.4 | -35.5 | 178.6 | -179.5 | 68.5 | 0 | 0 | 0 | 113.6 | | |
| 77 | E | 93.3 | Very high | 92.5 | Very high | 126 Ų | 126 | 114.1 Ų | 114.1 | 59% | 0.589 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -134.7 | 128.9 | 168.5 | -175.7 | 177.4 | -166.1 | 0 | 0 | 108.8 | P75 R79 | P75-E77 PolarHBondContact O-N 3Å; E77-R79 HydrophobicContact CG-CG 4.19Å; E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.7Å; E77-R79 PolarHBondContact OE1-NE 3.37Å; E77-R79 IonicContact OE1-NH2 2.58Å; E77-R79 PolarHBondContact OE1-NH2 2.92Å |
| 78 | S | 92.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 115.3 Ų | 115.3 | 62% | 0.615 | 58% | 0.582 | S | S | * | * | | | trans | -118.7 | 138.8 | 169 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 79 | R | 95.2 | Very high | 92 | Very high | 154 Ų | 154 | 119.3 Ų | 119.3 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | | | trans | -138.4 | 133.5 | -179.6 | -65.1 | -64.7 | -175.4 | -168.4 | -5.8 | 110.6 | E77 | E77-R79 HydrophobicContact CG-CG 4.19Å; E77-R79 IonicContact OE1-CZ 3.13Å; E77-R79 IonicContact OE1-NE 2.7Å; E77-R79 PolarHBondContact OE1-NE 3.37Å; E77-R79 IonicContact OE1-NH2 2.58Å; E77-R79 PolarHBondContact OE1-NH2 2.92Å |
| 80 | T | 97 | Very high | 91.8 | Very high | 79 Ų | 79 | 118.3 Ų | 118.3 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | | | trans | -111.4 | 174.5 | 174.9 | 76.7 | 0 | 0 | 0 | 0 | 110.8 | A82 D83 I84 | T80-A82 PolarHBondContact O-N 3.34Å; T80-A82 PolarHBondContact OG1-N 2.72Å; T80-D83 WeakPolarHBondContact CA-OD2 3.36Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 3.29Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-OD2 3.27Å; T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 2.82Å |
| 81 | N | 96.1 | Very high | 91 | Very high | 131 Ų | 131 | 121.9 Ų | 121.9 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.5 | -29.5 | 173.1 | -69.7 | -24.9 | 0 | 0 | 0 | 112.7 | I85 | N81-I85 WeakPolarHBondContact O-CB 3.22Å; N81-I85 VanDerWaalsContact O-CD1 3.32Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 2.7Å |
| 82 | A | 95.8 | Very high | 89.4 | Confident | 61 Ų | 61 | 119 Ų | 119 | 50% | 0.504 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.3 | -47.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T80 I84 I85 E86 | T80-A82 PolarHBondContact O-N 3.34Å; T80-A82 PolarHBondContact OG1-N 2.72Å; A82-I84 VanDerWaalsContact C-N 3.31Å; A82-I84 PolarHBondContact O-N 3.21Å; A82-I85 PolarHBondContact O-N 3.33Å; A82-I85 VanDerWaalsContact O-N 3.15Å; A82-E86 PolarHBondContact O-N 3.35Å |
| 83 | D | 94.4 | Very high | 87.4 | Confident | 52 Ų | 52 | 120.3 Ų | 120.3 | 28% | 0.278 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.9 | -38.8 | -179.9 | -46.2 | -66.3 | 0 | 0 | 0 | 111.6 | T80 E86 T87 | T80-D83 WeakPolarHBondContact CA-OD2 3.36Å; T80-D83 VanDerWaalsContact CB-OD2 3.28Å; T80-D83 WeakPolarHBondContact CB-OD2 3.28Å; T80-D83 PolarHBondContact N-OD2 3.29Å; T80-D83 PolarHBondContact O-N 3.46Å; T80-D83 PolarHBondContact OG1-OD2 3.27Å; D83-E86 PolarHBondContact O-N 3.27Å; D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.73Å |
| 84 | I | 94.4 | Very high | 86.3 | Confident | 83 Ų | 83 | 117 Ų | 117 | 43% | 0.426 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.2 | -44.4 | 175.5 | -63.6 | 166 | 0 | 0 | 0 | 110.4 | T80 A82 T87 L88 | T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 2.82Å; A82-I84 VanDerWaalsContact C-N 3.31Å; A82-I84 PolarHBondContact O-N 3.21Å; I84-T87 PolarHBondContact O-N 2.61Å; I84-L88 HydrophobicContact CG2-CD1 4.03Å; I84-L88 WeakPolarHBondContact O-CB 3.16Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.19Å |
| 85 | I | 94.1 | Very high | 84.4 | Confident | 95 Ų | 95 | 112.4 Ų | 112.4 | 49% | 0.487 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.7 | -39.9 | 177.1 | -71.5 | 164.4 | 0 | 0 | 0 | 111.1 | N81 A82 R89 | N81-I85 WeakPolarHBondContact O-CB 3.22Å; N81-I85 VanDerWaalsContact O-CD1 3.32Å; N81-I85 WeakPolarHBondContact O-CD1 3.43Å; N81-I85 WeakPolarHBondContact O-CG1 3.24Å; N81-I85 PolarHBondContact O-N 2.7Å; A82-I85 PolarHBondContact O-N 3.33Å; A82-I85 VanDerWaalsContact O-N 3.15Å; I85-R89 VanDerWaalsContact O-CG 3.3Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 3.14Å; I85-R89 PolarHBondContact O-NE 3.25Å |
| 86 | E | 93.9 | Very high | 82.4 | Confident | 109 Ų | 109 | 115.1 Ų | 115.1 | 51% | 0.509 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63.8 | -48.6 | 174.1 | -173.4 | 174 | 164.4 | 0 | 0 | 112.1 | A82 D83 L88 R89 K90 | A82-E86 PolarHBondContact O-N 3.35Å; D83-E86 PolarHBondContact O-N 3.27Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.98Å; E86-R89 PolarHBondContact O-N 2.97Å; E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.3Å |
| 87 | T | 92.8 | Very high | 80.1 | Confident | 78 Ų | 78 | 113.3 Ų | 113.3 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -56.9 | -42.5 | 177.5 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | D83 I84 K91 | D83-T87 WeakPolarHBondContact O-CB 3.32Å; D83-T87 PolarHBondContact O-N 3.03Å; D83-T87 PolarHBondContact O-OG1 2.73Å; I84-T87 PolarHBondContact O-N 2.61Å; T87-K91 VanDerWaalsContact O-CB 3.22Å; T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 PolarHBondContact O-N 3.03Å |
| 88 | L | 90.8 | Very high | 77.8 | Confident | 126 Ų | 126 | 111.7 Ų | 111.7 | 66% | 0.66 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.2 | -32.4 | 176.4 | -71.2 | 171.9 | 0 | 0 | 0 | 113.2 | I84 E86 G92 | I84-L88 HydrophobicContact CG2-CD1 4.03Å; I84-L88 WeakPolarHBondContact O-CB 3.16Å; I84-L88 VanDerWaalsContact O-CG 3.24Å; I84-L88 WeakPolarHBondContact O-CG 3.41Å; I84-L88 PolarHBondContact O-N 3.19Å; E86-L88 VanDerWaalsContact C-N 3.27Å; E86-L88 PolarHBondContact O-N 2.98Å; L88-G92 PolarHBondContact O-N 3.3Å |
| 89 | R | 90.9 | Very high | 76.2 | Confident | 166 Ų | 166 | 112.9 Ų | 112.9 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -73.6 | -47.3 | 174.1 | -72.7 | -179.9 | -61 | 156.6 | 4.9 | 111.7 | I85 E86 K91 G92 | I85-R89 VanDerWaalsContact O-CG 3.3Å; I85-R89 WeakPolarHBondContact O-CG 3.32Å; I85-R89 PolarHBondContact O-N 3.14Å; I85-R89 PolarHBondContact O-NE 3.25Å; E86-R89 PolarHBondContact O-N 2.97Å; R89-K91 PolarHBondContact O-N 3.47Å; R89-G92 VanDerWaalsContact O-CA 3.32Å; R89-G92 WeakPolarHBondContact O-CA 3.49Å; R89-G92 PolarHBondContact O-N 2.84Å |
| 90 | K | 89.3 | Confident | 73.8 | Confident | 141 Ų | 141 | 114.2 Ų | 114.2 | 61% | 0.613 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.1 | -44 | 178.7 | -171 | 172.3 | -177.8 | 175.5 | 0 | 111.4 | E86 G92 F93 N94 | E86-K90 WeakPolarHBondContact O-CB 3.34Å; E86-K90 PolarHBondContact O-N 3.3Å; K90-G92 PolarHBondContact O-N 3.15Å; K90-F93 PolarHBondContact O-N 2.74Å; K90-F93 VanDerWaalsContact O-N 3.17Å; K90-N94 PolarHBondContact O-N 3.41Å; K90-N94 VanDerWaalsContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 2.89Å |
| 91 | K | 78.4 | Confident | 71.8 | Confident | 177 Ų | 177 | 115.4 Ų | 115.4 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -7.2 | 173.2 | -158.9 | 154.2 | -171.1 | 161.5 | 0 | 113.8 | T87 R89 | T87-K91 VanDerWaalsContact O-CB 3.22Å; T87-K91 WeakPolarHBondContact O-CB 3.3Å; T87-K91 PolarHBondContact O-N 3.03Å; R89-K91 PolarHBondContact O-N 3.47Å |
| 92 | G | 58.3 | Low | 69.3 | Low | 65 Ų | 65 | 117.1 Ų | 117.1 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -6.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L88 R89 K90 | L88-G92 PolarHBondContact O-N 3.3Å; R89-G92 VanDerWaalsContact O-CA 3.32Å; R89-G92 WeakPolarHBondContact O-CA 3.49Å; R89-G92 PolarHBondContact O-N 2.84Å; K90-G92 PolarHBondContact O-N 3.15Å |
| 93 | F | 47.8 | Very low | 66.7 | Low | 187 Ų | 187 | 118 Ų | 118 | 82% | 0.82 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -27.4 | 176.2 | -164.5 | -104 | 0 | 0 | 0 | 112.9 | K90 G95 | K90-F93 PolarHBondContact O-N 2.74Å; K90-F93 VanDerWaalsContact O-N 3.17Å; F93-G95 PolarHBondContact O-N 3.39Å |
| 94 | N | 49.4 | Very low | 64.2 | Low | 101 Ų | 101 | 124.6 Ų | 124.6 | 54% | 0.54 | 69% | 0.693 | S | S | . | * | | | trans | -102.6 | 80.7 | -176.9 | -61.5 | 43.1 | 0 | 0 | 0 | 110.6 | K90 C96 | K90-N94 PolarHBondContact O-N 3.41Å; K90-N94 VanDerWaalsContact O-N 3.11Å; K90-N94 PolarHBondContact O-OD1 2.89Å; N94-C96 PolarHBondContact O-N 3.21Å |
| 95 | G | 47.3 | Very low | 61.4 | Low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 71% | 0.713 | S | S | * | * | | | trans | -73.3 | 121.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F93 | F93-G95 PolarHBondContact O-N 3.39Š|
| 96 | C | 48.6 | Very low | 59.1 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | | | trans | 55.4 | 100 | 172.2 | -163.7 | 0 | 0 | 0 | 0 | 115.9 | N94 | N94-C96 PolarHBondContact O-N 3.21Š|
| 97 | D | 41.6 | Very low | 56.7 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | | | trans | -130.6 | 135.5 | 138.5 | -164.4 | 31.6 | 0 | 0 | 0 | 108.2 | | |
| 98 | S | 44.5 | Very low | 54.2 | Low | 91 Ų | 91 | 135.3 Ų | 135.3 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -103.5 | 140.3 | -170.7 | -170.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 99 | P | 59.3 | Low | 52 | Low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | | | trans | -72.9 | 133.9 | 173.2 | 31.4 | -33.3 | 0 | 0 | 0 | 110.3 | | |
| 100 | E | 46.2 | Very low | 49.5 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | | | trans | 166.4 | 157 | 140.6 | -95.5 | -161.6 | 130.3 | 0 | 0 | 110 | | |
| 101 | P | 54.1 | Low | 47.6 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | | | cis | -130.9 | -158 | -37.6 | 36.9 | -18.8 | 0 | 0 | 0 | 110.8 | | |
| 102 | D | 43.9 | Very low | 46.2 | Very low | 168 Ų | 168 | 131 Ų | 131 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | | | trans | -48.2 | 144.8 | -173.1 | -57.2 | -84.5 | 0 | 0 | 0 | 117.2 | | |
| 103 | G | 40.8 | Very low | 45.9 | Very low | 78 Ų | 78 | 133.6 Ų | 133.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -165.5 | 70.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | D105 | G103-D105 PolarHBondContact O-N 3.41Š|
| 104 | E | 41.6 | Very low | 45.9 | Very low | 191 Ų | 191 | 131.6 Ų | 131.6 | 89% | 0.893 | 76% | 0.756 | S | S | * | * | | | trans | -63.3 | 121 | 167.5 | 61.1 | -164.8 | 152.1 | 0 | 0 | 110.2 | | |
| 105 | D | 36.9 | Very low | 46.2 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | | | | -165.9 | 167.3 | 124.3 | -135.9 | -30.6 | 0 | 0 | 0 | 113 | G103 | G103-D105 PolarHBondContact O-N 3.41Š|
| 106 | S | 44.2 | Very low | 46.5 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | | | trans | -86.2 | 154.4 | -168.6 | -87.2 | 0 | 0 | 0 | 0 | 116 | | |
| 107 | L | 45.3 | Very low | 46.7 | Very low | 161 Ų | 161 | 138 Ų | 138 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | 61 | 103.8 | 146 | -62.1 | 164.6 | 0 | 0 | 0 | 119.2 | | |
| 108 | E | 40 | Very low | 47.5 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 83% | 0.827 | 73% | 0.734 | S | S | * | * | | | | 158.8 | 118.3 | 111.2 | -82.5 | -151.1 | 132.8 | 0 | 0 | 111.4 | S110 | E108-S110 PolarHBondContact O-N 3.47Š|
| 109 | Q | 43.1 | Very low | 48.1 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 94% | 0.939 | 74% | 0.739 | S | S | * | * | | | trans | -71.1 | 95 | 170.4 | -77.6 | 168.6 | -58.3 | 0 | 0 | 109.6 | | |
| 110 | S | 38.3 | Very low | 48.1 | Very low | 93 Ų | 93 | 140.4 Ų | 140.4 | 65% | 0.65 | 73% | 0.726 | S | S | * | * | | | trans | -60 | 125.2 | -179.1 | -72.8 | 0 | 0 | 0 | 0 | 112.4 | E108 L112 | E108-S110 PolarHBondContact O-N 3.47Å; S110-L112 PolarHBondContact O-N 3.49Å |
| 111 | P | 51 | Low | 48.9 | Very low | 109 Ų | 109 | 135 Ų | 135 | 71% | 0.708 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -0.5 | -176 | -26.2 | 35.4 | 0 | 0 | 0 | 117.6 | L113 E114 | P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 3.42Å; P111-E114 PolarHBondContact O-N 2.93Å |
| 112 | L | 49 | Very low | 49.4 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 62% | 0.618 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -70 | -22.9 | -169.8 | -146.2 | 175.5 | 0 | 0 | 0 | 113.5 | S110 | S110-L112 PolarHBondContact O-N 3.49Å |
| 113 | L | 51.6 | Low | 50.2 | Low | 119 Ų | 119 | 135.3 Ų | 135.3 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -71.3 | -36.1 | -180 | -166.6 | 64.1 | 0 | 0 | 0 | 111.8 | P111 D115 K116 Y117 | P111-L113 VanDerWaalsContact C-N 3.31Å; P111-L113 PolarHBondContact O-N 3.42Å; L113-D115 PolarHBondContact O-N 3.3Å; L113-K116 PolarHBondContact O-N 2.95Å; L113-Y117 HydrophobicContact CD1-CE2 4.08Å; L113-Y117 HydrophobicContact CG-CD2 4.27Å; L113-Y117 HydrophobicContact CG-CE2 4.08Å; L113-Y117 WeakPolarHBondContact O-CD2 3.35Å; L113-Y117 PolarHBondContact O-N 3.22Å |
| 114 | E | 48.3 | Very low | 51.3 | Low | 144 Ų | 144 | 137.6 Ų | 137.6 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -60.4 | -45.4 | 179.8 | -154.7 | 76.8 | -157.4 | 0 | 0 | 111 | P111 K116 Y117 R118 | P111-E114 PolarHBondContact O-N 2.93Å; E114-K116 VanDerWaalsContact C-N 3.31Å; E114-K116 PolarHBondContact O-N 3.11Å; E114-Y117 PolarHBondContact O-N 3.39Å; E114-Y117 VanDerWaalsContact O-N 3.16Å; E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.05Å |
| 115 | D | 54.7 | Low | 52.3 | Low | 107 Ų | 107 | 133.1 Ų | 133.1 | 57% | 0.572 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -61.7 | -35 | -179.4 | -77.5 | -37.7 | 0 | 0 | 0 | 113 | L113 R119 | L113-D115 PolarHBondContact O-N 3.3Å; D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 3.48Å |
| 116 | K | 52.5 | Low | 53.8 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 66% | 0.661 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.9 | -39.5 | 176 | -85 | -171.9 | 173.7 | -179 | 0 | 112.3 | L113 E114 A120 | L113-K116 PolarHBondContact O-N 2.95Å; E114-K116 VanDerWaalsContact C-N 3.31Å; E114-K116 PolarHBondContact O-N 3.11Å; K116-A120 WeakPolarHBondContact O-CB 3.42Å; K116-A120 PolarHBondContact O-N 3.17Å |
| 117 | Y | 53.7 | Low | 54.8 | Low | 173 Ų | 173 | 126.9 Ų | 126.9 | 68% | 0.678 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -72.9 | -39.3 | 176.1 | -79.9 | -78.1 | 0 | 0 | 0 | 112 | L113 E114 A120 S121 | L113-Y117 HydrophobicContact CD1-CE2 4.08Å; L113-Y117 HydrophobicContact CG-CD2 4.27Å; L113-Y117 HydrophobicContact CG-CE2 4.08Å; L113-Y117 WeakPolarHBondContact O-CD2 3.35Å; L113-Y117 PolarHBondContact O-N 3.22Å; E114-Y117 PolarHBondContact O-N 3.39Å; E114-Y117 VanDerWaalsContact O-N 3.16Å; Y117-A120 PolarHBondContact O-N 2.83Å; Y117-S121 PolarHBondContact O-N 3.01Å |
| 118 | R | 57.9 | Low | 55.6 | Low | 168 Ų | 168 | 127.2 Ų | 127.2 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -64.9 | -47.2 | 178.2 | -151.3 | 178.1 | -173.4 | 131.1 | 6.4 | 111.6 | E114 A120 S121 E122 | E114-R118 WeakPolarHBondContact O-CB 3.46Å; E114-R118 PolarHBondContact O-N 3.05Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.9Å; R118-S121 WeakPolarHBondContact O-CB 3.17Å; R118-S121 PolarHBondContact O-N 3.42Å; R118-S121 VanDerWaalsContact O-N 3.08Å; R118-S121 PolarHBondContact O-OG 3.44Å; R118-E122 PolarHBondContact O-N 3.21Å; R118-E122 VanDerWaalsContact O-N 3.13Å |
| 119 | R | 57.6 | Low | 56.5 | Low | 195 Ų | 195 | 128.8 Ų | 128.8 | 74% | 0.736 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.6 | -36.4 | 178.2 | -161 | 178.7 | -135.6 | -155.8 | 4.5 | 112.9 | D115 S121 E122 E123 | D115-R119 WeakPolarHBondContact O-CB 3.5Å; D115-R119 PolarHBondContact O-N 3.48Å; R119-S121 VanDerWaalsContact C-N 3.34Å; R119-E122 PolarHBondContact O-N 3.32Å; R119-E123 PolarHBondContact O-N 2.97Å; R119-E123 VanDerWaalsContact O-N 3.15Å |
| 120 | A | 59.2 | Low | 57.3 | Low | 56 Ų | 56 | 129 Ų | 129 | 46% | 0.463 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -66.2 | -34.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K116 Y117 R118 L124 | K116-A120 WeakPolarHBondContact O-CB 3.42Å; K116-A120 PolarHBondContact O-N 3.17Å; Y117-A120 PolarHBondContact O-N 2.83Å; R118-A120 VanDerWaalsContact C-N 3.34Å; R118-A120 PolarHBondContact O-N 2.9Å; A120-L124 PolarHBondContact O-N 3.32Å |
| 121 | S | 63 | Low | 58 | Low | 70 Ų | 70 | 134 Ų | 134 | 49% | 0.49 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.8 | -36.3 | 176.2 | 74.6 | 0 | 0 | 0 | 0 | 113 | Y117 R118 R119 L124 D125 | Y117-S121 PolarHBondContact O-N 3.01Å; R118-S121 WeakPolarHBondContact O-CB 3.17Å; R118-S121 PolarHBondContact O-N 3.42Å; R118-S121 VanDerWaalsContact O-N 3.08Å; R118-S121 PolarHBondContact O-OG 3.44Å; R119-S121 VanDerWaalsContact C-N 3.34Å; S121-L124 PolarHBondContact O-N 3.47Å; S121-D125 PolarHBondContact O-N 3.43Å |
| 122 | E | 64.9 | Low | 58 | Low | 133 Ų | 133 | 131.9 Ų | 131.9 | 62% | 0.621 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.8 | -34.4 | 177.9 | -67.8 | -179.2 | 115.9 | 0 | 0 | 112.8 | R118 R119 L124 G126 | R118-E122 PolarHBondContact O-N 3.21Å; R118-E122 VanDerWaalsContact O-N 3.13Å; R119-E122 PolarHBondContact O-N 3.32Å; E122-L124 VanDerWaalsContact C-N 3.35Å; E122-G126 PolarHBondContact O-N 3.45Å |
| 123 | E | 60.8 | Low | 58.2 | Low | 145 Ų | 145 | 131.5 Ų | 131.5 | 68% | 0.678 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.8 | -39.7 | 170.5 | -99.2 | -159.7 | 135.5 | 0 | 0 | 112.1 | R119 G126 L127 | R119-E123 PolarHBondContact O-N 2.97Å; R119-E123 VanDerWaalsContact O-N 3.15Å; E123-G126 PolarHBondContact O-N 3.16Å; E123-L127 PolarHBondContact O-N 3.32Å |
| 124 | L | 64.4 | Low | 58.1 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 65% | 0.654 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -66.6 | -44.2 | -178.3 | -157.4 | 82.4 | 0 | 0 | 0 | 112.1 | A120 S121 E122 L127 F128 | A120-L124 PolarHBondContact O-N 3.32Å; S121-L124 PolarHBondContact O-N 3.47Å; E122-L124 VanDerWaalsContact C-N 3.35Å; L124-L127 PolarHBondContact O-N 2.87Å; L124-F128 PolarHBondContact O-N 3.06Å; L124-F128 VanDerWaalsContact O-N 3.07Å |
| 125 | D | 62.7 | Low | 57.9 | Low | 98 Ų | 98 | 129.8 Ų | 129.8 | 52% | 0.524 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -67 | -39.6 | 174.8 | -170.4 | 71.8 | 0 | 0 | 0 | 111.6 | S121 L127 F128 R129 | S121-D125 PolarHBondContact O-N 3.43Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 2.94Å; D125-F128 PolarHBondContact O-N 3.45Å; D125-F128 VanDerWaalsContact O-N 3.14Å; D125-R129 PolarHBondContact O-N 3.08Å |
| 126 | G | 67.3 | Low | 57.4 | Low | 25 Ų | 25 | 130.7 Ų | 130.7 | 26% | 0.258 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63 | -27.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E122 E123 | E122-G126 PolarHBondContact O-N 3.45Å; E123-G126 PolarHBondContact O-N 3.16Å |
| 127 | L | 66.3 | Low | 56.8 | Low | 96 Ų | 96 | 128 Ų | 128 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -75.8 | -44.4 | 169.8 | -91.5 | 155.4 | 0 | 0 | 0 | 111.6 | E123 L124 D125 R129 R130 Y131 | E123-L127 PolarHBondContact O-N 3.32Å; L124-L127 PolarHBondContact O-N 2.87Å; D125-L127 VanDerWaalsContact C-N 3.26Å; D125-L127 PolarHBondContact O-N 2.94Å; L127-R129 VanDerWaalsContact C-N 3.34Å; L127-R129 PolarHBondContact O-N 3.22Å; L127-R130 PolarHBondContact O-N 3.43Å; L127-R130 VanDerWaalsContact O-N 3.09Å; L127-Y131 HydrophobicContact CD2-CD2 4.24Å; L127-Y131 HydrophobicContact CD2-CE2 4.2Å; L127-Y131 PolarHBondContact O-N 3.24Å; L127-Y131 VanDerWaalsContact O-N 3.12Å |
| 128 | F | 61.4 | Low | 56.3 | Low | 168 Ų | 168 | 125.8 Ų | 125.8 | 74% | 0.737 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.4 | -41.1 | 179.3 | -133.9 | -93.2 | 0 | 0 | 0 | 112 | L124 D125 R130 G132 | L124-F128 PolarHBondContact O-N 3.06Å; L124-F128 VanDerWaalsContact O-N 3.07Å; D125-F128 PolarHBondContact O-N 3.45Å; D125-F128 VanDerWaalsContact O-N 3.14Å; F128-R130 VanDerWaalsContact C-N 3.35Å; F128-R130 PolarHBondContact O-N 3.39Å; F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.13Å |
| 129 | R | 59.7 | Low | 55.4 | Low | 209 Ų | 209 | 124.9 Ų | 124.9 | 79% | 0.789 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.2 | -27.8 | 173 | -88.5 | -177.9 | 179.5 | -95.4 | -2.4 | 114.6 | D125 L127 | D125-R129 PolarHBondContact O-N 3.08Å; L127-R129 VanDerWaalsContact C-N 3.34Å; L127-R129 PolarHBondContact O-N 3.22Å |
| 130 | R | 58.7 | Low | 54.3 | Low | 207 Ų | 207 | 126 Ų | 126 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.8 | -23.2 | -177 | -122 | 177.9 | -69.5 | -140.9 | 2.2 | 114.2 | L127 F128 | L127-R130 PolarHBondContact O-N 3.43Å; L127-R130 VanDerWaalsContact O-N 3.09Å; F128-R130 VanDerWaalsContact C-N 3.35Å; F128-R130 PolarHBondContact O-N 3.39Å |
| 131 | Y | 52.8 | Low | 53.1 | Low | 198 Ų | 198 | 127.6 Ų | 127.6 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -109.7 | -14.4 | 178 | -78.3 | -86.7 | 0 | 0 | 0 | 114.3 | L127 S133 | L127-Y131 HydrophobicContact CD2-CD2 4.24Å; L127-Y131 HydrophobicContact CD2-CE2 4.2Å; L127-Y131 PolarHBondContact O-N 3.24Å; L127-Y131 VanDerWaalsContact O-N 3.12Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.15Å |
| 132 | G | 51.6 | Low | 51.8 | Low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | | | trans | -83.9 | 33.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | F128 | F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.13Å |
| 133 | S | 52.9 | Low | 50.8 | Low | 110 Ų | 110 | 132.1 Ų | 132.1 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | | | trans | -132.9 | 62.5 | -175.9 | -177.5 | 0 | 0 | 0 | 0 | 114.4 | Y131 | Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.15Å |
| 134 | A | 49.8 | Very low | 49.5 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -168.2 | 157.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 135 | V | 43.5 | Very low | 48.5 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | 78.3 | 122.6 | 168.8 | -164.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 136 | P | 44.7 | Very low | 47.2 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -86 | 152.8 | 174.3 | 35.5 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 137 | A | 39.7 | Very low | 45.8 | Very low | 96 Ų | 96 | 138 Ų | 138 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -126.9 | 146.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 138 | P | 43.1 | Very low | 44.3 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -85.4 | 160.6 | -171.9 | 34.1 | -36.4 | 0 | 0 | 0 | 114.6 | | |
| 139 | N | 39.9 | Very low | 43 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -55.4 | 134.5 | 169.8 | -100.5 | -66.6 | 0 | 0 | 0 | 113 | | |
| 140 | F | 33.8 | Very low | 41.5 | Very low | 219 Ų | 219 | 135 Ų | 135 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | | | trans | -165 | 127.7 | 131.5 | -93.5 | -65.8 | 0 | 0 | 0 | 109.5 | | |
| 141 | A | 33.7 | Very low | 40.2 | Very low | 89 Ų | 89 | 133.3 Ų | 133.3 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | | | trans | -131.3 | 132.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 142 | M | 35.3 | Very low | 39 | Very low | 178 Ų | 178 | 129.5 Ų | 129.5 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | | | trans | -115.1 | 115.9 | 175.6 | -72.7 | -75.9 | -74.8 | 0 | 0 | 108.6 | | |
| 143 | P | 45.4 | Very low | 38 | Very low | 120 Ų | 120 | 131.2 Ų | 131.2 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -80 | 129.8 | -178.6 | 30 | -32.7 | 0 | 0 | 0 | 112 | | |
| 144 | V | 33.2 | Very low | 37 | Very low | 139 Ų | 139 | 134.4 Ų | 134.4 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | | | trans | -107.6 | 117.8 | 167.6 | 174.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 145 | T | 43.7 | Very low | 35.9 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -106.6 | 125.6 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 146 | V | 34.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 142.2 Ų | 142.2 | 75% | 0.745 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 136 | 172.4 | -88.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 147 | P | 39.3 | Very low | 34.4 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 121 | 170.5 | 32.2 | -30.6 | 0 | 0 | 0 | 111.4 | | |
| 148 | V | 34.9 | Very low | 33.9 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -94 | 133.9 | 161.2 | 165.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 149 | S | 32.3 | Very low | 34.5 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -129.6 | 108.5 | 175.9 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 150 | N | 30.2 | Very low | 34.2 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | | | trans | -168.5 | 142.6 | 143.5 | -138.4 | -22.8 | 0 | 0 | 0 | 111.2 | | |
| 151 | Q | 29.5 | Very low | 34.1 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | | | trans | -166.7 | 121.5 | 162.2 | -99.2 | -104.7 | 44.7 | 0 | 0 | 108.9 | | |
| 152 | S | 29.5 | Very low | 34 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -171.3 | 93.3 | 161.4 | -81.8 | 0 | 0 | 0 | 0 | 111 | | |
| 153 | S | 29.1 | Very low | 33.9 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | | | trans | -174.2 | 116 | 141.8 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 154 | L | 31.7 | Very low | 33.4 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | | | trans | 61.6 | 132 | 137.7 | -55.9 | 174.9 | 0 | 0 | 0 | 121.2 | | |
| 155 | Q | 27.1 | Very low | 33.1 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -92.4 | 150.4 | 170.2 | -62.2 | 170.6 | -31.7 | 0 | 0 | 110.9 | | |
| 156 | F | 28.6 | Very low | 33.3 | Very low | 209 Ų | 209 | 133.9 Ų | 133.9 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | | | trans | -166.5 | 155.8 | 133.4 | -104 | -68.9 | 0 | 0 | 0 | 111.2 | | |
| 157 | S | 29.1 | Very low | 33.1 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | 89.2 | 122.1 | 165.9 | -55.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 158 | N | 29 | Very low | 33.1 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | | | trans | -93.7 | -175.6 | 170.6 | -94.4 | -11.6 | 0 | 0 | 0 | 110.3 | | |
| 159 | P | 55.3 | Low | 32.9 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | cis | -134.8 | -168.6 | -39.9 | 37.5 | -20 | 0 | 0 | 0 | 112.4 | | |
| 160 | S | 32.4 | Very low | 32.8 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | | | trans | 78.4 | 140.7 | 169.5 | -22.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 161 | G | 32.3 | Very low | 33 | Very low | 70 Ų | 70 | 130.7 Ų | 130.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | cis | 163.2 | 154.9 | -6.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 162 | S | 32.2 | Very low | 33 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | 81.7 | 117.3 | 168 | -149.6 | 0 | 0 | 0 | 0 | 119.2 | | |
| 163 | L | 33 | Very low | 33.3 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | | 45.2 | 138.8 | 128.2 | -48.9 | 176.2 | 0 | 0 | 0 | 119.3 | | |
| 164 | V | 34.1 | Very low | 33.7 | Very low | 133 Ų | 133 | 130.1 Ų | 130.1 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | cis | -156.4 | 147.1 | 25.8 | -132 | 0 | 0 | 0 | 0 | 112.7 | | |
| 165 | T | 28.2 | Very low | 33.6 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | trans | -75.4 | -179.7 | 158.4 | 43.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 166 | P | 46.8 | Very low | 34.5 | Very low | 107 Ų | 107 | 124.8 Ų | 124.8 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | cis | -152.5 | 173.7 | 21.8 | 45.5 | -24.8 | 0 | 0 | 0 | 120.9 | | |
| 167 | S | 30.9 | Very low | 34.6 | Very low | 98 Ų | 98 | 124.6 Ų | 124.6 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | 67.7 | 155.9 | 140.8 | -73.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 168 | L | 38.3 | Very low | 34.7 | Very low | 158 Ų | 158 | 124.9 Ų | 124.9 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | | | cis | -131.2 | 134.1 | 12.5 | -70.1 | 165.6 | 0 | 0 | 0 | 109.4 | | |
| 169 | V | 31.8 | Very low | 34.8 | Very low | 111 Ų | 111 | 124.2 Ų | 124.2 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | | | | 84.7 | 115.3 | 62.7 | 171.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 170 | T | 29.1 | Very low | 33.7 | Very low | 126 Ų | 126 | 124.5 Ų | 124.5 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | | | trans | 170.2 | 97.3 | 135.6 | -73.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 171 | S | 33.9 | Very low | 34.9 | Very low | 99 Ų | 99 | 124.5 Ų | 124.5 | 69% | 0.692 | 74% | 0.743 | S | S | * | * | | | | 89.4 | 143.1 | 80.8 | -66.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 172 | S | 30.6 | Very low | 34.8 | Very low | 93 Ų | 93 | 130.5 Ų | 130.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | | | cis | -178.7 | 176.2 | -13.6 | 51.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 173 | L | 35.3 | Very low | 34.7 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | 79.8 | 135.8 | 159.9 | -59.4 | 163.8 | 0 | 0 | 0 | 117.2 | | |
| 174 | T | 37.9 | Very low | 35.6 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | cis | -139.2 | 139.2 | 9.2 | 49.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 175 | D | 30.5 | Very low | 35.4 | Very low | 150 Ų | 150 | 130 Ų | 130 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | | | trans | -80.6 | -170.3 | 161.9 | -153.1 | 31.3 | 0 | 0 | 0 | 109.1 | | |
| 176 | P | 45.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 131 Ų | 131 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | | | cis | -149.5 | -177.1 | 11 | 44 | -21.4 | 0 | 0 | 0 | 120.6 | | |
| 177 | R | 30.4 | Very low | 34.9 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | | | trans | 90.3 | 134.5 | 159.9 | -47.7 | -124.1 | 97.9 | -178.8 | 4.1 | 116.3 | | |
| 178 | L | 30.4 | Very low | 34.7 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 64% | 0.644 | 76% | 0.761 | S | S | * | * | | | cis | 130.4 | 124.2 | 1.6 | -91.7 | -179.6 | 0 | 0 | 0 | 109.5 | | |
| 179 | L | 31.9 | Very low | 34.4 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 83.8 | 115.3 | 146.5 | -62.2 | 164.4 | 0 | 0 | 0 | 122.3 | | |
| 180 | S | 32.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | | 94.8 | 156.6 | 122.9 | -70.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 181 | P | 57.8 | Low | 34.6 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 76% | 0.755 | S | S | * | * | | | trans | -112.1 | 176.5 | -159.6 | 42.8 | -33.8 | 0 | 0 | 0 | 114.5 | | |
| 182 | Q | 29.2 | Very low | 34.8 | Very low | 196 Ų | 196 | 138.8 Ų | 138.8 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | | | trans | 163.3 | 158.1 | 137.6 | -165.9 | 159 | 33.8 | 0 | 0 | 111.7 | | |
| 183 | Q | 31.1 | Very low | 35.5 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | | | trans | -92.9 | -166.7 | 179.7 | -45.3 | -170.8 | -20.3 | 0 | 0 | 111.9 | | |
| 184 | P | 50.8 | Low | 35.3 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | | | cis | -134 | -169.1 | -15.3 | 36.7 | -16.3 | 0 | 0 | 0 | 113.8 | | |
| 185 | A | 30.2 | Very low | 35.4 | Very low | 85 Ų | 85 | 138.3 Ų | 138.3 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | | | | 140 | 123.3 | 129.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 186 | L | 31.9 | Very low | 36.3 | Very low | 148 Ų | 148 | 136.9 Ų | 136.9 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | 74.5 | 122.4 | 136.5 | -66.7 | 170.8 | 0 | 0 | 0 | 124.2 | | |
| 187 | Q | 32 | Very low | 35.7 | Very low | 162 Ų | 162 | 141 Ų | 141 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | 70.3 | 144.1 | 138.2 | -53.4 | -94.8 | -11.2 | 0 | 0 | 116.8 | | |
| 188 | R | 28.7 | Very low | 35.9 | Very low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 78% | 0.778 | S | S | * | * | | | cis | -154.4 | 158 | 15.4 | -165.5 | 171.8 | 167.3 | -172 | -4.2 | 111.8 | | |
| 189 | N | 30.2 | Very low | 36.6 | Very low | 146 Ų | 146 | 140.3 Ų | 140.3 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | | | trans | -57.9 | 152.4 | 173.3 | -173.4 | 17.1 | 0 | 0 | 0 | 115 | | |
| 190 | S | 31.1 | Very low | 36.7 | Very low | 87 Ų | 87 | 136.2 Ų | 136.2 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | | 142 | 118.9 | 122 | -159.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 191 | V | 34.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | 37.1 | 142.5 | 144.8 | -47.7 | 0 | 0 | 0 | 0 | 123.6 | | |
| 192 | S | 38.1 | Very low | 35.8 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -60.9 | 157.8 | 165.9 | -45.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 193 | P | 46.4 | Very low | 36.1 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | | | | -151.6 | 167.2 | 108.1 | 39.1 | -23.9 | 0 | 0 | 0 | 116.2 | | |
| 194 | G | 30.5 | Very low | 36.4 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | | | trans | 104.4 | 135.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 195 | L | 39.4 | Very low | 35.6 | Very low | 166 Ų | 166 | 127 Ų | 127 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | -71.7 | 165.6 | 168.3 | -77.4 | 148.2 | 0 | 0 | 0 | 112.8 | | |
| 196 | P | 49.2 | Very low | 36.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | | | | -127.2 | 141.8 | 101.1 | 36.1 | -30.1 | 0 | 0 | 0 | 111.1 | | |
| 197 | Q | 32.9 | Very low | 36.1 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | | | | 84.7 | 134.9 | 56.6 | -155.7 | 170.7 | 29.6 | 0 | 0 | 114.5 | | |
| 198 | R | 34.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 124.1 Ų | 124.1 | 73% | 0.725 | 78% | 0.775 | S | S | * | * | | | trans | -81.5 | 174.9 | -160.7 | -158.1 | -155.3 | 167.2 | 167.9 | -2.6 | 113.5 | | |
| 199 | P | 44.6 | Very low | 36.6 | Very low | 121 Ų | 121 | 120.2 Ų | 120.2 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | | -119.5 | 148.8 | 120.1 | -6.7 | 26.3 | 0 | 0 | 0 | 116.1 | | |
| 200 | A | 34.3 | Very low | 36.9 | Very low | 60 Ų | 60 | 121 Ų | 121 | 50% | 0.496 | 77% | 0.774 | S | S | . | * | | | trans | -78.7 | 178.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 201 | S | 35.9 | Very low | 37 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | cis | -162 | -179 | 31.7 | -52.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 202 | A | 37.1 | Very low | 36.9 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | cis | -145.4 | 168.5 | -0.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 203 | G | 34.6 | Very low | 36.8 | Very low | 67 Ų | 67 | 121.5 Ų | 121.5 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | | | cis | 135.7 | 90.3 | 18.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 204 | A | 36.7 | Very low | 36.3 | Very low | 84 Ų | 84 | 123.7 Ų | 123.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | | | | 82.2 | 164.8 | 120.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 205 | M | 35.4 | Very low | 36.3 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 80% | 0.803 | 78% | 0.78 | S | S | * | * | | | cis | -150.1 | 165.2 | 18.6 | -48.7 | -96.2 | -176.4 | 0 | 0 | 110.8 | | |
| 206 | L | 40.4 | Very low | 36.1 | Very low | 178 Ų | 178 | 120.4 Ų | 120.4 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | | | trans | 66.5 | 144.1 | 163.4 | -45.3 | 177.7 | 0 | 0 | 0 | 116.3 | | |
| 207 | G | 31.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 121 Ų | 121 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | cis | 129.4 | 113.6 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 208 | G | 34.4 | Very low | 36.2 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | | | trans | 151.3 | 100.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 209 | D | 36 | Very low | 36.3 | Very low | 145 Ų | 145 | 114.6 Ų | 114.6 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | | | trans | -53.8 | 144.8 | 159.9 | 35.5 | -72.3 | 0 | 0 | 0 | 113.9 | | |
| 210 | L | 37.8 | Very low | 36.5 | Very low | 161 Ų | 161 | 114.3 Ų | 114.3 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 166.5 | 129.6 | 130.3 | -88.1 | 170.5 | 0 | 0 | 0 | 113.7 | | |
| 211 | N | 32.8 | Very low | 36.4 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | trans | 33.6 | 125.6 | 137.9 | -162.8 | 31.7 | 0 | 0 | 0 | 123.1 | | |
| 212 | S | 32.7 | Very low | 36.4 | Very low | 100 Ų | 100 | 116 Ų | 116 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | 76.1 | 139.1 | 143.5 | -79.2 | 0 | 0 | 0 | 0 | 123.4 | | |
| 213 | A | 36 | Very low | 36.3 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | 79.3 | 127.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 214 | N | 34.9 | Very low | 36.2 | Very low | 174 Ų | 174 | 118.8 Ų | 118.8 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | -26.7 | 138.8 | 159 | -63.3 | -37.6 | 0 | 0 | 0 | 118 | | |
| 215 | G | 31.5 | Very low | 36.2 | Very low | 70 Ų | 70 | 125.7 Ų | 125.7 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | | | trans | 160.6 | 99.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 216 | A | 34.9 | Very low | 36.5 | Very low | 102 Ų | 102 | 124.3 Ų | 124.3 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | | | | 73.7 | 116.9 | 81.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 217 | C | 37 | Very low | 36.2 | Very low | 131 Ų | 131 | 121.4 Ų | 121.4 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | trans | -78.6 | 145.2 | -169.7 | -38 | 0 | 0 | 0 | 0 | 113 | | |
| 218 | P | 47 | Very low | 36.4 | Very low | 120 Ų | 120 | 122 Ų | 122 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -98.3 | 135.2 | 174.6 | 35.6 | -31.1 | 0 | 0 | 0 | 113.3 | | |
| 219 | S | 35.6 | Very low | 36.5 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | | | trans | -169.8 | 157.6 | 158.3 | -90.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 220 | P | 49 | Very low | 36.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | | | | -113.8 | 160.3 | -123.2 | 39.3 | -36 | 0 | 0 | 0 | 117.9 | | |
| 221 | V | 33.4 | Very low | 36 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 87% | 0.873 | 81% | 0.805 | S | S | * | * | | | trans | 21.2 | 131.9 | 139.5 | -165.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 222 | G | 34.5 | Very low | 36.8 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | | | cis | 166.6 | -158 | 1.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 223 | N | 36.6 | Very low | 36.8 | Very low | 168 Ų | 168 | 124.5 Ų | 124.5 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | | | trans | 67 | 129.1 | -178.8 | -68.1 | 8.1 | 0 | 0 | 0 | 117.5 | | |
| 224 | G | 32.1 | Very low | 36.8 | Very low | 58 Ų | 58 | 127.6 Ų | 127.6 | 60% | 0.598 | 82% | 0.818 | S | S | * | * | | | cis | 175 | 163.5 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 225 | Y | 36.7 | Very low | 37 | Very low | 229 Ų | 229 | 126.8 Ų | 126.8 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | | | trans | 66.9 | 137.9 | 172 | -57.5 | -79.5 | 0 | 0 | 0 | 116.6 | | |
| 226 | V | 41.9 | Very low | 37.6 | Very low | 135 Ų | 135 | 128.5 Ų | 128.5 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | cis | -147.3 | 167.6 | 2.5 | -111.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 227 | S | 33 | Very low | 37.5 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | -58.4 | 170.6 | 175.5 | -44.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 228 | A | 37.6 | Very low | 37.3 | Very low | 92 Ų | 92 | 127.9 Ų | 127.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | cis | -151.9 | 141.3 | 19.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 229 | R | 34.8 | Very low | 36.5 | Very low | 248 Ų | 248 | 130.3 Ų | 130.3 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | | | | 79.2 | 129.8 | 74.9 | -157.1 | -175.4 | -178.9 | -177.1 | 0.7 | 115.3 | | |
| 230 | A | 32.6 | Very low | 36.3 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | trans | 94.7 | 126.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 231 | S | 31.9 | Very low | 35.6 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -82.5 | 164.2 | 179.5 | -48.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 232 | P | 48.9 | Very low | 35.7 | Very low | 137 Ų | 137 | 127.9 Ų | 127.9 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -77 | 146.6 | 178.9 | 31.7 | -35.4 | 0 | 0 | 0 | 113.3 | | |
| 233 | G | 32 | Very low | 36.1 | Very low | 77 Ų | 77 | 132.5 Ų | 132.5 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | -134.2 | 152.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 234 | L | 37 | Very low | 35.9 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | | | trans | -92.1 | 174.6 | -162.7 | -67.7 | 154.8 | 0 | 0 | 0 | 115.3 | | |
| 235 | L | 39.8 | Very low | 36.1 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | | | trans | 101 | 168.2 | 153.9 | -47.3 | -174 | 0 | 0 | 0 | 117.2 | | |
| 236 | P | 43.8 | Very low | 35.9 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | | | | -141.1 | -154.6 | -109.5 | 30.8 | -1.6 | 0 | 0 | 0 | 114.8 | | |
| 237 | V | 31.4 | Very low | 35.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | 80.1 | 143.2 | 160.5 | -179.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 238 | A | 34.5 | Very low | 36.3 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | | | cis | -153.9 | -177.6 | 13.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 239 | N | 28.8 | Very low | 35.9 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | 77.1 | 135.6 | 164.2 | -74.3 | -1 | 0 | 0 | 0 | 119.3 | | |
| 240 | G | 32.9 | Very low | 35.6 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | | | cis | 170.1 | 147.1 | -8.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 241 | N | 33 | Very low | 35.6 | Very low | 159 Ų | 159 | 131.1 Ų | 131.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | trans | 67.7 | 105.8 | 162.4 | -74.9 | 6.1 | 0 | 0 | 0 | 123.1 | | |
| 242 | S | 36.4 | Very low | 36.1 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | | 109.1 | 144.1 | 106.5 | 76.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 243 | L | 42.5 | Very low | 36 | Very low | 163 Ų | 163 | 130.9 Ų | 130.9 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | trans | 94.5 | 140.5 | 161.2 | -60.9 | 175.3 | 0 | 0 | 0 | 120.3 | | |
| 244 | N | 32.9 | Very low | 36.5 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | | | trans | -103.3 | 143.2 | -163.7 | -54 | -62.4 | 0 | 0 | 0 | 112.4 | | |
| 245 | K | 35.8 | Very low | 37.3 | Very low | 193 Ų | 193 | 130.9 Ų | 130.9 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | | | | 162.1 | 126.6 | 115 | -94 | -163.6 | 169.1 | -175.6 | 0 | 115.3 | | |
| 246 | V | 33.2 | Very low | 37.1 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | | | | 72.3 | 139.5 | 128.4 | -179.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 247 | I | 35.4 | Very low | 36.9 | Very low | 150 Ų | 150 | 133.9 Ų | 133.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -111.6 | 156 | 176.7 | 3.5 | 171.6 | 0 | 0 | 0 | 109.2 | | |
| 248 | P | 47 | Very low | 37.2 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | -154.9 | 150.5 | 67.8 | 40.8 | -19.8 | 0 | 0 | 0 | 119.8 | | |
| 249 | A | 29.6 | Very low | 37.2 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | | 36.1 | 157.1 | 129.2 | 0 | 0 | 0 | 0 | 0 | 125.8 | | |
| 250 | K | 29.2 | Very low | 37.7 | Very low | 192 Ų | 192 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | | | trans | 88.2 | 110.4 | 144.2 | -86.1 | 178.6 | 174.6 | -177.1 | 0 | 122.3 | | |
| 251 | S | 31.3 | Very low | 37.8 | Very low | 97 Ų | 97 | 137.4 Ų | 137.4 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | | 48.5 | 129.1 | 129.2 | 61.5 | 0 | 0 | 0 | 0 | 122.6 | | |
| 252 | P | 43.5 | Very low | 37.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -91.2 | 145.6 | 172.9 | 36.2 | -33.6 | 0 | 0 | 0 | 114.6 | | |
| 253 | P | 45.7 | Very low | 38.2 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -119.6 | -163.4 | 168.4 | 48.3 | -36.5 | 0 | 0 | 0 | 110.8 | | |
| 254 | P | 43.5 | Very low | 38.5 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | | | trans | -113.9 | -179.6 | -130.1 | 13.2 | 14.8 | 0 | 0 | 0 | 115.4 | | |
| 255 | P | 53.2 | Low | 38.5 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | -101.1 | 155.7 | -170.7 | 38.1 | -34.5 | 0 | 0 | 0 | 116 | | |
| 256 | T | 36.3 | Very low | 38.6 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | | | trans | -147 | 150.6 | 163.4 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 257 | H | 39.6 | Very low | 39.1 | Very low | 192 Ų | 192 | 134.7 Ų | 134.7 | 89% | 0.889 | 80% | 0.798 | S | S | * | * | | | trans | -38.4 | 163.3 | 177.5 | -48.5 | -96.1 | 0 | 0 | 0 | 118.4 | | |
| 258 | G | 36.5 | Very low | 39.3 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | cis | -173.6 | 170.4 | 2.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 259 | T | 35.9 | Very low | 38.7 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | | | | 179.1 | 144.2 | 76.5 | -41.1 | 0 | 0 | 0 | 0 | 111.7 | | |
| 260 | Q | 37.3 | Very low | 39.2 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | 46.3 | 111.8 | 155.1 | -103.4 | -173 | 74.9 | 0 | 0 | 124.2 | | |
| 261 | L | 35.5 | Very low | 40 | Very low | 161 Ų | 161 | 140 Ų | 140 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | | 166.9 | 145.9 | 96.8 | -95.4 | 167.5 | 0 | 0 | 0 | 111.9 | | |
| 262 | G | 32.8 | Very low | 40.6 | Very low | 82 Ų | 82 | 142.1 Ų | 142.1 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | | | trans | 99.6 | 125.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 263 | A | 44.5 | Very low | 40.4 | Very low | 98 Ų | 98 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | | | trans | -125.5 | -178.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 264 | P | 49.8 | Very low | 40 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | | | cis | -122.9 | -170.1 | -11.8 | 44.4 | -29.6 | 0 | 0 | 0 | 110.4 | | |
| 265 | S | 32.8 | Very low | 39.4 | Very low | 112 Ų | 112 | 142.7 Ų | 142.7 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | | | cis | -145.7 | 151.8 | -8.6 | -160.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 266 | R | 37.2 | Very low | 38.5 | Very low | 230 Ų | 230 | 145.8 Ų | 145.8 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | | | trans | -129.8 | 144.7 | 174.8 | -79.7 | -179.1 | 174 | 171.7 | -0.4 | 110.4 | | |
| 267 | K | 44.6 | Very low | 38.3 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | 20 | 133.2 | 152.7 | -42.3 | 176.9 | -174.2 | -174.4 | 0 | 118.7 | | |
| 268 | P | 39.1 | Very low | 38 | Very low | 133 Ų | 133 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 126.5 | 143.7 | 32.8 | -24.1 | 0 | 0 | 0 | 110.4 | | |
| 269 | D | 35.6 | Very low | 37.9 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -96 | 161.6 | 154.1 | -165.6 | 8.5 | 0 | 0 | 0 | 108.6 | | |
| 270 | L | 39.1 | Very low | 37.7 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 137.3 | -168.2 | -73.8 | 132.5 | 0 | 0 | 0 | 113.8 | | |
| 271 | R | 45.3 | Very low | 37.5 | Very low | 226 Ų | 226 | 142.8 Ų | 142.8 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -122.9 | 125.7 | 158.9 | -75.8 | -165.2 | -96.4 | -166.1 | -4.7 | 109.8 | I273 | R271-I273 PolarHBondContact O-N 2.65Š|
| 272 | V | 44.3 | Very low | 37.3 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | | | trans | -69 | 124.5 | 169.4 | 175.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 273 | I | 40.5 | Very low | 37.5 | Very low | 150 Ų | 150 | 145 Ų | 145 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -130.8 | 122.8 | 168.6 | -62.1 | -179.3 | 0 | 0 | 0 | 108.2 | R271 | R271-I273 PolarHBondContact O-N 2.65Š|
| 274 | T | 36.9 | Very low | 36.8 | Very low | 125 Ų | 125 | 147.4 Ų | 147.4 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | -91.8 | 129.6 | 166.3 | 55 | 0 | 0 | 0 | 0 | 109.3 | | |
| 275 | S | 30.7 | Very low | 36.1 | Very low | 105 Ų | 105 | 147.4 Ų | 147.4 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | 171.6 | 131.3 | 140 | 56.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 276 | Q | 33.5 | Very low | 36.5 | Very low | 183 Ų | 183 | 148.5 Ų | 148.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | 17.3 | 127.3 | 137.4 | -74.2 | 174.3 | -51.1 | 0 | 0 | 122.1 | | |
| 277 | A | 32.1 | Very low | 36.3 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | | 55.3 | 130.3 | 121 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 278 | G | 33.2 | Very low | 36 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 177.2 | 57.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 279 | K | 35.8 | Very low | 35.9 | Very low | 221 Ų | 221 | 145 Ų | 145 | 96% | 0.961 | 79% | 0.786 | S | S | * | * | | | trans | 19.9 | 130.3 | 148.7 | -51.4 | 173.5 | -176.6 | 178.7 | 0 | 121 | | |
| 280 | G | 30.3 | Very low | 36.2 | Very low | 67 Ų | 67 | 145.8 Ų | 145.8 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | 140.1 | 134.8 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 281 | L | 34.9 | Very low | 36 | Very low | 163 Ų | 163 | 144.8 Ų | 144.8 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | | | trans | 64.6 | 143.3 | 166.4 | -71.2 | 98 | 0 | 0 | 0 | 118.3 | | |
| 282 | M | 31.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | cis | -166.2 | 171.1 | -17.3 | -118.1 | -131.1 | -61.3 | 0 | 0 | 110.7 | | |
| 283 | H | 37 | Very low | 35.4 | Very low | 153 Ų | 153 | 141.5 Ų | 141.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | 73.4 | 147.1 | 169.6 | -67.4 | -78 | 0 | 0 | 0 | 118.9 | | |
| 284 | H | 28.9 | Very low | 35 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | | | cis | -174.8 | 134.3 | -19 | -173.9 | -131.3 | 0 | 0 | 0 | 111 | | |
| 285 | L | 35.8 | Very low | 35.1 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | 63.8 | 155.7 | 169.8 | -57.3 | 174.2 | 0 | 0 | 0 | 117.7 | | |
| 286 | T | 40.8 | Very low | 35.4 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | cis | -127.5 | 171.7 | 12.7 | 43.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 287 | E | 32.9 | Very low | 35.3 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | | | trans | -91.9 | 160.4 | -170.2 | -63.2 | 156.3 | 89.7 | 0 | 0 | 115.8 | | |
| 288 | D | 38.9 | Very low | 35.4 | Very low | 164 Ų | 164 | 147.3 Ų | 147.3 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | | | trans | 173.4 | 82.1 | 144.2 | -95 | -28.7 | 0 | 0 | 0 | 107.8 | | |
| 289 | H | 35.5 | Very low | 35.4 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | | 59.7 | 101 | 84 | -159.5 | 73.8 | 0 | 0 | 0 | 116.7 | | |
| 290 | L | 42.9 | Very low | 35.1 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | | -174 | 112.7 | 121.1 | -100.2 | 167.4 | 0 | 0 | 0 | 111.4 | | |
| 291 | D | 33.7 | Very low | 35.1 | Very low | 139 Ų | 139 | 145 Ų | 145 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | | | trans | -91.5 | 153.9 | 171.5 | -88.5 | -67.8 | 0 | 0 | 0 | 111.8 | | |
| 292 | L | 42.8 | Very low | 35 | Very low | 171 Ų | 171 | 146.1 Ų | 146.1 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | | | trans | -146.1 | 75.1 | 149 | -144.5 | 78 | 0 | 0 | 0 | 113.9 | | |
| 293 | N | 34.3 | Very low | 35 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | | 23.8 | 119.5 | 129.3 | -174.7 | 34.1 | 0 | 0 | 0 | 119.1 | | |
| 294 | N | 33.7 | Very low | 34.9 | Very low | 157 Ų | 157 | 144 Ų | 144 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | | -153.2 | 145.6 | 118.4 | -151.3 | 0.3 | 0 | 0 | 0 | 112.3 | | |
| 295 | A | 38.4 | Very low | 35.3 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 61% | 0.612 | 79% | 0.789 | S | S | * | * | | | trans | -112.3 | 148.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 296 | Q | 37.1 | Very low | 35.1 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -153.4 | 167.6 | 156.3 | -109 | 159.1 | 24.7 | 0 | 0 | 111.1 | | |
| 297 | R | 31.5 | Very low | 34.9 | Very low | 211 Ų | 211 | 147 Ų | 147 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -131.6 | 157.1 | -133.4 | -160.6 | -165.9 | 174.3 | -124.3 | 2.8 | 113.5 | | |
| 298 | L | 34.7 | Very low | 35.2 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | | | trans | 85.8 | 136.4 | 162.8 | -60.3 | 162.3 | 0 | 0 | 0 | 119.2 | | |
| 299 | G | 31.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | | 126.2 | 47.9 | 122.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 300 | V | 30.4 | Very low | 35.8 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | | | trans | 13 | 109.9 | 147 | -177.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 301 | S | 30.8 | Very low | 35.4 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | | 164.2 | 132.4 | 122.6 | -80.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 302 | Q | 32.8 | Very low | 35.5 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | 45.7 | 106.7 | 138.5 | -60.7 | -109.8 | 62.7 | 0 | 0 | 121.3 | | |
| 303 | S | 30.6 | Very low | 35.3 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | | 179.3 | 119.5 | 120.4 | 55.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 304 | T | 33.9 | Very low | 35.6 | Very low | 143 Ų | 143 | 136.8 Ų | 136.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | -119.9 | 119.1 | 167.8 | 42.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 305 | H | 38.5 | Very low | 35.8 | Very low | 182 Ų | 182 | 133.9 Ų | 133.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -84.3 | 122 | 175.9 | -79.6 | -86.9 | 0 | 0 | 0 | 111 | | |
| 306 | S | 32.3 | Very low | 36 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | | | trans | -78 | 138.3 | 168.3 | -57 | 0 | 0 | 0 | 0 | 110.7 | | |
| 307 | L | 35.1 | Very low | 36.3 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | | | trans | -132 | 137.3 | 157 | -77.1 | 176.9 | 0 | 0 | 0 | 110 | | |
| 308 | T | 39.1 | Very low | 36.5 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -109.2 | 156.9 | -163.2 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 309 | T | 41 | Very low | 36.7 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | | | trans | -59.6 | 159.7 | 169.3 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | | |
| 310 | P | 46 | Very low | 36.9 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | | -124.5 | 136.5 | 126 | 34.6 | -30.3 | 0 | 0 | 0 | 113.3 | | |
| 311 | V | 35.5 | Very low | 37 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -83.7 | 139.9 | 162.6 | 167.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 312 | V | 35.9 | Very low | 37.2 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -111.2 | 117.6 | 172.3 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | V314 | V312-V314 HydrophobicContact CG1-CG1 4.4Š|
| 313 | S | 37.7 | Very low | 37.2 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -92.9 | 137.6 | 162.7 | -58 | 0 | 0 | 0 | 0 | 109.2 | | |
| 314 | V | 42.2 | Very low | 37.7 | Very low | 140 Ų | 140 | 133.7 Ų | 133.7 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -110.2 | 116.6 | 169.5 | -79.5 | 0 | 0 | 0 | 0 | 109.7 | V312 | V312-V314 HydrophobicContact CG1-CG1 4.4Š|
| 315 | A | 37.8 | Very low | 38.2 | Very low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -95.3 | 153.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 316 | T | 40.9 | Very low | 37.9 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -62.1 | 155.9 | 178 | -5.4 | 0 | 0 | 0 | 0 | 113.2 | | |
| 317 | P | 44 | Very low | 37.8 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -125.8 | 153 | 135.1 | 35.9 | -28.6 | 0 | 0 | 0 | 112.6 | | |
| 318 | S | 36.4 | Very low | 37.6 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | trans | -129.6 | 131.6 | 170.3 | -59.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 319 | L | 37.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 98% | 0.979 | 80% | 0.804 | S | S | * | * | | | trans | -143.1 | 165.3 | 161.8 | -81.5 | -176.7 | 0 | 0 | 0 | 110 | | |
| 320 | L | 35.8 | Very low | 37.2 | Very low | 158 Ų | 158 | 133.7 Ų | 133.7 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | trans | -131.9 | 144.4 | -144.1 | -143.6 | 167.7 | 0 | 0 | 0 | 112 | | |
| 321 | S | 34.2 | Very low | 36.5 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | | | trans | 70.7 | 137.1 | 159.7 | -125.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 322 | Q | 34.8 | Very low | 36.5 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | cis | -161.6 | 169.2 | 39.2 | -67.3 | -170.4 | -23.5 | 0 | 0 | 111.6 | | |
| 323 | G | 31.8 | Very low | 36.2 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | 127.8 | 49.3 | 141.2 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 324 | L | 40.8 | Very low | 35.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 89% | 0.885 | 82% | 0.82 | S | S | * | * | | | trans | 50.8 | -168.7 | 153.2 | -52.6 | 176.3 | 0 | 0 | 0 | 118.1 | | |
| 325 | P | 45.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 70% | 0.695 | 81% | 0.813 | S | S | * | * | | | | -126.4 | 148.8 | -107.9 | 35.9 | -15.8 | 0 | 0 | 0 | 116.2 | | |
| 326 | F | 31.4 | Very low | 35.3 | Very low | 215 Ų | 215 | 140.5 Ų | 140.5 | 94% | 0.943 | 81% | 0.811 | S | S | * | * | | | trans | -132 | 150.9 | 168.3 | -79.4 | -75.6 | 0 | 0 | 0 | 114 | | |
| 327 | S | 30.9 | Very low | 35 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -74 | 146.6 | -165.1 | -174.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 328 | S | 30 | Very low | 34.6 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | | | trans | -92.7 | 126.8 | 170.5 | 57.4 | 0 | 0 | 0 | 0 | 112 | | |
| 329 | M | 37.4 | Very low | 34.6 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | | | trans | -110.1 | 136.6 | 166 | -80.7 | 166.4 | 145.5 | 0 | 0 | 110.3 | | |
| 330 | P | 35.7 | Very low | 34.5 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -90.7 | 121.8 | 173.5 | 33.2 | -30.1 | 0 | 0 | 0 | 111.5 | | |
| 331 | T | 31.2 | Very low | 34.4 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | | | trans | -89.4 | 113.3 | 168.8 | -61.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 332 | A | 34.1 | Very low | 34.6 | Very low | 90 Ų | 90 | 144.1 Ų | 144.1 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | | | trans | -87.2 | 145.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 333 | Y | 31.2 | Very low | 34.5 | Very low | 228 Ų | 228 | 143.8 Ų | 143.8 | 89% | 0.894 | 81% | 0.807 | S | S | * | * | | | trans | -68.2 | 137.9 | 172.8 | -84.3 | -102.2 | 0 | 0 | 0 | 111.2 | | |
| 334 | N | 29.7 | Very low | 34.7 | Very low | 147 Ų | 147 | 147.7 Ų | 147.7 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | | | trans | -135.2 | 159 | 155.5 | -155.1 | -72.8 | 0 | 0 | 0 | 109 | | |
| 335 | T | 34 | Very low | 34.7 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | | | trans | -138.4 | 121.1 | -174.2 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 336 | D | 34.3 | Very low | 34 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | trans | -68.7 | 128.9 | -168.9 | -53.6 | -99.5 | 0 | 0 | 0 | 113.6 | | |
| 337 | Y | 35.5 | Very low | 34.2 | Very low | 229 Ų | 229 | 143 Ų | 143 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | trans | -145.3 | 111.2 | 148.6 | -95.6 | -75.1 | 0 | 0 | 0 | 109.2 | | |
| 338 | Q | 34.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -100.6 | 132.5 | 173.8 | -83.4 | -87.7 | 52.1 | 0 | 0 | 110.3 | | |
| 339 | L | 36.3 | Very low | 34.8 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -138 | 103.7 | 161.3 | -80 | 179 | 0 | 0 | 0 | 110.8 | | |
| 340 | T | 35.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | 41.6 | 92.3 | 130.9 | -43 | 0 | 0 | 0 | 0 | 119.3 | | |
| 341 | S | 34.5 | Very low | 34 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | 59.5 | 120.8 | 136.1 | 68 | 0 | 0 | 0 | 0 | 122.6 | | |
| 342 | A | 37.4 | Very low | 34 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | 66.6 | 102.9 | 135.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 343 | E | 33.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | | -161.9 | 174.6 | 113.9 | -104.6 | -159.6 | 128.8 | 0 | 0 | 110.5 | | |
| 344 | L | 35.3 | Very low | 34.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | | | trans | 79.7 | 74.1 | 170.3 | -49.9 | -176.1 | 0 | 0 | 0 | 118.7 | | |
| 345 | S | 40.1 | Very low | 34.7 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | | | trans | -81.8 | 105.9 | 143.7 | -65.6 | 0 | 0 | 0 | 0 | 110 | | |
| 346 | S | 31.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | | | trans | -177.1 | 125.2 | 151.3 | 25 | 0 | 0 | 0 | 0 | 114.9 | | |
| 347 | L | 35.2 | Very low | 34.5 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | 69.7 | 163.4 | 156.3 | -53.1 | 174.1 | 0 | 0 | 0 | 117.1 | | |
| 348 | P | 41.8 | Very low | 34.2 | Very low | 115 Ų | 115 | 131.9 Ų | 131.9 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | | | | -129.7 | 175.2 | -70.8 | 36.3 | -20 | 0 | 0 | 0 | 112.9 | | |
| 349 | A | 31.7 | Very low | 34 | Very low | 95 Ų | 95 | 126.9 Ų | 126.9 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | | | trans | -62.1 | 141.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 350 | F | 28.7 | Very low | 33.7 | Very low | 215 Ų | 215 | 126.8 Ų | 126.8 | 94% | 0.943 | 81% | 0.809 | S | S | * | * | | | trans | -132.3 | 147 | 156.9 | -148.4 | -91 | 0 | 0 | 0 | 109.6 | | |
| 351 | S | 28.1 | Very low | 33.6 | Very low | 89 Ų | 89 | 127.6 Ų | 127.6 | 62% | 0.622 | 81% | 0.814 | S | S | * | * | | | trans | -115.1 | 139.8 | -153.3 | -47.1 | 0 | 0 | 0 | 0 | 113.9 | | |
| 352 | S | 31.7 | Very low | 33.5 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | 74.3 | 172.8 | 147 | -49.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 353 | P | 46.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 129 Ų | 129 | 86% | 0.857 | 82% | 0.818 | S | S | * | * | | | | -136.9 | -174.9 | -72.1 | 41.4 | -25.4 | 0 | 0 | 0 | 112.8 | | |
| 354 | G | 29.3 | Very low | 33.2 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -173.1 | 57 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 355 | G | 33.5 | Very low | 33.1 | Very low | 76 Ų | 76 | 132.7 Ų | 132.7 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -92.6 | 162.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 356 | L | 33.3 | Very low | 33 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 94% | 0.937 | 82% | 0.819 | S | S | * | * | | | trans | -60.1 | 147.1 | 176 | -53.7 | 164.2 | 0 | 0 | 0 | 112.5 | | |
| 357 | S | 29.9 | Very low | 33.7 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | | | | -173.5 | 167.9 | 120.4 | -153 | 0 | 0 | 0 | 0 | 113.9 | | |
| 358 | L | 30.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | | | trans | -80.2 | 143.7 | 179.3 | -128.7 | 70.9 | 0 | 0 | 0 | 112.7 | | |
| 359 | G | 29.8 | Very low | 33.2 | Very low | 71 Ų | 71 | 141 Ų | 141 | 73% | 0.732 | 83% | 0.83 | S | S | * | * | | | | 75.5 | 131.2 | 127.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 360 | N | 30.9 | Very low | 33.7 | Very low | 156 Ų | 156 | 142 Ų | 142 | 83% | 0.834 | 83% | 0.829 | S | S | * | * | | | trans | 92.6 | 126.2 | 148.1 | -90.7 | 11.4 | 0 | 0 | 0 | 123.1 | | |
| 361 | V | 32 | Very low | 33.8 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | | | trans | 73.2 | 144.3 | 148.3 | -58.5 | 0 | 0 | 0 | 0 | 122.9 | | |
| 362 | T | 32.7 | Very low | 34.2 | Very low | 134 Ų | 134 | 146 Ų | 146 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | | | trans | -92.8 | 145 | -163.1 | -20 | 0 | 0 | 0 | 0 | 113.6 | | |
| 363 | A | 31.8 | Very low | 34.7 | Very low | 95 Ų | 95 | 146.7 Ų | 146.7 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | | | trans | -166.7 | 153.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 364 | W | 32.5 | Very low | 34 | Very low | 229 Ų | 229 | 149.9 Ų | 149.9 | 87% | 0.867 | 85% | 0.845 | S | S | * | * | | | trans | -74.4 | 169.5 | 174 | -57.6 | 82.1 | 0 | 0 | 0 | 110.6 | | |
| 365 | Q | 33.3 | Very low | 34.5 | Very low | 184 Ų | 184 | 154.8 Ų | 154.8 | 86% | 0.86 | 85% | 0.846 | S | S | * | * | | | cis | -164.6 | -160.7 | 38.8 | -153.9 | 144.1 | 36.2 | 0 | 0 | 113.1 | | |
| 366 | Q | 38.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 157.4 Ų | 157.4 | 84% | 0.841 | 85% | 0.849 | S | S | * | * | | | trans | -107.2 | -164.8 | -152.8 | -138.1 | -169.2 | 21.3 | 0 | 0 | 114.3 | | |
| 367 | P | 47.3 | Very low | 35.1 | Very low | 106 Ų | 106 | 157.9 Ų | 157.9 | 69% | 0.688 | 85% | 0.847 | S | S | * | * | | | | -119 | 176.8 | -121.2 | 43.1 | -27 | 0 | 0 | 0 | 116.8 | | |
| 368 | Q | 32 | Very low | 35.7 | Very low | 205 Ų | 205 | 157.4 Ų | 157.4 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | | | trans | -154.5 | 174 | 155.9 | -118.8 | 177.6 | 39.3 | 0 | 0 | 115.4 | | |
| 369 | Q | 33.4 | Very low | 36.3 | Very low | 190 Ų | 190 | 155.9 Ų | 155.9 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | | | trans | -110.4 | 179.4 | -149.9 | -103.9 | -169.5 | -15 | 0 | 0 | 115.4 | | |
| 370 | P | 42 | Very low | 36.6 | Very low | 117 Ų | 117 | 161.3 Ų | 161.3 | 76% | 0.76 | 85% | 0.847 | S | S | * | * | | | trans | -103.2 | 177.1 | -151.6 | 41.7 | -39.5 | 0 | 0 | 0 | 116.5 | | |
| 371 | Q | 32 | Very low | 37.2 | Very low | 200 Ų | 200 | 162.8 Ų | 162.8 | 94% | 0.935 | 85% | 0.849 | S | S | * | * | | | trans | -138.6 | 157.8 | 164.6 | -125.5 | 174.7 | 14.5 | 0 | 0 | 113.4 | | |
| 372 | Q | 35.3 | Very low | 37.5 | Very low | 187 Ų | 187 | 165.3 Ų | 165.3 | 87% | 0.874 | 85% | 0.852 | S | S | * | * | | | trans | -98.7 | 167.2 | -161.2 | -94.7 | -178.6 | -17.1 | 0 | 0 | 115.3 | | |
| 373 | P | 42 | Very low | 38 | Very low | 128 Ų | 128 | 164.6 Ų | 164.6 | 83% | 0.831 | 85% | 0.85 | S | S | * | * | | | trans | -94.4 | 170.3 | -167.7 | 38.4 | -37.2 | 0 | 0 | 0 | 115.1 | | |
| 374 | Q | 33.1 | Very low | 39 | Very low | 199 Ų | 199 | 165.7 Ų | 165.7 | 93% | 0.93 | 85% | 0.848 | S | S | * | * | | | trans | -127.5 | 139.4 | 177.4 | -146.8 | 171.6 | 50 | 0 | 0 | 111.6 | | |
| 375 | Q | 38.6 | Very low | 39.2 | Very low | 187 Ų | 187 | 163.8 Ų | 163.8 | 87% | 0.874 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -91 | 152 | -176.8 | -71.2 | 178.1 | -37.5 | 0 | 0 | 113.5 | | |
| 376 | P | 40.9 | Very low | 39.8 | Very low | 130 Ų | 130 | 159.7 Ų | 159.7 | 84% | 0.844 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -96 | 150.9 | 158.3 | -5.7 | 25.9 | 0 | 0 | 0 | 113.9 | | |
| 377 | Q | 38.1 | Very low | 39.7 | Very low | 190 Ų | 190 | 159.3 Ų | 159.3 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 163.2 | 178.2 | -71.8 | 178.1 | -40.2 | 0 | 0 | 113.9 | | |
| 378 | P | 44.1 | Very low | 39.3 | Very low | 114 Ų | 114 | 162.3 Ų | 162.3 | 74% | 0.74 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 154.2 | 175.5 | 38 | -33.1 | 0 | 0 | 0 | 114.3 | | |
| 379 | P | 41.6 | Very low | 39.9 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 157.2 | 166.2 | -12.3 | 30.6 | 0 | 0 | 0 | 114.7 | | |
| 380 | Q | 37.7 | Very low | 40 | Very low | 186 Ų | 186 | 157.5 Ų | 157.5 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 167.9 | -172.1 | -69.2 | 177 | -12.8 | 0 | 0 | 115.3 | | |
| 381 | Q | 43.5 | Very low | 40.2 | Very low | 187 Ų | 187 | 157.5 Ų | 157.5 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 152.7 | 168.9 | -59.9 | 174.1 | 5 | 0 | 0 | 112 | | |
| 382 | Q | 37.4 | Very low | 40.8 | Very low | 188 Ų | 188 | 157.1 Ų | 157.1 | 88% | 0.879 | 83% | 0.827 | S | S | * | * | | | trans | -148.3 | 162.5 | 164.4 | -91.5 | -158.2 | -12.5 | 0 | 0 | 112.5 | | |
| 383 | P | 42.6 | Very low | 40.9 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 78% | 0.779 | 83% | 0.828 | S | S | * | * | | | trans | -109.5 | -178.6 | -144.3 | 4.9 | 19.4 | 0 | 0 | 0 | 117.5 | | |
| 384 | P | 53.5 | Low | 41 | Very low | 117 Ų | 117 | 157.2 Ų | 157.2 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | | | trans | -111.8 | 164.4 | -168.4 | 41.2 | -34.5 | 0 | 0 | 0 | 117.1 | | |
| 385 | Q | 37.3 | Very low | 41.4 | Very low | 189 Ų | 189 | 157 Ų | 157 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | | | trans | 163.5 | 171.6 | 150.2 | -95.6 | -173.7 | 24.4 | 0 | 0 | 111.8 | | |
| 386 | P | 45.2 | Very low | 41.3 | Very low | 99 Ų | 99 | 157.2 Ų | 157.2 | 64% | 0.643 | 83% | 0.827 | S | S | * | * | | | | -142.3 | 168.1 | -53.3 | 41.1 | -23.1 | 0 | 0 | 0 | 117.3 | | |
| 387 | Q | 36.3 | Very low | 41.4 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 80% | 0.799 | 83% | 0.825 | S | S | * | * | | | trans | 66.4 | 153.8 | 151.1 | -92 | 178.1 | 46.7 | 0 | 0 | 121.1 | | |
| 388 | Q | 39 | Very low | 41.3 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | | | cis | -152.7 | -177.7 | 20.2 | -116.4 | -178.9 | 33.8 | 0 | 0 | 113.6 | | |
| 389 | P | 44.4 | Very low | 41.1 | Very low | 109 Ų | 109 | 160.6 Ų | 160.6 | 71% | 0.708 | 83% | 0.832 | S | S | * | * | | | trans | -122.5 | -169.7 | -155.5 | 47.2 | -41.9 | 0 | 0 | 0 | 120.7 | | |
| 390 | Q | 35.3 | Very low | 41.1 | Very low | 185 Ų | 185 | 159.6 Ų | 159.6 | 86% | 0.864 | 83% | 0.826 | S | S | * | * | | | trans | 90.2 | 158.5 | 161 | -82.9 | -167.7 | 4.1 | 0 | 0 | 120.6 | | |
| 391 | P | 46 | Very low | 41.2 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | cis | -129.2 | -179.5 | -4.8 | 36.3 | -17.2 | 0 | 0 | 0 | 116.6 | | |
| 392 | Q | 44.2 | Very low | 40.8 | Very low | 193 Ų | 193 | 157.2 Ų | 157.2 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | -100.7 | 157.8 | 172.7 | -76.1 | 175.8 | -30.8 | 0 | 0 | 113.3 | | |
| 393 | Q | 37.3 | Very low | 40.7 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | | | trans | -140.8 | 161.3 | 165 | -88.7 | -161.6 | -6.3 | 0 | 0 | 112.1 | | |
| 394 | P | 44.2 | Very low | 40.2 | Very low | 124 Ų | 124 | 160.2 Ų | 160.2 | 81% | 0.805 | 83% | 0.829 | S | S | * | * | | | trans | -106.8 | 165 | -146 | 19.9 | -2.1 | 0 | 0 | 0 | 117.1 | | |
| 395 | Q | 41.5 | Very low | 39.1 | Very low | 195 Ų | 195 | 158.9 Ų | 158.9 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -80.2 | 150.2 | 172.7 | -72.1 | 175.9 | -24.8 | 0 | 0 | 113.1 | | |
| 396 | Q | 36.8 | Very low | 38.7 | Very low | 190 Ų | 190 | 158.8 Ų | 158.8 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -132 | 155.6 | 160.9 | -88 | -168.2 | -2.6 | 0 | 0 | 110.9 | | |
| 397 | P | 42.9 | Very low | 38 | Very low | 124 Ų | 124 | 161.3 Ų | 161.3 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | | | trans | -92.4 | 158.9 | -164.3 | 36.5 | -36.2 | 0 | 0 | 0 | 114.3 | | |
| 398 | Q | 36.3 | Very low | 37.7 | Very low | 199 Ų | 199 | 159.4 Ų | 159.4 | 93% | 0.93 | 83% | 0.829 | S | S | * | * | | | trans | -123.9 | 146.6 | 167 | -97.2 | -177 | -2.1 | 0 | 0 | 113 | | |
| 399 | Q | 39.3 | Very low | 37.9 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 164.4 | -174.6 | -78 | -179.7 | -18.4 | 0 | 0 | 112.7 | | |
| 400 | P | 43 | Very low | 37.3 | Very low | 114 Ų | 114 | 158 Ų | 158 | 74% | 0.74 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 150.4 | -178.7 | 33.4 | -36.3 | 0 | 0 | 0 | 113.3 | | |
| 401 | P | 40.3 | Very low | 37.1 | Very low | 128 Ų | 128 | 154.8 Ų | 154.8 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 145.1 | 170.6 | 32 | -32.8 | 0 | 0 | 0 | 112.9 | | |
| 402 | Q | 33.8 | Very low | 36.6 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 171.9 | 174.6 | -73.9 | -171.8 | -10 | 0 | 0 | 113 | | |
| 403 | Q | 36.2 | Very low | 36 | Very low | 181 Ų | 181 | 152.8 Ų | 152.8 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.2 | 173.4 | -61.8 | 167.7 | -12.7 | 0 | 0 | 113.4 | | |
| 404 | Q | 30.9 | Very low | 35.8 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 82% | 0.823 | S | S | * | * | | | trans | -148.8 | 135.1 | 132.9 | -130.9 | 173.2 | 26.7 | 0 | 0 | 115 | | |
| 405 | S | 30.6 | Very low | 35.2 | Very low | 90 Ų | 90 | 153.1 Ų | 153.1 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | | | trans | -67.9 | 160.3 | -172.3 | -32.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 406 | H | 28.3 | Very low | 34.9 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 86% | 0.861 | 82% | 0.822 | S | S | * | * | | | trans | -144.3 | 123.8 | 138.2 | 11.6 | -70.7 | 0 | 0 | 0 | 110.4 | | |
| 407 | L | 31.6 | Very low | 35.4 | Very low | 153 Ų | 153 | 148.3 Ų | 148.3 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | | | trans | -83.1 | 173.5 | 162.6 | -59.5 | 121.9 | 0 | 0 | 0 | 107.7 | | |
| 408 | V | 30.6 | Very low | 34.7 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | | | cis | -165.8 | -171.4 | 22.8 | -126.9 | 0 | 0 | 0 | 0 | 105.6 | | |
| 409 | P | 42.8 | Very low | 34.7 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 82% | 0.815 | S | S | * | * | | | cis | -126.3 | 167 | -36.7 | 34.9 | -19.3 | 0 | 0 | 0 | 112.8 | | |
| 410 | V | 31.6 | Very low | 34.8 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -97.9 | 139.1 | 157.9 | 174.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 411 | S | 30.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -118.8 | 136.7 | 175.1 | -168 | 0 | 0 | 0 | 0 | 111.2 | | |
| 412 | L | 35.7 | Very low | 34.7 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | | | trans | -128.5 | 128.9 | 174.3 | -78.8 | 170.2 | 0 | 0 | 0 | 108.4 | | |
| 413 | S | 32.6 | Very low | 34.6 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | 177.9 | 124.6 | 139.1 | -82.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 414 | N | 32.3 | Very low | 34.5 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | trans | 36.4 | 128.5 | 142.8 | -60.5 | -6.2 | 0 | 0 | 0 | 122 | | |
| 415 | L | 31 | Very low | 34.5 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | | | | -169.6 | 141 | 105.5 | -96.9 | 159.2 | 0 | 0 | 0 | 112.8 | | |
| 416 | I | 36.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -117.7 | 147.1 | 171 | -80.3 | 172 | 0 | 0 | 0 | 104.5 | | |
| 417 | P | 46.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 128.2 Ų | 128.2 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | cis | -141.4 | 172.3 | 39.9 | 30 | -6.2 | 0 | 0 | 0 | 118.3 | | |
| 418 | G | 28.6 | Very low | 34.8 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 167.8 | 103.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 419 | S | 35.3 | Very low | 35 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | trans | -86.2 | 176.5 | 174.8 | -32.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 420 | P | 42.8 | Very low | 34.5 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | | | cis | -129.9 | -179.6 | -13.3 | 38.3 | -20.2 | 0 | 0 | 0 | 114.7 | | |
| 421 | L | 35.8 | Very low | 34.5 | Very low | 162 Ų | 162 | 129 Ų | 129 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -64.1 | 151.8 | 173.2 | -83.1 | 154.7 | 0 | 0 | 0 | 113.7 | | |
| 422 | P | 44 | Very low | 34.9 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | | | | -151.8 | 147.9 | 84.8 | 38.6 | -19.2 | 0 | 0 | 0 | 119.3 | | |
| 423 | H | 32.9 | Very low | 34.8 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | | | trans | 54.6 | 145.8 | 133.1 | -144.1 | 33.2 | 0 | 0 | 0 | 124.3 | | |
| 424 | V | 33.6 | Very low | 35.5 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | 83.6 | 109.2 | 158.9 | -167.3 | 0 | 0 | 0 | 0 | 120.7 | | |
| 425 | G | 30.3 | Very low | 35.7 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | | | | 99.1 | 138.2 | 114.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 426 | A | 33.5 | Very low | 36.2 | Very low | 108 Ų | 108 | 131 Ų | 131 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | trans | 65 | 157.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 427 | A | 33.7 | Very low | 36.3 | Very low | 86 Ų | 86 | 128.7 Ų | 128.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | cis | -174.3 | 143.6 | -29.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 428 | L | 29.6 | Very low | 35.9 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -145.5 | 95.7 | 165.3 | -78.6 | -175.7 | 0 | 0 | 0 | 113.8 | | |
| 429 | T | 34.3 | Very low | 36.2 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | 31.5 | 121.6 | 138.9 | 56.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 430 | V | 33.7 | Very low | 36.8 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | | | trans | -86.2 | 134.2 | 162.6 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | T432 | V430-T432 HydrophobicContact CG1-CG2 4.44Š|
| 431 | T | 31.6 | Very low | 36.7 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -94.2 | 130.1 | 169.6 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 432 | T | 38.6 | Very low | 37 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | | | trans | -104.2 | 141.5 | -175.3 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | V430 | V430-T432 HydrophobicContact CG1-CG2 4.44Š|
| 433 | H | 32.5 | Very low | 37.3 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | | | trans | -122.3 | 116.7 | 162.3 | -75.5 | -60.7 | 0 | 0 | 0 | 109.2 | | |
| 434 | P | 47.1 | Very low | 37.6 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -87.6 | 152 | 175.2 | 34.1 | -32.1 | 0 | 0 | 0 | 111.5 | | |
| 435 | H | 37.8 | Very low | 38 | Very low | 171 Ų | 171 | 133.3 Ų | 133.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | | | trans | 108.2 | 72.7 | 165.4 | -157.2 | -86.4 | 0 | 0 | 0 | 117.8 | | |
| 436 | I | 41.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | | | trans | -130.8 | 123.7 | 147.5 | 45.3 | 172.3 | 0 | 0 | 0 | 109.6 | I438 | I436-I438 PolarHBondContact O-N 3.4Š|
| 437 | S | 39 | Very low | 38.8 | Very low | 108 Ų | 108 | 142.5 Ų | 142.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -78.4 | 118 | 177.3 | -75.2 | 0 | 0 | 0 | 0 | 110.5 | K439 | S437-K439 PolarHBondContact O-N 3.03Å; S437-K439 VanDerWaalsContact O-N 3.11Å |
| 438 | I | 38.1 | Very low | 38.9 | Very low | 164 Ų | 164 | 147 Ų | 147 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | | | trans | -77.2 | 97.1 | 170.9 | -57.7 | 175.4 | 0 | 0 | 0 | 108 | I436 S440 | I436-I438 PolarHBondContact O-N 3.4Å; I438-S440 PolarHBondContact O-N 3.07Å |
| 439 | K | 34 | Very low | 39.6 | Very low | 198 Ų | 198 | 150.7 Ų | 150.7 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -73.9 | 111.8 | 169.4 | 179.3 | 179.3 | 171.5 | -173.8 | 0 | 108.3 | S437 | S437-K439 PolarHBondContact O-N 3.03Å; S437-K439 VanDerWaalsContact O-N 3.11Å |
| 440 | S | 47.8 | Very low | 39.8 | Very low | 106 Ų | 106 | 150 Ų | 150 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 134.9 | 176.7 | 36.2 | 0 | 0 | 0 | 0 | 111.9 | I438 | I438-S440 PolarHBondContact O-N 3.07Š|
| 441 | E | 40.6 | Very low | 40.4 | Very low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 149.9 | 167.4 | -104.5 | -168.4 | 91.6 | 0 | 0 | 111.3 | | |
| 442 | P | 42.3 | Very low | 41.3 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -80 | 135.6 | 178.9 | 32.3 | -32.9 | 0 | 0 | 0 | 112 | S444 | P442-S444 PolarHBondContact O-N 3.38Š|
| 443 | V | 51.7 | Low | 41.8 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 125.8 | 171.7 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 444 | S | 37.3 | Very low | 43 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 147.1 | 174.9 | -71.2 | 0 | 0 | 0 | 0 | 111.3 | P442 | P442-S444 PolarHBondContact O-N 3.38Š|
| 445 | P | 42.6 | Very low | 43.3 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 153.2 | -163.7 | 31.2 | -36.6 | 0 | 0 | 0 | 114.3 | R447 | P445-R447 PolarHBondContact O-N 2.96Š|
| 446 | S | 40.1 | Very low | 43.6 | Very low | 123 Ų | 123 | 142.9 Ų | 142.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 119.4 | 174.1 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | E448 | S446-E448 PolarHBondContact O-N 3.12Š|
| 447 | R | 40.4 | Very low | 43.5 | Very low | 247 Ų | 247 | 139.6 Ų | 139.6 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | | | trans | -84.9 | 106.9 | 175.8 | 176.8 | 169.7 | 156.7 | 178.8 | -7.7 | 110.4 | P445 | P445-R447 PolarHBondContact O-N 2.96Š|
| 448 | E | 36.5 | Very low | 43.7 | Very low | 179 Ų | 179 | 141 Ų | 141 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -62.3 | 158.3 | 175.8 | -68.1 | -159.9 | 100 | 0 | 0 | 113.5 | S446 | S446-E448 PolarHBondContact O-N 3.12Š|
| 449 | R | 43.9 | Very low | 43.7 | Very low | 244 Ų | 244 | 142.2 Ų | 142.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | trans | -96.6 | 102.7 | -168.6 | -170 | -175.8 | -148.7 | -131.4 | 6.2 | 111.2 | | |
| 450 | S | 38.4 | Very low | 43.8 | Very low | 112 Ų | 112 | 138.8 Ų | 138.8 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 143 | 170.7 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 451 | P | 45.9 | Very low | 43.3 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 157.3 | -177 | 32.8 | -35.8 | 0 | 0 | 0 | 113.3 | | |
| 452 | A | 51.4 | Low | 43 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 153.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 453 | P | 49.3 | Very low | 42.7 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 155.4 | 178 | 31.5 | -35.9 | 0 | 0 | 0 | 112.9 | | |
| 454 | P | 56.4 | Low | 42 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 153.7 | -179.4 | 32.1 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 455 | P | 54.7 | Low | 42 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 158.8 | 177 | 32.7 | -35.8 | 0 | 0 | 0 | 112.8 | | |
| 456 | P | 44.5 | Very low | 42.1 | Very low | 123 Ų | 123 | 140.6 Ų | 140.6 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72 | 149.3 | 179.6 | 30.5 | -35.5 | 0 | 0 | 0 | 112.7 | | |
| 457 | A | 38.8 | Very low | 41.8 | Very low | 93 Ų | 93 | 138.5 Ų | 138.5 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -74 | 139.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 458 | V | 42.6 | Very low | 41.4 | Very low | 139 Ų | 139 | 135 Ų | 135 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -105.2 | 125.7 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 459 | F | 38.8 | Very low | 41.2 | Very low | 189 Ų | 189 | 130.1 Ų | 130.1 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 139.6 | 173.8 | -69.2 | -90 | 0 | 0 | 0 | 110.7 | | |
| 460 | P | 36.9 | Very low | 40.8 | Very low | 126 Ų | 126 | 126.5 Ų | 126.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 129.9 | 175.5 | 30.9 | -32.6 | 0 | 0 | 0 | 111.1 | | |
| 461 | A | 36.4 | Very low | 40.6 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 144 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 462 | A | 35 | Very low | 40.2 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 87% | 0.868 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 149 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 463 | R | 34.3 | Very low | 40.5 | Very low | 214 Ų | 214 | 128 Ų | 128 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 131.5 | 177.2 | -169.1 | -174 | -158.5 | -126.3 | 9 | 109.2 | | |
| 464 | P | 38.1 | Very low | 39.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 142.4 | 168 | -8.5 | 26 | 0 | 0 | 0 | 111.1 | | |
| 465 | E | 37 | Very low | 38.4 | Very low | 156 Ų | 156 | 125.5 Ų | 125.5 | 73% | 0.729 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 158.7 | 172.4 | -76.1 | -73.8 | 98 | 0 | 0 | 112.1 | | |
| 466 | P | 44.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 150.6 | 175.3 | 34.7 | -33.8 | 0 | 0 | 0 | 112 | | |
| 467 | G | 34.2 | Very low | 36.5 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -124.1 | 124.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 468 | D | 32.7 | Very low | 36.2 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | | | trans | -72.2 | 150.1 | 173.7 | -64.9 | -68.8 | 0 | 0 | 0 | 112.1 | | |
| 469 | G | 31.5 | Very low | 35.7 | Very low | 76 Ų | 76 | 129.2 Ų | 129.2 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | trans | 177.9 | 54.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 470 | L | 35.8 | Very low | 35.5 | Very low | 169 Ų | 169 | 125.8 Ų | 125.8 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | 22.9 | 141.5 | 148.2 | -61.7 | 172.3 | 0 | 0 | 0 | 123.2 | | |
| 471 | S | 33.7 | Very low | 35.3 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | 104.2 | 140.7 | 143 | -64.3 | 0 | 0 | 0 | 0 | 120.5 | | |
| 472 | S | 37 | Very low | 35.2 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | | | trans | -108.3 | -153.7 | -166.6 | -50 | 0 | 0 | 0 | 0 | 112.2 | | |
| 473 | P | 58.6 | Low | 35.4 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | | | | -124.7 | 164.5 | -114.6 | 36.7 | -16.9 | 0 | 0 | 0 | 116.6 | | |
| 474 | A | 32.9 | Very low | 35.5 | Very low | 105 Ų | 105 | 128.8 Ų | 128.8 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | trans | -160.8 | 155.5 | 161 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 475 | G | 29.4 | Very low | 35.6 | Very low | 78 Ų | 78 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | cis | 145 | 88.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 476 | G | 27.2 | Very low | 35.4 | Very low | 80 Ų | 80 | 126.1 Ų | 126.1 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | | | trans | 77.2 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 477 | S | 30.7 | Very low | 35 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | cis | -173.5 | 165.4 | -18.6 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 478 | Y | 33.6 | Very low | 35 | Very low | 214 Ų | 214 | 132.9 Ų | 132.9 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | | | trans | 59.4 | 153.8 | 164.4 | 88.3 | -93.7 | 0 | 0 | 0 | 118.6 | | |
| 479 | E | 32 | Very low | 35.1 | Very low | 155 Ų | 155 | 131.2 Ų | 131.2 | 72% | 0.724 | 80% | 0.8 | S | S | * | * | | | cis | -144.7 | 137.7 | -6.6 | -104.8 | -139.4 | 97.4 | 0 | 0 | 107.7 | | |
| 480 | T | 33.9 | Very low | 35.1 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | | | | 83.4 | 135.3 | 96.7 | -52.2 | 0 | 0 | 0 | 0 | 116 | | |
| 481 | G | 33.6 | Very low | 34.8 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 166.2 | 65 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 482 | D | 34.1 | Very low | 35.6 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | | | trans | -52.4 | 151.7 | 177.3 | -83 | -107.6 | 0 | 0 | 0 | 116.9 | | |
| 483 | R | 39.8 | Very low | 35.4 | Very low | 256 Ų | 256 | 133.2 Ų | 133.2 | 97% | 0.966 | 79% | 0.794 | S | S | * | * | | | trans | -155 | 117.5 | 130 | -112.4 | 168.4 | -172.8 | 171.7 | 3.4 | 112.1 | | |
| 484 | D | 34.9 | Very low | 34.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | trans | -79.5 | 154.6 | 179.1 | 178.9 | -123.9 | 0 | 0 | 0 | 113.2 | | |
| 485 | D | 39.9 | Very low | 34.2 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | 179.1 | 133.3 | 130.8 | -121 | -56.1 | 0 | 0 | 0 | 109.8 | | |
| 486 | G | 34.4 | Very low | 34.3 | Very low | 60 Ų | 60 | 137.8 Ų | 137.8 | 62% | 0.619 | 79% | 0.791 | S | S | * | * | | | trans | 148.9 | 13.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 125.9 | | |
| 487 | R | 34.5 | Very low | 34.5 | Very low | 259 Ų | 259 | 141.9 Ų | 141.9 | 98% | 0.977 | 79% | 0.793 | S | S | * | * | | | trans | 63.4 | 143.3 | 155.9 | -65.9 | 176.4 | 165.4 | -100.7 | -3 | 123 | | |
| 488 | G | 34.6 | Very low | 34.4 | Very low | 73 Ų | 73 | 147.1 Ų | 147.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 120.6 | 64.1 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 489 | D | 34.3 | Very low | 34.3 | Very low | 139 Ų | 139 | 143 Ų | 143 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | | | | 93.9 | 144.4 | 75.6 | -150.7 | -6.8 | 0 | 0 | 0 | 115 | | |
| 490 | F | 32.5 | Very low | 34.4 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | 67.8 | 113.4 | 178.6 | -69.4 | -82.7 | 0 | 0 | 0 | 122.4 | | |
| 491 | G | 29.9 | Very low | 34.9 | Very low | 67 Ų | 67 | 138.6 Ų | 138.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | -94.8 | -152.9 | 153.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 492 | P | 49 | Very low | 34.8 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | cis | -137.9 | -156.6 | 22.8 | 43.3 | -23.2 | 0 | 0 | 0 | 115.8 | | |
| 493 | T | 32.6 | Very low | 35.2 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -100 | 151 | -155 | 52.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 494 | L | 36.6 | Very low | 34.8 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | | | trans | -168.1 | 157.8 | 143 | -98.7 | 172.5 | 0 | 0 | 0 | 108.1 | | |
| 495 | G | 30 | Very low | 34.7 | Very low | 61 Ų | 61 | 136.3 Ų | 136.3 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | cis | 166.7 | 126.2 | -12.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 496 | L | 32.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | 42.5 | 114 | 159.5 | -84.1 | 154.9 | 0 | 0 | 0 | 120.8 | | |
| 497 | L | 30.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 139 Ų | 139 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | | | | 169.2 | 150 | 109.6 | -96.7 | 146.6 | 0 | 0 | 0 | 113.2 | | |
| 498 | R | 30 | Very low | 34.2 | Very low | 211 Ų | 211 | 131.6 Ų | 131.6 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | -117.9 | 142.7 | 174.3 | -178.7 | 178.1 | -176 | 169.2 | 3.3 | 109.1 | | |
| 499 | P | 31.8 | Very low | 34.3 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | -133.9 | 157.1 | 124.9 | 30.9 | -16.9 | 0 | 0 | 0 | 113.3 | | |
| 500 | A | 32.8 | Very low | 34.5 | Very low | 67 Ų | 67 | 131.9 Ų | 131.9 | 55% | 0.554 | 79% | 0.789 | S | S | * | * | | | trans | -112.1 | 171 | 162.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 501 | P | 45.3 | Very low | 35 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | cis | -138.2 | 164.8 | 17.5 | 42.6 | -25.1 | 0 | 0 | 0 | 117.4 | | |
| 502 | E | 31.6 | Very low | 35.5 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | 46.2 | 159.8 | 135.9 | -65.5 | -104.1 | 102.8 | 0 | 0 | 122.1 | | |
| 503 | P | 43.1 | Very low | 34.8 | Very low | 94 Ų | 94 | 142.3 Ų | 142.3 | 61% | 0.61 | 80% | 0.799 | S | S | * | * | | | cis | -135.8 | -175.3 | 3.9 | 45.5 | -29.1 | 0 | 0 | 0 | 116 | | |
| 504 | E | 29.5 | Very low | 35.3 | Very low | 182 Ų | 182 | 146 Ų | 146 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | | | trans | 59.2 | 115.3 | 156.1 | -47.2 | -160.6 | 109.2 | 0 | 0 | 122.4 | | |
| 505 | A | 33.1 | Very low | 35.7 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 88% | 0.884 | 79% | 0.787 | S | S | * | * | | | | 177.7 | 145.6 | 110.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 506 | E | 31.1 | Very low | 36.1 | Very low | 195 Ų | 195 | 146.7 Ų | 146.7 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | | | trans | -90.8 | 127.5 | -160.4 | -156.4 | -178.6 | 138.9 | 0 | 0 | 114.8 | S508 | E506-S508 PolarHBondContact O-N 3.42Š|
| 507 | G | 31.6 | Very low | 36.4 | Very low | 77 Ų | 77 | 144.9 Ų | 144.9 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -87.4 | 97.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A509 | G507-A509 PolarHBondContact O-N 3.09Š|
| 508 | S | 36 | Very low | 37.1 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -70.5 | 109.9 | -178.4 | -174 | 0 | 0 | 0 | 0 | 113.8 | E506 V510 | E506-S508 PolarHBondContact O-N 3.42Å; S508-V510 PolarHBondContact O-N 3.46Å |
| 509 | A | 36 | Very low | 37.8 | Very low | 93 Ų | 93 | 143.3 Ų | 143.3 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -82.5 | 96 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G507 K511 | G507-A509 PolarHBondContact O-N 3.09Å; A509-K511 PolarHBondContact O-N 3.14Å |
| 510 | V | 40.3 | Very low | 38.5 | Very low | 126 Ų | 126 | 145.5 Ų | 145.5 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | | | trans | -69.7 | 99.6 | -179.7 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | S508 R512 | S508-V510 PolarHBondContact O-N 3.46Å; V510-R512 PolarHBondContact O-N 2.97Å |
| 511 | K | 41.4 | Very low | 38.7 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | -57.5 | 122 | 162.3 | -79.6 | 170.9 | 174.7 | 165.5 | 0 | 109.8 | A509 M513 | A509-K511 PolarHBondContact O-N 3.14Å; K511-M513 VanDerWaalsContact C-N 3.32Å; K511-M513 PolarHBondContact O-N 3.32Å |
| 512 | R | 41.5 | Very low | 38.4 | Very low | 247 Ų | 247 | 157.4 Ų | 157.4 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | | | trans | -71.4 | 89.7 | 166.5 | -68.1 | -173.5 | -145.6 | 160.2 | 8.5 | 109.8 | V510 R514 | V510-R512 PolarHBondContact O-N 2.97Å; R512-R514 PolarHBondContact O-N 2.93Å |
| 513 | M | 34.2 | Very low | 38.7 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.5 | 169.3 | -168.5 | 166.2 | 171.5 | 0 | 0 | 109.2 | K511 | K511-M513 VanDerWaalsContact C-N 3.32Å; K511-M513 PolarHBondContact O-N 3.32Å |
| 514 | R | 42.5 | Very low | 38.5 | Very low | 209 Ų | 209 | 159.7 Ų | 159.7 | 79% | 0.789 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121 | 172.3 | -179.4 | -173.7 | -177.1 | 101.6 | -2.7 | 107.2 | R512 | R512-R514 PolarHBondContact O-N 2.93Š|
| 515 | L | 44.1 | Very low | 39 | Very low | 138 Ų | 138 | 158.4 Ų | 158.4 | 72% | 0.723 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -98 | 135.8 | 173.4 | -150.9 | 75.1 | 0 | 0 | 0 | 110.2 | | |
| 516 | D | 40.3 | Very low | 39.4 | Very low | 120 Ų | 120 | 161.6 Ų | 161.6 | 64% | 0.642 | 82% | 0.823 | S | S | * | * | | | trans | -89.5 | 175.8 | -165.6 | -75.9 | -61.6 | 0 | 0 | 0 | 115 | W518 | D516-W518 PolarHBondContact O-N 3.17Š|
| 517 | T | 37.4 | Very low | 39.9 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -64.7 | 120.8 | 178.5 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | T519 | T517-T519 HydrophobicContact CG2-CG2 4.47Š|
| 518 | W | 46 | Very low | 40.5 | Very low | 221 Ų | 221 | 165.2 Ų | 165.2 | 84% | 0.837 | 82% | 0.819 | S | S | * | * | | | trans | -85.3 | 109.2 | 166.4 | -73.5 | 88.9 | 0 | 0 | 0 | 110.5 | D516 | D516-W518 PolarHBondContact O-N 3.17Š|
| 519 | T | 43.7 | Very low | 40.9 | Very low | 123 Ų | 123 | 169.9 Ų | 169.9 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | -83.2 | 116 | 161.7 | 46.9 | 0 | 0 | 0 | 0 | 109.1 | T517 | T517-T519 HydrophobicContact CG2-CG2 4.47Š|
| 520 | L | 46.2 | Very low | 41.3 | Very low | 174 Ų | 174 | 176.3 Ų | 176.3 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | | | trans | -72.1 | 146.5 | 168.3 | -126.7 | 78.6 | 0 | 0 | 0 | 110.2 | | |
| 521 | K | 38.1 | Very low | 41.4 | Very low | 270 Ų | 270 | 180.9 Ų | 180.9 | 100% | 1.174 | 84% | 0.837 | S | S | * | * | | | trans | -116.9 | 0 | 170.7 | -179.2 | 176.4 | 179.7 | 179.5 | 0 | 109.1 | | |