| 1 | M | 71 | Confident | 92.1 | Very high | 242 Ų | 242 | 150.1 Ų | 150.1 | 100% | 1.192 | 71% | 0.714 | S | S | * | * | | | | 0 | 148.6 | 0 | -165.4 | 56.7 | 83.6 | 0 | 0 | 109.4 | | |
| 2 | G | 83.4 | Confident | 92.6 | Very high | 60 Ų | 60 | 150.5 Ų | 150.5 | 62% | 0.619 | 72% | 0.718 | S | S | * | * | | | trans | -75.4 | 157.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K4 | G2-K4 VanDerWaalsContact C-N 3.3Å; G2-K4 PolarHBondContact O-N 3.43Å |
| 3 | R | 93.5 | Very high | 93 | Very high | 267 Ų | 267 | 145 Ų | 145 | 100% | 1.008 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -66.4 | -27.4 | 179.9 | -67.1 | -175.9 | -176.6 | 167.7 | 0.4 | 113.9 | | |
| 4 | K | 94.9 | Very high | 93.3 | Very high | 179 Ų | 179 | 142.1 Ų | 142.1 | 78% | 0.778 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -146.2 | 140.9 | -179.5 | -175.6 | 175.9 | 176.7 | 177.4 | 0 | 109.3 | G2 | G2-K4 VanDerWaalsContact C-N 3.3Å; G2-K4 PolarHBondContact O-N 3.43Å |
| 5 | K | 93.9 | Very high | 93.7 | Very high | 159 Ų | 159 | 146.2 Ų | 146.2 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | | | trans | -69.5 | 135.8 | 169.8 | -173.8 | 178.1 | -179 | -179.2 | 0 | 109.1 | | |
| 6 | I | 94 | Very high | 93.9 | Very high | 88 Ų | 88 | 143.1 Ų | 143.1 | 45% | 0.451 | 68% | 0.676 | S | S | . | * | | | trans | -115.8 | 147.5 | 175.4 | 62.5 | 172.1 | 0 | 0 | 0 | 110.1 | | |
| 7 | Q | 95.3 | Very high | 94.2 | Very high | 158 Ų | 158 | 138.1 Ų | 138.1 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | | | trans | -71.9 | 154.9 | 169.4 | -69.8 | 175.2 | -16.7 | 0 | 0 | 109.9 | T9 | Q7-T9 VanDerWaalsContact C-N 3.29Å; Q7-T9 HydrophobicContact CB-CG2 4.38Å; Q7-T9 PolarHBondContact O-N 3.22Å; Q7-T9 VanDerWaalsContact O-N 3.13Å |
| 8 | I | 95.4 | Very high | 94.4 | Very high | 144 Ų | 144 | 135.3 Ų | 135.3 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -87.9 | 75.3 | 176.1 | -52.9 | -56.3 | 0 | 0 | 0 | 108.4 | | |
| 9 | T | 96.8 | Very high | 94.6 | Very high | 99 Ų | 99 | 132.4 Ų | 132.4 | 61% | 0.607 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -132.9 | 165.8 | 177 | 55.1 | 0 | 0 | 0 | 0 | 109.9 | Q7 I11 | Q7-T9 VanDerWaalsContact C-N 3.29Å; Q7-T9 HydrophobicContact CB-CG2 4.38Å; Q7-T9 PolarHBondContact O-N 3.22Å; Q7-T9 VanDerWaalsContact O-N 3.13Å; T9-I11 PolarHBondContact O-N 2.98Å |
| 10 | R | 97.4 | Very high | 94.7 | Very high | 205 Ų | 205 | 127.6 Ų | 127.6 | 77% | 0.774 | 61% | 0.607 | S | S | * | * | | | trans | -62.8 | 123.7 | 178.8 | -178.7 | 178.3 | -72.5 | 168.6 | -2.3 | 110 | M12 | R10-M12 HydrophobicContact CG-SD 4.39Å; R10-M12 PolarHBondContact O-N 3.28Å |
| 11 | I | 97.9 | Very high | 94.9 | Very high | 50 Ų | 50 | 123.7 Ų | 123.7 | 26% | 0.256 | 59% | 0.588 | S | S | . | * | | | trans | -71.7 | 112.3 | 173.1 | -58.7 | 173.2 | 0 | 0 | 0 | 108.3 | T9 N16 R17 T20 | T9-I11 PolarHBondContact O-N 2.98Å; I11-N16 HydrophobicContact CG2-CB 4.03Å; I11-R17 HydrophobicContact CB-CB 4.03Å; I11-R17 HydrophobicContact CB-CG 4.36Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.27Å; I11-R17 PolarHBondContact O-NH1 3Å; I11-T20 HydrophobicContact CD1-CG2 3.72Å |
| 12 | M | 97.8 | Very high | 96.2 | Very high | 155 Ų | 155 | 115.4 Ų | 115.4 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | | | trans | -71 | -42.2 | -175.2 | -61.2 | -54.7 | -67.7 | 0 | 0 | 112.6 | R10 E14 R17 | R10-M12 HydrophobicContact CG-SD 4.39Å; R10-M12 PolarHBondContact O-N 3.28Å; M12-E14 PolarHBondContact O-N 3.18Å; M12-R17 PolarHBondContact O-NH1 3.42Å |
| 13 | D | 97.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 120 Ų | 120 | 42% | 0.422 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -67.6 | 123.8 | 176.6 | 171.6 | 57.3 | 0 | 0 | 0 | 112 | R15 N16 R17 | D13-R15 PolarHBondContact O-N 3.15Å; D13-N16 HydrophobicContact CB-CB 4.34Å; D13-N16 WeakPolarHBondContact OD2-CB 3.47Å; D13-N16 PolarHBondContact OD2-N 2.86Å; D13-N16 PolarHBondContact OD2-ND2 3.46Å; D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.15Å |
| 14 | E | 97.9 | Very high | 97.1 | Very high | 104 Ų | 104 | 113.7 Ų | 113.7 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | -176.1 | -165.6 | 65.3 | -116.5 | 0 | 0 | 112.2 | M12 R17 Q18 | M12-E14 PolarHBondContact O-N 3.18Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 3.18Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 2.75Å; E14-R17 PolarHBondContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 3.63Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 IonicContact OE2-NH2 2.8Å; E14-R17 PolarHBondContact OE2-NH2 2.98Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.37Å |
| 15 | R | 98.1 | Very high | 97.3 | Very high | 204 Ų | 204 | 107.3 Ų | 107.3 | 77% | 0.77 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.6 | -48.5 | -174.7 | -174.6 | 179.9 | -69.3 | -177.4 | -1.1 | 110.6 | D13 R17 Q18 V19 | D13-R15 PolarHBondContact O-N 3.15Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.14Å; R15-Q18 PolarHBondContact O-N 3.03Å; R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.1Å |
| 16 | N | 97.6 | Very high | 97.5 | Very high | 97 Ų | 97 | 106.7 Ų | 106.7 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -34.6 | 175 | -75.7 | -57 | 0 | 0 | 0 | 112.2 | I11 D13 T20 | I11-N16 HydrophobicContact CG2-CB 4.03Å; D13-N16 HydrophobicContact CB-CB 4.34Å; D13-N16 WeakPolarHBondContact OD2-CB 3.47Å; D13-N16 PolarHBondContact OD2-N 2.86Å; D13-N16 PolarHBondContact OD2-ND2 3.46Å; N16-T20 WeakPolarHBondContact O-CB 3.33Å; N16-T20 PolarHBondContact O-N 3Å; N16-T20 PolarHBondContact O-OG1 3.32Å |
| 17 | R | 98.2 | Very high | 97.7 | Very high | 57 Ų | 57 | 104.1 Ų | 104.1 | 22% | 0.215 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -63.9 | -47.9 | 174.5 | -173.4 | 167.6 | 66.5 | -113.1 | 7.4 | 111.3 | I11 M12 D13 E14 R15 T20 F21 | I11-R17 HydrophobicContact CB-CB 4.03Å; I11-R17 HydrophobicContact CB-CG 4.36Å; I11-R17 HydrophobicContact CG2-CB 4.03Å; I11-R17 WeakPolarHBondContact O-CD 3.27Å; I11-R17 PolarHBondContact O-NH1 3Å; M12-R17 PolarHBondContact O-NH1 3.42Å; D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 PolarHBondContact O-N 3.15Å; E14-R17 PolarHBondContact O-N 3.23Å; E14-R17 IonicContact OE1-CZ 3.18Å; E14-R17 IonicContact OE1-NE 2.72Å; E14-R17 IonicContact OE1-NH2 2.75Å; E14-R17 PolarHBondContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 3.63Å; E14-R17 IonicContact OE2-NH1 2.73Å; E14-R17 IonicContact OE2-NH2 2.8Å; E14-R17 PolarHBondContact OE2-NH2 2.98Å; R15-R17 VanDerWaalsContact C-N 3.32Å; R15-R17 PolarHBondContact O-N 3.14Å; R17-T20 PolarHBondContact O-N 3.27Å; R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.32Å; R17-F21 PolarHBondContact O-N 3.28Å |
| 18 | Q | 98.1 | Very high | 97.9 | Very high | 89 Ų | 89 | 100.9 Ų | 100.9 | 42% | 0.416 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 179.5 | -178.7 | 58.1 | 15.3 | 0 | 0 | 112.7 | E14 R15 T22 | E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 PolarHBondContact O-N 3.37Å; R15-Q18 PolarHBondContact O-N 3.03Å; Q18-T22 WeakPolarHBondContact O-CB 3.44Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.43Å |
| 19 | V | 98 | Very high | 98 | Very high | 80 Ų | 80 | 95.3 Ų | 95.3 | 49% | 0.485 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63 | -42.9 | 173.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | R15 K23 | R15-V19 WeakPolarHBondContact O-CG2 3.46Å; R15-V19 PolarHBondContact O-N 3.1Å; V19-K23 HydrophobicContact CG1-CD 4.18Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.45Å; V19-K23 VanDerWaalsContact O-N 3.16Å |
| 20 | T | 97.7 | Very high | 98.1 | Very high | 35 Ų | 35 | 95.8 Ų | 95.8 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 178.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | I11 N16 R17 K23 R24 | I11-T20 HydrophobicContact CD1-CG2 3.72Å; N16-T20 WeakPolarHBondContact O-CB 3.33Å; N16-T20 PolarHBondContact O-N 3Å; N16-T20 PolarHBondContact O-OG1 3.32Å; R17-T20 PolarHBondContact O-N 3.27Å; T20-K23 PolarHBondContact O-N 2.87Å; T20-R24 HydrophobicContact CG2-CG 4.06Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.46Å; T20-R24 PolarHBondContact O-N 2.99Å |
| 21 | F | 98.6 | Very high | 98.2 | Very high | 46 Ų | 46 | 92.4 Ų | 92.4 | 20% | 0.202 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -57.1 | -52.1 | 175.3 | 175.6 | -99.8 | 0 | 0 | 0 | 110.7 | R17 K23 R24 K25 I47 N49 F55 | R17-F21 VanDerWaalsContact O-CB 3.28Å; R17-F21 WeakPolarHBondContact O-CB 3.32Å; R17-F21 PolarHBondContact O-N 3.28Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.47Å; F21-R24 PolarHBondContact O-N 2.95Å; F21-K25 HydrophobicContact CE1-CD 3.99Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.27Å; F21-I47 HydrophobicContact CE2-CG2 3.8Å; F21-I47 HydrophobicContact CZ-CG2 3.97Å; F21-N49 HydrophobicContact CE1-CB 4.07Å; F21-N49 HydrophobicContact CE2-CB 3.98Å; F21-N49 HydrophobicContact CZ-CB 3.67Å; F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.63Å; F21-F55 HydrophobicContact CE1-CE2 3.63Å; F21-F55 AromaticContact CE1-CZ 3.95Å; F21-F55 HydrophobicContact CE1-CZ 3.95Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.78Å; F21-F55 HydrophobicContact CZ-CE2 3.78Å |
| 22 | T | 98.1 | Very high | 98.2 | Very high | 69 Ų | 69 | 90.6 Ų | 90.6 | 42% | 0.423 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56 | -47.6 | 180 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | Q18 F26 | Q18-T22 WeakPolarHBondContact O-CB 3.44Å; Q18-T22 PolarHBondContact O-N 3.43Å; Q18-T22 PolarHBondContact O-OG1 3.43Å; T22-F26 PolarHBondContact O-N 3.28Å |
| 23 | K | 97.7 | Very high | 98.3 | Very high | 155 Ų | 155 | 89.5 Ų | 89.5 | 67% | 0.674 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -69.4 | -42.1 | -180 | -68.9 | 178.9 | 67.3 | 170.1 | 0 | 113.2 | V19 T20 F21 G27 | V19-K23 HydrophobicContact CG1-CD 4.18Å; V19-K23 WeakPolarHBondContact O-CG 3.49Å; V19-K23 PolarHBondContact O-N 3.45Å; V19-K23 VanDerWaalsContact O-N 3.16Å; T20-K23 PolarHBondContact O-N 2.87Å; F21-K23 VanDerWaalsContact C-N 3.34Å; F21-K23 PolarHBondContact O-N 3.47Å; K23-G27 PolarHBondContact O-N 3.01Å |
| 24 | R | 98.3 | Very high | 98.3 | Very high | 136 Ų | 136 | 88.1 Ų | 88.1 | 51% | 0.513 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -70.9 | -39.7 | 179.3 | -74.7 | -171.9 | 174.9 | -155.1 | -4.4 | 112 | T20 F21 F26 G27 L28 | T20-R24 HydrophobicContact CG2-CG 4.06Å; T20-R24 VanDerWaalsContact O-CB 3.31Å; T20-R24 WeakPolarHBondContact O-CB 3.28Å; T20-R24 WeakPolarHBondContact O-CG 3.46Å; T20-R24 PolarHBondContact O-N 2.99Å; F21-R24 PolarHBondContact O-N 2.95Å; R24-F26 PolarHBondContact O-N 3.22Å; R24-G27 PolarHBondContact O-N 3.39Å; R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 3.23Å |
| 25 | K | 98.6 | Very high | 98.4 | Very high | 44 Ų | 44 | 87.4 Ų | 87.4 | 19% | 0.191 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.4 | -49.6 | 174.5 | -173.3 | -172.9 | 74.8 | 69.4 | 0 | 111 | F21 L28 M29 I47 F55 | F21-K25 HydrophobicContact CE1-CD 3.99Å; F21-K25 HydrophobicContact CZ-CD 4.01Å; F21-K25 WeakPolarHBondContact O-CB 3.46Å; F21-K25 PolarHBondContact O-N 3.27Å; K25-L28 PolarHBondContact O-N 3.01Å; K25-M29 HydrophobicContact CD-CE 4.23Å; K25-M29 HydrophobicContact CD-SD 4.49Å; K25-M29 HydrophobicContact CG-CE 3.99Å; K25-M29 HydrophobicContact CG-SD 3.97Å; K25-M29 PolarHBondContact NZ-SD 2.66Å; K25-M29 VanDerWaalsContact NZ-SD 3.41Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.44Å; K25-M29 PolarHBondContact O-N 2.94Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.37Å; K25-F55 HydrophobicContact CD-CE1 4.49Å; K25-F55 HydrophobicContact CD-CG 3.76Å |
| 26 | F | 98.4 | Very high | 98.4 | Very high | 146 Ų | 146 | 78.2 Ų | 78.2 | 64% | 0.64 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.2 | -175.9 | -97.5 | 0 | 0 | 0 | 112.3 | T22 R24 L28 M29 K30 | T22-F26 PolarHBondContact O-N 3.28Å; R24-F26 PolarHBondContact O-N 3.22Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.02Å; F26-M29 PolarHBondContact O-N 3.24Å; F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 PolarHBondContact O-N 3.34Å |
| 27 | G | 98.5 | Very high | 98.4 | Very high | 35 Ų | 35 | 78 Ų | 78 | 36% | 0.361 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K23 R24 K31 | K23-G27 PolarHBondContact O-N 3.01Å; R24-G27 PolarHBondContact O-N 3.39Å; G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 3.48Å |
| 28 | L | 98.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 82.1 Ų | 82.1 | 47% | 0.466 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.5 | -46.4 | 176.4 | -177.8 | 61.8 | 0 | 0 | 0 | 111.5 | R24 K25 F26 K30 K31 A32 L45 I47 | R24-L28 WeakPolarHBondContact O-CB 3.49Å; R24-L28 PolarHBondContact O-N 3.23Å; K25-L28 PolarHBondContact O-N 3.01Å; F26-L28 VanDerWaalsContact C-N 3.34Å; F26-L28 PolarHBondContact O-N 3.02Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; L28-K31 PolarHBondContact O-N 2.88Å; L28-K31 VanDerWaalsContact O-N 3.09Å; L28-A32 PolarHBondContact O-N 2.81Å; L28-L45 HydrophobicContact CD2-CD1 4.14Å; L28-L45 HydrophobicContact CD2-CD2 3.9Å; L28-L45 HydrophobicContact CG-CD2 3.82Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å |
| 29 | M | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 81.8 Ų | 81.8 | 14% | 0.138 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 174.1 | -71.5 | 167.4 | 163.1 | 0 | 0 | 111.5 | K25 F26 K31 A32 Y33 L45 F55 Q56 Y57 | K25-M29 HydrophobicContact CD-CE 4.23Å; K25-M29 HydrophobicContact CD-SD 4.49Å; K25-M29 HydrophobicContact CG-CE 3.99Å; K25-M29 HydrophobicContact CG-SD 3.97Å; K25-M29 PolarHBondContact NZ-SD 2.66Å; K25-M29 VanDerWaalsContact NZ-SD 3.41Å; K25-M29 VanDerWaalsContact O-CG 3.31Å; K25-M29 WeakPolarHBondContact O-CG 3.44Å; K25-M29 PolarHBondContact O-N 2.94Å; F26-M29 PolarHBondContact O-N 3.24Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.39Å; M29-A32 PolarHBondContact O-N 2.95Å; M29-Y33 PolarHBondContact O-N 2.96Å; M29-L45 HydrophobicContact CG-CD2 4.26Å; M29-F55 HydrophobicContact CE-CB 4.49Å; M29-Q56 WeakPolarHBondContact CE-O 3.31Å; M29-Y57 HydrophobicContact CG-CG 4.4Å |
| 30 | K | 98.7 | Very high | 98.5 | Very high | 108 Ų | 108 | 85.5 Ų | 85.5 | 47% | 0.47 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -62.2 | -39.4 | 173.9 | -169.6 | -177 | -174.6 | -138.8 | 0 | 112.2 | F26 L28 Y33 E34 | F26-K30 WeakPolarHBondContact O-CB 3.33Å; F26-K30 PolarHBondContact O-N 3.34Å; L28-K30 VanDerWaalsContact C-N 3.32Å; L28-K30 PolarHBondContact O-N 3.24Å; K30-Y33 PolarHBondContact O-N 3.43Å; K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.65Å; K30-E34 PolarHBondContact NZ-OE1 2.83Å; K30-E34 WeakPolarHBondContact O-CB 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 2.95Å |
| 31 | K | 98.8 | Very high | 98.5 | Very high | 134 Ų | 134 | 86.1 Ų | 86.1 | 58% | 0.583 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -69.3 | -36.7 | 177.7 | -80.7 | -73.8 | 163.9 | -156.6 | 0 | 112.9 | G27 L28 M29 E34 L35 | G27-K31 WeakPolarHBondContact O-CG 3.45Å; G27-K31 PolarHBondContact O-N 3.48Å; L28-K31 PolarHBondContact O-N 2.88Å; L28-K31 VanDerWaalsContact O-N 3.09Å; M29-K31 VanDerWaalsContact C-N 3.33Å; M29-K31 PolarHBondContact O-N 3.39Å; K31-E34 VanDerWaalsContact CE-OE2 3.28Å; K31-E34 WeakPolarHBondContact CE-OE2 3.26Å; K31-E34 IonicContact NZ-OE2 3.34Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; K31-L35 WeakPolarHBondContact O-CB 3.1Å; K31-L35 PolarHBondContact O-N 3.17Å |
| 32 | A | 98.7 | Very high | 98.5 | Very high | 12 Ų | 12 | 87.8 Ų | 87.8 | 10% | 0.099 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | L28 M29 L35 S36 I43 Y57 | L28-A32 PolarHBondContact O-N 2.81Å; M29-A32 PolarHBondContact O-N 2.95Å; A32-L35 PolarHBondContact O-N 3.04Å; A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.35Å; A32-S36 VanDerWaalsContact O-OG 3.12Å; A32-I43 HydrophobicContact CB-CG2 4.15Å; A32-I43 WeakPolarHBondContact O-CD1 3.37Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.54Å |
| 33 | Y | 98.7 | Very high | 98.5 | Very high | 132 Ų | 132 | 86.2 Ų | 86.2 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 173.8 | 169.4 | -95.5 | 0 | 0 | 0 | 113.3 | M29 K30 L35 S36 V37 Y57 | M29-Y33 PolarHBondContact O-N 2.96Å; K30-Y33 PolarHBondContact O-N 3.43Å; Y33-L35 VanDerWaalsContact C-N 3.28Å; Y33-L35 PolarHBondContact O-N 3.38Å; Y33-S36 WeakPolarHBondContact CA-OG 3.43Å; Y33-S36 PolarHBondContact O-N 3.21Å; Y33-S36 PolarHBondContact O-OG 3.14Å; Y33-V37 HydrophobicContact CD2-CG2 4.13Å; Y33-V37 HydrophobicContact CE1-CG2 4.48Å; Y33-V37 HydrophobicContact CE2-CG2 3.73Å; Y33-V37 WeakPolarHBondContact O-CG2 3.39Å; Y33-V37 PolarHBondContact O-N 2.75Å; Y33-V37 VanDerWaalsContact O-N 3.09Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.23Å; Y33-Y57 PolarHBondContact N-OH 2.99Å |
| 34 | E | 98.8 | Very high | 98.6 | Very high | 50 Ų | 50 | 80.7 Ų | 80.7 | 23% | 0.234 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.1 | -41.6 | 176.5 | -75.1 | 171.5 | -174.7 | 0 | 0 | 110.8 | K30 K31 L38 | K30-E34 WeakPolarHBondContact CE-OE1 3.46Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 IonicContact NZ-OE1 2.65Å; K30-E34 PolarHBondContact NZ-OE1 2.83Å; K30-E34 WeakPolarHBondContact O-CB 3.3Å; K30-E34 WeakPolarHBondContact O-CG 3.27Å; K30-E34 PolarHBondContact O-N 2.95Å; K31-E34 VanDerWaalsContact CE-OE2 3.28Å; K31-E34 WeakPolarHBondContact CE-OE2 3.26Å; K31-E34 IonicContact NZ-OE2 3.34Å; K31-E34 PolarHBondContact NZ-OE2 2.81Å; E34-L38 VanDerWaalsContact O-CB 3.26Å; E34-L38 WeakPolarHBondContact O-CB 3.35Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.04Å; E34-L38 VanDerWaalsContact O-N 3.07Å |
| 35 | L | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 75.9 Ų | 75.9 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -68.6 | -47.1 | 178.4 | -175.7 | 61.2 | 0 | 0 | 0 | 112.8 | K31 A32 Y33 V37 L38 C39 I43 | K31-L35 WeakPolarHBondContact O-CB 3.1Å; K31-L35 PolarHBondContact O-N 3.17Å; A32-L35 PolarHBondContact O-N 3.04Å; Y33-L35 VanDerWaalsContact C-N 3.28Å; Y33-L35 PolarHBondContact O-N 3.38Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.72Å; L35-L38 PolarHBondContact O-N 3.23Å; L35-C39 HydrophobicContact CD1-CB 4.48Å; L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 2.59Å; L35-I43 HydrophobicContact CB-CD1 3.97Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.95Å |
| 36 | S | 98.6 | Very high | 98.6 | Very high | 11 Ų | 11 | 78 Ų | 78 | 8% | 0.077 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 179.8 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | A32 Y33 D40 C41 Y57 S59 | A32-S36 PolarHBondContact O-N 3.17Å; A32-S36 PolarHBondContact O-OG 3.35Å; A32-S36 VanDerWaalsContact O-OG 3.12Å; Y33-S36 WeakPolarHBondContact CA-OG 3.43Å; Y33-S36 PolarHBondContact O-N 3.21Å; Y33-S36 PolarHBondContact O-OG 3.14Å; S36-D40 WeakPolarHBondContact O-CA 3.46Å; S36-D40 PolarHBondContact O-N 2.75Å; S36-D40 VanDerWaalsContact O-N 3.14Å; S36-C41 WeakPolarHBondContact CA-O 3.34Å; S36-C41 WeakPolarHBondContact CB-O 3.31Å; S36-C41 PolarHBondContact O-N 3.48Å; S36-Y57 PolarHBondContact OG-OH 3.07Å; S36-S59 VanDerWaalsContact CB-CB 3.47Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å |
| 37 | V | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 72.2 Ų | 72.2 | 56% | 0.558 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -77.5 | -37.4 | 179.5 | 174.3 | 0 | 0 | 0 | 0 | 112.1 | Y33 L35 | Y33-V37 HydrophobicContact CD2-CG2 4.13Å; Y33-V37 HydrophobicContact CE1-CG2 4.48Å; Y33-V37 HydrophobicContact CE2-CG2 3.73Å; Y33-V37 WeakPolarHBondContact O-CG2 3.39Å; Y33-V37 PolarHBondContact O-N 2.75Å; Y33-V37 VanDerWaalsContact O-N 3.09Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 2.72Å |
| 38 | L | 98.7 | Very high | 98.6 | Very high | 143 Ų | 143 | 76.7 Ų | 76.7 | 75% | 0.749 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -76.5 | -26.1 | -178 | -72.7 | 171.5 | 0 | 0 | 0 | 113.7 | E34 L35 | E34-L38 VanDerWaalsContact O-CB 3.26Å; E34-L38 WeakPolarHBondContact O-CB 3.35Å; E34-L38 WeakPolarHBondContact O-CD1 3.36Å; E34-L38 WeakPolarHBondContact O-CG 3.26Å; E34-L38 PolarHBondContact O-N 3.04Å; E34-L38 VanDerWaalsContact O-N 3.07Å; L35-L38 PolarHBondContact O-N 3.23Å |
| 39 | C | 98.5 | Very high | 98.5 | Very high | 82 Ų | 82 | 73.4 Ų | 73.4 | 55% | 0.554 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -120.5 | 8.1 | -173.4 | -61.2 | 0 | 0 | 0 | 0 | 114 | L35 C41 | L35-C39 HydrophobicContact CD1-CB 4.48Å; L35-C39 WeakPolarHBondContact O-CB 3.44Å; L35-C39 PolarHBondContact O-N 2.59Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.49Å |
| 40 | D | 98.5 | Very high | 98.4 | Very high | 159 Ų | 159 | 76 Ų | 76 | 85% | 0.85 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 52.3 | -177.6 | -163.7 | 30.2 | 0 | 0 | 0 | 113 | S36 | S36-D40 WeakPolarHBondContact O-CA 3.46Å; S36-D40 PolarHBondContact O-N 2.75Å; S36-D40 VanDerWaalsContact O-N 3.14Å |
| 41 | C | 97.9 | Very high | 98.4 | Very high | 47 Ų | 47 | 75.4 Ų | 75.4 | 32% | 0.318 | 40% | 0.404 | S | S | . | . | | | trans | -124.6 | 144.5 | -173.5 | 67.3 | 0 | 0 | 0 | 0 | 113.9 | S36 C39 S59 | S36-C41 WeakPolarHBondContact CA-O 3.34Å; S36-C41 WeakPolarHBondContact CB-O 3.31Å; S36-C41 PolarHBondContact O-N 3.48Å; C39-C41 VanDerWaalsContact C-N 3.35Å; C39-C41 PolarHBondContact O-N 3.49Å; C41-S59 PolarHBondContact O-OG 3.34Å |
| 42 | E | 98.4 | Very high | 98.3 | Very high | 82 Ų | 82 | 75.4 Ų | 75.4 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | | | trans | -84 | 127.8 | 177.3 | -64 | -169.7 | 106.5 | 0 | 0 | 110.8 | S59 T60 V65 K68 | E42-S59 WeakPolarHBondContact CA-OG 3.45Å; E42-T60 HydrophobicContact CG-CG2 4.23Å; E42-T60 PolarHBondContact OE1-OG1 2.96Å; E42-V65 HydrophobicContact CB-CG2 4.13Å; E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 2.97Å |
| 43 | I | 98.5 | Very high | 98.3 | Very high | 35 Ų | 35 | 80.9 Ų | 80.9 | 18% | 0.179 | 43% | 0.432 | C | S | . | . | | | trans | -133.3 | 124 | -176.6 | -58.4 | 176 | 0 | 0 | 0 | 108.7 | A32 L35 A58 S59 | A32-I43 HydrophobicContact CB-CG2 4.15Å; A32-I43 WeakPolarHBondContact O-CD1 3.37Å; L35-I43 HydrophobicContact CB-CD1 3.97Å; L35-I43 HydrophobicContact CD2-CD1 3.88Å; L35-I43 HydrophobicContact CG-CD1 3.95Å; I43-A58 CarbonylContact O-C 3.54Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.14Å; I43-S59 PolarHBondContact N-OG 2.96Å; I43-S59 PolarHBondContact O-N 3.05Å |
| 44 | A | 98.6 | Very high | 98.3 | Very high | 39 Ų | 39 | 78.1 Ų | 78.1 | 32% | 0.322 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 140.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | M62 V65 | A44-M62 HydrophobicContact CB-SD 3.81Å; A44-V65 HydrophobicContact CB-CB 4.06Å; A44-V65 HydrophobicContact CB-CG1 3.56Å |
| 45 | L | 98.7 | Very high | 98.3 | Very high | 36 Ų | 36 | 78 Ų | 78 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 117.1 | 179.9 | 175.4 | 63.1 | 0 | 0 | 0 | 109.7 | L28 M29 I47 Q56 Y57 | L28-L45 HydrophobicContact CD2-CD1 4.14Å; L28-L45 HydrophobicContact CD2-CD2 3.9Å; L28-L45 HydrophobicContact CG-CD2 3.82Å; M29-L45 HydrophobicContact CG-CD2 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.08Å; L45-I47 HydrophobicContact CG-CD1 4.11Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; L45-Q56 CarbonylContact O-C 3.57Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.38Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 PolarHBondContact N-O 3.24Å; L45-Y57 PolarHBondContact O-N 2.88Å |
| 46 | I | 98.7 | Very high | 98.3 | Very high | 87 Ų | 87 | 78.8 Ų | 78.8 | 45% | 0.446 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.4 | 178.6 | -64.6 | 175 | 0 | 0 | 0 | 108.7 | F48 L54 L66 | I46-F48 HydrophobicContact CG2-CD2 4.18Å; I46-F48 HydrophobicContact CG2-CE2 3.75Å; I46-L54 HydrophobicContact CG2-CD1 3.84Å; I46-L66 HydrophobicContact CD1-CD2 4.21Å |
| 47 | I | 98.7 | Very high | 98.3 | Very high | 26 Ų | 26 | 80.3 Ų | 80.3 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 116.3 | -178.5 | -55.3 | 171.2 | 0 | 0 | 0 | 109.5 | F21 K25 L28 L45 F55 | F21-I47 HydrophobicContact CE2-CG2 3.8Å; F21-I47 HydrophobicContact CZ-CG2 3.97Å; K25-I47 HydrophobicContact CG-CD1 3.92Å; L28-I47 HydrophobicContact CD2-CD1 4.26Å; L45-I47 HydrophobicContact CD1-CD1 4.37Å; L45-I47 HydrophobicContact CD1-CG1 4.12Å; L45-I47 HydrophobicContact CD2-CD1 4.08Å; L45-I47 HydrophobicContact CG-CD1 4.11Å; L45-I47 HydrophobicContact CG-CG1 4.1Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.12Å; I47-F55 PolarHBondContact O-N 3.44Å |
| 48 | F | 98.7 | Very high | 98.3 | Very high | 129 Ų | 129 | 77 Ų | 77 | 57% | 0.566 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 132.4 | 162.3 | -67.4 | -84.2 | 0 | 0 | 0 | 109.5 | I46 L54 | I46-F48 HydrophobicContact CG2-CD2 4.18Å; I46-F48 HydrophobicContact CG2-CE2 3.75Å; F48-L54 HydrophobicContact CD1-CB 4.3Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.05Å; F48-L54 HydrophobicContact CE1-CG 4.47Å; F48-L54 HydrophobicContact CE2-CD1 4.22Å; F48-L54 HydrophobicContact CZ-CD1 3.88Å |
| 49 | N | 97.3 | Very high | 98.3 | Very high | 19 Ų | 19 | 72.1 Ų | 72.1 | 10% | 0.102 | 39% | 0.391 | C | S | . | . | | | trans | -84.3 | -179.4 | 172.3 | 80.1 | -18.2 | 0 | 0 | 0 | 111.4 | F21 T51 N52 K53 F55 | F21-N49 HydrophobicContact CE1-CB 4.07Å; F21-N49 HydrophobicContact CE2-CB 3.98Å; F21-N49 HydrophobicContact CZ-CB 3.67Å; N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.09Å; N49-T51 VanDerWaalsContact OD1-C 3.29Å; N49-T51 WeakPolarHBondContact OD1-CA 3.13Å; N49-T51 PolarHBondContact OD1-N 3.35Å; N49-T51 PolarHBondContact OD1-OG1 3.4Å; N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 PolarHBondContact OD1-N 3.41Å; N49-N52 VanDerWaalsContact OD1-N 3.17Å; N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 2.96Å; N49-F55 HydrophobicContact CB-CE2 4.15Å |
| 50 | S | 96.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 71.9 Ų | 71.9 | 58% | 0.58 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -3.5 | 177 | 55.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 51 | T | 97 | Very high | 98.2 | Very high | 95 Ų | 95 | 67.5 Ų | 67.5 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 20.6 | 174.1 | 72 | 0 | 0 | 0 | 0 | 111.5 | N49 K53 | N49-T51 PolarHBondContact ND2-OG1 3.02Å; N49-T51 PolarHBondContact O-N 3.09Å; N49-T51 VanDerWaalsContact OD1-C 3.29Å; N49-T51 WeakPolarHBondContact OD1-CA 3.13Å; N49-T51 PolarHBondContact OD1-N 3.35Å; N49-T51 PolarHBondContact OD1-OG1 3.4Å; T51-K53 PolarHBondContact O-N 3.41Å |
| 52 | N | 97.9 | Very high | 98.2 | Very high | 135 Ų | 135 | 66.1 Ų | 66.1 | 72% | 0.722 | 35% | 0.353 | S | S | * | . | | | trans | 54.5 | 20.8 | -177.6 | -57.8 | -24.9 | 0 | 0 | 0 | 115.3 | N49 L54 | N49-N52 PolarHBondContact O-N 3.37Å; N49-N52 PolarHBondContact OD1-N 3.41Å; N49-N52 VanDerWaalsContact OD1-N 3.17Å; N52-L54 PolarHBondContact O-N 2.89Å |
| 53 | K | 98.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 68 Ų | 68 | 55% | 0.548 | 37% | 0.365 | S | S | . | . | | | trans | -77.4 | 123 | 171.7 | -177.8 | 167.4 | -180 | 165.8 | 0 | 109.4 | N49 T51 F55 | N49-K53 PolarHBondContact N-O 3.35Å; N49-K53 WeakPolarHBondContact OD1-CB 3.26Å; N49-K53 PolarHBondContact OD1-N 2.96Å; T51-K53 PolarHBondContact O-N 3.41Å; K53-F55 HydrophobicContact CB-CE2 4.05Å; K53-F55 HydrophobicContact CD-CE2 4.19Å; K53-F55 HydrophobicContact CD-CZ 3.81Å; K53-F55 HydrophobicContact CG-CD2 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.81Å; K53-F55 HydrophobicContact CG-CZ 3.93Å; K53-F55 WeakPolarHBondContact O-CD2 3.49Å; K53-F55 WeakPolarHBondContact O-CE2 3.43Å |
| 54 | L | 98.6 | Very high | 98.2 | Very high | 75 Ų | 75 | 72.7 Ų | 72.7 | 39% | 0.393 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 138.2 | 174.7 | 178.1 | 60.3 | 0 | 0 | 0 | 111.5 | I46 F48 N52 | I46-L54 HydrophobicContact CG2-CD1 3.84Å; F48-L54 HydrophobicContact CD1-CB 4.3Å; F48-L54 HydrophobicContact CE1-CB 3.9Å; F48-L54 HydrophobicContact CE1-CD1 4.05Å; F48-L54 HydrophobicContact CE1-CG 4.47Å; F48-L54 HydrophobicContact CE2-CD1 4.22Å; F48-L54 HydrophobicContact CZ-CD1 3.88Å; N52-L54 PolarHBondContact O-N 2.89Å |
| 55 | F | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 71.8 Ų | 71.8 | 21% | 0.206 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 132.8 | 163.4 | -56.4 | -96.9 | 0 | 0 | 0 | 107.8 | F21 K25 M29 I47 N49 K53 | F21-F55 HydrophobicContact CE1-CD2 4.02Å; F21-F55 AromaticContact CE1-CE2 3.63Å; F21-F55 HydrophobicContact CE1-CE2 3.63Å; F21-F55 AromaticContact CE1-CZ 3.95Å; F21-F55 HydrophobicContact CE1-CZ 3.95Å; F21-F55 AromaticContact CZ-CD2 3.77Å; F21-F55 HydrophobicContact CZ-CD2 3.77Å; F21-F55 AromaticContact CZ-CE2 3.78Å; F21-F55 HydrophobicContact CZ-CE2 3.78Å; K25-F55 HydrophobicContact CD-CB 3.83Å; K25-F55 HydrophobicContact CD-CD1 3.84Å; K25-F55 HydrophobicContact CD-CD2 4.37Å; K25-F55 HydrophobicContact CD-CE1 4.49Å; K25-F55 HydrophobicContact CD-CG 3.76Å; M29-F55 HydrophobicContact CE-CB 4.49Å; I47-F55 HydrophobicContact CB-CB 4.44Å; I47-F55 PolarHBondContact N-O 3.12Å; I47-F55 PolarHBondContact O-N 3.44Å; N49-F55 HydrophobicContact CB-CE2 4.15Å; K53-F55 HydrophobicContact CB-CE2 4.05Å; K53-F55 HydrophobicContact CD-CE2 4.19Å; K53-F55 HydrophobicContact CD-CZ 3.81Å; K53-F55 HydrophobicContact CG-CD2 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.81Å; K53-F55 HydrophobicContact CG-CZ 3.93Å; K53-F55 WeakPolarHBondContact O-CD2 3.49Å; K53-F55 WeakPolarHBondContact O-CE2 3.43Å |
| 56 | Q | 98.5 | Very high | 98.2 | Very high | 106 Ų | 106 | 73.1 Ų | 73.1 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 159.3 | -176.9 | 80.2 | -166.8 | 54.3 | 0 | 0 | 112.5 | M29 L45 M62 | M29-Q56 WeakPolarHBondContact CE-O 3.31Å; L45-Q56 CarbonylContact O-C 3.57Å; L45-Q56 VanDerWaalsContact O-CA 3.3Å; L45-Q56 WeakPolarHBondContact O-CA 3.38Å; Q56-M62 HydrophobicContact CB-CE 3.67Å; Q56-M62 HydrophobicContact CG-CE 3.82Å |
| 57 | Y | 98.8 | Very high | 98.2 | Very high | 43 Ų | 43 | 73.5 Ų | 73.5 | 17% | 0.169 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137.5 | 169.1 | 163.5 | -90.7 | 0 | 0 | 0 | 108.3 | M29 A32 Y33 S36 L45 M62 | M29-Y57 HydrophobicContact CG-CG 4.4Å; A32-Y57 HydrophobicContact CB-CD1 3.9Å; A32-Y57 HydrophobicContact CB-CE1 3.54Å; Y33-Y57 VanDerWaalsContact CA-OH 3.26Å; Y33-Y57 WeakPolarHBondContact CA-OH 3.23Å; Y33-Y57 PolarHBondContact N-OH 2.99Å; S36-Y57 PolarHBondContact OG-OH 3.07Å; L45-Y57 HydrophobicContact CB-CD1 4.31Å; L45-Y57 PolarHBondContact N-O 3.24Å; L45-Y57 PolarHBondContact O-N 2.88Å; Y57-M62 WeakPolarHBondContact O-CE 3.46Å |
| 58 | A | 98.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 77.6 Ų | 77.6 | 20% | 0.198 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 148.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | I43 T60 M62 | I43-A58 CarbonylContact O-C 3.54Å; I43-A58 VanDerWaalsContact O-CA 3.27Å; I43-A58 WeakPolarHBondContact O-CA 3.14Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 WeakPolarHBondContact CB-O 3.35Å; A58-M62 HydrophobicContact CB-CB 4.27Å; A58-M62 HydrophobicContact CB-CE 3.93Å; A58-M62 HydrophobicContact CB-SD 4.41Å |
| 59 | S | 98.4 | Very high | 98.1 | Very high | 39 Ų | 39 | 79.1 Ų | 79.1 | 27% | 0.273 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -74.1 | -28.6 | 169 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | S36 C41 E42 I43 | S36-S59 VanDerWaalsContact CB-CB 3.47Å; S36-S59 WeakPolarHBondContact OG-CB 3.46Å; C41-S59 PolarHBondContact O-OG 3.34Å; E42-S59 WeakPolarHBondContact CA-OG 3.45Å; I43-S59 PolarHBondContact N-OG 2.96Å; I43-S59 PolarHBondContact O-N 3.05Å |
| 60 | T | 97.6 | Very high | 98.1 | Very high | 77 Ų | 77 | 83 Ų | 83 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -120.6 | -132.1 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 109.5 | E42 A58 | E42-T60 HydrophobicContact CG-CG2 4.23Å; E42-T60 PolarHBondContact OE1-OG1 2.96Å; A58-T60 VanDerWaalsContact C-N 3.33Å; A58-T60 WeakPolarHBondContact CB-O 3.35Å |
| 61 | D | 98 | Very high | 98.2 | Very high | 67 Ų | 67 | 85 Ų | 85 | 36% | 0.358 | 43% | 0.429 | S | S | . | . | | | trans | -92.3 | 129.6 | 178 | -176.6 | -57.9 | 0 | 0 | 0 | 109.2 | D63 K64 V65 | D61-D63 VanDerWaalsContact C-N 3.35Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.24Å; D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.69Å; D61-K64 HydrophobicContact CB-CG 3.77Å; D61-K64 PolarHBondContact O-N 3.38Å; D61-K64 PolarHBondContact OD1-N 3.04Å; D61-V65 WeakPolarHBondContact O-CG2 3.48Å; D61-V65 PolarHBondContact O-N 2.96Å |
| 62 | M | 98.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 86.5 Ų | 86.5 | 9% | 0.094 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | -175.8 | -177.7 | 65 | 69.3 | 0 | 0 | 111.9 | A44 Q56 Y57 A58 K64 V65 L66 | A44-M62 HydrophobicContact CB-SD 3.81Å; Q56-M62 HydrophobicContact CB-CE 3.67Å; Q56-M62 HydrophobicContact CG-CE 3.82Å; Y57-M62 WeakPolarHBondContact O-CE 3.46Å; A58-M62 HydrophobicContact CB-CB 4.27Å; A58-M62 HydrophobicContact CB-CE 3.93Å; A58-M62 HydrophobicContact CB-SD 4.41Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.03Å; M62-V65 PolarHBondContact O-N 3.21Å; M62-L66 HydrophobicContact CG-CD1 3.88Å; M62-L66 HydrophobicContact CG-CG 4.35Å; M62-L66 WeakPolarHBondContact O-CG 3.38Å; M62-L66 PolarHBondContact O-N 3.29Å; M62-L66 HydrophobicContact SD-CD1 4.2Å; M62-L66 HydrophobicContact SD-CG 4.27Å |
| 63 | D | 98.2 | Very high | 98 | Very high | 120 Ų | 120 | 87.1 Ų | 87.1 | 64% | 0.642 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -71.7 | -32.7 | -172.6 | -60.7 | -32.8 | 0 | 0 | 0 | 110.3 | D61 L66 L67 | D61-D63 VanDerWaalsContact C-N 3.35Å; D61-D63 PolarHBondContact O-N 3.11Å; D61-D63 PolarHBondContact OD1-N 3.24Å; D63-L66 PolarHBondContact O-N 3.26Å; D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 3.01Å |
| 64 | K | 98.3 | Very high | 97.9 | Very high | 135 Ų | 135 | 87.2 Ų | 87.2 | 59% | 0.587 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63.8 | -43.9 | 172 | -62 | -176.5 | -162.5 | 171.9 | 0 | 112.7 | D61 M62 K68 | D61-K64 HydrophobicContact CB-CB 4.08Å; D61-K64 HydrophobicContact CB-CD 3.69Å; D61-K64 HydrophobicContact CB-CG 3.77Å; D61-K64 PolarHBondContact O-N 3.38Å; D61-K64 PolarHBondContact OD1-N 3.04Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.03Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.28Å; K64-K68 PolarHBondContact O-N 3.24Å |
| 65 | V | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 89.3 Ų | 89.3 | 12% | 0.115 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -69.5 | -36.8 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 111 | E42 A44 D61 M62 Y69 | E42-V65 HydrophobicContact CB-CG2 4.13Å; A44-V65 HydrophobicContact CB-CB 4.06Å; A44-V65 HydrophobicContact CB-CG1 3.56Å; D61-V65 WeakPolarHBondContact O-CG2 3.48Å; D61-V65 PolarHBondContact O-N 2.96Å; M62-V65 PolarHBondContact O-N 3.21Å; V65-Y69 PolarHBondContact O-N 3.07Å |
| 66 | L | 98.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 92.1 Ų | 92.1 | 34% | 0.34 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.6 | -41.4 | 175.2 | -68.4 | 176.9 | 0 | 0 | 0 | 112.4 | I46 M62 D63 Y69 T70 | I46-L66 HydrophobicContact CD1-CD2 4.21Å; M62-L66 HydrophobicContact CG-CD1 3.88Å; M62-L66 HydrophobicContact CG-CG 4.35Å; M62-L66 WeakPolarHBondContact O-CG 3.38Å; M62-L66 PolarHBondContact O-N 3.29Å; M62-L66 HydrophobicContact SD-CD1 4.2Å; M62-L66 HydrophobicContact SD-CG 4.27Å; D63-L66 PolarHBondContact O-N 3.26Å; L66-Y69 WeakPolarHBondContact O-CB 3.24Å; L66-Y69 PolarHBondContact O-N 3.22Å; L66-T70 PolarHBondContact O-N 3.44Å; L66-T70 PolarHBondContact O-OG1 3.48Å |
| 67 | L | 98.1 | Very high | 97.6 | Very high | 95 Ų | 95 | 94 Ų | 94 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.8 | -49 | 174.1 | -179.2 | 62.7 | 0 | 0 | 0 | 110.9 | D63 Y69 T70 E71 | D63-L67 VanDerWaalsContact O-CB 3.27Å; D63-L67 WeakPolarHBondContact O-CB 3.38Å; D63-L67 PolarHBondContact O-N 3.01Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.01Å; L67-T70 WeakPolarHBondContact CA-OG1 3.28Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-T70 PolarHBondContact O-OG1 3.35Å; L67-E71 HydrophobicContact CD1-CG 4.41Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.09Å |
| 68 | K | 97.9 | Very high | 97.5 | Very high | 112 Ų | 112 | 96.3 Ų | 96.3 | 49% | 0.487 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -56.7 | -37.3 | 175.3 | -171.2 | -175.5 | -169.3 | -179 | 0 | 112.6 | E42 K64 Y72 | E42-K68 IonicContact OE2-NZ 2.66Å; E42-K68 PolarHBondContact OE2-NZ 2.97Å; K64-K68 VanDerWaalsContact O-CB 3.32Å; K64-K68 WeakPolarHBondContact O-CB 3.28Å; K64-K68 PolarHBondContact O-N 3.24Å; K68-Y72 WeakPolarHBondContact O-CB 3.43Å; K68-Y72 PolarHBondContact O-N 3.42Å |
| 69 | Y | 97.9 | Very high | 97.4 | Very high | 160 Ų | 160 | 102.2 Ų | 102.2 | 63% | 0.627 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 173.8 | 172 | -104.4 | 0 | 0 | 0 | 112.2 | V65 L66 L67 E71 Y72 | V65-Y69 PolarHBondContact O-N 3.07Å; L66-Y69 WeakPolarHBondContact O-CB 3.24Å; L66-Y69 PolarHBondContact O-N 3.22Å; L67-Y69 VanDerWaalsContact C-N 3.25Å; L67-Y69 PolarHBondContact O-N 3.01Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.04Å; Y69-Y72 PolarHBondContact O-N 2.89Å |
| 70 | T | 97.7 | Very high | 97.3 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.9 | -23.7 | 178.5 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | L66 L67 | L66-T70 PolarHBondContact O-N 3.44Å; L66-T70 PolarHBondContact O-OG1 3.48Å; L67-T70 WeakPolarHBondContact CA-OG1 3.28Å; L67-T70 PolarHBondContact O-N 2.9Å; L67-T70 PolarHBondContact O-OG1 3.35Å |
| 71 | E | 97.7 | Very high | 97.3 | Very high | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -9.5 | 176 | -67.9 | 175.7 | 175 | 0 | 0 | 113 | L67 Y69 N73 | L67-E71 HydrophobicContact CD1-CG 4.41Å; L67-E71 WeakPolarHBondContact CD1-OE1 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.49Å; L67-E71 PolarHBondContact O-N 3.09Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.04Å; E71-N73 PolarHBondContact O-N 3.42Å; E71-N73 PolarHBondContact O-ND2 2.65Å |
| 72 | Y | 96.5 | Very high | 97.2 | Very high | 125 Ų | 125 | 107.2 Ų | 107.2 | 49% | 0.49 | 54% | 0.54 | S | S | . | . | | | trans | -83 | 107 | -173.9 | -159.7 | -88.8 | 0 | 0 | 0 | 112.3 | K68 Y69 E74 H76 | K68-Y72 WeakPolarHBondContact O-CB 3.43Å; K68-Y72 PolarHBondContact O-N 3.42Å; Y69-Y72 PolarHBondContact O-N 2.89Å; Y72-E74 HydrophobicContact CD1-CB 4.38Å; Y72-E74 HydrophobicContact CE1-CB 3.65Å; Y72-E74 VanDerWaalsContact CE1-O 3.28Å; Y72-E74 WeakPolarHBondContact CE1-O 3.01Å; Y72-H76 AromaticContact CD1-ND1 3.92Å; Y72-H76 HydrophobicContact CE1-CB 4Å |
| 73 | N | 95.2 | Very high | 97.1 | Very high | 148 Ų | 148 | 109 Ų | 109 | 79% | 0.791 | 55% | 0.55 | S | S | * | * | | | trans | -103.9 | -5 | -175.6 | -72.9 | -89.7 | 0 | 0 | 0 | 114.3 | E71 | E71-N73 PolarHBondContact O-N 3.42Å; E71-N73 PolarHBondContact O-ND2 2.65Å |
| 74 | E | 96.1 | Very high | 96.9 | Very high | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -81 | 154.6 | -179.3 | -67.3 | -61.8 | 148.3 | 0 | 0 | 112.4 | Y72 H76 | Y72-E74 HydrophobicContact CD1-CB 4.38Å; Y72-E74 HydrophobicContact CE1-CB 3.65Å; Y72-E74 VanDerWaalsContact CE1-O 3.28Å; Y72-E74 WeakPolarHBondContact CE1-O 3.01Å; E74-H76 PolarHBondContact O-N 2.8Å; E74-H76 PolarHBondContact O-ND1 3.3Å |
| 75 | P | 96.9 | Very high | 96.6 | Very high | 119 Ų | 119 | 106.4 Ų | 106.4 | 77% | 0.773 | 55% | 0.546 | S | S | * | . | | | trans | -56.1 | 132.3 | 171.2 | -23.9 | 34.4 | 0 | 0 | 0 | 111.8 | | |
| 76 | H | 95.4 | Very high | 96.2 | Very high | 106 Ų | 106 | 113.2 Ų | 113.2 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | | | trans | -140.8 | 158.3 | -176.7 | 54.6 | -88.2 | 0 | 0 | 0 | 111.8 | Y72 E74 S78 | Y72-H76 AromaticContact CD1-ND1 3.92Å; Y72-H76 HydrophobicContact CE1-CB 4Å; E74-H76 PolarHBondContact O-N 2.8Å; E74-H76 PolarHBondContact O-ND1 3.3Å; H76-S78 PolarHBondContact O-N 2.73Å |
| 77 | E | 96.8 | Very high | 95.7 | Very high | 147 Ų | 147 | 113.4 Ų | 113.4 | 69% | 0.687 | 59% | 0.587 | S | S | * | * | | | trans | -69.9 | 114.8 | 173 | -179.4 | 169 | -162.8 | 0 | 0 | 110 | R79 | E77-R79 HydrophobicContact CG-CG 4.06Å; E77-R79 IonicContact OE1-CZ 3.92Å; E77-R79 IonicContact OE1-NE 2.61Å; E77-R79 PolarHBondContact OE1-NE 2.83Å; E77-R79 IonicContact OE1-NH2 3.53Å; E77-R79 PolarHBondContact OE1-NH2 2.61Å |
| 78 | S | 96.4 | Very high | 94.8 | Very high | 91 Ų | 91 | 113.2 Ų | 113.2 | 64% | 0.636 | 59% | 0.59 | S | S | * | * | | | trans | -115.9 | 133.6 | 171.7 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | H76 | H76-S78 PolarHBondContact O-N 2.73Š|
| 79 | R | 96.5 | Very high | 93.8 | Very high | 147 Ų | 147 | 112.6 Ų | 112.6 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | | | trans | -134.8 | 133 | -175.6 | -64.3 | -66.8 | -170.1 | 163.5 | 2.6 | 110.8 | E77 | E77-R79 HydrophobicContact CG-CG 4.06Å; E77-R79 IonicContact OE1-CZ 3.92Å; E77-R79 IonicContact OE1-NE 2.61Å; E77-R79 PolarHBondContact OE1-NE 2.83Å; E77-R79 IonicContact OE1-NH2 3.53Å; E77-R79 PolarHBondContact OE1-NH2 2.61Å |
| 80 | T | 97.6 | Very high | 92.3 | Very high | 75 Ų | 75 | 109.1 Ų | 109.1 | 46% | 0.46 | 59% | 0.594 | S | S | . | * | | | trans | -106 | 176.8 | 170.9 | 78.1 | 0 | 0 | 0 | 0 | 110.8 | S82 D83 I84 | T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 PolarHBondContact OG1-N 3.1Å; T80-D83 WeakPolarHBondContact CA-OD2 3.42Å; T80-D83 VanDerWaalsContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 PolarHBondContact O-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.8Å; T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 3.03Å |
| 81 | N | 96.2 | Very high | 90.5 | Very high | 136 Ų | 136 | 108.8 Ų | 108.8 | 73% | 0.727 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.2 | -29.1 | 174 | -69.7 | -35.3 | 0 | 0 | 0 | 112.8 | V85 | N81-V85 VanDerWaalsContact O-CG2 3.31Å; N81-V85 WeakPolarHBondContact O-CG2 3.48Å; N81-V85 PolarHBondContact O-N 2.78Å; N81-V85 VanDerWaalsContact O-N 3.11Å |
| 82 | S | 96 | Very high | 88.1 | Confident | 77 Ų | 77 | 109.3 Ų | 109.3 | 54% | 0.538 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.3 | -49.3 | 178.1 | -55.9 | 0 | 0 | 0 | 0 | 110.7 | T80 I84 V85 E86 | T80-S82 PolarHBondContact O-N 3.4Å; T80-S82 PolarHBondContact OG1-N 3.1Å; S82-I84 PolarHBondContact O-N 3.44Å; S82-V85 PolarHBondContact O-N 3.33Å; S82-E86 PolarHBondContact O-N 3.16Å |
| 83 | D | 96.1 | Very high | 86.2 | Confident | 57 Ų | 57 | 111.7 Ų | 111.7 | 31% | 0.305 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -58.6 | -36.6 | 178.3 | -49.5 | -86 | 0 | 0 | 0 | 112.2 | T80 A87 | T80-D83 WeakPolarHBondContact CA-OD2 3.42Å; T80-D83 VanDerWaalsContact CB-OD2 3.26Å; T80-D83 WeakPolarHBondContact CB-OD2 3.36Å; T80-D83 PolarHBondContact N-OD2 3.49Å; T80-D83 PolarHBondContact O-N 3.42Å; T80-D83 PolarHBondContact OG1-OD2 2.8Å; D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.2Å; D83-A87 PolarHBondContact O-N 2.86Å |
| 84 | I | 95.1 | Very high | 83.9 | Confident | 89 Ų | 89 | 113 Ų | 113 | 46% | 0.456 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.7 | -38.2 | 177.3 | -64.1 | 167.2 | 0 | 0 | 0 | 111.2 | T80 S82 V88 | T80-I84 WeakPolarHBondContact O-CG1 3.38Å; T80-I84 PolarHBondContact O-N 3.03Å; S82-I84 PolarHBondContact O-N 3.44Å; I84-V88 HydrophobicContact CG2-CG2 4.45Å; I84-V88 WeakPolarHBondContact O-CB 3.28Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 3.23Å; I84-V88 VanDerWaalsContact O-N 3.1Å |
| 85 | V | 92.2 | Very high | 82 | Confident | 111 Ų | 111 | 114.8 Ų | 114.8 | 67% | 0.673 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.9 | -36.6 | 178.1 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | N81 S82 | N81-V85 VanDerWaalsContact O-CG2 3.31Å; N81-V85 WeakPolarHBondContact O-CG2 3.48Å; N81-V85 PolarHBondContact O-N 2.78Å; N81-V85 VanDerWaalsContact O-N 3.11Å; S82-V85 PolarHBondContact O-N 3.33Å |
| 86 | E | 89.8 | Confident | 79.8 | Confident | 163 Ų | 163 | 114.5 Ų | 114.5 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.9 | -37.8 | 175.4 | -69 | 177.1 | -165.3 | 0 | 0 | 112.6 | S82 V88 | S82-E86 PolarHBondContact O-N 3.16Å; E86-V88 VanDerWaalsContact C-N 3.35Å |
| 87 | A | 87.6 | Confident | 77.9 | Confident | 69 Ų | 69 | 114.5 Ų | 114.5 | 57% | 0.57 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -74 | -21.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D83 P89 | D83-A87 VanDerWaalsContact O-CB 3.23Å; D83-A87 WeakPolarHBondContact O-CB 3.2Å; D83-A87 PolarHBondContact O-N 2.86Å; A87-P89 WeakPolarHBondContact O-CD 3.31Å |
| 88 | V | 79.3 | Confident | 75.7 | Confident | 90 Ų | 90 | 112.6 Ų | 112.6 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -84.5 | 114.3 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 108.8 | I84 E86 | I84-V88 HydrophobicContact CG2-CG2 4.45Å; I84-V88 WeakPolarHBondContact O-CB 3.28Å; I84-V88 VanDerWaalsContact O-CG2 3.24Å; I84-V88 WeakPolarHBondContact O-CG2 3.33Å; I84-V88 PolarHBondContact O-N 3.23Å; I84-V88 VanDerWaalsContact O-N 3.1Å; E86-V88 VanDerWaalsContact C-N 3.35Å |
| 89 | P | 76.9 | Confident | 73.9 | Confident | 99 Ų | 99 | 114.1 Ų | 114.1 | 64% | 0.643 | 63% | 0.633 | S | S | * | * | | | trans | -56.3 | 139.2 | 176.3 | -23 | 33.6 | 0 | 0 | 0 | 110 | A87 | A87-P89 WeakPolarHBondContact O-CD 3.31Š|
| 90 | P | 65.6 | Low | 71.7 | Confident | 88 Ų | 88 | 112.6 Ų | 112.6 | 57% | 0.571 | 64% | 0.643 | S | S | * | * | | | trans | -54.3 | 146.2 | 170.8 | 25 | -33.8 | 0 | 0 | 0 | 108.6 | N92 | P90-N92 PolarHBondContact O-N 2.77Š|
| 91 | P | 60.3 | Low | 69.3 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 62% | 0.617 | 65% | 0.653 | S | S | * | * | | | trans | -69.5 | 82.3 | 178.1 | 29.9 | -34.9 | 0 | 0 | 0 | 109.3 | F93 | P91-F93 HydrophobicContact CB-CD2 4.21Å; P91-F93 HydrophobicContact CB-CE2 3.98Å; P91-F93 WeakPolarHBondContact O-CD2 3.17Å; P91-F93 PolarHBondContact O-N 2.98Å |
| 92 | N | 48 | Very low | 66.7 | Low | 135 Ų | 135 | 112.1 Ų | 112.1 | 72% | 0.722 | 65% | 0.648 | S | S | * | * | | | trans | -62 | 100.7 | 177.2 | -84.7 | -21.9 | 0 | 0 | 0 | 108.7 | P90 E94 | P90-N92 PolarHBondContact O-N 2.77Å; N92-E94 VanDerWaalsContact C-N 3.27Å |
| 93 | F | 56.8 | Low | 64.2 | Low | 175 Ų | 175 | 113.4 Ų | 113.4 | 77% | 0.768 | 66% | 0.657 | S | S | * | * | | | trans | -92.5 | 17 | 173.5 | -82.8 | -72.8 | 0 | 0 | 0 | 112.3 | P91 | P91-F93 HydrophobicContact CB-CD2 4.21Å; P91-F93 HydrophobicContact CB-CE2 3.98Å; P91-F93 WeakPolarHBondContact O-CD2 3.17Å; P91-F93 PolarHBondContact O-N 2.98Å |
| 94 | E | 46.9 | Very low | 61.4 | Low | 175 Ų | 175 | 118.4 Ų | 118.4 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | | | trans | -109.8 | 100.8 | 167.2 | -74.5 | -174.4 | 126.6 | 0 | 0 | 110 | N92 P96 | N92-E94 VanDerWaalsContact C-N 3.27Å; E94-P96 WeakPolarHBondContact O-CD 3.21Å |
| 95 | M | 55 | Low | 58.8 | Low | 167 Ų | 167 | 121.8 Ų | 121.8 | 82% | 0.823 | 70% | 0.697 | S | S | * | * | | | trans | -73.4 | 114.7 | 147.8 | -90.1 | -100.7 | -95.4 | 0 | 0 | 106.6 | V97 | M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 HydrophobicContact CB-CG2 4.44Å; M95-V97 PolarHBondContact O-N 2.73Å |
| 96 | P | 52.4 | Low | 56.5 | Low | 112 Ų | 112 | 121.1 Ų | 121.1 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | -69.1 | 95.4 | 167.9 | 29 | -32.4 | 0 | 0 | 0 | 107.9 | E94 S98 | E94-P96 WeakPolarHBondContact O-CD 3.21Å; P96-S98 PolarHBondContact O-N 3.28Å |
| 97 | V | 53.4 | Low | 54 | Low | 107 Ų | 107 | 121.5 Ų | 121.5 | 65% | 0.648 | 70% | 0.704 | S | S | * | * | | | trans | -74.9 | 77.1 | 169.8 | 175.6 | 0 | 0 | 0 | 0 | 107.7 | M95 I99 | M95-V97 VanDerWaalsContact C-N 3.31Å; M95-V97 HydrophobicContact CB-CG2 4.44Å; M95-V97 PolarHBondContact O-N 2.73Å; V97-I99 VanDerWaalsContact C-N 3.27Å; V97-I99 HydrophobicContact CG1-CD1 3.84Å; V97-I99 HydrophobicContact CG1-CG1 3.77Å; V97-I99 PolarHBondContact O-N 2.92Å |
| 98 | S | 52.7 | Low | 51.9 | Low | 106 Ų | 106 | 125.1 Ų | 125.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | | | trans | -75.1 | 81.2 | 170.9 | 58.4 | 0 | 0 | 0 | 0 | 109.4 | P96 P100 | P96-S98 PolarHBondContact O-N 3.28Å; S98-P100 WeakPolarHBondContact O-CD 3.34Å |
| 99 | I | 57 | Low | 50.1 | Low | 123 Ų | 123 | 131.6 Ų | 131.6 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | | | trans | -71.8 | 120.6 | 164.6 | -66.1 | 159.2 | 0 | 0 | 0 | 107.1 | V97 V101 | V97-I99 VanDerWaalsContact C-N 3.27Å; V97-I99 HydrophobicContact CG1-CD1 3.84Å; V97-I99 HydrophobicContact CG1-CG1 3.77Å; V97-I99 PolarHBondContact O-N 2.92Å; I99-V101 HydrophobicContact CG2-CG2 4.05Å; I99-V101 PolarHBondContact O-N 2.84Å |
| 100 | P | 50.4 | Low | 48.4 | Very low | 116 Ų | 116 | 131.5 Ų | 131.5 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | | | trans | -70.9 | 98.2 | 169.4 | 29.3 | -32.1 | 0 | 0 | 0 | 108.7 | S98 S102 | S98-P100 WeakPolarHBondContact O-CD 3.34Å; P100-S102 PolarHBondContact O-N 3.23Å |
| 101 | V | 48.5 | Very low | 47.5 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 67% | 0.667 | 75% | 0.747 | S | S | * | * | | | trans | -78.1 | 89.3 | 172.6 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | I99 S103 | I99-V101 HydrophobicContact CG2-CG2 4.05Å; I99-V101 PolarHBondContact O-N 2.84Å; V101-S103 WeakPolarHBondContact CG1-OG 3.37Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.17Å |
| 102 | S | 41.8 | Very low | 46.9 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 63% | 0.629 | 75% | 0.752 | S | S | * | * | | | trans | -78.3 | 86.3 | 163.9 | 56.7 | 0 | 0 | 0 | 0 | 109.3 | P100 H104 | P100-S102 PolarHBondContact O-N 3.23Å; S102-H104 PolarHBondContact O-CD2 3.39Å; S102-H104 PolarHBondContact O-NE2 2.9Å |
| 103 | S | 42.6 | Very low | 46.6 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -94.3 | 108.6 | 172.1 | -71 | 0 | 0 | 0 | 0 | 110.6 | V101 | V101-S103 WeakPolarHBondContact CG1-OG 3.37Å; V101-S103 PolarHBondContact O-N 2.9Å; V101-S103 VanDerWaalsContact O-N 3.17Å |
| 104 | H | 37.8 | Very low | 45.9 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -88.7 | 113.2 | 177.4 | -35.2 | -96 | 0 | 0 | 0 | 109.9 | S102 | S102-H104 PolarHBondContact O-CD2 3.39Å; S102-H104 PolarHBondContact O-NE2 2.9Å |
| 105 | N | 40.4 | Very low | 45.7 | Very low | 160 Ų | 160 | 127.8 Ų | 127.8 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | | | trans | -167.5 | 164.5 | 145.8 | -132.1 | -20.2 | 0 | 0 | 0 | 116.1 | | |
| 106 | S | 42.4 | Very low | 45.3 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | 62 | 74.9 | 164.8 | 69.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 107 | L | 38.8 | Very low | 44.8 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | | | | 18.7 | 116.4 | 119.9 | -60.4 | 168.8 | 0 | 0 | 0 | 118.8 | | |
| 108 | V | 43.3 | Very low | 44.4 | Very low | 146 Ų | 146 | 128 Ų | 128 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | trans | -145.2 | 139.3 | 138.7 | -159.9 | 0 | 0 | 0 | 0 | 110 | | |
| 109 | Y | 40.5 | Very low | 44.2 | Very low | 225 Ų | 225 | 128.4 Ų | 128.4 | 88% | 0.882 | 76% | 0.758 | S | S | * | * | | | trans | -51 | 155.8 | 169.1 | -89.1 | -125.9 | 0 | 0 | 0 | 112.6 | | |
| 110 | S | 41.5 | Very low | 43.4 | Very low | 97 Ų | 97 | 129 Ų | 129 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | cis | -156 | -168.5 | -0.8 | 62.7 | 0 | 0 | 0 | 0 | 108 | | |
| 111 | N | 47.4 | Very low | 43.1 | Very low | 150 Ų | 150 | 131.3 Ų | 131.3 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | cis | -152 | 174.7 | 7.5 | -135 | 11.8 | 0 | 0 | 0 | 108.9 | | |
| 112 | P | 47.6 | Very low | 43 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | | | trans | -105.3 | 164.9 | -162.4 | 40.1 | -37.1 | 0 | 0 | 0 | 115.9 | | |
| 113 | V | 40.8 | Very low | 43 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | | | | -178.2 | 136.4 | 121.8 | 63.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 114 | S | 43.8 | Very low | 42.9 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 55 | 147.1 | 159.6 | 60.8 | 0 | 0 | 0 | 0 | 120.5 | | |
| 115 | S | 42.1 | Very low | 43.2 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | cis | -171.7 | 144.1 | -6.6 | 154.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 116 | L | 46.2 | Very low | 43.3 | Very low | 169 Ų | 169 | 136.4 Ų | 136.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | 16.3 | 132.9 | 159.3 | -61.6 | 92.5 | 0 | 0 | 0 | 119.2 | | |
| 117 | G | 42.5 | Very low | 43.4 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | cis | 170.7 | 171.4 | 8.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 118 | N | 43.9 | Very low | 43.6 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -51 | 158.9 | 179.8 | -121.9 | 23 | 0 | 0 | 0 | 113.6 | | |
| 119 | P | 48.9 | Very low | 43.5 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | -149.9 | 172.7 | 58.5 | 41.4 | -21.6 | 0 | 0 | 0 | 118.6 | | |
| 120 | N | 39.8 | Very low | 43.8 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | trans | -46.4 | 142.9 | 149.8 | -71.9 | -51.1 | 0 | 0 | 0 | 111.1 | | |
| 121 | L | 44.7 | Very low | 43.5 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | | | trans | 171.5 | 128.9 | 130.5 | -91.8 | 160.1 | 0 | 0 | 0 | 108.9 | | |
| 122 | L | 47.1 | Very low | 43.3 | Very low | 171 Ų | 171 | 142 Ų | 142 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | -65.9 | 144.7 | 163.3 | -66 | 167.2 | 0 | 0 | 0 | 108.4 | | |
| 123 | P | 42 | Very low | 42.9 | Very low | 119 Ų | 119 | 141.2 Ų | 141.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | | -142.4 | 145.6 | 112 | 34 | -19.2 | 0 | 0 | 0 | 115.9 | | |
| 124 | L | 38.5 | Very low | 43.3 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | | | trans | -35.6 | 127.2 | 160.1 | -172.8 | 74.7 | 0 | 0 | 0 | 115 | | |
| 125 | A | 44.9 | Very low | 43.3 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | | | trans | -154.4 | 101.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 126 | H | 43 | Very low | 43.3 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -84.8 | 154.3 | 139.1 | -69.2 | -176.3 | 0 | 0 | 0 | 106.1 | | |
| 127 | P | 44.9 | Very low | 43.3 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | | | cis | -152.7 | -172.9 | 46.8 | 42.3 | -21 | 0 | 0 | 0 | 116.3 | | |
| 128 | S | 42.8 | Very low | 43.5 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | | 143.6 | 135.6 | 129.2 | 63.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 129 | L | 41 | Very low | 43.6 | Very low | 177 Ų | 177 | 141.1 Ų | 141.1 | 93% | 0.927 | 81% | 0.81 | S | S | * | * | | | trans | -84.1 | 134.4 | 176.9 | -66.1 | 161.4 | 0 | 0 | 0 | 109.2 | | |
| 130 | Q | 46.4 | Very low | 43.4 | Very low | 207 Ų | 207 | 143.9 Ų | 143.9 | 97% | 0.967 | 81% | 0.813 | S | S | * | * | | | trans | -126.3 | 136.3 | 152.4 | -82.4 | -144.6 | -40 | 0 | 0 | 111.7 | | |
| 131 | R | 35.2 | Very low | 43.3 | Very low | 235 Ų | 235 | 147.9 Ų | 147.9 | 89% | 0.887 | 82% | 0.818 | S | S | * | * | | | trans | -116.9 | 127.7 | -173.9 | 178.5 | -165.7 | -146.2 | -157.3 | 7.1 | 107.2 | | |
| 132 | N | 43.7 | Very low | 44 | Very low | 148 Ų | 148 | 145.3 Ų | 145.3 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | trans | -169.7 | 119 | 155.1 | -93.9 | -7.5 | 0 | 0 | 0 | 105 | | |
| 133 | S | 38.1 | Very low | 44.1 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | | | | 70.9 | 144 | 56.1 | -161.5 | 0 | 0 | 0 | 0 | 113 | | |
| 134 | M | 49.2 | Very low | 44 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | 88.7 | 88.8 | -166.3 | -43.2 | -33.4 | 141 | 0 | 0 | 113 | | |
| 135 | S | 43.7 | Very low | 44.4 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | | 74.8 | 141.6 | 72.1 | -69.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 136 | P | 43.1 | Very low | 44.1 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -100.9 | 147.1 | -143.3 | 37.1 | -34.7 | 0 | 0 | 0 | 115.8 | | |
| 137 | G | 45.2 | Very low | 44.2 | Very low | 82 Ų | 82 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | | | trans | -112.4 | 134.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 138 | V | 47.4 | Very low | 44 | Very low | 131 Ų | 131 | 138.4 Ų | 138.4 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | | | trans | -85.7 | 161.1 | -171.9 | -77.6 | 0 | 0 | 0 | 0 | 114.7 | | |
| 139 | T | 46 | Very low | 43.9 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | 111.3 | 143.7 | 144.5 | 73.3 | 0 | 0 | 0 | 0 | 122.1 | | |
| 140 | H | 44 | Very low | 43.9 | Very low | 171 Ų | 171 | 131.3 Ų | 131.3 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | 75.2 | 87.4 | 152.8 | -66.1 | -53.9 | 0 | 0 | 0 | 122.8 | | |
| 141 | R | 37.7 | Very low | 44 | Very low | 219 Ų | 219 | 129.2 Ų | 129.2 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 135.7 | 138.7 | 170 | -172.1 | 177.9 | -141.2 | 3.1 | 110.2 | | |
| 142 | P | 60.4 | Low | 44.7 | Very low | 111 Ų | 111 | 127 Ų | 127 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 146.2 | 159.9 | 34.3 | -29.4 | 0 | 0 | 0 | 112 | | |
| 143 | P | 48.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 171 | 175.4 | 37.7 | -34.2 | 0 | 0 | 0 | 113.4 | | |
| 144 | S | 41.5 | Very low | 44.8 | Very low | 124 Ų | 124 | 122.3 Ų | 122.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 141 | -177.9 | -48.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 145 | A | 46.6 | Very low | 44.4 | Very low | 100 Ų | 100 | 122.3 Ų | 122.3 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | -105.2 | 146.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 146 | G | 38.3 | Very low | 44.6 | Very low | 74 Ų | 74 | 123.6 Ų | 123.6 | 76% | 0.763 | 79% | 0.794 | S | S | * | * | | | cis | 102.6 | 70.8 | 16.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 147 | N | 43.8 | Very low | 44.4 | Very low | 160 Ų | 160 | 123.4 Ų | 123.4 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | | | trans | -121.9 | 103.1 | -179.5 | -165.5 | 64 | 0 | 0 | 0 | 111.4 | | |
| 148 | T | 40.9 | Very low | 44 | Very low | 141 Ų | 141 | 125.7 Ų | 125.7 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | | | trans | -114.7 | 128.8 | 173 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 149 | G | 41.7 | Very low | 43.7 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | 153.6 | 142.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 150 | G | 41.7 | Very low | 43.3 | Very low | 67 Ų | 67 | 123.4 Ų | 123.4 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 92.9 | 81 | 172 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 151 | L | 48.7 | Very low | 43.1 | Very low | 164 Ų | 164 | 118.9 Ų | 118.9 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | | 75.3 | 141.6 | 66.7 | -61.9 | 172.7 | 0 | 0 | 0 | 114.6 | | |
| 152 | M | 49.2 | Very low | 43.1 | Very low | 188 Ų | 188 | 115 Ų | 115 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | | | trans | 74.5 | 122.7 | -179.1 | -40.4 | -56.5 | -82.6 | 0 | 0 | 115.3 | | |
| 153 | G | 41.8 | Very low | 42.2 | Very low | 76 Ų | 76 | 115 Ų | 115 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | | | cis | 149.8 | 123.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 154 | G | 42.8 | Very low | 42.2 | Very low | 67 Ų | 67 | 114.9 Ų | 114.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | | | trans | 61.8 | 160.9 | 166 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 155 | D | 40.2 | Very low | 42.2 | Very low | 149 Ų | 149 | 112.7 Ų | 112.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | cis | -159.1 | 147.9 | -19 | -102.1 | -47.8 | 0 | 0 | 0 | 110.4 | | |
| 156 | L | 46.8 | Very low | 42 | Very low | 143 Ų | 143 | 116.1 Ų | 116.1 | 75% | 0.749 | 82% | 0.82 | S | S | * | * | | | trans | 43.6 | 129.7 | 141.5 | -61.5 | 172.3 | 0 | 0 | 0 | 123.5 | | |
| 157 | T | 39.6 | Very low | 42.2 | Very low | 128 Ų | 128 | 115.2 Ų | 115.2 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | | | trans | 82.4 | 110.8 | 138.1 | 57.5 | 0 | 0 | 0 | 0 | 122.5 | | |
| 158 | S | 37.6 | Very low | 42.3 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | | 24.4 | 115 | 125.1 | -156.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 159 | G | 39.4 | Very low | 42.6 | Very low | 79 Ų | 79 | 116.1 Ų | 116.1 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | | | trans | -178.4 | 118.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 160 | A | 38.7 | Very low | 42.8 | Very low | 115 Ų | 115 | 119.5 Ų | 119.5 | 95% | 0.95 | 81% | 0.813 | S | S | * | * | | | trans | -78.1 | 137.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 161 | G | 38.7 | Very low | 43 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | 179.6 | 112.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 162 | T | 37.9 | Very low | 42.6 | Very low | 138 Ų | 138 | 125.2 Ų | 125.2 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | -61.7 | 140.8 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 163 | S | 42.5 | Very low | 42.3 | Very low | 112 Ų | 112 | 122.3 Ų | 122.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | | 162.1 | 151.1 | 104.1 | 55.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 164 | A | 47.2 | Very low | 42.3 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | | | trans | 61.1 | 114.4 | 152 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 165 | G | 42.4 | Very low | 42.6 | Very low | 78 Ų | 78 | 126.4 Ų | 126.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -170.1 | 103.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 166 | N | 42.8 | Very low | 42.8 | Very low | 172 Ų | 172 | 123.2 Ų | 123.2 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | | | trans | -65.5 | 160.6 | -175.9 | -74.5 | -6.4 | 0 | 0 | 0 | 113.8 | | |
| 167 | G | 42.3 | Very low | 42.6 | Very low | 56 Ų | 56 | 124.5 Ų | 124.5 | 58% | 0.577 | 82% | 0.817 | S | S | * | * | | | cis | 171.6 | -168.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 168 | Y | 45.9 | Very low | 42.8 | Very low | 241 Ų | 241 | 126.4 Ų | 126.4 | 95% | 0.945 | 82% | 0.822 | S | S | * | * | | | trans | 67.1 | 117.8 | -176.2 | -49 | -81 | 0 | 0 | 0 | 114.5 | | |
| 169 | G | 46.9 | Very low | 43.2 | Very low | 79 Ų | 79 | 126.1 Ų | 126.1 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | | | cis | 123.1 | 129.5 | 15.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 170 | N | 44.9 | Very low | 43.6 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | | | cis | -162.3 | 133.8 | 18.2 | 168.2 | 44.2 | 0 | 0 | 0 | 110.5 | | |
| 171 | P | 45.7 | Very low | 44 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -118.7 | 127.4 | 168 | 35.8 | -23.9 | 0 | 0 | 0 | 113.4 | | |
| 172 | R | 42.3 | Very low | 44.5 | Very low | 237 Ų | 237 | 128.5 Ų | 128.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | 178.8 | 161.2 | 166.4 | -105.5 | 161.3 | 159.4 | -175.5 | -6.5 | 110.2 | | |
| 173 | N | 42 | Very low | 44.7 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 68% | 0.679 | 80% | 0.803 | S | S | * | * | | | cis | 179.5 | 113.4 | -28.8 | 169.5 | 93.3 | 0 | 0 | 0 | 109.7 | | |
| 174 | S | 41.9 | Very low | 45.2 | Very low | 97 Ų | 97 | 129.9 Ų | 129.9 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 68.1 | -176.4 | 147.7 | -40.7 | 0 | 0 | 0 | 0 | 117.4 | | |
| 175 | P | 48.8 | Very low | 45 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | | -127.5 | 165.1 | -109.7 | 32.7 | -11.2 | 0 | 0 | 0 | 115.7 | | |
| 176 | G | 44.4 | Very low | 45.2 | Very low | 81 Ų | 81 | 135.7 Ų | 135.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | -167.3 | 138.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 177 | L | 42 | Very low | 44.9 | Very low | 170 Ų | 170 | 134.4 Ų | 134.4 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -90.4 | 123.9 | -178.4 | -66.7 | 156.4 | 0 | 0 | 0 | 112 | | |
| 178 | L | 45.4 | Very low | 45.4 | Very low | 169 Ų | 169 | 138.8 Ų | 138.8 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | | | trans | -152.2 | 103.4 | 155.7 | -70.7 | -179.6 | 0 | 0 | 0 | 107.5 | | |
| 179 | V | 44.2 | Very low | 45.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | | | | 56.7 | 104.5 | 84.8 | 175.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 180 | S | 49.6 | Very low | 45.1 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -164.3 | 97.6 | 150.5 | -82.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 181 | P | 46.8 | Very low | 44.9 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -96.4 | 145.1 | 173.9 | 35.5 | -30.3 | 0 | 0 | 0 | 112.1 | | |
| 182 | G | 47.7 | Very low | 44.8 | Very low | 75 Ų | 75 | 139.3 Ų | 139.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -155.6 | 89.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 183 | N | 42.1 | Very low | 45.1 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | 81.4 | 109.8 | 87.8 | -96.2 | 10.8 | 0 | 0 | 0 | 114.9 | | |
| 184 | L | 54.3 | Low | 46.3 | Very low | 143 Ų | 143 | 132.9 Ų | 132.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | | 66.8 | 144.4 | 126.4 | -59.2 | 176.6 | 0 | 0 | 0 | 119.4 | | |
| 185 | N | 43.1 | Very low | 46.5 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | | | cis | -172.4 | 170.3 | -17.7 | -166.6 | -2.7 | 0 | 0 | 0 | 107.3 | | |
| 186 | K | 46 | Very low | 46.8 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 78% | 0.783 | 79% | 0.792 | S | S | * | * | | | trans | 74.9 | 104.4 | 167.1 | -51.2 | 170.3 | -174.5 | 177.5 | 0 | 114.7 | | |
| 187 | N | 36 | Very low | 46.7 | Very low | 144 Ų | 144 | 138.8 Ų | 138.8 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | | 71.2 | 104.5 | 64.6 | -170.6 | 64 | 0 | 0 | 0 | 113.7 | | |
| 188 | M | 53.7 | Low | 46.9 | Very low | 149 Ų | 149 | 138.1 Ų | 138.1 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | trans | 176.7 | 142.8 | 133.1 | -96.8 | -60 | -138 | 0 | 0 | 113.6 | | |
| 189 | Q | 48.7 | Very low | 46.8 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | | | trans | 66.4 | 83 | 152 | -67.2 | -178.3 | -27.2 | 0 | 0 | 121.9 | | |
| 190 | A | 36.7 | Very low | 47 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | | 9 | 126 | 127.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 191 | K | 41.5 | Very low | 46.8 | Very low | 215 Ų | 215 | 136.2 Ų | 136.2 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | | -158.1 | 139.2 | 124.6 | -118.9 | 167.5 | -179.5 | 173.6 | 0 | 112.9 | | |
| 192 | S | 43.2 | Very low | 46.7 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 166.5 | -179.3 | 52.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 193 | P | 49.4 | Very low | 47 | Very low | 114 Ų | 114 | 143 Ų | 143 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 153.5 | -164.5 | 32.2 | -36.3 | 0 | 0 | 0 | 113.8 | | |
| 194 | P | 66.9 | Low | 47.4 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 130.9 | 179.6 | 33.3 | -32.7 | 0 | 0 | 0 | 113.4 | | |
| 195 | P | 46.2 | Very low | 47.3 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 122.8 | 160.4 | 34.3 | -26.1 | 0 | 0 | 0 | 111.2 | | |
| 196 | M | 54.1 | Low | 47.6 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | -146.7 | 121.3 | 168.4 | -61.7 | -171.5 | -64.9 | 0 | 0 | 107.1 | | |
| 197 | N | 43.7 | Very low | 47.9 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | | | cis | 96.6 | 121.7 | 27.2 | -159.7 | 23.7 | 0 | 0 | 0 | 114.4 | | |
| 198 | L | 44.7 | Very low | 49.1 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | | | trans | 53 | 118 | 166.6 | -76.1 | 152.6 | 0 | 0 | 0 | 120.2 | | |
| 199 | G | 44.1 | Very low | 49.5 | Very low | 74 Ų | 74 | 147.4 Ų | 147.4 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | | | trans | 173.5 | 105 | 164.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 200 | M | 48.3 | Very low | 50.2 | Low | 161 Ų | 161 | 147.2 Ų | 147.2 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | | | trans | -53.5 | 138.4 | -179.5 | -83.5 | 70.6 | 86.2 | 0 | 0 | 113.5 | | |
| 201 | N | 45.6 | Very low | 51.4 | Low | 144 Ų | 144 | 149.5 Ų | 149.5 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | | 176 | 132.6 | 102.5 | -91.6 | -58.9 | 0 | 0 | 0 | 115.1 | | |
| 202 | N | 45.8 | Very low | 52.6 | Low | 118 Ų | 118 | 144.4 Ų | 144.4 | 63% | 0.631 | 78% | 0.781 | S | S | * | * | | | trans | 62.9 | 116.8 | 151.3 | -88 | -39.8 | 0 | 0 | 0 | 123.1 | | |
| 203 | R | 52.3 | Low | 53.6 | Low | 218 Ų | 218 | 145.2 Ų | 145.2 | 82% | 0.823 | 78% | 0.784 | S | S | * | * | | | trans | 82.7 | 81.7 | 134.8 | -61 | 166.7 | -165.4 | -172 | -0.6 | 119.2 | | |
| 204 | K | 50.9 | Low | 53.5 | Low | 201 Ų | 201 | 143.3 Ų | 143.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -107.6 | 139.5 | 139.1 | -79.6 | 176.5 | 170 | 178.5 | 0 | 109 | | |
| 205 | P | 51.5 | Low | 52.7 | Low | 138 Ų | 138 | 143.9 Ų | 143.9 | 90% | 0.896 | 79% | 0.792 | S | S | * | * | | | trans | -83.4 | 114.4 | 160.6 | 32 | -27.1 | 0 | 0 | 0 | 108.8 | | |
| 206 | D | 50.2 | Low | 52.7 | Low | 131 Ų | 131 | 147.3 Ų | 147.3 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | | | trans | -112.6 | 117.4 | 171.2 | -176.1 | 34.7 | 0 | 0 | 0 | 108.5 | R208 | D206-R208 PolarHBondContact O-N 3.21Š|
| 207 | L | 52.5 | Low | 52.3 | Low | 159 Ų | 159 | 146.6 Ų | 146.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -91.8 | 90.5 | -167.1 | -167.8 | 75.4 | 0 | 0 | 0 | 110.3 | V209 | L207-V209 PolarHBondContact O-N 3.27Š|
| 208 | R | 61.9 | Low | 52.5 | Low | 219 Ų | 219 | 145.6 Ų | 145.6 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 116.6 | 173.6 | -57.3 | -175.1 | -162.6 | 162.1 | 6.4 | 110.2 | D206 L210 | D206-R208 PolarHBondContact O-N 3.21Å; R208-L210 PolarHBondContact O-N 3.13Å |
| 209 | V | 62.3 | Low | 52.7 | Low | 123 Ų | 123 | 146.1 Ų | 146.1 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -74.9 | 116.9 | 170.5 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | L207 I211 | L207-V209 PolarHBondContact O-N 3.27Å; V209-I211 HydrophobicContact CG1-CG1 4.39Å |
| 210 | L | 63.1 | Low | 52.9 | Low | 166 Ų | 166 | 147.4 Ų | 147.4 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | trans | -89.2 | 115.1 | 175.8 | -161.1 | 84.4 | 0 | 0 | 0 | 109.2 | R208 | R208-L210 PolarHBondContact O-N 3.13Š|
| 211 | I | 62.4 | Low | 52.6 | Low | 146 Ų | 146 | 144.2 Ų | 144.2 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 117.4 | 173.8 | -59.3 | 174.4 | 0 | 0 | 0 | 108.1 | V209 | V209-I211 HydrophobicContact CG1-CG1 4.39Š|
| 212 | P | 66.4 | Low | 52.8 | Low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 139.4 | 173.4 | 29.2 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 213 | P | 64.2 | Low | 52.5 | Low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 139.3 | -178.5 | 30.8 | -34.5 | 0 | 0 | 0 | 112 | | |
| 214 | G | 46.5 | Very low | 52.2 | Low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 123.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 215 | S | 49.9 | Very low | 51.7 | Low | 127 Ų | 127 | 145 Ų | 145 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 129 | 170.5 | -68.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 216 | K | 47.3 | Very low | 51.7 | Low | 191 Ų | 191 | 146.1 Ų | 146.1 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 138.9 | 179 | -55 | 165 | -175.4 | 174.7 | 0 | 109.4 | | |
| 217 | N | 45.5 | Very low | 51.4 | Low | 158 Ų | 158 | 146.3 Ų | 146.3 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | -165.4 | 101.9 | 154.9 | -91.7 | -17.7 | 0 | 0 | 0 | 106.8 | | |
| 218 | T | 47.5 | Very low | 50.9 | Low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | | 74.1 | 85.7 | 81.9 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 219 | M | 48 | Very low | 49.8 | Very low | 167 Ų | 167 | 139.3 Ų | 139.3 | 82% | 0.823 | 78% | 0.779 | S | S | * | * | | | | 42.5 | 161.9 | 126.5 | -72.7 | -69.6 | -94.4 | 0 | 0 | 121.8 | | |
| 220 | P | 48.9 | Very low | 49 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | | | cis | -136.6 | 167.2 | -7.9 | 32.1 | -10.6 | 0 | 0 | 0 | 117.4 | | |
| 221 | S | 42.6 | Very low | 48.2 | Very low | 93 Ų | 93 | 140 Ų | 140 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | | | trans | 27.2 | 124.3 | 139.1 | -165.6 | 0 | 0 | 0 | 0 | 122.5 | | |
| 222 | V | 49.4 | Very low | 47.2 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | | | trans | -130 | 127.4 | 138.7 | 171.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 223 | N | 39.9 | Very low | 46.3 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -100.8 | 128.1 | 176.3 | -100.7 | -36.3 | 0 | 0 | 0 | 110.8 | | |
| 224 | Q | 44.6 | Very low | 45.1 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -163.5 | 104.1 | 154.3 | -103.3 | 169 | 50.3 | 0 | 0 | 105.9 | | |
| 225 | R | 40.3 | Very low | 45.3 | Very low | 236 Ų | 236 | 146.9 Ų | 146.9 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | | | | 58.1 | 146 | 78.8 | -80.7 | -162.1 | -179.9 | -147.4 | 1.7 | 114.9 | | |
| 226 | I | 53.2 | Low | 45.1 | Very low | 161 Ų | 161 | 145.3 Ų | 145.3 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | 87.2 | 108 | -176.3 | -51.2 | 158.8 | 0 | 0 | 0 | 110.9 | | |
| 227 | N | 43.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | cis | 96.7 | 119.1 | 31.5 | -168.3 | 34.7 | 0 | 0 | 0 | 114.4 | | |
| 228 | N | 40.9 | Very low | 45.6 | Very low | 133 Ų | 133 | 140.9 Ų | 140.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | | | trans | 52.3 | 112.7 | 159.4 | -84.5 | 3.7 | 0 | 0 | 0 | 122.6 | | |
| 229 | S | 40.1 | Very low | 45.8 | Very low | 98 Ų | 98 | 141 Ų | 141 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | | | | 74.7 | 142.5 | 116.2 | -52.5 | 0 | 0 | 0 | 0 | 122.7 | | |
| 230 | Q | 45.5 | Very low | 45.8 | Very low | 191 Ų | 191 | 139.1 Ų | 139.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | | | trans | 76.9 | 92 | 162.3 | -57.5 | -172.9 | 23.6 | 0 | 0 | 119.8 | | |
| 231 | S | 44.5 | Very low | 45.7 | Very low | 114 Ų | 114 | 139 Ų | 139 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | | -176.5 | 101.7 | 129.3 | 56.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 232 | A | 43.1 | Very low | 46.2 | Very low | 93 Ų | 93 | 141 Ų | 141 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | | | | 60.5 | 95.3 | 84.2 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 233 | Q | 46.4 | Very low | 46.1 | Very low | 202 Ų | 202 | 138.8 Ų | 138.8 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | | | trans | -158.9 | 115.3 | 141.8 | -111.5 | 169 | 47.3 | 0 | 0 | 109.8 | | |
| 234 | S | 39.6 | Very low | 46.4 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -90.2 | 138.7 | -177.9 | -54.9 | 0 | 0 | 0 | 0 | 111 | | |
| 235 | L | 51 | Low | 46.7 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 97% | 0.969 | 80% | 0.8 | S | S | * | * | | | trans | -116.5 | 99.1 | 158.6 | -75.3 | 171.6 | 0 | 0 | 0 | 108 | | |
| 236 | A | 44.6 | Very low | 46.9 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -102.8 | 129.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 237 | T | 52.1 | Low | 46.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | trans | -104.5 | 141.8 | 161.2 | 44.3 | 0 | 0 | 0 | 0 | 109 | | |
| 238 | P | 52.7 | Low | 46.8 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -78.3 | 135 | -159.7 | 28.8 | -35.6 | 0 | 0 | 0 | 113.9 | | |
| 239 | V | 50.5 | Low | 46.9 | Very low | 125 Ų | 125 | 127 Ų | 127 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -71.2 | 127.5 | 157.7 | 169.6 | 0 | 0 | 0 | 0 | 108.5 | S241 | V239-S241 PolarHBondContact O-N 2.81Š|
| 240 | V | 47.2 | Very low | 47 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | | | trans | -90.8 | 96.5 | 169.5 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | | |
| 241 | S | 47.6 | Very low | 46.7 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -94.1 | 107.5 | 166.6 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | V239 A243 | V239-S241 PolarHBondContact O-N 2.81Å; S241-A243 PolarHBondContact O-N 2.7Å; S241-A243 VanDerWaalsContact O-N 3.1Å |
| 242 | V | 52.3 | Low | 46.6 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -72.3 | 99.4 | 166.1 | -87.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 243 | A | 47.2 | Very low | 46.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 129 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S241 P245 | S241-A243 PolarHBondContact O-N 2.7Å; S241-A243 VanDerWaalsContact O-N 3.1Å; A243-P245 WeakPolarHBondContact O-CD 3.19Å |
| 244 | T | 46.9 | Very low | 46.1 | Very low | 133 Ų | 133 | 123.1 Ų | 123.1 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 118.6 | 167.9 | -41.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 245 | P | 51.4 | Low | 46.3 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 119.8 | 167.4 | 30.6 | -27.5 | 0 | 0 | 0 | 110.2 | A243 | A243-P245 WeakPolarHBondContact O-CD 3.19Š|
| 246 | T | 44.8 | Very low | 45.8 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 149.9 | 168.9 | 49.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 247 | L | 49 | Very low | 45.6 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -153.6 | 147.8 | 136.3 | -131.3 | 74.6 | 0 | 0 | 0 | 110.9 | | |
| 248 | P | 45.8 | Very low | 45.1 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | trans | -115 | 178 | -170 | 42.1 | -31.9 | 0 | 0 | 0 | 114.8 | | |
| 249 | G | 41.9 | Very low | 44.8 | Very low | 66 Ų | 66 | 127.4 Ų | 127.4 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | 122.4 | 99.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 250 | Q | 42.1 | Very low | 44.2 | Very low | 206 Ų | 206 | 126.3 Ų | 126.3 | 96% | 0.963 | 80% | 0.803 | S | S | * | * | | | | 65.2 | 125.2 | 91.4 | -75.7 | -160.6 | -14.5 | 0 | 0 | 115.4 | | |
| 251 | G | 39.1 | Very low | 44 | Very low | 75 Ų | 75 | 126.4 Ų | 126.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | 172 | 32.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 252 | M | 43.3 | Very low | 43.5 | Very low | 194 Ų | 194 | 127.2 Ų | 127.2 | 96% | 0.956 | 81% | 0.805 | S | S | * | * | | | trans | 60.1 | 136 | 148.9 | -140 | 66.3 | 73.7 | 0 | 0 | 123 | | |
| 253 | G | 39.9 | Very low | 43.2 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 81% | 0.805 | S | S | * | * | | | trans | 86.9 | 136 | 165.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 254 | G | 38.4 | Very low | 42.8 | Very low | 62 Ų | 62 | 129.9 Ų | 129.9 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | cis | 174.7 | 175 | 1 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 255 | Y | 43.8 | Very low | 42.5 | Very low | 233 Ų | 233 | 129.5 Ų | 129.5 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | | | trans | 76.7 | 119.8 | -177.7 | -54.2 | -75.8 | 0 | 0 | 0 | 117.6 | | |
| 256 | P | 41.1 | Very low | 42.1 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -92.3 | 143.7 | 159.8 | 36 | -29.5 | 0 | 0 | 0 | 110.6 | | |
| 257 | S | 41.4 | Very low | 42.1 | Very low | 130 Ų | 130 | 135.8 Ų | 135.8 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | | | trans | -159.2 | 142.3 | 155.4 | -83.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 258 | A | 40.6 | Very low | 41.9 | Very low | 92 Ų | 92 | 133.3 Ų | 133.3 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | | | trans | -86 | 145.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 259 | I | 45.8 | Very low | 42 | Very low | 166 Ų | 166 | 135 Ų | 135 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | -131 | 101 | 149.4 | 37.3 | 173.2 | 0 | 0 | 0 | 107.8 | T261 | I259-T261 PolarHBondContact O-N 2.7Š|
| 260 | S | 38.8 | Very low | 42 | Very low | 102 Ų | 102 | 137.1 Ų | 137.1 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | | | trans | -75 | 116.5 | 169.2 | -63.2 | 0 | 0 | 0 | 0 | 108.2 | T262 | S260-T262 VanDerWaalsContact C-N 3.29Å; S260-T262 PolarHBondContact O-N 2.93Å |
| 261 | T | 42 | Very low | 42.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | | | trans | -74.3 | 89.2 | 166.7 | -54.9 | 0 | 0 | 0 | 0 | 108.3 | I259 Y263 | I259-T261 PolarHBondContact O-N 2.7Å; T261-Y263 PolarHBondContact O-N 3.39Å; T261-Y263 VanDerWaalsContact O-N 3.15Å |
| 262 | T | 37.1 | Very low | 42.7 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | | | trans | -60.1 | 112.6 | 171.8 | -61.9 | 0 | 0 | 0 | 0 | 109.4 | S260 | S260-T262 VanDerWaalsContact C-N 3.29Å; S260-T262 PolarHBondContact O-N 2.93Å |
| 263 | Y | 45.8 | Very low | 42.9 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | | | trans | -65.4 | 141.9 | 163.5 | -97.4 | -98.1 | 0 | 0 | 0 | 109.9 | T261 T265 | T261-Y263 PolarHBondContact O-N 3.39Å; T261-Y263 VanDerWaalsContact O-N 3.15Å; Y263-T265 PolarHBondContact O-N 3.48Å |
| 264 | G | 40.2 | Very low | 43.4 | Very low | 77 Ų | 77 | 134.2 Ų | 134.2 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | trans | -57 | 121.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 265 | T | 39.9 | Very low | 44 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -98.5 | 100.8 | 178.3 | -51.6 | 0 | 0 | 0 | 0 | 109.4 | Y263 | Y263-T265 PolarHBondContact O-N 3.48Š|
| 266 | E | 43 | Very low | 44.5 | Very low | 164 Ų | 164 | 129.8 Ų | 129.8 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | | | trans | -141.7 | 33 | 168.8 | 68.6 | -177.2 | 142.7 | 0 | 0 | 114.8 | | |
| 267 | Y | 44.5 | Very low | 44.8 | Very low | 212 Ų | 212 | 131.4 Ų | 131.4 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -131.4 | 86.3 | 161.5 | -70.3 | -74.4 | 0 | 0 | 0 | 111 | L269 | Y267-L269 PolarHBondContact O-N 2.9Å; Y267-L269 VanDerWaalsContact O-N 3.14Å |
| 268 | S | 44.4 | Very low | 45 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | | | trans | -70.7 | 100.6 | 171.4 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 269 | L | 49.1 | Very low | 44.9 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | | | trans | -95.7 | 130.6 | 162.8 | -68.3 | 177.9 | 0 | 0 | 0 | 109.4 | Y267 S271 | Y267-L269 PolarHBondContact O-N 2.9Å; Y267-L269 VanDerWaalsContact O-N 3.14Å; L269-S271 PolarHBondContact O-N 2.88Å; L269-S271 VanDerWaalsContact O-N 3.15Å |
| 270 | S | 41.9 | Very low | 44.6 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -65.4 | 112.1 | -174.5 | -71 | 0 | 0 | 0 | 0 | 111.9 | A272 | S270-A272 VanDerWaalsContact C-N 3.25Å; S270-A272 PolarHBondContact O-N 2.98Å |
| 271 | S | 45.1 | Very low | 44.5 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 73.2 | 168.9 | 40.7 | 0 | 0 | 0 | 0 | 111.1 | L269 | L269-S271 PolarHBondContact O-N 2.88Å; L269-S271 VanDerWaalsContact O-N 3.15Å |
| 272 | A | 49.9 | Very low | 44.3 | Very low | 68 Ų | 68 | 134.3 Ų | 134.3 | 56% | 0.562 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | -34.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S270 | S270-A272 VanDerWaalsContact C-N 3.25Å; S270-A272 PolarHBondContact O-N 2.98Å |
| 273 | D | 48.8 | Very low | 44.3 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -92.4 | -4.5 | -168.4 | -66.7 | -56.7 | 0 | 0 | 0 | 116.1 | S275 S276 | D273-S275 VanDerWaalsContact C-N 3.25Å; D273-S275 PolarHBondContact O-N 2.99Å; D273-S276 PolarHBondContact O-OG 3.17Å |
| 274 | L | 49.4 | Very low | 44 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 90% | 0.895 | 79% | 0.786 | S | S | * | * | G | 310 helix | trans | -80 | 2.7 | -177.9 | -66 | 179.6 | 0 | 0 | 0 | 114.9 | | |
| 275 | S | 51.6 | Low | 43.9 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -100.9 | 3.4 | -177.1 | -57.3 | 0 | 0 | 0 | 0 | 114.7 | D273 | D273-S275 VanDerWaalsContact C-N 3.25Å; D273-S275 PolarHBondContact O-N 2.99Å |
| 276 | S | 54.4 | Low | 44 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -103.8 | -2.6 | -169.3 | 60.2 | 0 | 0 | 0 | 0 | 115.6 | D273 | D273-S276 PolarHBondContact O-OG 3.17Š|
| 277 | L | 46.4 | Very low | 43.5 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | | | trans | -108.1 | 43.7 | -175.6 | -72.6 | 171.1 | 0 | 0 | 0 | 114.3 | G279 | L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.07Å |
| 278 | S | 45.4 | Very low | 43.3 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | | | trans | -84.5 | 69.5 | 164.9 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 279 | G | 39.9 | Very low | 43.1 | Very low | 51 Ų | 51 | 128.8 Ų | 128.8 | 53% | 0.526 | 79% | 0.791 | S | S | . | * | | | trans | -131.6 | -8.2 | -163.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | L277 | L277-G279 VanDerWaalsContact C-N 3.33Å; L277-G279 PolarHBondContact O-N 3.07Å |
| 280 | F | 38.9 | Very low | 42.6 | Very low | 194 Ų | 194 | 126.5 Ų | 126.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -137 | 79.7 | -171.8 | -63.3 | -72.9 | 0 | 0 | 0 | 113.8 | | |
| 281 | N | 36 | Very low | 42.9 | Very low | 171 Ų | 171 | 127.7 Ų | 127.7 | 91% | 0.914 | 79% | 0.791 | S | S | * | * | | | trans | -106.9 | 114.6 | 159.5 | -79.1 | -47.3 | 0 | 0 | 0 | 108.7 | | |
| 282 | T | 38.6 | Very low | 43 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | | | trans | -122.7 | 114 | 166.4 | 23.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 283 | A | 36.2 | Very low | 42.6 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | trans | -84.3 | 137 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 284 | S | 39.6 | Very low | 42.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -175.4 | 133.7 | 148 | -83.5 | 0 | 0 | 0 | 0 | 111 | | |
| 285 | A | 39.9 | Very low | 42.3 | Very low | 89 Ų | 89 | 133.7 Ų | 133.7 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | | | trans | 22.2 | 135.4 | 153.4 | 0 | 0 | 0 | 0 | 0 | 119.7 | | |
| 286 | L | 40.3 | Very low | 41.9 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 94% | 0.942 | 81% | 0.809 | S | S | * | * | | | | -158.2 | 161.9 | 57.5 | -78.3 | 162.7 | 0 | 0 | 0 | 112.5 | | |
| 287 | H | 34.1 | Very low | 41.2 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 79% | 0.787 | 81% | 0.814 | S | S | * | * | | | trans | -129.6 | 130.2 | -176.5 | 152.4 | -72 | 0 | 0 | 0 | 111.2 | | |
| 288 | L | 39.4 | Very low | 40.8 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | | | trans | 175.8 | 141 | 163.3 | -93.6 | 139.5 | 0 | 0 | 0 | 107 | | |
| 289 | G | 40.8 | Very low | 40.4 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | | | cis | -169 | 172.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 290 | S | 36.9 | Very low | 40.5 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | | | trans | -85.1 | 149.9 | -169.4 | 177.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 291 | V | 48.2 | Very low | 40.5 | Very low | 137 Ų | 137 | 143 Ų | 143 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -140.7 | 100 | 151.3 | -78.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 292 | T | 47.7 | Very low | 41 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | | | trans | 20.2 | 124.8 | 145.6 | 55.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 293 | G | 42.1 | Very low | 41.2 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | -88.8 | 160.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 294 | W | 50.9 | Low | 41.7 | Very low | 261 Ų | 261 | 142 Ų | 142 | 99% | 0.989 | 79% | 0.788 | S | S | * | * | | | trans | -88.4 | 150 | 179.3 | -81.4 | 80.9 | 0 | 0 | 0 | 113.1 | | |
| 295 | Q | 41.7 | Very low | 41.8 | Very low | 162 Ų | 162 | 142.1 Ų | 142.1 | 76% | 0.757 | 79% | 0.789 | S | S | * | * | | | trans | -126.7 | 127 | -163.8 | 176.1 | -168.6 | 25.6 | 0 | 0 | 110.8 | | |
| 296 | Q | 42.9 | Very low | 41.9 | Very low | 193 Ų | 193 | 141.7 Ų | 141.7 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -159 | 124.9 | 151.4 | -152.3 | 110.7 | 19.5 | 0 | 0 | 111.1 | | |
| 297 | Q | 39.6 | Very low | 41.9 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | | | trans | -97.6 | 172.5 | 166.5 | -58.8 | 175.1 | -66.9 | 0 | 0 | 108 | | |
| 298 | H | 37.5 | Very low | 42.1 | Very low | 150 Ų | 150 | 137 Ų | 137 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | | | cis | -177.2 | 167.7 | 44 | -150.3 | -96.3 | 0 | 0 | 0 | 110.7 | | |
| 299 | L | 37.2 | Very low | 42.2 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | trans | 76.3 | 108.2 | 159.6 | -80.4 | 136.7 | 0 | 0 | 0 | 124.1 | | |
| 300 | H | 41.7 | Very low | 42.2 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | | 80.2 | 127 | 117.5 | -117.8 | 58.4 | 0 | 0 | 0 | 125.3 | | |
| 301 | N | 38.3 | Very low | 42.3 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | 76.7 | 115.4 | 141.2 | -85.9 | 18.5 | 0 | 0 | 0 | 126.2 | | |
| 302 | M | 46.6 | Very low | 41.6 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 79% | 0.788 | 77% | 0.768 | S | S | * | * | | | | 79.3 | 154.8 | 128.4 | -68.5 | -58.6 | -178.8 | 0 | 0 | 120.9 | | |
| 303 | P | 44.5 | Very low | 41.2 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | | | trans | -127.4 | -149.2 | -132.9 | 51 | -35.8 | 0 | 0 | 0 | 113.9 | | |
| 304 | P | 45.6 | Very low | 41 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | | -116.2 | 167.4 | -129.9 | 23.8 | 1.7 | 0 | 0 | 0 | 116.4 | | |
| 305 | S | 42.5 | Very low | 40.4 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 76% | 0.755 | S | S | * | * | | | trans | -170.4 | 159.8 | 173.2 | -76.2 | 0 | 0 | 0 | 0 | 108.5 | | |
| 306 | A | 41.1 | Very low | 40.3 | Very low | 80 Ų | 80 | 129 Ų | 129 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | cis | -171.7 | -175.3 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 307 | L | 39.6 | Very low | 40.2 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | | | trans | 67 | 158.6 | 178.1 | -85.5 | 77.5 | 0 | 0 | 0 | 116.1 | | |
| 308 | S | 39.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | | | cis | -179.7 | 167.6 | -26.2 | -98.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 309 | Q | 41.6 | Very low | 40.1 | Very low | 152 Ų | 152 | 124.3 Ų | 124.3 | 71% | 0.71 | 74% | 0.744 | S | S | * | * | | | cis | 175.9 | 154.6 | -20.2 | 176.4 | 178.3 | -14.6 | 0 | 0 | 109.1 | | |
| 310 | L | 41.1 | Very low | 40.1 | Very low | 168 Ų | 168 | 126.2 Ų | 126.2 | 88% | 0.88 | 75% | 0.749 | S | S | * | * | | | trans | 69 | 150.6 | 179 | -60.1 | 127.4 | 0 | 0 | 0 | 115.9 | | |
| 311 | G | 37.7 | Very low | 39.8 | Very low | 67 Ų | 67 | 123.7 Ų | 123.7 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | cis | 158.8 | 122.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 312 | A | 35.4 | Very low | 40.1 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | | | | 82.2 | 89.1 | 59.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 313 | C | 37.9 | Very low | 39.6 | Very low | 110 Ų | 110 | 124.8 Ų | 124.8 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -171 | 111.6 | 150.2 | 51.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 314 | T | 38.3 | Very low | 39.5 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | | 55.6 | 126.3 | 81.7 | 65.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 315 | S | 38.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 127.2 Ų | 127.2 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | | | | 179.3 | 144.7 | 56.5 | -165 | 0 | 0 | 0 | 0 | 113.3 | | |
| 316 | T | 39.7 | Very low | 39 | Very low | 114 Ų | 114 | 129 Ų | 129 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | | | trans | 48.4 | 137.7 | 140 | 58.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 317 | H | 40.4 | Very low | 39 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | cis | -168.5 | 156.8 | 45.2 | 55.3 | -88.4 | 0 | 0 | 0 | 114.8 | | |
| 318 | L | 39.3 | Very low | 39 | Very low | 148 Ų | 148 | 127 Ų | 127 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | 33.1 | 152.8 | 139.2 | -73 | 90.5 | 0 | 0 | 0 | 121.9 | | |
| 319 | S | 35.4 | Very low | 39 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | | | cis | -179 | 173.4 | -13.9 | -92.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 320 | Q | 38 | Very low | 39.3 | Very low | 182 Ų | 182 | 129.7 Ų | 129.7 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | 73.5 | 117 | 166.9 | -60.5 | 168.6 | 7.6 | 0 | 0 | 116.3 | | |
| 321 | S | 36.1 | Very low | 39.3 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | | | cis | 85.1 | 105.7 | 35.7 | 83.3 | 0 | 0 | 0 | 0 | 115.4 | | |
| 322 | S | 43.9 | Very low | 39.7 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -159 | 109.7 | 158.7 | -77.9 | 0 | 0 | 0 | 0 | 110.2 | | |
| 323 | N | 36.4 | Very low | 40.4 | Very low | 169 Ų | 169 | 134 Ų | 134 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -89.5 | 141.6 | 163.1 | -81.7 | -70.9 | 0 | 0 | 0 | 108.5 | | |
| 324 | L | 41.4 | Very low | 40.9 | Very low | 178 Ų | 178 | 135.6 Ų | 135.6 | 93% | 0.932 | 78% | 0.78 | S | S | * | * | | | trans | -153.9 | 149.9 | 158.6 | -104.4 | 164.8 | 0 | 0 | 0 | 110.4 | | |
| 325 | S | 38.6 | Very low | 41.9 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | | | trans | -102.5 | 161.8 | -158.6 | 46.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 326 | L | 39.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | | | trans | -56.8 | 157.4 | 175.8 | -83.7 | 70.1 | 0 | 0 | 0 | 113.5 | | |
| 327 | P | 41.6 | Very low | 44 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | | -144.1 | 135.5 | 106.4 | 36.3 | -21.2 | 0 | 0 | 0 | 117.1 | | |
| 328 | S | 39 | Very low | 45.1 | Very low | 90 Ų | 90 | 140.1 Ų | 140.1 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | 28.9 | 134.7 | 141 | 68.9 | 0 | 0 | 0 | 0 | 124.6 | | |
| 329 | T | 38.8 | Very low | 46.3 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 80% | 0.796 | S | S | * | * | | | trans | 88 | 148.1 | 152.6 | 76.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 330 | Q | 47.5 | Very low | 47.4 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | 74.9 | 135.9 | 175.4 | -49 | 175.9 | 46.2 | 0 | 0 | 115 | | |
| 331 | S | 41.9 | Very low | 49 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | | | cis | -159.1 | 138.5 | -12 | 45 | 0 | 0 | 0 | 0 | 109.6 | N333 | S331-N333 PolarHBondContact O-N 3.39Š|
| 332 | L | 45.6 | Very low | 50 | Low | 164 Ų | 164 | 138.1 Ų | 138.1 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -80 | 111.9 | 178 | -81.7 | 161.6 | 0 | 0 | 0 | 110.6 | I334 | L332-I334 PolarHBondContact O-N 3.41Š|
| 333 | N | 50.1 | Low | 50.5 | Low | 153 Ų | 153 | 143.8 Ų | 143.8 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -85.4 | 88 | 175.8 | -173.7 | 1.9 | 0 | 0 | 0 | 110.8 | S331 K335 | S331-N333 PolarHBondContact O-N 3.39Å; N333-K335 PolarHBondContact O-N 3.28Å |
| 334 | I | 48.4 | Very low | 51.1 | Low | 145 Ų | 145 | 143.2 Ų | 143.2 | 74% | 0.744 | 80% | 0.797 | S | S | * | * | | | trans | -85.7 | 99.8 | 174.2 | -60.4 | 165.8 | 0 | 0 | 0 | 108.2 | L332 S336 | L332-I334 PolarHBondContact O-N 3.41Å; I334-S336 PolarHBondContact O-N 3.47Å |
| 335 | K | 60.1 | Low | 51.3 | Low | 198 Ų | 198 | 146 Ų | 146 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | | | trans | -71.7 | 105.5 | 176.9 | -177.4 | 175 | 175.5 | -179.1 | 0 | 110 | N333 | N333-K335 PolarHBondContact O-N 3.28Š|
| 336 | S | 55.9 | Low | 51.8 | Low | 109 Ų | 109 | 147.7 Ų | 147.7 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 138.7 | 173.2 | 39.5 | 0 | 0 | 0 | 0 | 111.8 | I334 | I334-S336 PolarHBondContact O-N 3.47Š|
| 337 | E | 65.6 | Low | 52 | Low | 183 Ų | 183 | 145.5 Ų | 145.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 140.4 | 178.4 | -166.3 | 178.3 | 160.7 | 0 | 0 | 110.9 | | |
| 338 | P | 64.2 | Low | 51.9 | Low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 138.8 | -178.5 | 28.9 | -34.9 | 0 | 0 | 0 | 112.6 | | |
| 339 | V | 63.5 | Low | 52.1 | Low | 141 Ų | 141 | 147.2 Ų | 147.2 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67 | 137.1 | 179.8 | 77.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 340 | S | 59.9 | Low | 52 | Low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 138.5 | 177.6 | -71.1 | 0 | 0 | 0 | 0 | 112 | | |
| 341 | P | 71 | Confident | 51.7 | Low | 118 Ų | 118 | 149.9 Ų | 149.9 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 146.3 | 178.6 | -22 | 33.4 | 0 | 0 | 0 | 113.6 | | |
| 342 | P | 57.4 | Low | 51.4 | Low | 120 Ų | 120 | 154.7 Ų | 154.7 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 146.7 | 179.3 | 30.4 | -34.7 | 0 | 0 | 0 | 112.1 | | |
| 343 | R | 53.1 | Low | 51.2 | Low | 248 Ų | 248 | 152 Ų | 152 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | | | trans | -94 | 107.2 | 176.9 | -132.4 | -179.3 | -176.6 | 157.5 | 0.8 | 109.5 | R345 | R343-R345 PolarHBondContact O-N 3.41Š|
| 344 | D | 50 | Low | 50.6 | Low | 156 Ų | 156 | 152.1 Ų | 152.1 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -62.3 | 134.5 | 175.7 | -84.6 | -52 | 0 | 0 | 0 | 112.5 | | |
| 345 | R | 45.2 | Very low | 50.3 | Low | 236 Ų | 236 | 152.4 Ų | 152.4 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | | | trans | -119.1 | 96.1 | 170.8 | -100.9 | -172.5 | 166.1 | -164.3 | -1.8 | 108.8 | R343 | R343-R345 PolarHBondContact O-N 3.41Š|
| 346 | T | 50.2 | Low | 49.5 | Very low | 141 Ų | 141 | 149.2 Ų | 149.2 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -81.8 | 131.3 | 166.1 | -56.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 347 | T | 42.4 | Very low | 48.4 | Very low | 115 Ų | 115 | 154.1 Ų | 154.1 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | | | trans | -98.4 | 145.2 | -172.3 | -68 | 0 | 0 | 0 | 0 | 111.5 | | |
| 348 | T | 40.6 | Very low | 47.2 | Very low | 120 Ų | 120 | 153 Ų | 153 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -25.3 | 157.2 | 160.4 | 30.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 349 | P | 41.9 | Very low | 46.1 | Very low | 121 Ų | 121 | 156.7 Ų | 156.7 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | | | | -157.1 | 153.4 | 58.8 | 41.6 | -19.4 | 0 | 0 | 0 | 122.5 | | |
| 350 | S | 38.1 | Very low | 45.1 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 38.4 | 108.5 | 135.1 | -179.2 | 0 | 0 | 0 | 0 | 122 | | |
| 351 | R | 40 | Very low | 44.5 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | | | | -158.4 | 133.1 | 129.3 | -135.6 | 178.1 | -176.4 | 178.5 | 0.9 | 113.2 | | |
| 352 | Y | 36.4 | Very low | 43.6 | Very low | 212 Ų | 212 | 159.6 Ų | 159.6 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -81.6 | 174 | 161.9 | -71.7 | -83.9 | 0 | 0 | 0 | 109.6 | | |
| 353 | P | 42.1 | Very low | 43.2 | Very low | 108 Ų | 108 | 159.1 Ų | 159.1 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | | | cis | -143.8 | 174.9 | 15.7 | 43.9 | -24.6 | 0 | 0 | 0 | 118.7 | | |
| 354 | Q | 36 | Very low | 43 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | | | trans | 49.2 | 113.5 | 142.9 | -63.6 | -96.3 | 10.7 | 0 | 0 | 121.2 | | |
| 355 | H | 42.4 | Very low | 43 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 70% | 0.704 | 79% | 0.794 | S | S | * | * | | | | 161.1 | 143.3 | 108.4 | -91.5 | -72.6 | 0 | 0 | 0 | 113.3 | | |
| 356 | T | 42.7 | Very low | 42.9 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | | | trans | 48.8 | 145.7 | 152.5 | 53.8 | 0 | 0 | 0 | 0 | 121 | | |
| 357 | R | 33.5 | Very low | 42.6 | Very low | 213 Ų | 213 | 146 Ų | 146 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | cis | 175.1 | 133.8 | -21.6 | -147.8 | -157.6 | 169.6 | 176.8 | -4.8 | 103.9 | | |
| 358 | H | 40.6 | Very low | 42.5 | Very low | 159 Ų | 159 | 148.8 Ų | 148.8 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | 29.6 | 120.4 | 164.5 | -60.8 | -76.8 | 0 | 0 | 0 | 122.5 | | |
| 359 | E | 41.1 | Very low | 42.8 | Very low | 189 Ų | 189 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | | -164.1 | 120.6 | 109.2 | -100.2 | -166.2 | 118.5 | 0 | 0 | 107.7 | | |
| 360 | A | 43.5 | Very low | 42.6 | Very low | 98 Ų | 98 | 148.5 Ų | 148.5 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | | | | 71 | 93.4 | 82 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 361 | G | 45.8 | Very low | 42.9 | Very low | 71 Ų | 71 | 149.8 Ų | 149.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | | | trans | -176.9 | 94.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 362 | R | 52.1 | Low | 42.9 | Very low | 255 Ų | 255 | 143.5 Ų | 143.5 | 96% | 0.962 | 80% | 0.801 | S | S | * | * | | | trans | 78.7 | 128 | 154.5 | -55.3 | 172.9 | -173.5 | -92.4 | -3.9 | 118.3 | | |
| 363 | S | 49.4 | Very low | 42.9 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | | | trans | -110.2 | -156.6 | -178.9 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | | |
| 364 | P | 49.5 | Very low | 43 | Very low | 110 Ų | 110 | 139.3 Ų | 139.3 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | | | | -123.3 | 174.2 | -55.5 | 28.5 | -10.7 | 0 | 0 | 0 | 111.7 | | |
| 365 | V | 49.9 | Very low | 43.4 | Very low | 138 Ų | 138 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -175 | 144.2 | 131.6 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 366 | D | 43.2 | Very low | 43.5 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | | | trans | -70.5 | 151.3 | -173.7 | -51.4 | -97.8 | 0 | 0 | 0 | 115.4 | | |
| 367 | S | 43.7 | Very low | 43.8 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -171.2 | 84.8 | 142.9 | -84.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 368 | L | 41 | Very low | 44.4 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | | | trans | -84 | 107.4 | 163.2 | -69.7 | 173.5 | 0 | 0 | 0 | 108.9 | | |
| 369 | S | 45.1 | Very low | 45.1 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | -103.5 | 86.5 | 168.6 | -71.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 370 | S | 39.4 | Very low | 45.3 | Very low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -80.6 | 123.7 | 168.6 | 52 | 0 | 0 | 0 | 0 | 110.8 | | |
| 371 | C | 42.6 | Very low | 45.8 | Very low | 135 Ų | 135 | 138.4 Ų | 138.4 | 91% | 0.912 | 80% | 0.804 | S | S | * | * | | | trans | -107.8 | 114.8 | 159 | -80.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 372 | S | 40.1 | Very low | 45.9 | Very low | 113 Ų | 113 | 142.3 Ų | 142.3 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -79 | 155.9 | 179.8 | -172.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 373 | S | 36.4 | Very low | 46 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -69.4 | 154.3 | 160.6 | 51.2 | 0 | 0 | 0 | 0 | 112 | | |
| 374 | S | 44.1 | Very low | 45.7 | Very low | 128 Ų | 128 | 144 Ų | 144 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -164 | 161.8 | 136.9 | 14.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 375 | Y | 44.6 | Very low | 45.7 | Very low | 210 Ų | 210 | 146 Ų | 146 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | -112.5 | 136.9 | -163.2 | 169.8 | -85.3 | 0 | 0 | 0 | 109.7 | | |
| 376 | D | 45.9 | Very low | 45.2 | Very low | 158 Ų | 158 | 145.8 Ų | 145.8 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | -150.1 | 152.4 | 153.7 | -166.7 | 35.6 | 0 | 0 | 0 | 109.7 | | |
| 377 | G | 48.3 | Very low | 45.3 | Very low | 55 Ų | 55 | 147 Ų | 147 | 57% | 0.567 | 80% | 0.798 | S | S | * | * | | | trans | 143.7 | 56.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 378 | S | 46.7 | Very low | 45.2 | Very low | 109 Ų | 109 | 148.6 Ų | 148.6 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | | | trans | -78.7 | 127.2 | 170.5 | 177.5 | 0 | 0 | 0 | 0 | 110 | | |
| 379 | D | 54.9 | Low | 45.1 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | | | trans | -139.9 | 111.9 | 166.6 | -145.3 | -36.9 | 0 | 0 | 0 | 110.5 | | |
| 380 | R | 46 | Very low | 45.3 | Very low | 236 Ų | 236 | 144.6 Ų | 144.6 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -158.4 | 94.9 | 179.3 | -117.4 | -170.2 | 177.8 | 163.2 | -0.4 | 107.5 | | |
| 381 | E | 53.4 | Low | 45.7 | Very low | 166 Ų | 166 | 147.5 Ų | 147.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | -111.7 | 120.8 | 168.6 | -71.4 | -167.4 | 98.2 | 0 | 0 | 110.4 | | |
| 382 | D | 48 | Very low | 45.7 | Very low | 152 Ų | 152 | 143.8 Ų | 143.8 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -68.3 | 144 | 170.1 | -78.8 | -86.9 | 0 | 0 | 0 | 111.3 | | |
| 383 | H | 54.6 | Low | 46.1 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -130.3 | 125.8 | 157.5 | -85.7 | 72.3 | 0 | 0 | 0 | 110.6 | | |
| 384 | R | 42.7 | Very low | 46.7 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | | | trans | -78.4 | 154.5 | -175.4 | -73.3 | 166.3 | 152.7 | 175.1 | -10.9 | 113.2 | | |
| 385 | N | 48.3 | Very low | 46.8 | Very low | 153 Ų | 153 | 154.1 Ų | 154.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 178.6 | 95.5 | 137.4 | -89.5 | -9.1 | 0 | 0 | 0 | 105.4 | | |
| 386 | E | 40 | Very low | 46.8 | Very low | 133 Ų | 133 | 149.1 Ų | 149.1 | 62% | 0.621 | 78% | 0.775 | S | S | * | * | | | | 66.4 | 104 | 67.9 | -152.3 | 173.8 | 173.1 | 0 | 0 | 112.7 | | |
| 387 | F | 45.7 | Very low | 46.5 | Very low | 165 Ų | 165 | 147.3 Ų | 147.3 | 72% | 0.724 | 77% | 0.774 | S | S | * | * | | | | 170.5 | 115.3 | 119 | -101.1 | -87.1 | 0 | 0 | 0 | 112.7 | | |
| 388 | H | 42 | Very low | 46.6 | Very low | 149 Ų | 149 | 149.7 Ų | 149.7 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | | | trans | 39.8 | 115.4 | 146.9 | -69.3 | -102.7 | 0 | 0 | 0 | 122.1 | | |
| 389 | S | 39.4 | Very low | 46.3 | Very low | 102 Ų | 102 | 152 Ų | 152 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | | | | 98.1 | 163.9 | 73.6 | -62.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 390 | P | 48.9 | Very low | 45.8 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | | -128.9 | -158.3 | -106.5 | 32.2 | -6.8 | 0 | 0 | 0 | 114.5 | | |
| 391 | I | 47.6 | Very low | 45.7 | Very low | 172 Ų | 172 | 151 Ų | 151 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | 85.2 | 138.5 | -179.3 | -51.9 | 156.4 | 0 | 0 | 0 | 112.4 | | |
| 392 | G | 42.9 | Very low | 45.2 | Very low | 57 Ų | 57 | 150.7 Ų | 150.7 | 59% | 0.588 | 78% | 0.775 | S | S | * | * | | | cis | 159.8 | 138 | -6.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 393 | L | 48.2 | Very low | 44.9 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 88% | 0.88 | 77% | 0.772 | S | S | * | * | | | trans | 56.7 | 108.4 | 170.2 | -64.8 | 126.3 | 0 | 0 | 0 | 119.1 | | |
| 394 | T | 49.5 | Very low | 44.6 | Very low | 155 Ų | 155 | 145.8 Ų | 145.8 | 95% | 0.951 | 77% | 0.77 | S | S | * | * | | | | -178.3 | 166.5 | 112.1 | 28.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 395 | R | 45.1 | Very low | 44.7 | Very low | 240 Ų | 240 | 140.5 Ų | 140.5 | 91% | 0.906 | 77% | 0.767 | S | S | * | * | | | trans | -98.7 | 174.5 | -167.5 | -105.1 | -170.8 | 85.1 | -174.1 | 6.1 | 113.6 | | |
| 396 | P | 43.9 | Very low | 44.6 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | | | trans | -112.7 | 174.1 | -152.8 | 42.9 | -36.6 | 0 | 0 | 0 | 115.5 | | |
| 397 | S | 40.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -175.2 | 166.7 | 142.7 | -111.9 | 0 | 0 | 0 | 0 | 111.2 | | |
| 398 | P | 49 | Very low | 45.4 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | | | trans | -116.4 | 168.5 | -144.2 | 40.4 | -31.6 | 0 | 0 | 0 | 117.4 | | |
| 399 | D | 41.5 | Very low | 45.8 | Very low | 159 Ų | 159 | 145.9 Ų | 145.9 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | | | trans | 19.8 | 105 | 157.2 | -63.6 | -80.9 | 0 | 0 | 0 | 120.7 | | |
| 400 | E | 45.1 | Very low | 46.3 | Very low | 160 Ų | 160 | 150 Ų | 150 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | | | trans | -139.8 | 132.2 | 144.3 | -94.3 | -153.8 | 92.8 | 0 | 0 | 111.9 | | |
| 401 | R | 43.5 | Very low | 46.8 | Very low | 195 Ų | 195 | 151.8 Ų | 151.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | 72.7 | 139.9 | 144.7 | -67.8 | 174.7 | 175.2 | -113.7 | 3.2 | 123.9 | | |
| 402 | E | 42.4 | Very low | 46.7 | Very low | 160 Ų | 160 | 148.7 Ų | 148.7 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | | | trans | 100.9 | 117.8 | 136.7 | -126.9 | 119.4 | 138.2 | 0 | 0 | 120.3 | | |
| 403 | S | 41.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 155 Ų | 155 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -80.9 | 168.9 | 164.9 | -43.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 404 | P | 49.3 | Very low | 47.2 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | | -154.8 | 151 | 79.8 | 37.8 | -17 | 0 | 0 | 0 | 118.5 | | |
| 405 | S | 44.5 | Very low | 47.6 | Very low | 109 Ų | 109 | 154.3 Ų | 154.3 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | 17.4 | 152.6 | 133.4 | -157.1 | 0 | 0 | 0 | 0 | 123.6 | | |
| 406 | V | 46.3 | Very low | 48 | Very low | 124 Ų | 124 | 147.4 Ų | 147.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | 122.3 | 138.8 | 143.9 | -178.6 | 0 | 0 | 0 | 0 | 116.3 | | |
| 407 | K | 50 | Low | 48.4 | Very low | 198 Ų | 198 | 152.4 Ų | 152.4 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | 75.7 | 88.3 | 170.3 | -87.2 | 169.6 | 179.1 | 174.5 | 0 | 118.5 | | |
| 408 | R | 53.1 | Low | 48.8 | Very low | 249 Ų | 249 | 154.1 Ų | 154.1 | 94% | 0.94 | 81% | 0.806 | S | S | * | * | | | trans | -121.5 | 131 | 130.7 | -165.1 | 177.2 | -66.7 | 143.1 | -0.4 | 108.2 | | |
| 409 | M | 49 | Very low | 48.8 | Very low | 143 Ų | 143 | 156.6 Ų | 156.6 | 70% | 0.704 | 81% | 0.813 | S | S | * | * | | | trans | -121.4 | 154.7 | -177.1 | 179.6 | 176.3 | 58.5 | 0 | 0 | 109.4 | | |
| 410 | R | 51.4 | Low | 49.2 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 71% | 0.709 | 81% | 0.811 | S | S | * | * | | | trans | 104.7 | 95.6 | 148.6 | -131.9 | 167.4 | -169 | 96.1 | 1 | 118.1 | | |
| 411 | L | 58 | Low | 49.5 | Very low | 151 Ų | 151 | 156.3 Ų | 156.3 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | trans | 67.7 | 130.5 | 130.7 | -60.5 | 176.5 | 0 | 0 | 0 | 120.9 | | |
| 412 | S | 45.7 | Very low | 49.8 | Very low | 106 Ų | 106 | 153.9 Ų | 153.9 | 74% | 0.741 | 82% | 0.819 | S | S | * | * | | | trans | -105.6 | 128.6 | 167.1 | 50.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 413 | E | 52.3 | Low | 50.3 | Low | 189 Ų | 189 | 153.5 Ų | 153.5 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -170 | 139 | 154.5 | -106.2 | 160.8 | 169.5 | 0 | 0 | 105.2 | | |
| 414 | G | 49.2 | Very low | 51 | Low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 83% | 0.829 | S | S | * | * | | | cis | 121.4 | 66.8 | 14.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 415 | W | 57.4 | Low | 51.1 | Low | 245 Ų | 245 | 159.3 Ų | 159.3 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | | | trans | -129.9 | 121.2 | 173.2 | -78 | 97.9 | 0 | 0 | 0 | 110.5 | | |
| 416 | A | 54.8 | Low | 51.7 | Low | 94 Ų | 94 | 163.5 Ų | 163.5 | 78% | 0.777 | 84% | 0.837 | S | S | * | * | | | trans | -121.9 | 132 | 167.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 417 | T | 53 | Low | 52.2 | Low | 210 Ų | 210 | 167.1 Ų | 167.1 | 100% | 1.288 | 85% | 0.845 | S | S | * | * | | | trans | -150.7 | 0 | 162.7 | 49.8 | 0 | 0 | 0 | 0 | 106.7 | | |