| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.2 | Low | 64.2 | Low | 247 Ų | 247 | 136.5 Ų | 136.5 | 100% | 1.217 | 73% | 0.726 | S | S | * | * | 0 | 93.7 | 0 | -67.8 | 159.6 | 70.5 | 0 | 0 | 108.9 | |||||
| 2 | S | 64.1 | Low | 65.3 | Low | 135 Ų | 135 | 129.5 Ų | 129.5 | 94% | 0.944 | 70% | 0.696 | S | S | * | * | trans | -156.2 | 105.7 | 171.8 | -164.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | G | 63.2 | Low | 66.9 | Low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 69% | 0.691 | S | S | * | * | trans | -167.6 | 8.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 4 | R | 63.2 | Low | 68.3 | Low | 236 Ų | 236 | 127.1 Ų | 127.1 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -87.7 | -16 | -175.7 | -70.1 | -175.4 | 165.8 | -162 | -3.3 | 113.8 | ||
| 5 | S | 62 | Low | 69.7 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -76.9 | -40.1 | -172.7 | 177.1 | 0 | 0 | 0 | 0 | 113.8 | R7 A8 | S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.15Å; S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 VanDerWaalsContact O-N 3.1Å |
| 6 | V | 62.7 | Low | 71.2 | Confident | 114 Ų | 114 | 124.8 Ų | 124.8 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -63.3 | -28.3 | -175.7 | -171 | 0 | 0 | 0 | 0 | 112.9 | T10 | V6-T10 PolarHBondContact O-OG1 3.33Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å |
| 7 | R | 61.3 | Low | 72.4 | Confident | 172 Ų | 172 | 122.3 Ų | 122.3 | 65% | 0.649 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77.1 | -22.9 | -179.6 | -165.1 | 178.4 | -173.7 | -158.2 | 1.5 | 113.4 | S5 T10 | S5-R7 PolarHBondContact O-N 3.34Å; S5-R7 VanDerWaalsContact O-N 3.15Å; R7-T10 PolarHBondContact O-OG1 3.39Å |
| 8 | A | 66.9 | Low | 73.7 | Confident | 68 Ų | 68 | 121 Ų | 121 | 56% | 0.562 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.6 | -40.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S5 R11 | S5-A8 PolarHBondContact O-N 2.81Å; S5-A8 VanDerWaalsContact O-N 3.1Å; A8-R11 PolarHBondContact O-N 3.43Å |
| 9 | E | 66.3 | Low | 74.8 | Confident | 121 Ų | 121 | 121.9 Ų | 121.9 | 57% | 0.565 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70 | -34.2 | -177.3 | -168.1 | 175.2 | 122.3 | 0 | 0 | 113.3 | R11 S12 R13 | E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.98Å; E9-S12 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 2.77Å; E9-R13 IonicContact OE1-NH1 3.49Å; E9-R13 PolarHBondContact OE1-NH1 2.8Å |
| 10 | T | 67.2 | Low | 75.9 | Confident | 91 Ų | 91 | 124.2 Ų | 124.2 | 56% | 0.558 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.7 | -22.5 | 179.5 | 40.3 | 0 | 0 | 0 | 0 | 113.4 | V6 R7 | V6-T10 PolarHBondContact O-OG1 3.33Å; V6-T10 VanDerWaalsContact O-OG1 3.11Å; R7-T10 PolarHBondContact O-OG1 3.39Å |
| 11 | R | 70.8 | Confident | 76.9 | Confident | 160 Ų | 160 | 121.9 Ų | 121.9 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.3 | -23.8 | -179.6 | -71.8 | -178.7 | 175.3 | -113 | -7.3 | 113.9 | A8 E9 | A8-R11 PolarHBondContact O-N 3.43Å; E9-R11 VanDerWaalsContact C-N 3.26Å; E9-R11 PolarHBondContact O-N 2.98Å |
| 12 | S | 77.9 | Confident | 78.7 | Confident | 53 Ų | 53 | 115.3 Ų | 115.3 | 37% | 0.371 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -75.5 | -45.3 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | E9 A14 K15 D16 | E9-S12 PolarHBondContact O-N 2.82Å; E9-S12 PolarHBondContact O-OG 2.77Å; S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.36Å; S12-K15 PolarHBondContact O-N 2.67Å; S12-D16 PolarHBondContact O-N 2.74Å; S12-D16 VanDerWaalsContact O-OD2 3.14Å |
| 13 | R | 85.4 | Confident | 80.1 | Confident | 167 Ų | 167 | 111 Ų | 111 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -49.9 | -49.4 | 179.3 | -120.2 | 85.5 | 175.7 | -152.4 | 2.2 | 112.8 | E9 K15 D16 D17 | E9-R13 IonicContact OE1-NH1 3.49Å; E9-R13 PolarHBondContact OE1-NH1 2.8Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.67Å; R13-D16 PolarHBondContact O-N 2.9Å; R13-D17 WeakPolarHBondContact O-CB 3.03Å; R13-D17 PolarHBondContact O-N 3.43Å |
| 14 | A | 87.1 | Confident | 81.6 | Confident | 58 Ų | 58 | 110.4 Ų | 110.4 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.4 | -39.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S12 I18 | S12-A14 VanDerWaalsContact C-N 3.31Å; S12-A14 PolarHBondContact O-N 3.36Å; A14-I18 VanDerWaalsContact O-CD1 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 2.91Å |
| 15 | K | 88.8 | Confident | 83.1 | Confident | 143 Ų | 143 | 101.5 Ų | 101.5 | 62% | 0.622 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.2 | -37.4 | 177.3 | -73.1 | -177 | 170.3 | -173.1 | 0 | 112.8 | S12 R13 D17 K19 | S12-K15 PolarHBondContact O-N 2.67Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.67Å; K15-D17 VanDerWaalsContact C-N 3.35Å; K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.44Å; K15-K19 VanDerWaalsContact O-N 3.15Å |
| 16 | D | 93.5 | Very high | 84.5 | Confident | 75 Ų | 75 | 100.8 Ų | 100.8 | 40% | 0.401 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.1 | -34.1 | 177.7 | -66.3 | -42 | 0 | 0 | 0 | 111.9 | S12 R13 K19 R20 | S12-D16 PolarHBondContact O-N 2.74Å; S12-D16 VanDerWaalsContact O-OD2 3.14Å; R13-D16 PolarHBondContact O-N 2.9Å; D16-K19 PolarHBondContact O-N 3.36Å; D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 PolarHBondContact O-N 3.44Å |
| 17 | D | 92.9 | Very high | 85.8 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -45.1 | 175.3 | -162.1 | 52.6 | 0 | 0 | 0 | 111.5 | R13 K15 K19 R20 V21 | R13-D17 WeakPolarHBondContact O-CB 3.03Å; R13-D17 PolarHBondContact O-N 3.43Å; K15-D17 VanDerWaalsContact C-N 3.35Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 2.94Å; D17-R20 WeakPolarHBondContact O-CB 3.42Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-NH1 2.77Å; D17-R20 PolarHBondContact OD1-NH1 2.77Å; D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.36Å |
| 18 | I | 94.3 | Very high | 87.3 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 173.8 | -67.4 | 156.9 | 0 | 0 | 0 | 110.9 | A14 R20 V21 M22 | A14-I18 VanDerWaalsContact O-CD1 3.23Å; A14-I18 WeakPolarHBondContact O-CD1 3.38Å; A14-I18 VanDerWaalsContact O-CG1 3.3Å; A14-I18 WeakPolarHBondContact O-CG1 3.49Å; A14-I18 PolarHBondContact O-N 2.91Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.77Å; I18-V21 PolarHBondContact O-N 3.14Å; I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 2.92Å |
| 19 | K | 95.6 | Very high | 88.6 | Confident | 139 Ų | 139 | 103.9 Ų | 103.9 | 60% | 0.604 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 176.5 | -71.4 | 174.8 | -174.7 | 170.6 | 0 | 112.2 | K15 D16 D17 M22 A23 | K15-K19 WeakPolarHBondContact O-CG 3.36Å; K15-K19 PolarHBondContact O-N 3.44Å; K15-K19 VanDerWaalsContact O-N 3.15Å; D16-K19 PolarHBondContact O-N 3.36Å; D17-K19 VanDerWaalsContact C-N 3.33Å; D17-K19 PolarHBondContact O-N 2.94Å; K19-M22 PolarHBondContact O-N 3.39Å; K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.29Å; K19-A23 PolarHBondContact O-N 3.02Å |
| 20 | R | 96.4 | Very high | 89.8 | Confident | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 178.2 | -171.3 | -173.4 | -62.9 | 134.5 | -3.2 | 111.2 | D16 D17 I18 A23 A24 | D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 PolarHBondContact O-N 3.44Å; D17-R20 WeakPolarHBondContact O-CB 3.42Å; D17-R20 PolarHBondContact O-N 2.95Å; D17-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-NH1 2.77Å; D17-R20 PolarHBondContact OD1-NH1 2.77Å; I18-R20 VanDerWaalsContact C-N 3.34Å; I18-R20 PolarHBondContact O-N 2.77Å; R20-A23 PolarHBondContact O-N 2.9Å; R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.78Å |
| 21 | V | 96.5 | Very high | 91.1 | Very high | 76 Ų | 76 | 102.6 Ų | 102.6 | 46% | 0.461 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.8 | -50.9 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 110 | D17 I18 A23 A24 V25 | D17-V21 WeakPolarHBondContact O-CG2 3.46Å; D17-V21 PolarHBondContact O-N 3.36Å; I18-V21 PolarHBondContact O-N 3.14Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.05Å; V21-A24 PolarHBondContact O-N 3.29Å; V21-A24 VanDerWaalsContact O-N 3.11Å; V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.19Å; V21-V25 PolarHBondContact O-N 3.47Å |
| 22 | M | 96.2 | Very high | 92.3 | Very high | 108 Ų | 108 | 98.3 Ų | 98.3 | 53% | 0.532 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.1 | -48.4 | 177.1 | -67.8 | -63.8 | 176.2 | 0 | 0 | 111.3 | I18 K19 A24 V25 D26 | I18-M22 VanDerWaalsContact O-CG 3.27Å; I18-M22 WeakPolarHBondContact O-CG 3.3Å; I18-M22 PolarHBondContact O-N 2.92Å; K19-M22 PolarHBondContact O-N 3.39Å; M22-A24 VanDerWaalsContact C-N 3.33Å; M22-A24 PolarHBondContact O-N 3.17Å; M22-V25 PolarHBondContact O-N 3.3Å; M22-D26 WeakPolarHBondContact O-CB 3.44Å; M22-D26 VanDerWaalsContact O-CG 3.23Å; M22-D26 PolarHBondContact O-N 3.08Å |
| 23 | A | 94.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 101.2 Ų | 101.2 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.9 | -35.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K19 R20 V21 K27 | K19-A23 VanDerWaalsContact O-CB 3.31Å; K19-A23 WeakPolarHBondContact O-CB 3.29Å; K19-A23 PolarHBondContact O-N 3.02Å; R20-A23 PolarHBondContact O-N 2.9Å; V21-A23 VanDerWaalsContact C-N 3.33Å; V21-A23 PolarHBondContact O-N 3.05Å; A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.37Å; A23-K27 PolarHBondContact O-N 3.34Å |
| 24 | A | 93.6 | Very high | 93.6 | Very high | 49 Ų | 49 | 97.9 Ų | 97.9 | 41% | 0.405 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | R20 V21 M22 K27 V28 | R20-A24 VanDerWaalsContact O-CB 3.29Å; R20-A24 WeakPolarHBondContact O-CB 3.49Å; R20-A24 PolarHBondContact O-N 2.78Å; V21-A24 PolarHBondContact O-N 3.29Å; V21-A24 VanDerWaalsContact O-N 3.11Å; M22-A24 VanDerWaalsContact C-N 3.33Å; M22-A24 PolarHBondContact O-N 3.17Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.46Å; A24-V28 PolarHBondContact O-N 3.27Å |
| 25 | V | 94.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 100.7 Ų | 100.7 | 30% | 0.303 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 175.8 | -179 | 0 | 0 | 0 | 0 | 110.3 | V21 M22 K27 V28 R29 | V21-V25 HydrophobicContact CG1-CG2 4.24Å; V21-V25 VanDerWaalsContact O-CG2 3.25Å; V21-V25 WeakPolarHBondContact O-CG2 3.19Å; V21-V25 PolarHBondContact O-N 3.47Å; M22-V25 PolarHBondContact O-N 3.3Å; V25-K27 VanDerWaalsContact C-N 3.26Å; V25-K27 PolarHBondContact O-N 2.88Å; V25-V28 PolarHBondContact O-N 3.36Å; V25-V28 VanDerWaalsContact O-N 3.08Å; V25-R29 HydrophobicContact CG1-CG 4.16Å; V25-R29 WeakPolarHBondContact O-CB 3.42Å; V25-R29 WeakPolarHBondContact O-CG 3.09Å; V25-R29 PolarHBondContact O-N 3.46Å |
| 26 | D | 92.3 | Very high | 94.4 | Very high | 79 Ų | 79 | 96.4 Ų | 96.4 | 42% | 0.422 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.7 | -35 | 176.4 | -68.1 | -21.4 | 0 | 0 | 0 | 111.7 | M22 V28 R29 N30 | M22-D26 WeakPolarHBondContact O-CB 3.44Å; M22-D26 VanDerWaalsContact O-CG 3.23Å; M22-D26 PolarHBondContact O-N 3.08Å; D26-V28 PolarHBondContact O-N 2.83Å; D26-R29 IonicContact OD1-NH1 3.28Å; D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.36Å |
| 27 | K | 89.7 | Confident | 94.6 | Very high | 153 Ų | 153 | 96.5 Ų | 96.5 | 67% | 0.665 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 172.5 | -75.9 | 170.3 | -176.1 | -177.6 | 0 | 112.8 | A23 A24 V25 W31 | A23-K27 VanDerWaalsContact O-CG 3.26Å; A23-K27 WeakPolarHBondContact O-CG 3.37Å; A23-K27 PolarHBondContact O-N 3.34Å; A24-K27 WeakPolarHBondContact O-CB 3.41Å; A24-K27 PolarHBondContact O-N 3.46Å; V25-K27 VanDerWaalsContact C-N 3.26Å; V25-K27 PolarHBondContact O-N 2.88Å; K27-W31 PolarHBondContact O-NE1 3.11Å; K27-W31 VanDerWaalsContact O-NE1 3.14Å |
| 28 | V | 93.3 | Very high | 94.7 | Very high | 92 Ų | 92 | 95.6 Ų | 95.6 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78.6 | -34.5 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 111.7 | A24 V25 D26 N30 W31 | A24-V28 PolarHBondContact O-N 3.27Å; V25-V28 PolarHBondContact O-N 3.36Å; V25-V28 VanDerWaalsContact O-N 3.08Å; D26-V28 PolarHBondContact O-N 2.83Å; V28-N30 PolarHBondContact O-N 3.11Å; V28-W31 WeakPolarHBondContact O-CB 3.37Å; V28-W31 PolarHBondContact O-N 3.46Å |
| 29 | R | 93.8 | Very high | 94.7 | Very high | 175 Ų | 175 | 94.3 Ų | 94.3 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.5 | -26.9 | 176.3 | -78.5 | -179.2 | 169.9 | 130.7 | 4.6 | 113.2 | V25 D26 W31 | V25-R29 HydrophobicContact CG1-CG 4.16Å; V25-R29 WeakPolarHBondContact O-CB 3.42Å; V25-R29 WeakPolarHBondContact O-CG 3.09Å; V25-R29 PolarHBondContact O-N 3.46Å; D26-R29 IonicContact OD1-NH1 3.28Å; R29-W31 VanDerWaalsContact C-N 3.3Å; R29-W31 PolarHBondContact O-N 2.91Å |
| 30 | N | 91.4 | Very high | 94.6 | Very high | 72 Ų | 72 | 95.6 Ų | 95.6 | 39% | 0.385 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 31.7 | 176.8 | -65.6 | -50.3 | 0 | 0 | 0 | 112.2 | D26 V28 V51 | D26-N30 PolarHBondContact O-N 3.42Å; D26-N30 PolarHBondContact O-ND2 3.36Å; V28-N30 PolarHBondContact O-N 3.11Å; N30-V51 HydrophobicContact CB-CB 4.42Å; N30-V51 WeakPolarHBondContact O-CB 3.41Å; N30-V51 WeakPolarHBondContact O-CG2 3.17Å; N30-V51 PolarHBondContact O-N 2.97Å |
| 31 | W | 95.1 | Very high | 94.5 | Very high | 113 Ų | 113 | 91 Ų | 91 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.9 | 171.3 | -76.8 | 24.1 | 0 | 0 | 0 | 109.6 | K27 V28 R29 W48 V49 P50 | K27-W31 PolarHBondContact O-NE1 3.11Å; K27-W31 VanDerWaalsContact O-NE1 3.14Å; V28-W31 WeakPolarHBondContact O-CB 3.37Å; V28-W31 PolarHBondContact O-N 3.46Å; R29-W31 VanDerWaalsContact C-N 3.3Å; R29-W31 PolarHBondContact O-N 2.91Å; W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.11Å; W31-W48 HydrophobicContact CD2-CB 4.36Å; W31-W48 HydrophobicContact CE3-CB 3.46Å; W31-W48 VanDerWaalsContact CE3-CB 3.46Å; W31-W48 HydrophobicContact CE3-CG 4.42Å; W31-W48 HydrophobicContact CZ3-CB 4.11Å; W31-W48 WeakPolarHBondContact O-CZ3 3.25Å; W31-V49 WeakPolarHBondContact CA-O 3.48Å; W31-P50 HydrophobicContact CZ2-CG 4.45Å |
| 32 | E | 95.2 | Very high | 94.4 | Very high | 70 Ų | 70 | 93.3 Ų | 93.3 | 33% | 0.327 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 142 | 176.3 | 64.4 | 174.6 | -171.8 | 0 | 0 | 110.8 | K34 W48 V49 V51 | E32-K34 VanDerWaalsContact CD-CE 3.4Å; E32-K34 HydrophobicContact CG-CG 3.79Å; E32-K34 PolarHBondContact O-N 2.85Å; E32-K34 WeakPolarHBondContact OE1-CE 3.43Å; E32-K34 WeakPolarHBondContact OE1-CG 3.26Å; E32-K34 IonicContact OE1-NZ 2.74Å; E32-K34 PolarHBondContact OE1-NZ 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.42Å; E32-K34 IonicContact OE2-NZ 2.67Å; E32-K34 PolarHBondContact OE2-NZ 3.37Å; E32-W48 WeakPolarHBondContact O-CA 3.29Å; E32-V49 HydrophobicContact CG-CG2 4.02Å; E32-V49 PolarHBondContact N-O 3.24Å; E32-V49 WeakPolarHBondContact O-CG2 3.37Å; E32-V49 PolarHBondContact O-N 3.49Å; E32-V51 HydrophobicContact CB-CG2 3.53Å; E32-V51 HydrophobicContact CG-CG2 3.41Å; E32-V51 VanDerWaalsContact CG-CG2 3.41Å |
| 33 | K | 96.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 93.3 Ų | 93.3 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 108.6 | 173.6 | -173.7 | 173.9 | 178.9 | 176.5 | 0 | 108.6 | Y46 W48 | K33-Y46 HydrophobicContact CD-CD1 4.1Å; K33-Y46 HydrophobicContact CD-CG 4.13Å; K33-Y46 VanDerWaalsContact CE-CD2 3.44Å; K33-Y46 HydrophobicContact CG-CD1 3.55Å; K33-Y46 HydrophobicContact CG-CE1 4.2Å; K33-Y46 HydrophobicContact CG-CG 3.91Å; K33-W48 HydrophobicContact CB-CD2 4.36Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.12Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.9Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å |
| 34 | K | 95.7 | Very high | 94.4 | Very high | 98 Ų | 98 | 97.7 Ų | 97.7 | 43% | 0.426 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 149.1 | 177.4 | -69.8 | -76.9 | 172 | 76.4 | 0 | 111.4 | E32 V36 Y46 K47 V49 | E32-K34 VanDerWaalsContact CD-CE 3.4Å; E32-K34 HydrophobicContact CG-CG 3.79Å; E32-K34 PolarHBondContact O-N 2.85Å; E32-K34 WeakPolarHBondContact OE1-CE 3.43Å; E32-K34 WeakPolarHBondContact OE1-CG 3.26Å; E32-K34 IonicContact OE1-NZ 2.74Å; E32-K34 PolarHBondContact OE1-NZ 3.36Å; E32-K34 WeakPolarHBondContact OE2-CE 3.42Å; E32-K34 IonicContact OE2-NZ 2.67Å; E32-K34 PolarHBondContact OE2-NZ 3.37Å; K34-V36 PolarHBondContact O-N 3.44Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; K34-K47 PolarHBondContact N-O 2.96Å; K34-K47 PolarHBondContact O-N 3.2Å; K34-V49 HydrophobicContact CB-CG2 3.64Å; K34-V49 HydrophobicContact CG-CG2 3.8Å |
| 35 | W | 96.3 | Very high | 94.6 | Very high | 116 Ų | 116 | 99.6 Ų | 99.6 | 44% | 0.439 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 113.1 | 171.7 | -75.1 | 115.8 | 0 | 0 | 0 | 110.2 | R44 I45 Y46 | W35-R44 HydrophobicContact CB-CB 4.3Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.95Å; W35-R44 WeakPolarHBondContact CZ3-O 3.48Å; W35-I45 VanDerWaalsContact CE3-C 3.43Å; W35-Y46 AromaticContact CD1-CE1 3.51Å; W35-Y46 AromaticContact CD1-CZ 3.91Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.13Å; W35-Y46 AromaticContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE2 4.05Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.77Å; W35-Y46 AromaticContact CE2-CD1 3.88Å; W35-Y46 AromaticContact CE2-CD2 3.9Å; W35-Y46 AromaticContact CE2-CE1 3.33Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.02Å; W35-Y46 VanDerWaalsContact CE2-OH 3.26Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CE1 4.33Å; W35-Y46 HydrophobicContact CE3-CE2 4.29Å; W35-Y46 AromaticContact CE3-CG 3.89Å; W35-Y46 HydrophobicContact CE3-CG 3.89Å; W35-Y46 AromaticContact CG-CD1 3.99Å; W35-Y46 HydrophobicContact CG-CD1 3.99Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.39Å; W35-Y46 HydrophobicContact CH2-CD2 3.39Å; W35-Y46 AromaticContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CG 4.15Å; W35-Y46 AromaticContact CH2-CZ 3.92Å; W35-Y46 HydrophobicContact CZ2-CD1 4.41Å; W35-Y46 AromaticContact CZ2-CD2 3.57Å; W35-Y46 HydrophobicContact CZ2-CD2 3.57Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CG 4.27Å; W35-Y46 AromaticContact CZ2-CZ 3.15Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.43Å; W35-Y46 AromaticContact CZ3-CD2 3.62Å; W35-Y46 HydrophobicContact CZ3-CD2 3.62Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.23Å; W35-Y46 AromaticContact NE1-CE2 3.95Å; W35-Y46 AromaticContact NE1-CZ 3.11Å; W35-Y46 PolarHBondContact NE1-OH 2.85Å |
| 36 | V | 95.7 | Very high | 94.7 | Very high | 54 Ų | 54 | 102.5 Ų | 102.5 | 33% | 0.327 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 134.9 | 176.8 | -178.3 | 0 | 0 | 0 | 0 | 109 | K34 R44 I45 K47 | K34-V36 PolarHBondContact O-N 3.44Å; V36-R44 CarbonylContact O-C 3.57Å; V36-R44 WeakPolarHBondContact O-CA 3.39Å; V36-I45 PolarHBondContact N-O 3.2Å; V36-I45 PolarHBondContact O-N 3.23Å; V36-K47 HydrophobicContact CG2-CB 4.09Å |
| 37 | T | 97.1 | Very high | 94.9 | Very high | 76 Ų | 76 | 104.8 Ų | 104.8 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 141.6 | 177.8 | -52.9 | 0 | 0 | 0 | 0 | 111 | T41 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.06Å; T37-L43 WeakPolarHBondContact CA-O 3.48Å; T37-L43 WeakPolarHBondContact CG2-O 3.09Å |
| 38 | V | 96.3 | Very high | 95.3 | Very high | 63 Ų | 63 | 104.7 Ų | 104.7 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | trans | -99.4 | 114.4 | -178.8 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | T41 L43 I45 | V38-T41 PolarHBondContact O-N 2.85Å; V38-T41 PolarHBondContact O-OG1 2.84Å; V38-L43 PolarHBondContact N-O 3.32Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.4Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; V38-I45 VanDerWaalsContact CG2-CG1 3.5Å | ||
| 39 | G | 93.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 102.2 Ų | 102.2 | 74% | 0.742 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -137.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 40 | D | 93.8 | Very high | 95.3 | Very high | 166 Ų | 166 | 97.6 Ų | 97.6 | 89% | 0.888 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.2 | 176.8 | 60.2 | -28.8 | 0 | 0 | 0 | 113.4 | ||
| 41 | T | 94.3 | Very high | 95.3 | Very high | 71 Ų | 71 | 96.6 Ų | 96.6 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -86.9 | 167.7 | -178.3 | 72.9 | 0 | 0 | 0 | 0 | 113.1 | T37 V38 L43 | T37-T41 WeakPolarHBondContact CG2-O 3.06Å; V38-T41 PolarHBondContact O-N 2.85Å; V38-T41 PolarHBondContact O-OG1 2.84Å; T41-L43 PolarHBondContact O-N 3.28Å; T41-L43 PolarHBondContact OG1-N 3.34Å |
| 42 | S | 93.4 | Very high | 94.6 | Very high | 124 Ų | 124 | 97.4 Ų | 97.4 | 87% | 0.867 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -79.2 | -1.9 | 171.5 | 60.3 | 0 | 0 | 0 | 0 | 114 | ||
| 43 | L | 96.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | trans | -74.6 | 137.9 | -177.7 | -169.3 | 67.4 | 0 | 0 | 0 | 111.1 | T37 V38 T41 | T37-L43 WeakPolarHBondContact CA-O 3.48Å; T37-L43 WeakPolarHBondContact CG2-O 3.09Å; V38-L43 PolarHBondContact N-O 3.32Å; T41-L43 PolarHBondContact O-N 3.28Å; T41-L43 PolarHBondContact OG1-N 3.34Å | ||
| 44 | R | 95.4 | Very high | 91.5 | Very high | 137 Ų | 137 | 99 Ų | 99 | 52% | 0.517 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.9 | 177.3 | -60.8 | 172.7 | 72 | -169.2 | 3.8 | 109.7 | W35 V36 | W35-R44 HydrophobicContact CB-CB 4.3Å; W35-R44 HydrophobicContact CD2-CB 4.48Å; W35-R44 HydrophobicContact CE3-CB 3.95Å; W35-R44 WeakPolarHBondContact CZ3-O 3.48Å; V36-R44 CarbonylContact O-C 3.57Å; V36-R44 WeakPolarHBondContact O-CA 3.39Å |
| 45 | I | 97.2 | Very high | 89.6 | Confident | 90 Ų | 90 | 100.7 Ų | 100.7 | 46% | 0.462 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 143.3 | 177.5 | -62.5 | -176.8 | 0 | 0 | 0 | 109.1 | W35 V36 V38 K47 | W35-I45 VanDerWaalsContact CE3-C 3.43Å; V36-I45 PolarHBondContact N-O 3.2Å; V36-I45 PolarHBondContact O-N 3.23Å; V38-I45 HydrophobicContact CG2-CB 4.02Å; V38-I45 HydrophobicContact CG2-CD1 3.4Å; V38-I45 HydrophobicContact CG2-CG1 3.5Å; V38-I45 VanDerWaalsContact CG2-CG1 3.5Å; I45-K47 PolarHBondContact O-N 3.41Å |
| 46 | Y | 97.3 | Very high | 87.5 | Confident | 110 Ų | 110 | 100 Ų | 100 | 43% | 0.431 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 122.1 | 170.5 | -78.4 | -62.8 | 0 | 0 | 0 | 110.9 | K33 K34 W35 | K33-Y46 HydrophobicContact CD-CD1 4.1Å; K33-Y46 HydrophobicContact CD-CG 4.13Å; K33-Y46 VanDerWaalsContact CE-CD2 3.44Å; K33-Y46 HydrophobicContact CG-CD1 3.55Å; K33-Y46 HydrophobicContact CG-CE1 4.2Å; K33-Y46 HydrophobicContact CG-CG 3.91Å; K34-Y46 WeakPolarHBondContact O-CA 3.31Å; W35-Y46 AromaticContact CD1-CE1 3.51Å; W35-Y46 AromaticContact CD1-CZ 3.91Å; W35-Y46 AromaticContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD1 3.7Å; W35-Y46 HydrophobicContact CD2-CD2 4.13Å; W35-Y46 AromaticContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE1 3.59Å; W35-Y46 HydrophobicContact CD2-CE2 4.05Å; W35-Y46 AromaticContact CD2-CG 3.99Å; W35-Y46 HydrophobicContact CD2-CG 3.99Å; W35-Y46 AromaticContact CD2-CZ 3.77Å; W35-Y46 AromaticContact CE2-CD1 3.88Å; W35-Y46 AromaticContact CE2-CD2 3.9Å; W35-Y46 AromaticContact CE2-CE1 3.33Å; W35-Y46 AromaticContact CE2-CE2 3.36Å; W35-Y46 AromaticContact CE2-CZ 3.02Å; W35-Y46 VanDerWaalsContact CE2-OH 3.26Å; W35-Y46 HydrophobicContact CE3-CD1 4.05Å; W35-Y46 AromaticContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CD2 3.99Å; W35-Y46 HydrophobicContact CE3-CE1 4.33Å; W35-Y46 HydrophobicContact CE3-CE2 4.29Å; W35-Y46 AromaticContact CE3-CG 3.89Å; W35-Y46 HydrophobicContact CE3-CG 3.89Å; W35-Y46 AromaticContact CG-CD1 3.99Å; W35-Y46 HydrophobicContact CG-CD1 3.99Å; W35-Y46 AromaticContact CG-CE1 3.76Å; W35-Y46 HydrophobicContact CG-CE1 3.76Å; W35-Y46 AromaticContact CH2-CD2 3.39Å; W35-Y46 HydrophobicContact CH2-CD2 3.39Å; W35-Y46 AromaticContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CE2 3.27Å; W35-Y46 HydrophobicContact CH2-CG 4.15Å; W35-Y46 AromaticContact CH2-CZ 3.92Å; W35-Y46 HydrophobicContact CZ2-CD1 4.41Å; W35-Y46 AromaticContact CZ2-CD2 3.57Å; W35-Y46 HydrophobicContact CZ2-CD2 3.57Å; W35-Y46 AromaticContact CZ2-CE1 3.91Å; W35-Y46 HydrophobicContact CZ2-CE1 3.91Å; W35-Y46 AromaticContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CE2 2.95Å; W35-Y46 HydrophobicContact CZ2-CG 4.27Å; W35-Y46 AromaticContact CZ2-CZ 3.15Å; W35-Y46 WeakPolarHBondContact CZ2-OH 3.43Å; W35-Y46 AromaticContact CZ3-CD2 3.62Å; W35-Y46 HydrophobicContact CZ3-CD2 3.62Å; W35-Y46 AromaticContact CZ3-CE2 3.94Å; W35-Y46 HydrophobicContact CZ3-CE2 3.94Å; W35-Y46 AromaticContact CZ3-CG 3.96Å; W35-Y46 HydrophobicContact CZ3-CG 3.96Å; W35-Y46 AromaticContact NE1-CE1 3.23Å; W35-Y46 AromaticContact NE1-CE2 3.95Å; W35-Y46 AromaticContact NE1-CZ 3.11Å; W35-Y46 PolarHBondContact NE1-OH 2.85Å |
| 47 | K | 96.4 | Very high | 85.1 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 145 | 169.8 | -170.4 | 148.3 | 69.8 | 176.2 | 0 | 109.7 | K34 V36 I45 V49 | K34-K47 PolarHBondContact N-O 2.96Å; K34-K47 PolarHBondContact O-N 3.2Å; V36-K47 HydrophobicContact CG2-CB 4.09Å; I45-K47 PolarHBondContact O-N 3.41Å; K47-V49 PolarHBondContact O-N 3.33Å |
| 48 | W | 96.3 | Very high | 82.8 | Confident | 151 Ų | 151 | 106.6 Ų | 106.6 | 57% | 0.572 | 58% | 0.582 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 117 | 169.8 | -64.4 | 102.3 | 0 | 0 | 0 | 108.7 | W31 E32 K33 | W31-W48 HydrophobicContact CB-CB 4.37Å; W31-W48 HydrophobicContact CB-CE3 4.11Å; W31-W48 HydrophobicContact CD2-CB 4.36Å; W31-W48 HydrophobicContact CE3-CB 3.46Å; W31-W48 VanDerWaalsContact CE3-CB 3.46Å; W31-W48 HydrophobicContact CE3-CG 4.42Å; W31-W48 HydrophobicContact CZ3-CB 4.11Å; W31-W48 WeakPolarHBondContact O-CZ3 3.25Å; E32-W48 WeakPolarHBondContact O-CA 3.29Å; K33-W48 HydrophobicContact CB-CD2 4.36Å; K33-W48 HydrophobicContact CB-CE3 4.01Å; K33-W48 HydrophobicContact CB-CH2 4.12Å; K33-W48 HydrophobicContact CB-CZ2 4.45Å; K33-W48 HydrophobicContact CB-CZ3 3.9Å; K33-W48 HydrophobicContact CD-CZ2 4.44Å |
| 49 | V | 94.6 | Very high | 80.9 | Confident | 40 Ų | 40 | 113.3 Ų | 113.3 | 24% | 0.242 | 61% | 0.605 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.3 | 179.4 | -92.9 | 0 | 0 | 0 | 0 | 109.6 | W31 E32 K34 K47 V51 | W31-V49 WeakPolarHBondContact CA-O 3.48Å; E32-V49 HydrophobicContact CG-CG2 4.02Å; E32-V49 PolarHBondContact N-O 3.24Å; E32-V49 WeakPolarHBondContact O-CG2 3.37Å; E32-V49 PolarHBondContact O-N 3.49Å; K34-V49 HydrophobicContact CB-CG2 3.64Å; K34-V49 HydrophobicContact CG-CG2 3.8Å; K47-V49 PolarHBondContact O-N 3.33Å; V49-V51 PolarHBondContact O-N 3.31Å |
| 50 | P | 94.1 | Very high | 79 | Confident | 78 Ų | 78 | 114.1 Ų | 114.1 | 51% | 0.506 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.2 | 131.9 | 177.4 | -20.4 | 32 | 0 | 0 | 0 | 111.6 | W31 T52 | W31-P50 HydrophobicContact CZ2-CG 4.45Å; P50-T52 PolarHBondContact O-N 2.92Å |
| 51 | V | 91.9 | Very high | 77 | Confident | 51 Ų | 51 | 115.4 Ų | 115.4 | 31% | 0.309 | 60% | 0.598 | S | S | . | * | trans | -85.7 | 105.2 | 170 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | N30 E32 V49 E53 | N30-V51 HydrophobicContact CB-CB 4.42Å; N30-V51 WeakPolarHBondContact O-CB 3.41Å; N30-V51 WeakPolarHBondContact O-CG2 3.17Å; N30-V51 PolarHBondContact O-N 2.97Å; E32-V51 HydrophobicContact CB-CG2 3.53Å; E32-V51 HydrophobicContact CG-CG2 3.41Å; E32-V51 VanDerWaalsContact CG-CG2 3.41Å; V49-V51 PolarHBondContact O-N 3.31Å; V51-E53 WeakPolarHBondContact CG1-O 3.48Å; V51-E53 PolarHBondContact O-N 3.42Å | ||
| 52 | T | 79.4 | Confident | 74.7 | Confident | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -78.6 | -5.2 | -175.8 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | P50 | P50-T52 PolarHBondContact O-N 2.92Š|
| 53 | E | 66.1 | Low | 72.9 | Confident | 105 Ų | 105 | 123 Ų | 123 | 49% | 0.491 | 62% | 0.617 | S | S | . | * | trans | -136.6 | 106.1 | 175.7 | -58.8 | -168.9 | 139.5 | 0 | 0 | 110 | V51 K55 | V51-E53 WeakPolarHBondContact CG1-O 3.48Å; V51-E53 PolarHBondContact O-N 3.42Å; E53-K55 HydrophobicContact CB-CB 4.44Å; E53-K55 HydrophobicContact CB-CG 3.62Å; E53-K55 HydrophobicContact CG-CG 4.41Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.2Å; E53-K55 PolarHBondContact OE1-NZ 3.15Å; E53-K55 WeakPolarHBondContact OE2-CE 3.42Å; E53-K55 WeakPolarHBondContact OE2-CG 3.48Å; E53-K55 IonicContact OE2-NZ 3.94Å; E53-K55 PolarHBondContact OE2-NZ 3.28Å | ||
| 54 | P | 61.1 | Low | 70.5 | Confident | 112 Ų | 112 | 126 Ų | 126 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | trans | -70.4 | 57.5 | 159.3 | 31.4 | -32.8 | 0 | 0 | 0 | 108.6 | ||||
| 55 | K | 54.9 | Low | 68.1 | Low | 134 Ų | 134 | 128.5 Ų | 128.5 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | trans | -73.8 | 126.2 | 165 | -64 | -119.6 | 175.5 | 88.9 | 0 | 105 | E53 N57 | E53-K55 HydrophobicContact CB-CB 4.44Å; E53-K55 HydrophobicContact CB-CG 3.62Å; E53-K55 HydrophobicContact CG-CG 4.41Å; E53-K55 PolarHBondContact O-N 3Å; E53-K55 IonicContact OE1-NZ 3.2Å; E53-K55 PolarHBondContact OE1-NZ 3.15Å; E53-K55 WeakPolarHBondContact OE2-CE 3.42Å; E53-K55 WeakPolarHBondContact OE2-CG 3.48Å; E53-K55 IonicContact OE2-NZ 3.94Å; E53-K55 PolarHBondContact OE2-NZ 3.28Å; K55-N57 PolarHBondContact O-N 3.37Å | ||
| 56 | S | 51.9 | Low | 65.9 | Low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | trans | -28.3 | 106.5 | 158.1 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | D58 | S56-D58 PolarHBondContact O-N 2.91Š| ||
| 57 | N | 45 | Very low | 63.4 | Low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | -73.7 | 69.9 | 169.8 | -174.1 | 28.1 | 0 | 0 | 0 | 107.9 | K55 K59 | K55-N57 PolarHBondContact O-N 3.37Å; N57-K59 VanDerWaalsContact C-N 3.33Å | ||
| 58 | D | 50.3 | Low | 60.6 | Low | 128 Ų | 128 | 130.2 Ų | 130.2 | 68% | 0.684 | 67% | 0.671 | S | S | * | * | trans | -101.9 | 31.8 | 176.8 | -141 | -50.9 | 0 | 0 | 0 | 109.9 | S56 | S56-D58 PolarHBondContact O-N 2.91Š| ||
| 59 | K | 54.6 | Low | 58.2 | Low | 203 Ų | 203 | 131.4 Ų | 131.4 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -110.9 | 13.5 | 178.1 | -84.5 | -167.7 | 177.1 | 76.8 | 0 | 114.2 | N57 | N57-K59 VanDerWaalsContact C-N 3.33Š| ||
| 60 | S | 55.2 | Low | 55.9 | Low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -128.3 | 53.5 | 167.3 | 70.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 61 | K | 49.8 | Very low | 53.4 | Low | 192 Ų | 192 | 145 Ų | 145 | 84% | 0.835 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -175.1 | 123.4 | 137.4 | -100 | 164.2 | -170.4 | 178.2 | 0 | 109.6 | ||
| 62 | N | 47.7 | Very low | 50.8 | Low | 165 Ų | 165 | 146 Ų | 146 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -67.8 | 149.3 | -178.3 | -149.8 | 21.4 | 0 | 0 | 0 | 111.5 | ||||
| 63 | K | 54.2 | Low | 49.5 | Very low | 189 Ų | 189 | 145.1 Ų | 145.1 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | 88.2 | 100.6 | 155.5 | -153.6 | 169.8 | -171.8 | 167.9 | 0 | 117.3 | ||||
| 64 | K | 48.1 | Very low | 48.1 | Very low | 173 Ų | 173 | 148.4 Ų | 148.4 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 160 | 127 | 101.1 | -168.3 | 163.9 | -176.9 | 168.8 | 0 | 111.5 | |||||
| 65 | K | 44.3 | Very low | 47.5 | Very low | 188 Ų | 188 | 149.6 Ų | 149.6 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | trans | 45.4 | 120.4 | 153.3 | -68.5 | -177.5 | 172.3 | -172.6 | 0 | 116.9 | ||||
| 66 | G | 50.4 | Low | 47 | Very low | 69 Ų | 69 | 148.9 Ų | 148.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 79.7 | 127.5 | 53.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 67 | K | 44.2 | Very low | 46.6 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | 80.6 | 138.8 | 175.4 | -127.9 | 104.2 | 176.7 | 178.4 | 0 | 113.7 | ||||
| 68 | D | 37.7 | Very low | 46.7 | Very low | 96 Ų | 96 | 148.8 Ų | 148.8 | 51% | 0.513 | 78% | 0.781 | S | S | . | * | cis | -164.2 | 127.1 | 15.6 | -164.6 | -136.1 | 0 | 0 | 0 | 106.4 | K70 | D68-K70 PolarHBondContact O-N 3.11Å; D68-K70 WeakPolarHBondContact OD1-CB 3.23Å; D68-K70 VanDerWaalsContact OD1-CD 3.29Å; D68-K70 WeakPolarHBondContact OD1-CD 3.27Å; D68-K70 VanDerWaalsContact OD1-CE 3.3Å; D68-K70 WeakPolarHBondContact OD1-CE 3.35Å; D68-K70 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 69 | D | 47.5 | Very low | 46.6 | Very low | 175 Ų | 175 | 151.6 Ų | 151.6 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -77.3 | 99.3 | 158.5 | -107.6 | -49.6 | 0 | 0 | 0 | 106.8 | ||||
| 70 | K | 45.8 | Very low | 45.9 | Very low | 164 Ų | 164 | 148.6 Ų | 148.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -148.1 | 117.2 | 163 | -77.7 | -167.4 | -148.8 | 177.9 | 0 | 112.5 | D68 | D68-K70 PolarHBondContact O-N 3.11Å; D68-K70 WeakPolarHBondContact OD1-CB 3.23Å; D68-K70 VanDerWaalsContact OD1-CD 3.29Å; D68-K70 WeakPolarHBondContact OD1-CD 3.27Å; D68-K70 VanDerWaalsContact OD1-CE 3.3Å; D68-K70 WeakPolarHBondContact OD1-CE 3.35Å; D68-K70 WeakPolarHBondContact OD1-CG 3.3Å | ||
| 71 | Y | 40.9 | Very low | 45.9 | Very low | 240 Ų | 240 | 149.6 Ų | 149.6 | 94% | 0.941 | 79% | 0.791 | S | S | * | * | trans | 4.2 | 121.4 | 132.2 | -105.3 | -102.8 | 0 | 0 | 0 | 116.1 | ||||
| 72 | G | 38.1 | Very low | 46 | Very low | 73 Ų | 73 | 145.7 Ų | 145.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -163.6 | 67.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | E74 | G72-E74 PolarHBondContact O-N 3.1Š| ||
| 73 | S | 51.7 | Low | 46.4 | Very low | 110 Ų | 110 | 142.9 Ų | 142.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 108.1 | 155.4 | 156.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 74 | E | 37.9 | Very low | 46.8 | Very low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | -139.3 | 109.8 | 150.3 | -70.4 | -154.4 | 123.6 | 0 | 0 | 110.3 | G72 T76 | G72-E74 PolarHBondContact O-N 3.1Å; E74-T76 PolarHBondContact O-N 3.15Å | ||
| 75 | V | 48.4 | Very low | 47.6 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -44.8 | 113.1 | 146.8 | 156.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 76 | T | 42.7 | Very low | 48.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 77% | 0.772 | S | S | * | * | trans | -141.3 | 116.1 | 154 | 59.8 | 0 | 0 | 0 | 0 | 109.3 | E74 | E74-T76 PolarHBondContact O-N 3.15Š| ||
| 77 | T | 44.8 | Very low | 49.6 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -42 | 133 | 170.9 | -35.8 | 0 | 0 | 0 | 0 | 112.8 | E79 | T77-E79 HydrophobicContact CG2-CG 4.05Š| ||
| 78 | P | 46.9 | Very low | 50.6 | Low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 90.7 | 157.4 | 31.9 | -24.9 | 0 | 0 | 0 | 109.1 | N80 | P78-N80 PolarHBondContact O-N 3.32Š| ||
| 79 | E | 46.8 | Very low | 52.1 | Low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 78% | 0.781 | S | S | * | * | trans | -83 | 90.1 | 154.8 | -76.5 | -143.2 | 104.7 | 0 | 0 | 108.4 | T77 | T77-E79 HydrophobicContact CG2-CG 4.05Š| ||
| 80 | N | 41.4 | Very low | 53.1 | Low | 140 Ų | 140 | 136.6 Ų | 136.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -166.5 | 105.7 | 147.2 | -157.2 | -17.8 | 0 | 0 | 0 | 111.3 | P78 | P78-N80 PolarHBondContact O-N 3.32Š| ||
| 81 | S | 54.4 | Low | 54.1 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 24.1 | 104.5 | 146.2 | -40.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 82 | S | 52.5 | Low | 55.1 | Low | 109 Ų | 109 | 129.6 Ų | 129.6 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | -159 | 109.2 | 125.6 | -161.9 | 0 | 0 | 0 | 0 | 108 | P84 | S82-P84 VanDerWaalsContact O-CD 3.25Å; S82-P84 WeakPolarHBondContact O-CD 3.25Å | |||
| 83 | S | 56.3 | Low | 56.1 | Low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | trans | -57.3 | 117.5 | 167.3 | -171.9 | 0 | 0 | 0 | 0 | 107.4 | G85 | S83-G85 PolarHBondContact O-N 3.25Š| ||
| 84 | P | 62 | Low | 56.4 | Low | 109 Ų | 109 | 130.4 Ų | 130.4 | 71% | 0.708 | 74% | 0.743 | S | S | * | * | trans | -67.7 | 105 | 170.2 | -10.6 | 26.9 | 0 | 0 | 0 | 105.7 | S82 M86 | S82-P84 VanDerWaalsContact O-CD 3.25Å; S82-P84 WeakPolarHBondContact O-CD 3.25Å; P84-M86 PolarHBondContact O-N 3.41Å | ||
| 85 | G | 65.1 | Low | 57.2 | Low | 58 Ų | 58 | 129 Ų | 129 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | trans | -44.4 | 130.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109 | S83 M87 | S83-G85 PolarHBondContact O-N 3.25Å; G85-M87 PolarHBondContact O-N 2.95Å | ||
| 86 | M | 65.8 | Low | 57.9 | Low | 183 Ų | 183 | 130.6 Ų | 130.6 | 90% | 0.901 | 74% | 0.739 | S | S | * | * | trans | -42.4 | 112.4 | 169.5 | -67.7 | -69.9 | -63.1 | 0 | 0 | 107.4 | P84 D88 | P84-M86 PolarHBondContact O-N 3.41Å; M86-D88 PolarHBondContact O-N 2.93Å | ||
| 87 | M | 71.3 | Confident | 58.7 | Low | 163 Ų | 163 | 130.4 Ų | 130.4 | 80% | 0.803 | 74% | 0.742 | S | S | * | * | trans | -59.7 | 112.3 | 174.4 | -61.9 | 137 | -177.5 | 0 | 0 | 105.6 | G85 M89 | G85-M87 PolarHBondContact O-N 2.95Å; M87-M89 PolarHBondContact O-N 3.28Å | ||
| 88 | D | 65.3 | Low | 59.3 | Low | 117 Ų | 117 | 129.8 Ų | 129.8 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | trans | -56.5 | 112 | 174.3 | -167.3 | 80.4 | 0 | 0 | 0 | 107.1 | M86 H90 | M86-D88 PolarHBondContact O-N 2.93Å; D88-H90 PolarHBondContact O-N 2.97Å; D88-H90 IonicContact OD2-CD2 2.67Å; D88-H90 PolarHBondContact OD2-CD2 3.22Å; D88-H90 VanDerWaalsContact OD2-CD2 3.28Å; D88-H90 IonicContact OD2-CE1 3.07Å; D88-H90 PolarHBondContact OD2-CE1 3.04Å; D88-H90 IonicContact OD2-CG 3.42Å; D88-H90 IonicContact OD2-ND1 3.38Å; D88-H90 PolarHBondContact OD2-ND1 3.21Å; D88-H90 IonicContact OD2-NE2 3.08Å; D88-H90 PolarHBondContact OD2-NE2 2.87Å; D88-H90 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 89 | M | 68.1 | Low | 59.9 | Low | 175 Ų | 175 | 132 Ų | 132 | 86% | 0.862 | 75% | 0.746 | S | S | * | * | trans | -73 | 81.4 | 176.6 | -68.6 | -175.6 | 91.4 | 0 | 0 | 107.4 | M87 D91 | M87-M89 PolarHBondContact O-N 3.28Å; M89-D91 PolarHBondContact O-N 3.38Å | ||
| 90 | H | 68.1 | Low | 60.4 | Low | 153 Ų | 153 | 127 Ų | 127 | 71% | 0.708 | 74% | 0.737 | S | S | * | * | trans | -68.7 | 76 | 158 | -71.3 | -62.2 | 0 | 0 | 0 | 108.3 | D88 D92 | D88-H90 PolarHBondContact O-N 2.97Å; D88-H90 IonicContact OD2-CD2 2.67Å; D88-H90 PolarHBondContact OD2-CD2 3.22Å; D88-H90 VanDerWaalsContact OD2-CD2 3.28Å; D88-H90 IonicContact OD2-CE1 3.07Å; D88-H90 PolarHBondContact OD2-CE1 3.04Å; D88-H90 IonicContact OD2-CG 3.42Å; D88-H90 IonicContact OD2-ND1 3.38Å; D88-H90 PolarHBondContact OD2-ND1 3.21Å; D88-H90 IonicContact OD2-NE2 3.08Å; D88-H90 PolarHBondContact OD2-NE2 2.87Å; D88-H90 VanDerWaalsContact OD2-NE2 3.08Å; H90-D92 PolarHBondContact O-N 3.18Å | ||
| 91 | D | 66.7 | Low | 61 | Low | 113 Ų | 113 | 127.2 Ų | 127.2 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | trans | -84.8 | 72.2 | 166.3 | -168.9 | 16.6 | 0 | 0 | 0 | 109.1 | M89 N93 | M89-D91 PolarHBondContact O-N 3.38Å; D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.37Å; D91-N93 PolarHBondContact OD1-N 3.08Å | ||
| 92 | D | 63.2 | Low | 61 | Low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 74% | 0.743 | S | S | * | * | trans | -80.7 | 17.2 | 163.9 | -80.5 | -56 | 0 | 0 | 0 | 111.6 | H90 S94 | H90-D92 PolarHBondContact O-N 3.18Å; D92-S94 PolarHBondContact O-N 3.07Å | ||
| 93 | N | 59 | Low | 61.2 | Low | 111 Ų | 111 | 127.9 Ų | 127.9 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | trans | -89 | 56.7 | 163.3 | -169.7 | 49.2 | 0 | 0 | 0 | 109.7 | D91 N95 | D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 WeakPolarHBondContact OD1-CB 3.37Å; D91-N93 PolarHBondContact OD1-N 3.08Å; N93-N95 PolarHBondContact O-N 3.38Å | ||
| 94 | S | 58.3 | Low | 61.1 | Low | 89 Ų | 89 | 128.8 Ų | 128.8 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -52.7 | 100.8 | 166 | -100.2 | 0 | 0 | 0 | 0 | 109.5 | D92 Q96 | D92-S94 PolarHBondContact O-N 3.07Å; S94-Q96 PolarHBondContact O-N 3.37Å | ||
| 95 | N | 54.7 | Low | 60.7 | Low | 143 Ų | 143 | 132.2 Ų | 132.2 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | trans | -64.3 | 78.5 | 159 | -78 | -43.6 | 0 | 0 | 0 | 108.6 | N93 S97 | N93-N95 PolarHBondContact O-N 3.38Å; N95-S97 PolarHBondContact O-N 3.34Å | ||
| 96 | Q | 62.4 | Low | 60.3 | Low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -77.7 | 24.4 | 168.4 | -84.5 | -147.2 | -3.2 | 0 | 0 | 113.1 | S94 S98 | S94-Q96 PolarHBondContact O-N 3.37Å; Q96-S98 VanDerWaalsContact C-N 3.26Å; Q96-S98 PolarHBondContact O-N 3.46Å | ||
| 97 | S | 58.8 | Low | 59.4 | Low | 113 Ų | 113 | 138.5 Ų | 138.5 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 85.2 | 170.9 | -63.3 | 0 | 0 | 0 | 0 | 109.7 | N95 I99 | N95-S97 PolarHBondContact O-N 3.34Å; S97-I99 PolarHBondContact O-N 3.23Å | ||
| 98 | S | 58.7 | Low | 57.9 | Low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | -41.6 | 127.3 | 160.8 | -179 | 0 | 0 | 0 | 0 | 111 | Q96 A100 | Q96-S98 VanDerWaalsContact C-N 3.26Å; Q96-S98 PolarHBondContact O-N 3.46Å; S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.21Å | ||
| 99 | I | 58.4 | Low | 57.3 | Low | 175 Ų | 175 | 140.7 Ų | 140.7 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -60.9 | 97.7 | 163.2 | -86.8 | 158.1 | 0 | 0 | 0 | 107.3 | S97 | S97-I99 PolarHBondContact O-N 3.23Š| ||
| 100 | A | 57.9 | Low | 56.2 | Low | 81 Ų | 81 | 137.8 Ų | 137.8 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | -124.2 | 96.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | S98 | S98-A100 VanDerWaalsContact C-N 3.33Å; S98-A100 PolarHBondContact O-N 3.21Å | ||
| 101 | D | 54.3 | Low | 55.5 | Low | 143 Ų | 143 | 138.6 Ų | 138.6 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 49.3 | 98.2 | 135.6 | -160.5 | 15.9 | 0 | 0 | 0 | 117.8 | ||||
| 102 | C | 53.9 | Low | 54.4 | Low | 133 Ų | 133 | 138.8 Ų | 138.8 | 90% | 0.899 | 79% | 0.787 | S | S | * | * | trans | -140.8 | 112.8 | 150.8 | -88.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 103 | S | 56.4 | Low | 53.8 | Low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | trans | -36.2 | 148.3 | 174.1 | -90.6 | 0 | 0 | 0 | 0 | 115.7 | M105 | S103-M105 PolarHBondContact O-N 2.88Å; S103-M105 VanDerWaalsContact O-N 3.12Å | ||
| 104 | P | 54 | Low | 53 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | -65 | 115.8 | 166.6 | 27.9 | -30.4 | 0 | 0 | 0 | 109.4 | K106 | P104-K106 PolarHBondContact O-N 2.81Š| ||
| 105 | M | 53.5 | Low | 52.5 | Low | 182 Ų | 182 | 138 Ų | 138 | 90% | 0.897 | 80% | 0.804 | S | S | * | * | trans | -57.8 | 133.4 | 171 | 62.7 | 170.2 | 71 | 0 | 0 | 109.9 | S103 Q107 | S103-M105 PolarHBondContact O-N 2.88Å; S103-M105 VanDerWaalsContact O-N 3.12Å; M105-Q107 PolarHBondContact O-N 3.45Å | ||
| 106 | K | 56.7 | Low | 51.9 | Low | 203 Ų | 203 | 135.4 Ų | 135.4 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -64.9 | 116.9 | 178 | -68 | -179.2 | 172 | -174.9 | 0 | 109.9 | P104 E108 | P104-K106 PolarHBondContact O-N 2.81Å; K106-E108 PolarHBondContact O-N 3.12Å | ||
| 107 | Q | 47.3 | Very low | 51.5 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | trans | 14.7 | 96.4 | 136.9 | -169.6 | 177.1 | -47 | 0 | 0 | 115.8 | M105 N109 | M105-Q107 PolarHBondContact O-N 3.45Å; Q107-N109 HydrophobicContact CG-CB 4.32Å; Q107-N109 PolarHBondContact O-N 2.94Å | ||
| 108 | E | 40.8 | Very low | 50.7 | Low | 194 Ų | 194 | 137.7 Ų | 137.7 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -87.3 | 88.9 | 159.2 | -168.7 | -170.5 | 114.7 | 0 | 0 | 108.3 | K106 | K106-E108 PolarHBondContact O-N 3.12Š| ||
| 109 | N | 52.5 | Low | 50.1 | Low | 132 Ų | 132 | 136.7 Ų | 136.7 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | trans | -113.9 | 109.5 | 159.3 | -106 | 78.6 | 0 | 0 | 0 | 106.1 | Q107 | Q107-N109 HydrophobicContact CG-CB 4.32Å; Q107-N109 PolarHBondContact O-N 2.94Å | ||
| 110 | S | 45 | Very low | 49 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -176.4 | 104.2 | 138.2 | -78.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 111 | N | 52.5 | Low | 48 | Very low | 171 Ų | 171 | 135.1 Ų | 135.1 | 91% | 0.914 | 81% | 0.808 | S | S | * | * | trans | -51.6 | 130.8 | 144.9 | -78.7 | 22.3 | 0 | 0 | 0 | 109.1 | ||||
| 112 | S | 44.8 | Very low | 47.1 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -148.9 | 101.6 | 155.3 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 113 | A | 50.5 | Low | 46.3 | Very low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | trans | -81.1 | 155.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 114 | S | 42 | Very low | 45.3 | Very low | 111 Ų | 111 | 136.9 Ų | 136.9 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | 87.8 | 142.3 | 161.2 | -54.4 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 115 | P | 47.3 | Very low | 44.3 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -125.9 | 139.2 | 78.8 | 35.9 | -26 | 0 | 0 | 0 | 116.2 | |||||
| 116 | A | 41.5 | Very low | 43.5 | Very low | 87 Ų | 87 | 134.8 Ų | 134.8 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | trans | 35.3 | 145.6 | 140.3 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 117 | P | 53.7 | Low | 42.6 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -88.6 | 143.1 | 173.2 | 36.3 | -31.4 | 0 | 0 | 0 | 112.2 | ||||
| 118 | E | 42.6 | Very low | 42 | Very low | 204 Ų | 204 | 129.5 Ų | 129.5 | 95% | 0.953 | 80% | 0.797 | S | S | * | * | trans | -110 | 127.1 | 163.6 | -123.1 | -173.6 | 124.5 | 0 | 0 | 109.6 | ||||
| 119 | A | 45.7 | Very low | 41.9 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -127.6 | 144.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 120 | T | 36.8 | Very low | 41.1 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | trans | 82.5 | 135.1 | 164 | 74.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 121 | A | 36.8 | Very low | 40.8 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 66% | 0.661 | 79% | 0.792 | S | S | * | * | cis | -163.2 | 158.2 | 18 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 122 | T | 35.5 | Very low | 40.3 | Very low | 132 Ų | 132 | 127 Ų | 127 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 65.8 | 135.9 | 144.6 | 40.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 123 | S | 35.8 | Very low | 39.9 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | cis | -171.3 | 160.3 | 17.7 | -100.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 124 | Q | 36.2 | Very low | 39.3 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 76 | 129.7 | 155.6 | -69.8 | 168.8 | -25.4 | 0 | 0 | 117.7 | ||||
| 125 | S | 32.3 | Very low | 39 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | cis | -159.5 | 157.1 | 25.1 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 126 | D | 37.3 | Very low | 38.4 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -49.8 | 141.8 | -179 | -58.9 | -93.4 | 0 | 0 | 0 | 116.6 | ||||
| 127 | S | 36.9 | Very low | 38.1 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | -177.1 | 121.4 | 108.7 | -76.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 128 | N | 36.3 | Very low | 37.8 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -22.3 | 151 | 148.7 | -112.6 | 25.6 | 0 | 0 | 0 | 114.3 | ||||
| 129 | E | 37 | Very low | 37.2 | Very low | 169 Ų | 169 | 128 Ų | 128 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | cis | -164.4 | 152.5 | 39.2 | -166.1 | 160.6 | 106.2 | 0 | 0 | 111.7 | ||||
| 130 | A | 37.2 | Very low | 37.2 | Very low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 154.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 131 | K | 38.2 | Very low | 37 | Very low | 203 Ų | 203 | 134.3 Ų | 134.3 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | 164.2 | 142.6 | 97.1 | -89.3 | -163.7 | 178.4 | 169.1 | 0 | 112.6 | |||||
| 132 | S | 42.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -67.9 | 156.6 | 158.7 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 133 | D | 36.7 | Very low | 37.2 | Very low | 131 Ų | 131 | 139.7 Ų | 139.7 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | 116.5 | 137.7 | 142.8 | -152.7 | -125.2 | 0 | 0 | 0 | 118.1 | ||||
| 134 | Q | 37.9 | Very low | 37.1 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 74.4 | 113.3 | 154.8 | -97 | -178.5 | -8.4 | 0 | 0 | 122.3 | ||||
| 135 | S | 35.9 | Very low | 37.3 | Very low | 96 Ų | 96 | 140.7 Ų | 140.7 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | 88 | 132.8 | 121 | -70.1 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 136 | Q | 33.8 | Very low | 37.4 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 83.8 | 122.6 | 144.9 | -77.1 | -179.2 | -17.3 | 0 | 0 | 120.8 | ||||
| 137 | S | 34.4 | Very low | 37.3 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -63 | -167.9 | 161.9 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 138 | P | 48.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 140.7 Ų | 140.7 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | cis | -121.8 | 162 | -36 | 28.2 | -10.2 | 0 | 0 | 0 | 111.5 | ||||
| 139 | G | 30.2 | Very low | 37.8 | Very low | 80 Ų | 80 | 143 Ų | 143 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -165.1 | 122.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 140 | K | 44.6 | Very low | 38 | Very low | 187 Ų | 187 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | -79 | 176.1 | -177 | -60.5 | 177.4 | 174.2 | -179 | 0 | 111.7 | ||||
| 141 | E | 33.4 | Very low | 38 | Very low | 170 Ų | 170 | 140.4 Ų | 140.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 81.9 | 136.9 | 161.1 | -54.2 | 155.5 | -166.5 | 0 | 0 | 113.5 | ||||
| 142 | Q | 33.1 | Very low | 38.2 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | cis | -163.3 | 159 | 15.4 | -149.5 | 166.5 | -63.9 | 0 | 0 | 109.7 | ||||
| 143 | L | 42.9 | Very low | 38.2 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -50.4 | 142.8 | 175.2 | -59.9 | 122.7 | 0 | 0 | 0 | 114.6 | ||||
| 144 | K | 34.6 | Very low | 38.3 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 90% | 0.9 | 79% | 0.789 | S | S | * | * | trans | -152 | 116.5 | 137.2 | -149.5 | 162 | -164.3 | -110.6 | 0 | 112.9 | ||||
| 145 | S | 40 | Very low | 38.2 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 147.3 | 168.4 | -38.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 146 | T | 33.8 | Very low | 38.6 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -172.6 | 108.1 | 132.1 | 39.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 147 | D | 35.3 | Very low | 38.6 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | 20.1 | 134.8 | 137.7 | -152.4 | -117.8 | 0 | 0 | 0 | 124.1 | ||||
| 148 | S | 40.1 | Very low | 39.1 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | trans | 62.3 | 118.1 | 146.8 | -66.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 149 | K | 42.9 | Very low | 38.6 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | 174.3 | 122.9 | 96.7 | -172.9 | 154.5 | -176.5 | -179.8 | 0 | 113.7 | |||||
| 150 | S | 41.2 | Very low | 39.2 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 26.1 | 123 | 152.1 | 68.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 151 | G | 37.2 | Very low | 38.8 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -165.7 | 73.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 152 | N | 43.1 | Very low | 39.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -66.7 | 120.3 | 168.3 | 160.5 | 55.6 | 0 | 0 | 0 | 110.3 | ||||
| 153 | V | 41.9 | Very low | 39.8 | Very low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | trans | -164.7 | 117.8 | 139.6 | -158 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 154 | H | 39.5 | Very low | 39.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | trans | 76.6 | 100 | 152.5 | -65 | -177.3 | 0 | 0 | 0 | 121.9 | ||||
| 155 | S | 35.8 | Very low | 40.3 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -90.4 | 123.5 | 153.4 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | E157 | S155-E157 PolarHBondContact O-N 2.93Š| ||
| 156 | S | 43.2 | Very low | 40.6 | Very low | 109 Ų | 109 | 143 Ų | 143 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -77.2 | 107.4 | 173.1 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | E | 34.2 | Very low | 41 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 123.9 | 168 | -84.9 | 175.9 | 101.5 | 0 | 0 | 110.9 | S155 | S155-E157 PolarHBondContact O-N 2.93Š| ||
| 158 | Y | 45.4 | Very low | 41 | Very low | 224 Ų | 224 | 140.4 Ų | 140.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -90.9 | 87.3 | 155.3 | 52.8 | -88 | 0 | 0 | 0 | 108.2 | ||||
| 159 | S | 37.6 | Very low | 41 | Very low | 81 Ų | 81 | 147.8 Ų | 147.8 | 57% | 0.566 | 81% | 0.81 | S | S | * | * | trans | -91.3 | 101.7 | 169.4 | -83.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 160 | N | 42.3 | Very low | 40.7 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | trans | -110.5 | 93.4 | 161.5 | -92.6 | -1.5 | 0 | 0 | 0 | 108.6 | ||||
| 161 | T | 36.9 | Very low | 40.5 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | trans | -119 | 101.3 | 163.4 | 55.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 162 | S | 41.4 | Very low | 40.3 | Very low | 124 Ų | 124 | 144.8 Ų | 144.8 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -91 | 107.3 | 170.3 | 30.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 163 | T | 46.2 | Very low | 39.8 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | -109.5 | 131.6 | 162.4 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 164 | P | 44.8 | Very low | 39.5 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82 | 120.4 | 171.4 | 30.7 | -29.4 | 0 | 0 | 0 | 110.3 | ||
| 165 | K | 44 | Very low | 39.3 | Very low | 183 Ų | 183 | 143 Ų | 143 | 80% | 0.796 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 129.4 | 166.8 | -115.8 | -176.2 | 174.6 | -174.4 | 0 | 109.1 | ||
| 166 | R | 44.9 | Very low | 39.8 | Very low | 246 Ų | 246 | 143.6 Ų | 143.6 | 93% | 0.928 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 135.2 | 160.7 | -76.7 | -179.5 | -166.8 | 153.1 | 3.4 | 108.4 | ||
| 167 | D | 41.9 | Very low | 39.5 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -127.3 | 126.8 | 158 | -74 | -54.7 | 0 | 0 | 0 | 109.3 | ||||
| 168 | G | 35.4 | Very low | 39.5 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -85.3 | 164.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 169 | R | 40.9 | Very low | 38.9 | Very low | 250 Ų | 250 | 137 Ų | 137 | 94% | 0.943 | 80% | 0.804 | S | S | * | * | trans | -140.3 | 117.7 | 169.1 | -162.3 | 153.6 | 153 | -109.4 | -1.5 | 109.5 | ||||
| 170 | S | 37.3 | Very low | 38.9 | Very low | 107 Ų | 107 | 139.1 Ų | 139.1 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -83 | 150.8 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 171 | T | 36.8 | Very low | 38.9 | Very low | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -174.1 | 125.1 | 141.9 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 172 | G | 32.3 | Very low | 38.9 | Very low | 75 Ų | 75 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 62.2 | 121.4 | 148.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 173 | G | 32.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | cis | 107.6 | 104 | 37.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 174 | N | 35.4 | Very low | 38.1 | Very low | 172 Ų | 172 | 140 Ų | 140 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | trans | 174.5 | 113.1 | 153.3 | -84.8 | -26.8 | 0 | 0 | 0 | 109.9 | ||||
| 175 | E | 36.2 | Very low | 37.8 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | -82.7 | 157.3 | 156.5 | -81.3 | -139.6 | 104.2 | 0 | 0 | 109.4 | ||||
| 176 | P | 46.3 | Very low | 37.4 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | -142.6 | 148.2 | 92.4 | 31.3 | -13.2 | 0 | 0 | 0 | 115.9 | |||||
| 177 | S | 36.5 | Very low | 37.1 | Very low | 91 Ų | 91 | 136 Ų | 136 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | trans | -36.1 | 151.5 | 159.9 | -58.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 178 | S | 34.5 | Very low | 36.9 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | -175.5 | 130 | 127.5 | -75.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 179 | D | 33 | Very low | 37.2 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | 34.1 | 120.8 | 143.3 | -83.2 | -71.8 | 0 | 0 | 0 | 123.5 | ||||
| 180 | T | 38.1 | Very low | 37 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -62.6 | 146.1 | 145.8 | 21 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 181 | P | 42.1 | Very low | 37 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | -149.2 | 147.3 | 83.1 | 35.7 | -15.9 | 0 | 0 | 0 | 117.4 | |||||
| 182 | Q | 36.5 | Very low | 37.6 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 26.2 | 113.2 | 138.3 | -160.3 | 179 | -24.8 | 0 | 0 | 120.7 | ||||
| 183 | D | 30.7 | Very low | 38.7 | Very low | 154 Ų | 154 | 135 Ų | 135 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | trans | -157.1 | 162.8 | 136.6 | -161.9 | 16 | 0 | 0 | 0 | 111 | ||||
| 184 | S | 40.3 | Very low | 39.1 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -90.1 | 162.3 | -145 | -47.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 185 | Q | 38.4 | Very low | 39.8 | Very low | 179 Ų | 179 | 140.5 Ų | 140.5 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | 128 | 99 | 159.8 | -76.4 | -178.5 | -103.3 | 0 | 0 | 111.2 | ||||
| 186 | E | 35.8 | Very low | 40.4 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | 60.6 | 97.1 | 92.6 | -172.4 | -171.7 | 90.7 | 0 | 0 | 112.3 | |||||
| 187 | S | 37.7 | Very low | 40.3 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 179.2 | 156.2 | 126.7 | -156.7 | 0 | 0 | 0 | 0 | 110 | |||||
| 188 | E | 39.1 | Very low | 40.7 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -83.8 | 165.5 | -150.9 | -54 | -163.6 | 98.9 | 0 | 0 | 115.7 | ||||
| 189 | D | 41.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 147.6 Ų | 147.6 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | 85.6 | 80.2 | 153.5 | -137.9 | 63.5 | 0 | 0 | 0 | 119.4 | ||||
| 190 | G | 37.1 | Very low | 41.3 | Very low | 70 Ų | 70 | 149.4 Ų | 149.4 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | 76.7 | 82.7 | 109 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 191 | T | 37.8 | Very low | 41.7 | Very low | 138 Ų | 138 | 149 Ų | 149 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -53.8 | 147.7 | 169.1 | -43 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 192 | P | 47.4 | Very low | 42.3 | Very low | 110 Ų | 110 | 149.8 Ų | 149.8 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | trans | -85.6 | -161.3 | 170.9 | 37.1 | -36.3 | 0 | 0 | 0 | 112.1 | ||||
| 193 | P | 56.5 | Low | 42.7 | Very low | 110 Ų | 110 | 146.4 Ų | 146.4 | 71% | 0.714 | 82% | 0.821 | S | S | * | * | -109.7 | 165.6 | -67.8 | 36.7 | -23.3 | 0 | 0 | 0 | 112.1 | |||||
| 194 | N | 41.4 | Very low | 43.5 | Very low | 169 Ų | 169 | 143.9 Ų | 143.9 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -158.3 | 147.6 | 156.1 | -117.1 | -51.7 | 0 | 0 | 0 | 116.7 | ||||
| 195 | K | 48.6 | Very low | 43.7 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 83% | 0.831 | S | S | * | * | trans | -80.1 | 154.3 | -176.3 | -67.5 | 169 | 174 | 170.5 | 0 | 112.4 | ||||
| 196 | K | 49.3 | Very low | 44.6 | Very low | 212 Ų | 212 | 146.7 Ų | 146.7 | 92% | 0.922 | 83% | 0.827 | S | S | * | * | 141.7 | 142.9 | 128.7 | -77.7 | 173.7 | -177 | -178.3 | 0 | 112.7 | |||||
| 197 | G | 44.1 | Very low | 45.7 | Very low | 84 Ų | 84 | 146.5 Ų | 146.5 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | 154.1 | 116.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 198 | K | 44.9 | Very low | 46.4 | Very low | 199 Ų | 199 | 147.7 Ų | 147.7 | 87% | 0.865 | 82% | 0.819 | S | S | * | * | trans | -104.4 | 161.1 | 176.3 | -125 | 179.6 | -178.8 | -178 | 0 | 108.2 | ||||
| 199 | L | 43.5 | Very low | 46.7 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 83% | 0.827 | 83% | 0.831 | S | S | * | * | trans | 80.9 | 116.5 | 170.8 | -92.2 | 89.9 | 0 | 0 | 0 | 117.6 | ||||
| 200 | E | 38 | Very low | 47 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 90% | 0.902 | 83% | 0.829 | S | S | * | * | trans | -153.2 | 139.6 | 132.2 | -119.8 | -175 | 125.3 | 0 | 0 | 111.5 | ||||
| 201 | T | 45.8 | Very low | 47.5 | Very low | 119 Ų | 119 | 152.7 Ų | 152.7 | 73% | 0.73 | 83% | 0.834 | S | S | * | * | trans | -72.9 | 157.6 | 177.4 | 39.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | P | 54.1 | Low | 48.1 | Very low | 134 Ų | 134 | 153.5 Ų | 153.5 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | trans | -106.1 | 116.3 | 154.7 | 33 | -23.2 | 0 | 0 | 0 | 111.1 | ||||
| 203 | S | 45 | Very low | 48.1 | Very low | 117 Ų | 117 | 156.1 Ų | 156.1 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | -122.8 | 115.2 | 157.8 | -175.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 204 | A | 48.5 | Very low | 47.6 | Very low | 100 Ų | 100 | 158.9 Ų | 158.9 | 83% | 0.826 | 85% | 0.848 | S | S | * | * | trans | -150.4 | 104.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 205 | D | 43.7 | Very low | 48 | Very low | 160 Ų | 160 | 158.3 Ų | 158.3 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -44.5 | 138.9 | 158.8 | -126.8 | -27.3 | 0 | 0 | 0 | 111 | ||||
| 206 | F | 56.5 | Low | 48 | Very low | 169 Ų | 169 | 156.3 Ų | 156.3 | 74% | 0.741 | 85% | 0.847 | S | S | * | * | trans | -125.8 | 106.2 | 157.6 | 178.7 | -96.3 | 0 | 0 | 0 | 107.5 | E208 | F206-E208 HydrophobicContact CE1-CB 3.83Å; F206-E208 HydrophobicContact CZ-CB 3.78Å | ||
| 207 | E | 59.7 | Low | 47.9 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 84% | 0.842 | S | S | * | * | trans | -88.9 | 116.6 | 171.4 | -171.9 | -178.8 | -153.5 | 0 | 0 | 107.6 | ||||
| 208 | E | 51.6 | Low | 48.2 | Very low | 142 Ų | 142 | 157.7 Ų | 157.7 | 66% | 0.664 | 84% | 0.84 | S | S | * | * | trans | -164.4 | 116 | 150.8 | -125.2 | -172.3 | 109.6 | 0 | 0 | 112.1 | F206 | F206-E208 HydrophobicContact CE1-CB 3.83Å; F206-E208 HydrophobicContact CZ-CB 3.78Å | ||
| 209 | I | 47.2 | Very low | 48.5 | Very low | 222 Ų | 222 | 153.9 Ų | 153.9 | 100% | 1.138 | 84% | 0.837 | S | S | * | * | trans | 71.7 | 0 | 155.3 | -32.1 | -173.2 | 0 | 0 | 0 | 119.6 |
Retrieved 209 of 209 residues in 343.2 ms
(Link to these results)