| 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 | 54.4 | Low | 74.7 | Confident | 217 Ų | 217 | 88.4 Ų | 88.4 | 100% | 1.069 | 53% | 0.53 | S | S | * | . | 0 | -30.3 | 0 | -82.7 | 175.7 | 170.3 | 0 | 0 | 112.4 | |||||
| 2 | G | 62.3 | Low | 75.1 | Confident | 41 Ų | 41 | 86.8 Ų | 86.8 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -49 | -59.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A4 I5 D6 | G2-A4 VanDerWaalsContact C-N 3.27Å; G2-A4 PolarHBondContact O-N 3.05Å; G2-I5 WeakPolarHBondContact O-CA 3.35Å; G2-I5 WeakPolarHBondContact O-CB 3.29Å; G2-I5 PolarHBondContact O-N 3.17Å; G2-D6 PolarHBondContact O-N 3.44Å; G2-D6 VanDerWaalsContact O-OD2 3.12Å |
| 3 | A | 71.1 | Confident | 75.6 | Confident | 65 Ų | 65 | 80.4 Ų | 80.4 | 54% | 0.537 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -46.3 | -40.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116 | I5 D6 D7 | A3-I5 VanDerWaalsContact C-N 3.3Å; A3-I5 PolarHBondContact O-N 3.37Å; A3-D6 VanDerWaalsContact CA-OD2 3.31Å; A3-D6 WeakPolarHBondContact CA-OD2 3.48Å; A3-D6 PolarHBondContact N-OD2 3.35Å; A3-D6 VanDerWaalsContact N-OD2 3.17Å; A3-D6 PolarHBondContact O-N 3.43Å; A3-D7 WeakPolarHBondContact O-CB 3.47Å; A3-D7 PolarHBondContact O-N 3.23Å |
| 4 | A | 79.1 | Confident | 75.6 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.1 | -17.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G2 | G2-A4 VanDerWaalsContact C-N 3.27Å; G2-A4 PolarHBondContact O-N 3.05Å |
| 5 | I | 74.3 | Confident | 75.5 | Confident | 106 Ų | 106 | 90.7 Ų | 90.7 | 54% | 0.544 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -85.3 | -42.1 | 169.6 | -59.3 | 171.3 | 0 | 0 | 0 | 108.7 | G2 A3 L8 V9 | G2-I5 WeakPolarHBondContact O-CA 3.35Å; G2-I5 WeakPolarHBondContact O-CB 3.29Å; G2-I5 PolarHBondContact O-N 3.17Å; A3-I5 VanDerWaalsContact C-N 3.3Å; A3-I5 PolarHBondContact O-N 3.37Å; I5-L8 PolarHBondContact O-N 2.81Å; I5-L8 VanDerWaalsContact O-N 3.16Å; I5-V9 HydrophobicContact CG2-CG2 4.38Å; I5-V9 WeakPolarHBondContact O-CG2 3.36Å; I5-V9 PolarHBondContact O-N 3.35Å |
| 6 | D | 79.1 | Confident | 75.3 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -48.6 | 176 | -51.5 | -40.9 | 0 | 0 | 0 | 110.4 | G2 A3 L8 V9 D10 | G2-D6 PolarHBondContact O-N 3.44Å; G2-D6 VanDerWaalsContact O-OD2 3.12Å; A3-D6 VanDerWaalsContact CA-OD2 3.31Å; A3-D6 WeakPolarHBondContact CA-OD2 3.48Å; A3-D6 PolarHBondContact N-OD2 3.35Å; A3-D6 VanDerWaalsContact N-OD2 3.17Å; A3-D6 PolarHBondContact O-N 3.43Å; D6-L8 VanDerWaalsContact C-N 3.25Å; D6-L8 PolarHBondContact O-N 2.73Å; D6-V9 PolarHBondContact O-N 3.12Å; D6-V9 VanDerWaalsContact O-N 3.15Å; D6-D10 WeakPolarHBondContact O-CB 3.33Å; D6-D10 PolarHBondContact O-N 3.19Å |
| 7 | D | 79.4 | Confident | 74.8 | Confident | 111 Ų | 111 | 88.5 Ų | 88.5 | 59% | 0.594 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -55.7 | -36.7 | 174.2 | -66.1 | -26.8 | 0 | 0 | 0 | 112.6 | A3 A11 | A3-D7 WeakPolarHBondContact O-CB 3.47Å; A3-D7 PolarHBondContact O-N 3.23Å; D7-A11 WeakPolarHBondContact O-CB 3.3Å; D7-A11 PolarHBondContact O-N 3.22Å; D7-A11 VanDerWaalsContact O-N 3.13Å |
| 8 | L | 80.4 | Confident | 74 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.2 | -39.1 | 179 | -179 | 66.2 | 0 | 0 | 0 | 111.7 | I5 D6 D10 A11 V12 | I5-L8 PolarHBondContact O-N 2.81Å; I5-L8 VanDerWaalsContact O-N 3.16Å; D6-L8 VanDerWaalsContact C-N 3.25Å; D6-L8 PolarHBondContact O-N 2.73Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-A11 PolarHBondContact O-N 3.37Å; L8-V12 WeakPolarHBondContact O-CB 3.47Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.35Å |
| 9 | V | 81.5 | Confident | 73.3 | Confident | 42 Ų | 42 | 92.9 Ų | 92.9 | 26% | 0.255 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 176 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | I5 D6 D13 | I5-V9 HydrophobicContact CG2-CG2 4.38Å; I5-V9 WeakPolarHBondContact O-CG2 3.36Å; I5-V9 PolarHBondContact O-N 3.35Å; D6-V9 PolarHBondContact O-N 3.12Å; D6-V9 VanDerWaalsContact O-N 3.15Å; V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.81Å |
| 10 | D | 78.9 | Confident | 72.6 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.374 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67 | -42.7 | 174.6 | -75.4 | 6.8 | 0 | 0 | 0 | 111.3 | D6 L8 D13 E14 R182 | D6-D10 WeakPolarHBondContact O-CB 3.33Å; D6-D10 PolarHBondContact O-N 3.19Å; L8-D10 VanDerWaalsContact C-N 3.34Å; D10-D13 PolarHBondContact O-N 3.25Å; D10-E14 WeakPolarHBondContact O-CB 3.47Å; D10-E14 PolarHBondContact O-N 2.76Å; D10-R182 IonicContact OD1-CZ 2.79Å; D10-R182 IonicContact OD1-NE 2.64Å; D10-R182 PolarHBondContact OD1-NE 2.91Å; D10-R182 IonicContact OD1-NH2 3.33Å; D10-R182 PolarHBondContact OD1-NH2 3.32Å; D10-R182 IonicContact OD2-NE 3.24Å |
| 11 | A | 81.1 | Confident | 71.9 | Confident | 45 Ų | 45 | 99.1 Ų | 99.1 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.1 | -41.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D7 L8 E14 E15 | D7-A11 WeakPolarHBondContact O-CB 3.3Å; D7-A11 PolarHBondContact O-N 3.22Å; D7-A11 VanDerWaalsContact O-N 3.13Å; L8-A11 PolarHBondContact O-N 3.37Å; A11-E14 PolarHBondContact O-N 3.11Å; A11-E15 PolarHBondContact O-N 2.85Å |
| 12 | V | 79.3 | Confident | 71.9 | Confident | 69 Ų | 69 | 90.8 Ų | 90.8 | 42% | 0.418 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 175 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | L8 E14 V16 | L8-V12 WeakPolarHBondContact O-CB 3.47Å; L8-V12 VanDerWaalsContact O-CG2 3.3Å; L8-V12 WeakPolarHBondContact O-CG2 3.18Å; L8-V12 PolarHBondContact O-N 3.35Å; V12-E14 VanDerWaalsContact C-N 3.34Å; V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 2.71Å |
| 13 | D | 81.4 | Confident | 71.6 | Confident | 4 Ų | 4 | 95 Ų | 95 | 2% | 0.021 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 170.8 | -84.3 | -11.5 | 0 | 0 | 0 | 111.6 | V9 D10 P175 R178 R179 R182 | V9-D13 WeakPolarHBondContact O-CB 3.31Å; V9-D13 PolarHBondContact O-N 2.81Å; D10-D13 PolarHBondContact O-N 3.25Å; D13-P175 WeakPolarHBondContact OD1-CA 3.35Å; D13-P175 WeakPolarHBondContact OD1-CB 3.39Å; D13-R178 IonicContact OD1-CZ 3.01Å; D13-R178 IonicContact OD1-NE 2.64Å; D13-R178 PolarHBondContact OD1-NE 3.12Å; D13-R178 IonicContact OD1-NH2 3.9Å; D13-R178 PolarHBondContact OD1-NH2 3.14Å; D13-R178 IonicContact OD2-CZ 2.84Å; D13-R178 IonicContact OD2-NE 2.9Å; D13-R178 PolarHBondContact OD2-NE 3.03Å; D13-R178 IonicContact OD2-NH2 3.83Å; D13-R179 PolarHBondContact O-NE 2.98Å; D13-R179 VanDerWaalsContact O-NE 3.07Å; D13-R179 PolarHBondContact O-NH2 3.21Å; D13-R182 IonicContact OD2-CZ 3.85Å; D13-R182 IonicContact OD2-NH1 2.66Å; D13-R182 PolarHBondContact OD2-NH1 2.93Å; D13-R182 IonicContact OD2-NH2 3.53Å; D13-R182 PolarHBondContact OD2-NH2 2.82Å |
| 14 | E | 76.5 | Confident | 70.8 | Confident | 152 Ų | 152 | 100.4 Ų | 100.4 | 71% | 0.71 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -71.7 | -38.9 | 178.4 | -169.6 | 167.9 | -150.6 | 0 | 0 | 112.2 | D10 A11 V12 V16 | D10-E14 WeakPolarHBondContact O-CB 3.47Å; D10-E14 PolarHBondContact O-N 2.76Å; A11-E14 PolarHBondContact O-N 3.11Å; V12-E14 VanDerWaalsContact C-N 3.34Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.74Å |
| 15 | E | 73.6 | Confident | 69.6 | Low | 164 Ų | 164 | 99.6 Ų | 99.6 | 77% | 0.766 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70 | -18.3 | 176.7 | -71.7 | -174.5 | 151.8 | 0 | 0 | 114.3 | A11 D17 | A11-E15 PolarHBondContact O-N 2.85Å; E15-D17 PolarHBondContact O-N 2.83Å |
| 16 | V | 72.8 | Confident | 68.9 | Low | 55 Ų | 55 | 102.3 Ų | 102.3 | 33% | 0.333 | 57% | 0.566 | S | S | . | * | trans | -89.4 | 78.5 | 177.7 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | V12 E14 E18 L21 R179 | V12-V16 WeakPolarHBondContact O-CG2 3.48Å; V12-V16 PolarHBondContact O-N 2.71Å; E14-V16 VanDerWaalsContact C-N 3.29Å; E14-V16 PolarHBondContact O-N 2.74Å; V16-E18 PolarHBondContact O-N 3.45Å; V16-L21 HydrophobicContact CG1-CD1 3.93Å; V16-R179 PolarHBondContact O-NH1 3Å; V16-R179 PolarHBondContact O-NH2 2.83Å | ||
| 17 | D | 66.3 | Low | 67.9 | Low | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 58% | 0.581 | S | S | . | * | trans | -70.6 | 119 | 173.7 | -84 | -28.9 | 0 | 0 | 0 | 111.5 | E15 D19 E20 L21 | E15-D17 PolarHBondContact O-N 2.83Å; D17-D19 PolarHBondContact O-N 2.84Å; D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.12Å; D17-L21 PolarHBondContact O-N 2.7Å | ||
| 18 | E | 60.9 | Low | 66.9 | Low | 104 Ų | 104 | 107.8 Ų | 107.8 | 49% | 0.486 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.4 | -19.7 | 179.1 | -71.6 | 166.3 | -135.8 | 0 | 0 | 111.7 | V16 R179 | V16-E18 PolarHBondContact O-N 3.45Å; E18-R179 IonicContact OE1-CZ 2.74Å; E18-R179 IonicContact OE1-NH1 2.74Å; E18-R179 PolarHBondContact OE1-NH1 3.35Å |
| 19 | D | 60.4 | Low | 65.8 | Low | 156 Ų | 156 | 109.3 Ų | 109.3 | 83% | 0.834 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -19.5 | 177.1 | -63.3 | -22.3 | 0 | 0 | 0 | 113.2 | D17 | D17-D19 PolarHBondContact O-N 2.84Š|
| 20 | E | 58.6 | Low | 64.9 | Low | 171 Ų | 171 | 112.3 Ų | 112.3 | 80% | 0.799 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -28.6 | 173.7 | -174.9 | 169.7 | -170.7 | 0 | 0 | 111.9 | D17 G22 | D17-E20 PolarHBondContact O-N 3.05Å; D17-E20 VanDerWaalsContact O-N 3.12Å; E20-G22 PolarHBondContact O-N 3.44Å |
| 21 | L | 58.6 | Low | 63.9 | Low | 145 Ų | 145 | 112.1 Ų | 112.1 | 76% | 0.759 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -80.8 | 4.9 | 173.9 | -84.2 | 158.9 | 0 | 0 | 0 | 113.8 | V16 D17 | V16-L21 HydrophobicContact CG1-CD1 3.93Å; D17-L21 PolarHBondContact O-N 2.7Å |
| 22 | G | 54.8 | Low | 63.2 | Low | 42 Ų | 42 | 114.7 Ų | 114.7 | 43% | 0.433 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -104.7 | 115.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | E20 | E20-G22 PolarHBondContact O-N 3.44Š|
| 23 | T | 55.8 | Low | 62.6 | Low | 130 Ų | 130 | 122.6 Ų | 122.6 | 80% | 0.798 | 68% | 0.679 | S | S | * | * | trans | 87.2 | 34.1 | 153.9 | -154.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 24 | D | 54.9 | Low | 61.3 | Low | 179 Ų | 179 | 133.4 Ų | 133.4 | 96% | 0.957 | 72% | 0.72 | S | S | * | * | trans | -94.3 | 100.1 | 142.1 | -69.6 | -27.7 | 0 | 0 | 0 | 107.8 | ||||
| 25 | G | 53.7 | Low | 60.5 | Low | 55 Ų | 55 | 131.4 Ų | 131.4 | 57% | 0.567 | 72% | 0.718 | S | S | * | * | cis | 110 | 48.6 | 19.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 26 | D | 59.6 | Low | 59.7 | Low | 162 Ų | 162 | 128.7 Ų | 128.7 | 87% | 0.866 | 71% | 0.713 | S | S | * | * | trans | 53 | 75.5 | 171.5 | -59.6 | -41.6 | 0 | 0 | 0 | 116.8 | ||||
| 27 | D | 57.2 | Low | 59 | Low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | -129.5 | 104.6 | 154.9 | -92.2 | -45.4 | 0 | 0 | 0 | 110.9 | D29 | D27-D29 PolarHBondContact O-N 2.98Š| ||
| 28 | D | 58.5 | Low | 58.5 | Low | 170 Ų | 170 | 134.2 Ų | 134.2 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -69.8 | 53.6 | 167.6 | -88.9 | -45 | 0 | 0 | 0 | 110.6 | S30 | D28-S30 PolarHBondContact O-N 3.07Š| ||
| 29 | D | 57.6 | Low | 58.4 | Low | 143 Ų | 143 | 135.3 Ų | 135.3 | 77% | 0.765 | 76% | 0.757 | S | S | * | * | trans | -77.4 | 68.6 | 178.3 | -119.7 | -9.1 | 0 | 0 | 0 | 109.9 | D27 G31 | D27-D29 PolarHBondContact O-N 2.98Å; D29-G31 PolarHBondContact O-N 3.21Å | ||
| 30 | S | 62.9 | Low | 58 | Low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | trans | -39.3 | 109 | 174.4 | 52.8 | 0 | 0 | 0 | 0 | 110.8 | D28 S32 | D28-S30 PolarHBondContact O-N 3.07Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.88Å | ||
| 31 | G | 57.6 | Low | 57.9 | Low | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -57.2 | 91.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112 | D29 W33 | D29-G31 PolarHBondContact O-N 3.21Å; G31-W33 VanDerWaalsContact C-N 3.3Å; G31-W33 VanDerWaalsContact O-CD1 3.29Å; G31-W33 PolarHBondContact O-N 2.85Å | ||
| 32 | S | 66.7 | Low | 58 | Low | 100 Ų | 100 | 132 Ų | 132 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | trans | -70.8 | 90.8 | 177.6 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | S30 R34 | S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 2.88Å; S32-R34 VanDerWaalsContact C-N 3.28Å; S32-R34 PolarHBondContact O-N 3.31Å | ||
| 33 | W | 65.5 | Low | 58.2 | Low | 234 Ų | 234 | 136.1 Ų | 136.1 | 89% | 0.886 | 76% | 0.76 | S | S | * | * | trans | -55.6 | 100.9 | 161.6 | -70.2 | 81.6 | 0 | 0 | 0 | 106.7 | G31 T35 | G31-W33 VanDerWaalsContact C-N 3.3Å; G31-W33 VanDerWaalsContact O-CD1 3.29Å; G31-W33 PolarHBondContact O-N 2.85Å; W33-T35 PolarHBondContact O-N 3Å | ||
| 34 | R | 55.6 | Low | 58.4 | Low | 232 Ų | 232 | 136.6 Ų | 136.6 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | trans | -67.2 | 74.6 | 167.1 | -74.8 | -178.9 | 135.5 | 101.4 | -1.1 | 108.1 | S32 | S32-R34 VanDerWaalsContact C-N 3.28Å; S32-R34 PolarHBondContact O-N 3.31Å | ||
| 35 | T | 58 | Low | 58.7 | Low | 109 Ų | 109 | 131.6 Ų | 131.6 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | -53.5 | 149.3 | 153.4 | 58.8 | 0 | 0 | 0 | 0 | 107.4 | W33 N37 | W33-T35 PolarHBondContact O-N 3Å; T35-N37 PolarHBondContact O-N 3.5Å | ||
| 36 | T | 57.9 | Low | 58.8 | Low | 108 Ų | 108 | 135.7 Ų | 135.7 | 66% | 0.663 | 74% | 0.738 | S | S | * | * | trans | -71.8 | 71.4 | -175.8 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | S38 I39 | T36-S38 PolarHBondContact O-N 2.86Å; T36-I39 PolarHBondContact O-N 3.45Å | ||
| 37 | N | 58.3 | Low | 59.1 | Low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | 57.4 | 177 | -170.8 | 66.1 | 0 | 0 | 0 | 111.1 | T35 | T35-N37 PolarHBondContact O-N 3.5Š|
| 38 | S | 55.3 | Low | 59.1 | Low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -168.7 | 38.4 | 163.8 | -170.9 | 0 | 0 | 0 | 0 | 109.5 | T36 D40 | T36-S38 PolarHBondContact O-N 2.86Å; S38-D40 PolarHBondContact O-N 2.95Å |
| 39 | I | 59.3 | Low | 59.3 | Low | 127 Ų | 127 | 131.3 Ų | 131.3 | 65% | 0.651 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -72.3 | 109.3 | 148 | -66.8 | 169.7 | 0 | 0 | 0 | 103.3 | T36 S41 | T36-I39 PolarHBondContact O-N 3.45Å; I39-S41 PolarHBondContact O-N 3.42Å |
| 40 | D | 52.5 | Low | 59.4 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | trans | -54.1 | 138.3 | 177.1 | -108.3 | -44.9 | 0 | 0 | 0 | 108.7 | S38 E42 | S38-D40 PolarHBondContact O-N 2.95Å; D40-E42 HydrophobicContact CB-CG 4.5Å; D40-E42 PolarHBondContact O-N 3.13Å | ||
| 41 | S | 56.2 | Low | 59.3 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -78.3 | 41.9 | -173.4 | -46.7 | 0 | 0 | 0 | 0 | 111.7 | I39 D43 | I39-S41 PolarHBondContact O-N 3.42Å; S41-D43 PolarHBondContact O-N 3.15Å | ||
| 42 | E | 60.1 | Low | 59.3 | Low | 168 Ų | 168 | 134.8 Ų | 134.8 | 79% | 0.785 | 70% | 0.7 | S | S | * | * | trans | -77.7 | 67.7 | 169.1 | -67 | -178.6 | 142.4 | 0 | 0 | 108.4 | D40 I44 | D40-E42 HydrophobicContact CB-CG 4.5Å; D40-E42 PolarHBondContact O-N 3.13Å; E42-I44 PolarHBondContact O-N 3.48Å; E42-I44 VanDerWaalsContact O-N 3.11Å | ||
| 43 | D | 58.5 | Low | 59 | Low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 70% | 0.697 | S | S | * | * | trans | 23.1 | 77.7 | 152 | -68.2 | -28.5 | 0 | 0 | 0 | 115.5 | S41 N45 | S41-D43 PolarHBondContact O-N 3.15Å; D43-N45 PolarHBondContact O-N 3.22Å | ||
| 44 | I | 61.4 | Low | 58.8 | Low | 140 Ų | 140 | 127.9 Ų | 127.9 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | trans | -70.9 | 81.4 | 152.1 | -53.7 | 174.6 | 0 | 0 | 0 | 105.8 | E42 L46 | E42-I44 PolarHBondContact O-N 3.48Å; E42-I44 VanDerWaalsContact O-N 3.11Å; I44-L46 PolarHBondContact O-N 3.1Å | ||
| 45 | N | 59.9 | Low | 59 | Low | 74 Ų | 74 | 123.2 Ų | 123.2 | 40% | 0.396 | 66% | 0.659 | S | S | . | * | trans | -59.9 | 101.1 | 176.9 | -75.2 | -26 | 0 | 0 | 0 | 108.8 | D43 D47 D48 L49 | D43-N45 PolarHBondContact O-N 3.22Å; N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 VanDerWaalsContact O-N 3.15Å; N45-D48 HydrophobicContact CB-CB 3.77Å; N45-D48 WeakPolarHBondContact CB-OD2 3.36Å; N45-D48 PolarHBondContact ND2-OD2 3.35Å; N45-D48 PolarHBondContact O-N 2.9Å; N45-L49 PolarHBondContact O-N 2.76Å | ||
| 46 | L | 57 | Low | 59 | Low | 142 Ų | 142 | 121.3 Ų | 121.3 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.7 | -19.7 | 172 | -76.1 | 161.3 | 0 | 0 | 0 | 111.8 | I44 | I44-L46 PolarHBondContact O-N 3.1Š|
| 47 | D | 64.3 | Low | 59.1 | Low | 164 Ų | 164 | 121.1 Ų | 121.1 | 88% | 0.877 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -24.1 | 173 | -62.9 | -23.7 | 0 | 0 | 0 | 113.4 | N45 | N45-D47 PolarHBondContact O-N 3.21Å; N45-D47 VanDerWaalsContact O-N 3.15Å |
| 48 | D | 57.8 | Low | 58.9 | Low | 118 Ų | 118 | 121.5 Ų | 121.5 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -5.4 | 174.3 | -68.1 | -32.6 | 0 | 0 | 0 | 112 | N45 D50 | N45-D48 HydrophobicContact CB-CB 3.77Å; N45-D48 WeakPolarHBondContact CB-OD2 3.36Å; N45-D48 PolarHBondContact ND2-OD2 3.35Å; N45-D48 PolarHBondContact O-N 2.9Å; D48-D50 PolarHBondContact O-N 2.79Å |
| 49 | L | 62.2 | Low | 58.7 | Low | 106 Ų | 106 | 121.4 Ų | 121.4 | 56% | 0.555 | 63% | 0.633 | S | S | * | * | trans | -81.4 | 71.7 | -178.4 | -154.9 | 125.2 | 0 | 0 | 0 | 110.3 | N45 E51 | N45-L49 PolarHBondContact O-N 2.76Å; L49-E51 PolarHBondContact O-N 2.88Å | ||
| 50 | D | 59.9 | Low | 58.1 | Low | 118 Ų | 118 | 122.3 Ų | 122.3 | 63% | 0.631 | 64% | 0.635 | S | S | * | * | trans | -55.2 | 118.6 | -174.4 | -133.9 | -14.6 | 0 | 0 | 0 | 110.5 | D48 E52 E53 A54 | D48-D50 PolarHBondContact O-N 2.79Å; D50-E52 PolarHBondContact O-N 2.64Å; D50-E53 PolarHBondContact O-N 2.8Å; D50-A54 PolarHBondContact O-N 3.33Å | ||
| 51 | E | 61.2 | Low | 57.9 | Low | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -59.8 | -21.9 | -172 | -159.1 | -165.3 | 140 | 0 | 0 | 112.1 | L49 R55 | L49-E51 PolarHBondContact O-N 2.88Å; E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.24Å; E51-R55 IonicContact OE1-CZ 3.8Å; E51-R55 IonicContact OE1-NE 2.68Å; E51-R55 IonicContact OE1-NH2 3.05Å; E51-R55 PolarHBondContact OE1-NH2 2.74Å |
| 52 | E | 57.5 | Low | 57.4 | Low | 139 Ų | 139 | 120.6 Ų | 120.6 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.1 | -34.4 | 176.5 | -157 | 130.8 | -130.1 | 0 | 0 | 112.4 | D50 R55 V56 | D50-E52 PolarHBondContact O-N 2.64Å; E52-R55 PolarHBondContact O-N 3.22Å; E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 2.64Å |
| 53 | E | 61.3 | Low | 56.8 | Low | 134 Ų | 134 | 119.4 Ų | 119.4 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -70.3 | -39.7 | 176.4 | -173.4 | 169 | -167.7 | 0 | 0 | 111.5 | D50 R55 V56 V57 | D50-E53 PolarHBondContact O-N 2.8Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.27Å; E53-V56 PolarHBondContact O-N 3.34Å; E53-V57 PolarHBondContact O-N 3.49Å |
| 54 | A | 60.1 | Low | 56.3 | Low | 54 Ų | 54 | 121.7 Ų | 121.7 | 45% | 0.446 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -57.4 | -40.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D50 E58 | D50-A54 PolarHBondContact O-N 3.33Å; A54-E58 PolarHBondContact O-N 2.95Å |
| 55 | R | 60.3 | Low | 55.6 | Low | 135 Ų | 135 | 126 Ų | 126 | 51% | 0.509 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.9 | -29.2 | 174.1 | -65.2 | 177.5 | -163.8 | 173.1 | 4.7 | 113 | E51 E52 E53 N59 | E51-R55 WeakPolarHBondContact O-CG 3.47Å; E51-R55 PolarHBondContact O-N 3.24Å; E51-R55 IonicContact OE1-CZ 3.8Å; E51-R55 IonicContact OE1-NE 2.68Å; E51-R55 IonicContact OE1-NH2 3.05Å; E51-R55 PolarHBondContact OE1-NH2 2.74Å; E52-R55 PolarHBondContact O-N 3.22Å; E53-R55 VanDerWaalsContact C-N 3.27Å; E53-R55 PolarHBondContact O-N 3.27Å; R55-N59 PolarHBondContact O-N 3.05Å; R55-N59 PolarHBondContact O-ND2 2.74Å |
| 56 | V | 57.3 | Low | 55.1 | Low | 68 Ų | 68 | 128.9 Ų | 128.9 | 41% | 0.412 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.8 | -42 | 175 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | E52 E53 E58 N59 E60 | E52-V56 WeakPolarHBondContact O-CG2 3.44Å; E52-V56 PolarHBondContact O-N 2.64Å; E53-V56 PolarHBondContact O-N 3.34Å; V56-E58 VanDerWaalsContact C-N 3.32Å; V56-E58 PolarHBondContact O-N 2.84Å; V56-N59 CarbonylContact O-C 3.56Å; V56-N59 PolarHBondContact O-N 3.01Å; V56-E60 HydrophobicContact CG1-CG 4.02Å; V56-E60 PolarHBondContact O-N 3.42Å |
| 57 | V | 60.2 | Low | 54.7 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -62.1 | -36.2 | 178.2 | 174.9 | 0 | 0 | 0 | 0 | 112.2 | E53 N59 | E53-V57 PolarHBondContact O-N 3.49Å; V57-N59 VanDerWaalsContact C-N 3.35Å |
| 58 | E | 53.7 | Low | 54.4 | Low | 165 Ų | 165 | 128.8 Ų | 128.8 | 77% | 0.771 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.2 | -26.7 | 171.6 | -75.4 | -160.7 | 134.6 | 0 | 0 | 113.8 | A54 V56 | A54-E58 PolarHBondContact O-N 2.95Å; V56-E58 VanDerWaalsContact C-N 3.32Å; V56-E58 PolarHBondContact O-N 2.84Å |
| 59 | N | 52.4 | Low | 53.9 | Low | 101 Ų | 101 | 129.6 Ų | 129.6 | 54% | 0.54 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -96 | -26 | -176.5 | -79.6 | -72.8 | 0 | 0 | 0 | 114.8 | R55 V56 V57 G61 N62 | R55-N59 PolarHBondContact O-N 3.05Å; R55-N59 PolarHBondContact O-ND2 2.74Å; V56-N59 CarbonylContact O-C 3.56Å; V56-N59 PolarHBondContact O-N 3.01Å; V57-N59 VanDerWaalsContact C-N 3.35Å; N59-G61 PolarHBondContact O-N 3.17Å; N59-N62 PolarHBondContact O-N 3.48Å |
| 60 | E | 46.3 | Very low | 53.6 | Low | 145 Ų | 145 | 128.4 Ų | 128.4 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -67.3 | -21.7 | 179.8 | -93.7 | -166 | 147.5 | 0 | 0 | 113.3 | V56 N62 | V56-E60 HydrophobicContact CG1-CG 4.02Å; V56-E60 PolarHBondContact O-N 3.42Å; E60-N62 VanDerWaalsContact C-N 3.3Å |
| 61 | G | 48.5 | Very low | 53.4 | Low | 77 Ų | 77 | 128.4 Ų | 128.4 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -11.6 | 169 | 0 | 0 | 0 | 0 | 0 | 115.1 | N59 | N59-G61 PolarHBondContact O-N 3.17Š|
| 62 | N | 46.1 | Very low | 53.2 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 65% | 0.652 | 68% | 0.678 | S | S | * | * | trans | -135 | 36.8 | -164.9 | -157.6 | 22.6 | 0 | 0 | 0 | 114.4 | N59 E60 E64 | N59-N62 PolarHBondContact O-N 3.48Å; E60-N62 VanDerWaalsContact C-N 3.3Å; N62-E64 PolarHBondContact O-N 3.03Å | ||
| 63 | N | 46 | Very low | 53.2 | Low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | -73.4 | 40.5 | 178.8 | -109.3 | -37.8 | 0 | 0 | 0 | 114.4 | ||||
| 64 | E | 48.8 | Very low | 52.9 | Low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -120.4 | 61.6 | 177.1 | -74 | -158.8 | 141.6 | 0 | 0 | 113.8 | N62 | N62-E64 PolarHBondContact O-N 3.03Š|
| 65 | R | 47.6 | Very low | 52.7 | Low | 231 Ų | 231 | 126.8 Ų | 126.8 | 87% | 0.872 | 68% | 0.678 | S | S | * | * | trans | 66.4 | 149.7 | 164 | -66.6 | 174.5 | 157 | -169.5 | -5.9 | 117.4 | A67 | R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.84Å | ||
| 66 | P | 48.2 | Very low | 52.3 | Low | 135 Ų | 135 | 122.6 Ų | 122.6 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | trans | -69.6 | 89 | 160.9 | 30.8 | -33.2 | 0 | 0 | 0 | 109.4 | ||||
| 67 | A | 49.4 | Very low | 52.3 | Low | 83 Ų | 83 | 121.5 Ų | 121.5 | 69% | 0.686 | 67% | 0.671 | S | S | * | * | trans | -63 | 140.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | R65 | R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 2.84Å | ||
| 68 | R | 56.8 | Low | 52.2 | Low | 221 Ų | 221 | 119.2 Ų | 119.2 | 83% | 0.834 | 66% | 0.663 | S | S | * | * | trans | -55.3 | 157.9 | 178.9 | -65.5 | 170.9 | 179.4 | -176.3 | -3 | 110.6 | V70 | R68-V70 WeakPolarHBondContact O-CG2 3.22Å; R68-V70 PolarHBondContact O-N 3.5Å | ||
| 69 | P | 48.5 | Very low | 52.4 | Low | 135 Ų | 135 | 113.8 Ų | 113.8 | 88% | 0.877 | 65% | 0.646 | S | S | * | * | trans | -52.7 | 112 | 170.8 | 23.8 | -34.5 | 0 | 0 | 0 | 109 | ||||
| 70 | V | 56.1 | Low | 52.6 | Low | 81 Ų | 81 | 117.8 Ų | 117.8 | 49% | 0.491 | 65% | 0.654 | S | S | . | * | trans | -88 | 130.8 | 178.1 | -138.9 | 0 | 0 | 0 | 0 | 106.8 | R68 E74 | R68-V70 WeakPolarHBondContact O-CG2 3.22Å; R68-V70 PolarHBondContact O-N 3.5Å; V70-E74 HydrophobicContact CG1-CB 3.99Å; V70-E74 HydrophobicContact CG1-CG 4.11Å; V70-E74 WeakPolarHBondContact CG1-OE2 3.46Å | ||
| 71 | D | 55.4 | Low | 53.2 | Low | 118 Ų | 118 | 120.3 Ų | 120.3 | 63% | 0.631 | 66% | 0.657 | S | S | * | * | trans | -55.7 | 141.5 | 177.4 | -72.2 | -51.4 | 0 | 0 | 0 | 110 | I73 E74 A75 | D71-I73 PolarHBondContact O-N 2.88Å; D71-E74 PolarHBondContact O-N 3.3Å; D71-A75 PolarHBondContact O-N 2.84Å; D71-A75 VanDerWaalsContact O-N 3.15Å | ||
| 72 | P | 56.8 | Low | 53.7 | Low | 103 Ų | 103 | 119.8 Ų | 119.8 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.2 | -25.2 | -171.3 | 21.9 | -33.6 | 0 | 0 | 0 | 113.2 | A76 | P72-A76 WeakPolarHBondContact O-CB 3.1Å; P72-A76 PolarHBondContact O-N 3.43Å |
| 73 | I | 56.6 | Low | 54.3 | Low | 144 Ų | 144 | 120 Ų | 120 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -64.4 | -40.9 | 174.3 | -58.9 | 171 | 0 | 0 | 0 | 111.3 | D71 A77 | D71-I73 PolarHBondContact O-N 2.88Å; I73-A77 PolarHBondContact O-N 3.16Å; I73-A77 VanDerWaalsContact O-N 3.12Å |
| 74 | E | 54.9 | Low | 55 | Low | 126 Ų | 126 | 119.2 Ų | 119.2 | 59% | 0.589 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -79.4 | -34.7 | -178.9 | -162.7 | 168.4 | -145.5 | 0 | 0 | 111.3 | V70 D71 A77 A78 | V70-E74 HydrophobicContact CG1-CB 3.99Å; V70-E74 HydrophobicContact CG1-CG 4.11Å; V70-E74 WeakPolarHBondContact CG1-OE2 3.46Å; D71-E74 PolarHBondContact O-N 3.3Å; E74-A77 PolarHBondContact O-N 2.92Å; E74-A78 PolarHBondContact O-N 2.82Å |
| 75 | A | 56.8 | Low | 55.4 | Low | 49 Ų | 49 | 112.9 Ų | 112.9 | 41% | 0.405 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.4 | -45.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D71 A77 A78 A79 | D71-A75 PolarHBondContact O-N 2.84Å; D71-A75 VanDerWaalsContact O-N 3.15Å; A75-A77 VanDerWaalsContact C-N 3.32Å; A75-A77 PolarHBondContact O-N 3.15Å; A75-A78 PolarHBondContact O-N 2.88Å; A75-A79 PolarHBondContact O-N 3.24Å |
| 76 | A | 51.8 | Low | 55.8 | Low | 47 Ų | 47 | 110.8 Ų | 110.8 | 39% | 0.388 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63 | -36.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P72 R80 | P72-A76 WeakPolarHBondContact O-CB 3.1Å; P72-A76 PolarHBondContact O-N 3.43Å; A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 VanDerWaalsContact O-CG 3.26Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.08Å |
| 77 | A | 57.3 | Low | 56.3 | Low | 45 Ų | 45 | 106 Ų | 106 | 37% | 0.372 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.6 | -38.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I73 E74 A75 R81 | I73-A77 PolarHBondContact O-N 3.16Å; I73-A77 VanDerWaalsContact O-N 3.12Å; E74-A77 PolarHBondContact O-N 2.92Å; A75-A77 VanDerWaalsContact C-N 3.32Å; A75-A77 PolarHBondContact O-N 3.15Å; A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 2.98Å; A77-R81 VanDerWaalsContact O-N 3.15Å |
| 78 | A | 59.1 | Low | 56.7 | Low | 57 Ų | 57 | 108.2 Ų | 108.2 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -65.9 | -45.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E74 A75 R80 R81 A82 | E74-A78 PolarHBondContact O-N 2.82Å; A75-A78 PolarHBondContact O-N 2.88Å; A78-R80 PolarHBondContact O-N 3.39Å; A78-R81 PolarHBondContact O-N 3.5Å; A78-R81 VanDerWaalsContact O-N 3.16Å; A78-A82 PolarHBondContact O-N 3.3Å |
| 79 | A | 56.6 | Low | 56.6 | Low | 51 Ų | 51 | 106.7 Ų | 106.7 | 42% | 0.421 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -58.7 | -46 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A75 R81 A82 I83 | A75-A79 PolarHBondContact O-N 3.24Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.2Å; A79-A82 PolarHBondContact O-N 3.21Å; A79-A82 VanDerWaalsContact O-N 3.15Å; A79-I83 WeakPolarHBondContact O-CG1 3.35Å; A79-I83 PolarHBondContact O-N 2.76Å |
| 80 | R | 57.7 | Low | 56.9 | Low | 185 Ų | 185 | 104.9 Ų | 104.9 | 70% | 0.698 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.9 | -40.1 | 175.3 | -72.6 | 171 | -174.3 | -120.3 | 1.3 | 112.3 | A76 A78 L84 | A76-R80 WeakPolarHBondContact O-CB 3.22Å; A76-R80 VanDerWaalsContact O-CG 3.26Å; A76-R80 WeakPolarHBondContact O-CG 3.5Å; A76-R80 PolarHBondContact O-N 2.93Å; A76-R80 VanDerWaalsContact O-N 3.08Å; A78-R80 PolarHBondContact O-N 3.39Å; R80-L84 WeakPolarHBondContact O-CG 3.26Å; R80-L84 PolarHBondContact O-N 3.4Å |
| 81 | R | 59.3 | Low | 57 | Low | 198 Ų | 198 | 107 Ų | 107 | 75% | 0.747 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.8 | -37.8 | 175.3 | -73.9 | 176 | 177.4 | -177.1 | 2 | 112.7 | A77 A78 A79 G85 | A77-R81 WeakPolarHBondContact O-CG 3.49Å; A77-R81 PolarHBondContact O-N 2.98Å; A77-R81 VanDerWaalsContact O-N 3.15Å; A78-R81 PolarHBondContact O-N 3.5Å; A78-R81 VanDerWaalsContact O-N 3.16Å; A79-R81 VanDerWaalsContact C-N 3.31Å; A79-R81 PolarHBondContact O-N 3.2Å; R81-G85 PolarHBondContact O-N 2.97Å |
| 82 | A | 58.3 | Low | 56.8 | Low | 67 Ų | 67 | 111.3 Ų | 111.3 | 55% | 0.554 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A78 A79 G85 R86 | A78-A82 PolarHBondContact O-N 3.3Å; A79-A82 PolarHBondContact O-N 3.21Å; A79-A82 VanDerWaalsContact O-N 3.15Å; A82-G85 PolarHBondContact O-N 2.96Å; A82-R86 PolarHBondContact O-N 2.9Å |
| 83 | I | 58.9 | Low | 56.7 | Low | 125 Ų | 125 | 113.1 Ų | 113.1 | 64% | 0.641 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.7 | -48.6 | 177.3 | -65.8 | 162.9 | 0 | 0 | 0 | 110.8 | A79 G85 R86 G87 | A79-I83 WeakPolarHBondContact O-CG1 3.35Å; A79-I83 PolarHBondContact O-N 2.76Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 3.15Å; I83-R86 PolarHBondContact O-N 2.92Å; I83-G87 PolarHBondContact O-N 2.95Å |
| 84 | L | 60.2 | Low | 56.6 | Low | 128 Ų | 128 | 109.4 Ų | 109.4 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.2 | -36.4 | 176.3 | -74.4 | 164 | 0 | 0 | 0 | 112.6 | R80 | R80-L84 WeakPolarHBondContact O-CG 3.26Å; R80-L84 PolarHBondContact O-N 3.4Å |
| 85 | G | 57.8 | Low | 56.6 | Low | 41 Ų | 41 | 110.5 Ų | 110.5 | 42% | 0.423 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.2 | -31.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | R81 A82 I83 R89 | R81-G85 PolarHBondContact O-N 2.97Å; A82-G85 PolarHBondContact O-N 2.96Å; I83-G85 VanDerWaalsContact C-N 3.31Å; I83-G85 PolarHBondContact O-N 3.15Å; G85-R89 PolarHBondContact O-N 3.02Å |
| 86 | R | 56.3 | Low | 56.3 | Low | 187 Ų | 187 | 119.7 Ų | 119.7 | 71% | 0.706 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69 | -52 | 178.3 | -169 | 172.6 | 179.7 | 178 | 0 | 111.3 | A82 I83 L88 R89 D90 | A82-R86 PolarHBondContact O-N 2.9Å; I83-R86 PolarHBondContact O-N 2.92Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.26Å; R86-R89 WeakPolarHBondContact O-CB 3.43Å; R86-R89 PolarHBondContact O-N 3.32Å; R86-D90 PolarHBondContact O-N 2.67Å; R86-D90 VanDerWaalsContact O-N 3.15Å |
| 87 | G | 57.8 | Low | 56.2 | Low | 36 Ų | 36 | 120.4 Ų | 120.4 | 37% | 0.371 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -57.7 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I83 R89 L91 | I83-G87 PolarHBondContact O-N 2.95Å; G87-R89 VanDerWaalsContact C-N 3.35Å; G87-R89 PolarHBondContact O-N 3.17Å; G87-L91 WeakPolarHBondContact O-CB 3.04Å; G87-L91 PolarHBondContact O-N 2.95Å; G87-L91 VanDerWaalsContact O-N 3.1Å |
| 88 | L | 57.9 | Low | 55.6 | Low | 128 Ų | 128 | 121.5 Ų | 121.5 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.9 | -27.3 | 175 | -105.4 | 159.1 | 0 | 0 | 0 | 113.8 | R86 R92 | R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.26Å; L88-R92 PolarHBondContact O-N 3.12Å |
| 89 | R | 55.3 | Low | 55.6 | Low | 189 Ų | 189 | 127 Ų | 127 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.6 | -38.6 | 176.9 | -169.3 | 175 | -73.9 | 179.6 | -3.3 | 111 | G85 R86 G87 R92 M93 | G85-R89 PolarHBondContact O-N 3.02Å; R86-R89 WeakPolarHBondContact O-CB 3.43Å; R86-R89 PolarHBondContact O-N 3.32Å; G87-R89 VanDerWaalsContact C-N 3.35Å; G87-R89 PolarHBondContact O-N 3.17Å; R89-R92 PolarHBondContact O-N 3.08Å; R89-M93 WeakPolarHBondContact O-CG 3.31Å; R89-M93 PolarHBondContact O-N 3.25Å; R89-M93 VanDerWaalsContact O-N 3.12Å |
| 90 | D | 54.7 | Low | 55.4 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -69.4 | -43.3 | 177.8 | -60.9 | -34.9 | 0 | 0 | 0 | 111.5 | R86 R92 M93 G94 | R86-D90 PolarHBondContact O-N 2.67Å; R86-D90 VanDerWaalsContact O-N 3.15Å; D90-R92 PolarHBondContact O-N 3.03Å; D90-M93 PolarHBondContact O-N 3.34Å; D90-M93 VanDerWaalsContact O-N 3.14Å; D90-G94 PolarHBondContact O-N 2.9Å |
| 91 | L | 56.8 | Low | 55 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 65% | 0.649 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -54.3 | -34.8 | 168.9 | -90.4 | 158.9 | 0 | 0 | 0 | 113.2 | G87 I95 | G87-L91 WeakPolarHBondContact O-CB 3.04Å; G87-L91 PolarHBondContact O-N 2.95Å; G87-L91 VanDerWaalsContact O-N 3.1Å; L91-I95 WeakPolarHBondContact O-CD1 3.46Å |
| 92 | R | 52.9 | Low | 54.9 | Low | 210 Ų | 210 | 140 Ų | 140 | 79% | 0.792 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -78.5 | -30 | 179.8 | -160.8 | 178.7 | -164.5 | -161.8 | 5.7 | 113.2 | L88 R89 D90 | L88-R92 PolarHBondContact O-N 3.12Å; R89-R92 PolarHBondContact O-N 3.08Å; D90-R92 PolarHBondContact O-N 3.03Å |
| 93 | M | 53.5 | Low | 54.8 | Low | 141 Ų | 141 | 144 Ų | 144 | 70% | 0.695 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -80.7 | -32.6 | 178.5 | -70 | -67.4 | -80.3 | 0 | 0 | 112.3 | R89 D90 I95 R96 | R89-M93 WeakPolarHBondContact O-CG 3.31Å; R89-M93 PolarHBondContact O-N 3.25Å; R89-M93 VanDerWaalsContact O-N 3.12Å; D90-M93 PolarHBondContact O-N 3.34Å; D90-M93 VanDerWaalsContact O-N 3.14Å; M93-I95 PolarHBondContact O-N 3.03Å; M93-R96 PolarHBondContact O-N 3.06Å |
| 94 | G | 54.4 | Low | 54.3 | Low | 65 Ų | 65 | 141.8 Ų | 141.8 | 67% | 0.67 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -60.9 | -26.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | D90 | D90-G94 PolarHBondContact O-N 2.9Å |
| 95 | I | 54.8 | Low | 54 | Low | 150 Ų | 150 | 137.6 Ų | 137.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -15.4 | -172.9 | -62.8 | 170.9 | 0 | 0 | 0 | 113.1 | L91 M93 | L91-I95 WeakPolarHBondContact O-CD1 3.46Å; M93-I95 PolarHBondContact O-N 3.03Å |
| 96 | R | 51.6 | Low | 53.8 | Low | 242 Ų | 242 | 138.1 Ų | 138.1 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 10.8 | -173.8 | -148.5 | 173.6 | -175 | 158.9 | 2.4 | 114.5 | M93 | M93-R96 PolarHBondContact O-N 3.06Š|
| 97 | G | 49 | Very low | 53.9 | Low | 61 Ų | 61 | 134.9 Ų | 134.9 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -109.3 | 7.2 | -158.4 | 0 | 0 | 0 | 0 | 0 | 119 | ||
| 98 | G | 45.6 | Very low | 54 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | trans | 77.3 | 140.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | R100 | G98-R100 PolarHBondContact O-N 3.15Š| ||
| 99 | N | 58 | Low | 54.5 | Low | 174 Ų | 174 | 139.4 Ų | 139.4 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | trans | -42.7 | 107.2 | 173.2 | -70.8 | -9.2 | 0 | 0 | 0 | 114 | ||||
| 100 | R | 53.1 | Low | 55.2 | Low | 226 Ų | 226 | 133 Ų | 133 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | trans | -135 | 109 | 155.1 | -69.1 | -169.4 | -165.5 | 172.5 | 9.1 | 111.9 | G98 | G98-R100 PolarHBondContact O-N 3.15Š| ||
| 101 | R | 48.2 | Very low | 56.1 | Low | 232 Ų | 232 | 134.3 Ų | 134.3 | 88% | 0.875 | 71% | 0.707 | S | S | * | * | trans | 72.5 | 102.9 | 144.8 | -58.8 | 175.2 | -176 | -126.3 | -2.2 | 116.4 | N103 | R101-N103 PolarHBondContact O-N 2.9Š| ||
| 102 | R | 57.5 | Low | 56.8 | Low | 247 Ų | 247 | 134.5 Ų | 134.5 | 93% | 0.932 | 71% | 0.706 | S | S | * | * | trans | -37.6 | 115.1 | 148.8 | -62.4 | 166.3 | 177.3 | 165 | -3.4 | 109.8 | ||||
| 103 | N | 55.7 | Low | 58 | Low | 152 Ų | 152 | 129.8 Ų | 129.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | 179.2 | 45.9 | 154.2 | -93.9 | 9 | 0 | 0 | 0 | 108.8 | R101 G105 | R101-N103 PolarHBondContact O-N 2.9Å; N103-G105 PolarHBondContact O-N 3.31Å | ||
| 104 | G | 49.9 | Very low | 59.4 | Low | 79 Ų | 79 | 128.3 Ų | 128.3 | 81% | 0.814 | 69% | 0.691 | S | S | * | * | trans | -88.5 | 94.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 105 | G | 53.6 | Low | 60.7 | Low | 40 Ų | 40 | 127.6 Ų | 127.6 | 41% | 0.412 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -173.8 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N103 | N103-G105 PolarHBondContact O-N 3.31Š|
| 106 | G | 53.7 | Low | 61.9 | Low | 52 Ų | 52 | 128.2 Ų | 128.2 | 54% | 0.536 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -72.3 | -30.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A110 | G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.01Å |
| 107 | L | 57.7 | Low | 63.5 | Low | 118 Ų | 118 | 118.6 Ų | 118.6 | 62% | 0.618 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.9 | -45.7 | 179.2 | -74.6 | 166.7 | 0 | 0 | 0 | 112.1 | Q109 A110 E111 | L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.12Å; L107-A110 PolarHBondContact O-N 3.29Å; L107-E111 WeakPolarHBondContact O-CB 3.35Å; L107-E111 VanDerWaalsContact O-CG 3.29Å; L107-E111 WeakPolarHBondContact O-CG 3.41Å; L107-E111 PolarHBondContact O-N 3.5Å |
| 108 | E | 60.6 | Low | 65.1 | Low | 132 Ų | 132 | 120 Ų | 120 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -61.7 | -36.6 | 175.9 | -70.6 | -179.1 | 150.1 | 0 | 0 | 112 | E111 M112 | E108-E111 PolarHBondContact O-N 2.98Å; E108-M112 WeakPolarHBondContact O-CB 3.47Å; E108-M112 WeakPolarHBondContact O-CE 3.37Å; E108-M112 WeakPolarHBondContact O-CG 3.39Å; E108-M112 PolarHBondContact O-N 3.39Å |
| 109 | Q | 67.3 | Low | 66.9 | Low | 127 Ų | 127 | 123.2 Ų | 123.2 | 59% | 0.593 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.1 | -40.6 | 176.5 | -165.1 | 174.4 | 24.8 | 0 | 0 | 112.3 | L107 M112 L113 | L107-Q109 VanDerWaalsContact C-N 3.29Å; L107-Q109 PolarHBondContact O-N 3.12Å; Q109-M112 PolarHBondContact O-N 2.98Å; Q109-L113 HydrophobicContact CG-CD1 4.43Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.21Å |
| 110 | A | 70.3 | Confident | 68.3 | Low | 55 Ų | 55 | 120.9 Ų | 120.9 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.2 | -39.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | G106 L107 L113 N114 | G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.01Å; L107-A110 PolarHBondContact O-N 3.29Å; A110-L113 PolarHBondContact O-N 3.3Å; A110-N114 WeakPolarHBondContact O-CB 3.23Å; A110-N114 PolarHBondContact O-N 3.28Å |
| 111 | E | 74.8 | Confident | 70 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.7 | -41.2 | 175.1 | -74.8 | 170 | -157.8 | 0 | 0 | 111.8 | L107 E108 N114 A115 | L107-E111 WeakPolarHBondContact O-CB 3.35Å; L107-E111 VanDerWaalsContact O-CG 3.29Å; L107-E111 WeakPolarHBondContact O-CG 3.41Å; L107-E111 PolarHBondContact O-N 3.5Å; E108-E111 PolarHBondContact O-N 2.98Å; E111-N114 PolarHBondContact O-N 3.17Å; E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.5Å; E111-A115 PolarHBondContact O-N 2.91Å |
| 112 | M | 70.8 | Confident | 71.9 | Confident | 128 Ų | 128 | 110.6 Ų | 110.6 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.1 | -41.7 | 173.5 | -78.4 | -173 | -76.1 | 0 | 0 | 112.9 | E108 Q109 A115 R116 | E108-M112 WeakPolarHBondContact O-CB 3.47Å; E108-M112 WeakPolarHBondContact O-CE 3.37Å; E108-M112 WeakPolarHBondContact O-CG 3.39Å; E108-M112 PolarHBondContact O-N 3.39Å; Q109-M112 PolarHBondContact O-N 2.98Å; M112-A115 PolarHBondContact O-N 2.97Å; M112-R116 WeakPolarHBondContact O-CB 3.41Å; M112-R116 PolarHBondContact O-N 3.01Å |
| 113 | L | 78.3 | Confident | 73.5 | Confident | 111 Ų | 111 | 102.3 Ų | 102.3 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.6 | -39.8 | 175.8 | -71.9 | 170.9 | 0 | 0 | 0 | 111.5 | Q109 A110 R116 A117 | Q109-L113 HydrophobicContact CG-CD1 4.43Å; Q109-L113 WeakPolarHBondContact O-CB 3.48Å; Q109-L113 VanDerWaalsContact O-CG 3.31Å; Q109-L113 WeakPolarHBondContact O-CG 3.4Å; Q109-L113 PolarHBondContact O-N 3.21Å; A110-L113 PolarHBondContact O-N 3.3Å; L113-R116 PolarHBondContact O-N 2.8Å; L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.03Å |
| 114 | N | 81.8 | Confident | 75.1 | Confident | 110 Ų | 110 | 101.5 Ų | 101.5 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.3 | -41.2 | 176.2 | -168.2 | 25.3 | 0 | 0 | 0 | 111.8 | A110 E111 R116 A117 E118 | A110-N114 WeakPolarHBondContact O-CB 3.23Å; A110-N114 PolarHBondContact O-N 3.28Å; E111-N114 PolarHBondContact O-N 3.17Å; N114-R116 PolarHBondContact O-N 3.31Å; N114-A117 PolarHBondContact O-N 3.19Å; N114-E118 WeakPolarHBondContact O-CB 3.37Å; N114-E118 PolarHBondContact O-N 3.47Å |
| 115 | A | 81.5 | Confident | 77 | Confident | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E111 M112 A117 E118 E119 | E111-A115 VanDerWaalsContact O-CB 3.31Å; E111-A115 WeakPolarHBondContact O-CB 3.5Å; E111-A115 PolarHBondContact O-N 2.91Å; M112-A115 PolarHBondContact O-N 2.97Å; A115-A117 PolarHBondContact O-N 3.47Å; A115-E118 PolarHBondContact O-N 3.26Å; A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 2.97Å |
| 116 | R | 80.8 | Confident | 78.6 | Confident | 163 Ų | 163 | 106.4 Ų | 106.4 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 176.2 | -171.9 | 176.9 | -176.8 | 178.2 | 0.5 | 112.9 | M112 L113 N114 Q120 | M112-R116 WeakPolarHBondContact O-CB 3.41Å; M112-R116 PolarHBondContact O-N 3.01Å; L113-R116 PolarHBondContact O-N 2.8Å; N114-R116 PolarHBondContact O-N 3.31Å; R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.37Å; R116-Q120 VanDerWaalsContact O-N 3.12Å |
| 117 | A | 85.9 | Confident | 80.2 | Confident | 40 Ų | 40 | 106.6 Ų | 106.6 | 33% | 0.331 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L113 N114 A115 Q120 R121 | L113-A117 WeakPolarHBondContact O-CB 3.43Å; L113-A117 PolarHBondContact O-N 3.03Å; N114-A117 PolarHBondContact O-N 3.19Å; A115-A117 PolarHBondContact O-N 3.47Å; A117-Q120 WeakPolarHBondContact O-CB 3.36Å; A117-Q120 PolarHBondContact O-N 3.45Å; A117-R121 WeakPolarHBondContact O-CG 3.4Å; A117-R121 PolarHBondContact O-N 2.94Å |
| 118 | E | 81.8 | Confident | 81.5 | Confident | 89 Ų | 89 | 105.8 Ų | 105.8 | 42% | 0.416 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69.5 | -37.7 | 176.8 | -167.5 | 64.5 | -173.3 | 0 | 0 | 111.7 | N114 A115 Q120 R121 V122 | N114-E118 WeakPolarHBondContact O-CB 3.37Å; N114-E118 PolarHBondContact O-N 3.47Å; A115-E118 PolarHBondContact O-N 3.26Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 2.8Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 IonicContact OE2-CZ 3.64Å; E118-R121 IonicContact OE2-NH1 3.81Å; E118-R121 PolarHBondContact OE2-NH1 3.43Å; E118-V122 WeakPolarHBondContact O-CG2 3.33Å; E118-V122 PolarHBondContact O-N 3.45Å |
| 119 | E | 82.9 | Confident | 82.6 | Confident | 137 Ų | 137 | 103.4 Ų | 103.4 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57 | -42.1 | 169.5 | -77 | 175 | -178.4 | 0 | 0 | 112.1 | A115 V122 S123 | A115-E119 WeakPolarHBondContact O-CG 3.49Å; A115-E119 PolarHBondContact O-N 2.97Å; E119-V122 PolarHBondContact O-N 3.38Å; E119-S123 VanDerWaalsContact O-CB 3.28Å; E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 3.35Å |
| 120 | Q | 88.1 | Confident | 83.2 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 58% | 0.584 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 174.9 | -73.9 | 177.5 | -26.6 | 0 | 0 | 112.3 | R116 A117 E118 S123 F124 | R116-Q120 WeakPolarHBondContact O-CG 3.37Å; R116-Q120 PolarHBondContact O-N 3.37Å; R116-Q120 VanDerWaalsContact O-N 3.12Å; A117-Q120 WeakPolarHBondContact O-CB 3.36Å; A117-Q120 PolarHBondContact O-N 3.45Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 2.8Å; Q120-S123 PolarHBondContact O-N 2.77Å; Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.36Å |
| 121 | R | 88.5 | Confident | 83.4 | Confident | 161 Ų | 161 | 103.5 Ų | 103.5 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.4 | -40.9 | 177 | -68.4 | 174 | 78.2 | -152.5 | 10.1 | 112.2 | A117 E118 F124 M125 | A117-R121 WeakPolarHBondContact O-CG 3.4Å; A117-R121 PolarHBondContact O-N 2.94Å; E118-R121 PolarHBondContact O-N 2.86Å; E118-R121 IonicContact OE2-CZ 3.64Å; E118-R121 IonicContact OE2-NH1 3.81Å; E118-R121 PolarHBondContact OE2-NH1 3.43Å; R121-F124 PolarHBondContact O-N 2.99Å; R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.78Å |
| 122 | V | 88.8 | Confident | 83.4 | Confident | 81 Ų | 81 | 99.6 Ų | 99.6 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -45.3 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | E118 E119 F124 M125 E126 | E118-V122 WeakPolarHBondContact O-CG2 3.33Å; E118-V122 PolarHBondContact O-N 3.45Å; E119-V122 PolarHBondContact O-N 3.38Å; V122-F124 PolarHBondContact O-N 3.06Å; V122-M125 PolarHBondContact O-N 3.43Å; V122-E126 WeakPolarHBondContact O-CB 3.2Å; V122-E126 PolarHBondContact O-N 3.5Å |
| 123 | S | 90.2 | Very high | 83 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 112.3 | E119 Q120 E126 A127 | E119-S123 VanDerWaalsContact O-CB 3.28Å; E119-S123 WeakPolarHBondContact O-CB 3.33Å; E119-S123 PolarHBondContact O-N 3.35Å; Q120-S123 PolarHBondContact O-N 2.77Å; S123-E126 PolarHBondContact O-N 2.85Å; S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 2.94Å |
| 124 | F | 89.2 | Confident | 82.2 | Confident | 135 Ų | 135 | 96.7 Ų | 96.7 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.1 | -42.8 | 175.1 | -179.3 | -105.1 | 0 | 0 | 0 | 112.4 | Q120 R121 V122 A127 L128 | Q120-F124 WeakPolarHBondContact O-CB 3.44Å; Q120-F124 PolarHBondContact O-N 3.36Å; R121-F124 PolarHBondContact O-N 2.99Å; V122-F124 PolarHBondContact O-N 3.06Å; F124-A127 PolarHBondContact O-N 3.46Å; F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CE1-CG 4.14Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.37Å; F124-L128 HydrophobicContact CZ-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.23Å; F124-L128 PolarHBondContact O-N 2.91Å |
| 125 | M | 90.9 | Very high | 81.1 | Confident | 128 Ų | 128 | 98.2 Ų | 98.2 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -36.7 | 173.8 | -68.7 | -130.1 | -62.3 | 0 | 0 | 112.3 | R121 V122 A127 L128 V129 | R121-M125 WeakPolarHBondContact O-CG 3.31Å; R121-M125 PolarHBondContact O-N 2.78Å; V122-M125 PolarHBondContact O-N 3.43Å; M125-A127 VanDerWaalsContact C-N 3.35Å; M125-L128 PolarHBondContact O-N 2.9Å; M125-V129 WeakPolarHBondContact O-CB 3.45Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.36Å; M125-V129 PolarHBondContact O-N 3.16Å |
| 126 | E | 87 | Confident | 79.9 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 44% | 0.444 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 172.9 | -170.7 | -172.1 | 144.4 | 0 | 0 | 111.3 | V122 S123 V129 R130 | V122-E126 WeakPolarHBondContact O-CB 3.2Å; V122-E126 PolarHBondContact O-N 3.5Å; S123-E126 PolarHBondContact O-N 2.85Å; E126-V129 PolarHBondContact O-N 3.45Å; E126-R130 VanDerWaalsContact O-CB 3.23Å; E126-R130 WeakPolarHBondContact O-CB 3.15Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 3.21Å; E126-R130 IonicContact OE1-NH1 2.93Å; E126-R130 PolarHBondContact OE1-NH1 3.18Å; E126-R130 IonicContact OE1-NH2 3.2Å; E126-R130 PolarHBondContact OE1-NH2 2.79Å |
| 127 | A | 87.1 | Confident | 78.5 | Confident | 56 Ų | 56 | 107.6 Ų | 107.6 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S123 F124 M125 R130 G131 | S123-A127 WeakPolarHBondContact O-CB 3.44Å; S123-A127 PolarHBondContact O-N 2.94Å; F124-A127 PolarHBondContact O-N 3.46Å; M125-A127 VanDerWaalsContact C-N 3.35Å; A127-R130 PolarHBondContact O-N 3.08Å; A127-G131 PolarHBondContact O-N 3.4Å |
| 128 | L | 85.7 | Confident | 77 | Confident | 100 Ų | 100 | 113.4 Ų | 113.4 | 52% | 0.524 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.8 | -43.9 | 173.7 | -73.7 | 177.1 | 0 | 0 | 0 | 112.3 | F124 M125 G131 A132 | F124-L128 HydrophobicContact CD1-CD1 3.97Å; F124-L128 HydrophobicContact CE1-CD1 3.46Å; F124-L128 VanDerWaalsContact CE1-CD1 3.46Å; F124-L128 HydrophobicContact CE1-CG 4.14Å; F124-L128 HydrophobicContact CZ-CD1 3.88Å; F124-L128 HydrophobicContact CZ-CD2 4.37Å; F124-L128 HydrophobicContact CZ-CG 4.17Å; F124-L128 WeakPolarHBondContact O-CG 3.23Å; F124-L128 PolarHBondContact O-N 2.91Å; M125-L128 PolarHBondContact O-N 2.9Å; L128-G131 PolarHBondContact O-N 2.93Å; L128-A132 WeakPolarHBondContact O-CB 3.02Å; L128-A132 PolarHBondContact O-N 3.15Å |
| 129 | V | 83.9 | Confident | 75.6 | Confident | 82 Ų | 82 | 117.8 Ų | 117.8 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.2 | -45.2 | 176.9 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | M125 E126 G131 A132 E133 | M125-V129 WeakPolarHBondContact O-CB 3.45Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.36Å; M125-V129 PolarHBondContact O-N 3.16Å; E126-V129 PolarHBondContact O-N 3.45Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.36Å; V129-A132 PolarHBondContact O-N 2.79Å; V129-E133 HydrophobicContact CG1-CG 4.43Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.46Å; V129-E133 PolarHBondContact O-N 3.28Å |
| 130 | R | 79.1 | Confident | 74 | Confident | 152 Ų | 152 | 120.2 Ų | 120.2 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -36.3 | 176.8 | -178.4 | 174.2 | -71.3 | 129.8 | 8.4 | 112.3 | E126 A127 A134 | E126-R130 VanDerWaalsContact O-CB 3.23Å; E126-R130 WeakPolarHBondContact O-CB 3.15Å; E126-R130 PolarHBondContact O-N 3.15Å; E126-R130 IonicContact OE1-CZ 3.21Å; E126-R130 IonicContact OE1-NH1 2.93Å; E126-R130 PolarHBondContact OE1-NH1 3.18Å; E126-R130 IonicContact OE1-NH2 3.2Å; E126-R130 PolarHBondContact OE1-NH2 2.79Å; A127-R130 PolarHBondContact O-N 3.08Å; R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.66Å |
| 131 | G | 74.5 | Confident | 71.8 | Confident | 32 Ų | 32 | 117.3 Ų | 117.3 | 33% | 0.33 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.2 | -49.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A127 L128 V129 E133 A134 E135 | A127-G131 PolarHBondContact O-N 3.4Å; L128-G131 PolarHBondContact O-N 2.93Å; V129-G131 VanDerWaalsContact C-N 3.34Å; V129-G131 PolarHBondContact O-N 3.36Å; G131-E133 VanDerWaalsContact C-N 3.3Å; G131-E133 PolarHBondContact O-N 2.89Å; G131-A134 WeakPolarHBondContact O-CA 3.34Å; G131-A134 WeakPolarHBondContact O-CB 3.28Å; G131-A134 PolarHBondContact O-N 3.15Å; G131-E135 PolarHBondContact O-N 3.07Å |
| 132 | A | 74.2 | Confident | 70 | Confident | 44 Ų | 44 | 113.1 Ų | 113.1 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.1 | -29.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L128 V129 R136 | L128-A132 WeakPolarHBondContact O-CB 3.02Å; L128-A132 PolarHBondContact O-N 3.15Å; V129-A132 PolarHBondContact O-N 2.79Å; A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.04Å; A132-R136 PolarHBondContact O-N 3.43Å |
| 133 | E | 63.1 | Low | 67.9 | Low | 130 Ų | 130 | 117 Ų | 117 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.9 | -29.3 | 170 | -77.1 | -178.8 | 176.8 | 0 | 0 | 112.6 | V129 G131 R137 | V129-E133 HydrophobicContact CG1-CG 4.43Å; V129-E133 WeakPolarHBondContact O-CB 3.26Å; V129-E133 WeakPolarHBondContact O-CG 3.46Å; V129-E133 PolarHBondContact O-N 3.28Å; G131-E133 VanDerWaalsContact C-N 3.3Å; G131-E133 PolarHBondContact O-N 2.89Å; E133-R137 WeakPolarHBondContact O-CB 3.34Å; E133-R137 PolarHBondContact O-N 3.24Å |
| 134 | A | 62.1 | Low | 65.5 | Low | 47 Ų | 47 | 121.2 Ų | 121.2 | 39% | 0.388 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -73.4 | -49.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R130 G131 R136 R137 E138 | R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 2.66Å; G131-A134 WeakPolarHBondContact O-CA 3.34Å; G131-A134 WeakPolarHBondContact O-CB 3.28Å; G131-A134 PolarHBondContact O-N 3.15Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.94Å; A134-R137 WeakPolarHBondContact O-CA 3.5Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 2.83Å; A134-E138 PolarHBondContact O-N 2.86Å; A134-E138 VanDerWaalsContact O-N 3.17Å |
| 135 | E | 58.4 | Low | 63.4 | Low | 142 Ų | 142 | 117.6 Ų | 117.6 | 66% | 0.664 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55.7 | -44 | 174.6 | -72.2 | -179.2 | 145.5 | 0 | 0 | 111.4 | G131 R137 E138 E139 | G131-E135 PolarHBondContact O-N 3.07Å; E135-R137 PolarHBondContact O-N 3.29Å; E135-E138 PolarHBondContact O-N 2.93Å; E135-E139 PolarHBondContact O-N 3.29Å |
| 136 | R | 56.5 | Low | 61.5 | Low | 201 Ų | 201 | 120.2 Ų | 120.2 | 76% | 0.758 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65.9 | -20.7 | 175.1 | -77.6 | -179.2 | 179.7 | -176.9 | 2.5 | 114.6 | A132 A134 | A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 VanDerWaalsContact O-CG 3.28Å; A132-R136 WeakPolarHBondContact O-CG 3.04Å; A132-R136 PolarHBondContact O-N 3.43Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.94Å |
| 137 | R | 50.9 | Low | 59.3 | Low | 211 Ų | 211 | 121.1 Ų | 121.1 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -85 | -21.6 | 177.3 | -164.8 | 176.5 | -173.9 | 116.8 | 5.8 | 112.1 | E133 A134 E135 | E133-R137 WeakPolarHBondContact O-CB 3.34Å; E133-R137 PolarHBondContact O-N 3.24Å; A134-R137 WeakPolarHBondContact O-CA 3.5Å; A134-R137 WeakPolarHBondContact O-CB 3.47Å; A134-R137 PolarHBondContact O-N 2.83Å; E135-R137 PolarHBondContact O-N 3.29Å |
| 138 | E | 53.8 | Low | 57.9 | Low | 161 Ų | 161 | 124.4 Ų | 124.4 | 75% | 0.752 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -84.3 | -27.6 | 176.1 | -67.7 | -178.4 | 175.7 | 0 | 0 | 112.2 | A134 E135 | A134-E138 PolarHBondContact O-N 2.86Å; A134-E138 VanDerWaalsContact O-N 3.17Å; E135-E138 PolarHBondContact O-N 2.93Å |
| 139 | E | 52.1 | Low | 56.1 | Low | 182 Ų | 182 | 124.2 Ų | 124.2 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -16.3 | 175.1 | -72.4 | -161.9 | 144 | 0 | 0 | 115.4 | E135 | E135-E139 PolarHBondContact O-N 3.29Š|
| 140 | E | 49.8 | Very low | 54.4 | Low | 187 Ų | 187 | 124.2 Ų | 124.2 | 87% | 0.874 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 14.2 | 177.4 | -148.8 | 176.8 | -164.4 | 0 | 0 | 113.1 | ||
| 141 | G | 42.3 | Very low | 53.1 | Low | 65 Ų | 65 | 123.2 Ų | 123.2 | 67% | 0.67 | 71% | 0.706 | S | S | * | * | trans | -108 | 49.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 142 | G | 49.8 | Very low | 52.2 | Low | 72 Ų | 72 | 126.3 Ų | 126.3 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | -78.4 | 135.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 143 | D | 46 | Very low | 51.2 | Low | 163 Ų | 163 | 128 Ų | 128 | 87% | 0.872 | 73% | 0.731 | S | S | * | * | trans | 76.2 | 86.7 | 161.6 | -162.8 | 43.3 | 0 | 0 | 0 | 118.8 | ||||
| 144 | D | 40.3 | Very low | 50.7 | Low | 161 Ų | 161 | 126 Ų | 126 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | -162.2 | 151.5 | 121.2 | 68.3 | -35.3 | 0 | 0 | 0 | 114.2 | |||||
| 145 | G | 44.8 | Very low | 50.5 | Low | 58 Ų | 58 | 128.1 Ų | 128.1 | 60% | 0.598 | 73% | 0.733 | S | S | * | * | trans | 98.2 | 85.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | S147 | G145-S147 PolarHBondContact O-N 3.33Š| ||
| 146 | E | 50.2 | Low | 50.2 | Low | 184 Ų | 184 | 126.7 Ų | 126.7 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -38.9 | 131.3 | 162.7 | 47.7 | -109.1 | 73.9 | 0 | 0 | 116.1 | ||||
| 147 | S | 40.9 | Very low | 50.2 | Low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 72% | 0.722 | S | S | * | * | trans | -139.1 | 89 | 162.4 | -77.6 | 0 | 0 | 0 | 0 | 111.4 | G145 S149 | G145-S147 PolarHBondContact O-N 3.33Å; S147-S149 PolarHBondContact O-N 3.47Å | ||
| 148 | S | 56.7 | Low | 50.3 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | trans | -85.1 | 91.4 | 171.7 | 59.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 149 | S | 48.9 | Very low | 50.2 | Low | 96 Ų | 96 | 118.7 Ų | 118.7 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | trans | -150.5 | 129.7 | 166.6 | 54 | 0 | 0 | 0 | 0 | 113.4 | S147 | S147-S149 PolarHBondContact O-N 3.47Š| ||
| 150 | S | 48.8 | Very low | 50.4 | Low | 82 Ų | 82 | 113.9 Ų | 113.9 | 57% | 0.573 | 69% | 0.691 | S | S | * | * | trans | 56.3 | 53.1 | 151 | 56.4 | 0 | 0 | 0 | 0 | 119.9 | S152 | S150-S152 PolarHBondContact O-N 2.88Š| ||
| 151 | S | 52.1 | Low | 50.6 | Low | 131 Ų | 131 | 109.7 Ų | 109.7 | 92% | 0.916 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 58.5 | 161.1 | 179.6 | 0 | 0 | 0 | 0 | 112.5 | ||
| 152 | S | 54.8 | Low | 51.1 | Low | 97 Ų | 97 | 112.6 Ų | 112.6 | 68% | 0.678 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.8 | 23.3 | 171.4 | 80.5 | 0 | 0 | 0 | 0 | 115.2 | S150 | S150-S152 PolarHBondContact O-N 2.88Š|
| 153 | S | 53.6 | Low | 51.4 | Low | 78 Ų | 78 | 115.9 Ų | 115.9 | 55% | 0.545 | 66% | 0.664 | S | S | . | * | S | Bend | trans | -127.3 | -14.4 | -176.2 | -161.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 154 | D | 52.8 | Low | 51.8 | Low | 89 Ų | 89 | 114.6 Ų | 114.6 | 48% | 0.476 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -86.7 | -22 | -175.9 | -44.6 | -87.6 | 0 | 0 | 0 | 112.8 | D156 E157 Y158 | D154-D156 VanDerWaalsContact C-N 3.31Å; D154-D156 PolarHBondContact O-N 2.92Å; D154-E157 PolarHBondContact O-N 3.25Å; D154-Y158 HydrophobicContact CB-CE2 4.1Å; D154-Y158 WeakPolarHBondContact O-CD2 3.36Å; D154-Y158 PolarHBondContact O-N 3.12Å |
| 155 | T | 56 | Low | 52.5 | Low | 92 Ų | 92 | 112 Ų | 112 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -67.8 | -26.9 | -174.5 | 47 | 0 | 0 | 0 | 0 | 114.5 | Q159 | T155-Q159 WeakPolarHBondContact O-CG 3.4Å |
| 156 | D | 54.1 | Low | 53.1 | Low | 111 Ų | 111 | 114 Ų | 114 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.4 | -23.9 | 179.2 | -59.7 | -33.2 | 0 | 0 | 0 | 111.6 | D154 S160 | D154-D156 VanDerWaalsContact C-N 3.31Å; D154-D156 PolarHBondContact O-N 2.92Å; D156-S160 PolarHBondContact O-N 3.38Å |
| 157 | E | 54.6 | Low | 53.5 | Low | 129 Ų | 129 | 108.6 Ų | 108.6 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.2 | -47.3 | 177.2 | -165.6 | 156.7 | -150.4 | 0 | 0 | 110.3 | D154 Q159 S160 E161 | D154-E157 PolarHBondContact O-N 3.25Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.01Å; E157-S160 PolarHBondContact O-N 2.94Å; E157-S160 VanDerWaalsContact O-N 3.13Å; E157-E161 PolarHBondContact O-N 3.31Å |
| 158 | Y | 53 | Low | 54.3 | Low | 151 Ų | 151 | 107 Ų | 107 | 59% | 0.592 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.2 | -37.8 | 173.4 | -67.7 | -62.8 | 0 | 0 | 0 | 113.5 | D154 E161 E162 | D154-Y158 HydrophobicContact CB-CE2 4.1Å; D154-Y158 WeakPolarHBondContact O-CD2 3.36Å; D154-Y158 PolarHBondContact O-N 3.12Å; Y158-E161 PolarHBondContact O-N 2.82Å; Y158-E162 WeakPolarHBondContact O-CG 3.45Å; Y158-E162 PolarHBondContact O-N 3.25Å |
| 159 | Q | 52.5 | Low | 54.4 | Low | 126 Ų | 126 | 103.4 Ų | 103.4 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 176.6 | -73 | -173.8 | -0.2 | 0 | 0 | 112.2 | T155 E157 E162 E163 | T155-Q159 WeakPolarHBondContact O-CG 3.4Å; E157-Q159 VanDerWaalsContact C-N 3.32Å; E157-Q159 PolarHBondContact O-N 3.01Å; Q159-E162 PolarHBondContact O-N 2.72Å; Q159-E163 PolarHBondContact O-N 2.9Å |
| 160 | S | 57.1 | Low | 55.2 | Low | 80 Ų | 80 | 102.9 Ų | 102.9 | 56% | 0.559 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.8 | -34.1 | 175.6 | -161.6 | 0 | 0 | 0 | 0 | 112.6 | D156 E157 E164 | D156-S160 PolarHBondContact O-N 3.38Å; E157-S160 PolarHBondContact O-N 2.94Å; E157-S160 VanDerWaalsContact O-N 3.13Å; S160-E164 PolarHBondContact O-N 3.43Å |
| 161 | E | 53.4 | Low | 55.9 | Low | 100 Ų | 100 | 101.4 Ų | 101.4 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -69.4 | -40.8 | 174.2 | -70.1 | -174.5 | 163.6 | 0 | 0 | 111.8 | E157 Y158 E163 E164 I165 | E157-E161 PolarHBondContact O-N 3.31Å; Y158-E161 PolarHBondContact O-N 2.82Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E161-E163 PolarHBondContact O-N 2.92Å; E161-E164 PolarHBondContact O-N 3.41Å; E161-I165 VanDerWaalsContact O-CG1 3.28Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.15Å |
| 162 | E | 53 | Low | 56.7 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -34.9 | 176.4 | -76.6 | -173.9 | 179.8 | 0 | 0 | 112.6 | Y158 Q159 N166 | Y158-E162 WeakPolarHBondContact O-CG 3.45Å; Y158-E162 PolarHBondContact O-N 3.25Å; Q159-E162 PolarHBondContact O-N 2.72Å; E162-N166 VanDerWaalsContact O-CB 3.31Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 VanDerWaalsContact O-CG 3.26Å; E162-N166 PolarHBondContact O-N 2.84Å; E162-N166 PolarHBondContact O-ND2 2.83Å |
| 163 | E | 56 | Low | 57.3 | Low | 141 Ų | 141 | 99.1 Ų | 99.1 | 66% | 0.659 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -37.2 | 173.7 | -73.9 | -170.2 | 179.1 | 0 | 0 | 112.7 | Q159 E161 S167 | Q159-E163 PolarHBondContact O-N 2.9Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E161-E163 PolarHBondContact O-N 2.92Å; E163-S167 WeakPolarHBondContact O-CB 3.31Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 VanDerWaalsContact O-N 3.07Å; E163-S167 PolarHBondContact O-OG 2.91Å |
| 164 | E | 54.8 | Low | 58.4 | Low | 136 Ų | 136 | 98.4 Ų | 98.4 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -68.1 | -47.5 | 174.7 | -173.8 | 169.8 | -170.3 | 0 | 0 | 111.3 | S160 E161 N166 S167 V168 | S160-E164 PolarHBondContact O-N 3.43Å; E161-E164 PolarHBondContact O-N 3.41Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.99Å; E164-S167 PolarHBondContact O-N 3.43Å; E164-S167 VanDerWaalsContact O-N 3.15Å; E164-V168 HydrophobicContact CG-CG2 4.39Å; E164-V168 WeakPolarHBondContact O-CG2 3.28Å; E164-V168 PolarHBondContact O-N 2.83Å |
| 165 | I | 55 | Low | 59.5 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 55% | 0.554 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.5 | -41.1 | 179.2 | -64.9 | 163.6 | 0 | 0 | 0 | 110.9 | E161 S169 | E161-I165 VanDerWaalsContact O-CG1 3.28Å; E161-I165 WeakPolarHBondContact O-CG1 3.44Å; E161-I165 PolarHBondContact O-N 3.15Å; I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 2.93Å |
| 166 | N | 57.2 | Low | 60.4 | Low | 98 Ų | 98 | 93.5 Ų | 93.5 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 176.6 | -75.5 | -46.8 | 0 | 0 | 0 | 112.6 | E162 E164 T170 | E162-N166 VanDerWaalsContact O-CB 3.31Å; E162-N166 WeakPolarHBondContact O-CB 3.39Å; E162-N166 VanDerWaalsContact O-CG 3.26Å; E162-N166 PolarHBondContact O-N 2.84Å; E162-N166 PolarHBondContact O-ND2 2.83Å; E164-N166 VanDerWaalsContact C-N 3.33Å; E164-N166 PolarHBondContact O-N 2.99Å; N166-T170 WeakPolarHBondContact O-CB 3.37Å; N166-T170 WeakPolarHBondContact O-CG2 3.31Å; N166-T170 PolarHBondContact O-N 3.18Å; N166-T170 PolarHBondContact O-OG1 2.98Å |
| 167 | S | 57.3 | Low | 61.3 | Low | 72 Ų | 72 | 91 Ų | 91 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | E163 E164 T170 T171 | E163-S167 WeakPolarHBondContact O-CB 3.31Å; E163-S167 PolarHBondContact O-N 3.5Å; E163-S167 VanDerWaalsContact O-N 3.07Å; E163-S167 PolarHBondContact O-OG 2.91Å; E164-S167 PolarHBondContact O-N 3.43Å; E164-S167 VanDerWaalsContact O-N 3.15Å; S167-T170 PolarHBondContact O-OG1 3.43Å; S167-T171 PolarHBondContact O-N 3.49Å; S167-T171 PolarHBondContact O-OG1 3.13Å |
| 168 | V | 58.7 | Low | 62.4 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.5 | -42.9 | 175.9 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | E164 T171 A172 | E164-V168 HydrophobicContact CG-CG2 4.39Å; E164-V168 WeakPolarHBondContact O-CG2 3.28Å; E164-V168 PolarHBondContact O-N 2.83Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.68Å; V168-A172 HydrophobicContact CG1-CB 4.32Å; V168-A172 WeakPolarHBondContact O-CA 3.41Å; V168-A172 WeakPolarHBondContact O-CB 3.37Å; V168-A172 PolarHBondContact O-N 3.42Å |
| 169 | S | 59.6 | Low | 63.4 | Low | 49 Ų | 49 | 82.9 Ų | 82.9 | 34% | 0.343 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 179.8 | -179.1 | 0 | 0 | 0 | 0 | 112.1 | I165 T171 L173 | I165-S169 WeakPolarHBondContact O-CB 3.38Å; I165-S169 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact O-N 3.17Å; S169-L173 WeakPolarHBondContact O-CB 3.23Å; S169-L173 VanDerWaalsContact O-CG 3.23Å; S169-L173 WeakPolarHBondContact O-CG 3.45Å; S169-L173 PolarHBondContact O-N 2.9Å; S169-L173 WeakPolarHBondContact OG-CD1 3.4Å |
| 170 | T | 64.6 | Low | 64.4 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 52% | 0.515 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66 | -36.1 | -179 | 50.8 | 0 | 0 | 0 | 0 | 113.5 | N166 S167 N174 | N166-T170 WeakPolarHBondContact O-CB 3.37Å; N166-T170 WeakPolarHBondContact O-CG2 3.31Å; N166-T170 PolarHBondContact O-N 3.18Å; N166-T170 PolarHBondContact O-OG1 2.98Å; S167-T170 PolarHBondContact O-OG1 3.43Å; T170-N174 VanDerWaalsContact O-CB 3.23Å; T170-N174 WeakPolarHBondContact O-CB 3.48Å |
| 171 | T | 64.4 | Low | 65 | Low | 52 Ų | 52 | 87.2 Ų | 87.2 | 32% | 0.319 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -83.8 | -39.4 | 179.1 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | S167 V168 S169 R178 | S167-T171 PolarHBondContact O-N 3.49Å; S167-T171 PolarHBondContact O-OG1 3.13Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-T171 PolarHBondContact O-OG1 2.68Å; S169-T171 PolarHBondContact O-N 3.17Å; T171-R178 WeakPolarHBondContact O-CG 3.48Å |
| 172 | A | 67.9 | Low | 65.8 | Low | 43 Ų | 43 | 87 Ų | 87 | 36% | 0.355 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.3 | -22.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V168 R178 | V168-A172 HydrophobicContact CG1-CB 4.32Å; V168-A172 WeakPolarHBondContact O-CA 3.41Å; V168-A172 WeakPolarHBondContact O-CB 3.37Å; V168-A172 PolarHBondContact O-N 3.42Å; A172-R178 PolarHBondContact O-NH1 3.38Å |
| 173 | L | 68.7 | Low | 66.4 | Low | 136 Ų | 136 | 90.3 Ų | 90.3 | 71% | 0.712 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -92.4 | -12.2 | 176 | -62.2 | 175.7 | 0 | 0 | 0 | 113.8 | S169 | S169-L173 WeakPolarHBondContact O-CB 3.23Å; S169-L173 VanDerWaalsContact O-CG 3.23Å; S169-L173 WeakPolarHBondContact O-CG 3.45Å; S169-L173 PolarHBondContact O-N 2.9Å; S169-L173 WeakPolarHBondContact OG-CD1 3.4Å |
| 174 | N | 75.7 | Confident | 66.3 | Low | 64 Ų | 64 | 88.7 Ų | 88.7 | 34% | 0.342 | 46% | 0.461 | S | S | . | . | trans | -104.2 | 106.3 | -177.3 | -174.8 | -36 | 0 | 0 | 0 | 111.1 | T170 A176 L177 R178 | T170-N174 VanDerWaalsContact O-CB 3.23Å; T170-N174 WeakPolarHBondContact O-CB 3.48Å; N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.84Å; N174-A176 WeakPolarHBondContact OD1-CB 3.11Å; N174-A176 PolarHBondContact OD1-N 3.04Å; N174-A176 VanDerWaalsContact OD1-N 3.08Å; N174-L177 HydrophobicContact CB-CB 4.06Å; N174-L177 HydrophobicContact CB-CD1 3.94Å; N174-L177 HydrophobicContact CB-CG 4.07Å; N174-L177 PolarHBondContact O-N 3.46Å; N174-L177 VanDerWaalsContact O-N 3.12Å; N174-L177 PolarHBondContact OD1-N 3.38Å; N174-L177 VanDerWaalsContact OD1-N 3.17Å; N174-R178 WeakPolarHBondContact O-CG 3.33Å; N174-R178 PolarHBondContact O-N 3.33Å | ||
| 175 | P | 76 | Confident | 66.3 | Low | 40 Ų | 40 | 89.3 Ų | 89.3 | 26% | 0.26 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.3 | -36.1 | -175.9 | 26.1 | -35.7 | 0 | 0 | 0 | 112.5 | D13 R178 R179 | D13-P175 WeakPolarHBondContact OD1-CA 3.35Å; D13-P175 WeakPolarHBondContact OD1-CB 3.39Å; P175-R178 PolarHBondContact O-N 2.99Å; P175-R179 VanDerWaalsContact O-CB 3.26Å; P175-R179 WeakPolarHBondContact O-CB 3.42Å; P175-R179 VanDerWaalsContact O-CG 3.22Å; P175-R179 WeakPolarHBondContact O-CG 3.38Å; P175-R179 PolarHBondContact O-N 3.33Å |
| 176 | A | 74.6 | Confident | 66.1 | Low | 38 Ų | 38 | 92.5 Ų | 92.5 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N174 R180 | N174-A176 VanDerWaalsContact C-N 3.28Å; N174-A176 PolarHBondContact O-N 2.84Å; N174-A176 WeakPolarHBondContact OD1-CB 3.11Å; N174-A176 PolarHBondContact OD1-N 3.04Å; N174-A176 VanDerWaalsContact OD1-N 3.08Å; A176-R180 WeakPolarHBondContact O-CB 3.48Å; A176-R180 PolarHBondContact O-N 3.31Å |
| 177 | L | 73.3 | Confident | 65.8 | Low | 59 Ų | 59 | 96.6 Ų | 96.6 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -38.1 | 173.8 | -67.6 | 178.4 | 0 | 0 | 0 | 111.9 | N174 R180 N181 | N174-L177 HydrophobicContact CB-CB 4.06Å; N174-L177 HydrophobicContact CB-CD1 3.94Å; N174-L177 HydrophobicContact CB-CG 4.07Å; N174-L177 PolarHBondContact O-N 3.46Å; N174-L177 VanDerWaalsContact O-N 3.12Å; N174-L177 PolarHBondContact OD1-N 3.38Å; N174-L177 VanDerWaalsContact OD1-N 3.17Å; L177-R180 PolarHBondContact O-N 3.2Å; L177-N181 WeakPolarHBondContact O-CB 3.28Å; L177-N181 PolarHBondContact O-N 2.95Å |
| 178 | R | 76.7 | Confident | 64.9 | Low | 61 Ų | 61 | 101.6 Ų | 101.6 | 23% | 0.23 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -59.8 | -52.3 | 169.9 | -60 | -167.9 | -68.2 | -140.4 | 3.5 | 110.7 | D13 T171 A172 N174 P175 R180 N181 R182 | D13-R178 IonicContact OD1-CZ 3.01Å; D13-R178 IonicContact OD1-NE 2.64Å; D13-R178 PolarHBondContact OD1-NE 3.12Å; D13-R178 IonicContact OD1-NH2 3.9Å; D13-R178 PolarHBondContact OD1-NH2 3.14Å; D13-R178 IonicContact OD2-CZ 2.84Å; D13-R178 IonicContact OD2-NE 2.9Å; D13-R178 PolarHBondContact OD2-NE 3.03Å; D13-R178 IonicContact OD2-NH2 3.83Å; T171-R178 WeakPolarHBondContact O-CG 3.48Å; A172-R178 PolarHBondContact O-NH1 3.38Å; N174-R178 WeakPolarHBondContact O-CG 3.33Å; N174-R178 PolarHBondContact O-N 3.33Å; P175-R178 PolarHBondContact O-N 2.99Å; R178-R180 PolarHBondContact O-N 3.26Å; R178-N181 PolarHBondContact O-N 3.27Å; R178-R182 VanDerWaalsContact CB-NH1 3.28Å; R178-R182 WeakPolarHBondContact O-CG 3.38Å; R178-R182 PolarHBondContact O-N 3.18Å; R178-R182 PolarHBondContact O-NH1 3.17Å |
| 179 | R | 74.7 | Confident | 65.3 | Low | 47 Ų | 47 | 102.7 Ų | 102.7 | 18% | 0.177 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -51.8 | -36 | 174.8 | -78.8 | 170.4 | 161.7 | -166.5 | -9.9 | 112.5 | D13 V16 E18 P175 | D13-R179 PolarHBondContact O-NE 2.98Å; D13-R179 VanDerWaalsContact O-NE 3.07Å; D13-R179 PolarHBondContact O-NH2 3.21Å; V16-R179 PolarHBondContact O-NH1 3Å; V16-R179 PolarHBondContact O-NH2 2.83Å; E18-R179 IonicContact OE1-CZ 2.74Å; E18-R179 IonicContact OE1-NH1 2.74Å; E18-R179 PolarHBondContact OE1-NH1 3.35Å; P175-R179 VanDerWaalsContact O-CB 3.26Å; P175-R179 WeakPolarHBondContact O-CB 3.42Å; P175-R179 VanDerWaalsContact O-CG 3.22Å; P175-R179 WeakPolarHBondContact O-CG 3.38Å; P175-R179 PolarHBondContact O-N 3.33Å |
| 180 | R | 73.7 | Confident | 65.6 | Low | 183 Ų | 183 | 105.5 Ų | 105.5 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -77.8 | -46.6 | 177.2 | -174.8 | 177.5 | 178 | -174.3 | -1.5 | 113.3 | A176 L177 R178 R182 R183 | A176-R180 WeakPolarHBondContact O-CB 3.48Å; A176-R180 PolarHBondContact O-N 3.31Å; L177-R180 PolarHBondContact O-N 3.2Å; R178-R180 PolarHBondContact O-N 3.26Å; R180-R182 PolarHBondContact O-N 3.36Å; R180-R183 PolarHBondContact O-N 3.28Å |
| 181 | N | 70.8 | Confident | 65.6 | Low | 114 Ų | 114 | 106.7 Ų | 106.7 | 61% | 0.61 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -68.3 | -24.3 | -178.6 | -68.1 | -8.4 | 0 | 0 | 0 | 112.8 | L177 R178 R183 | L177-N181 WeakPolarHBondContact O-CB 3.28Å; L177-N181 PolarHBondContact O-N 2.95Å; R178-N181 PolarHBondContact O-N 3.27Å; N181-R183 VanDerWaalsContact C-N 3.29Å |
| 182 | R | 70.1 | Confident | 65.7 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 36% | 0.362 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -13.3 | 170.3 | -69.4 | -174.3 | -162.1 | 96 | -6.2 | 114.3 | D10 D13 R178 R180 P184 | D10-R182 IonicContact OD1-CZ 2.79Å; D10-R182 IonicContact OD1-NE 2.64Å; D10-R182 PolarHBondContact OD1-NE 2.91Å; D10-R182 IonicContact OD1-NH2 3.33Å; D10-R182 PolarHBondContact OD1-NH2 3.32Å; D10-R182 IonicContact OD2-NE 3.24Å; D13-R182 IonicContact OD2-CZ 3.85Å; D13-R182 IonicContact OD2-NH1 2.66Å; D13-R182 PolarHBondContact OD2-NH1 2.93Å; D13-R182 IonicContact OD2-NH2 3.53Å; D13-R182 PolarHBondContact OD2-NH2 2.82Å; R178-R182 VanDerWaalsContact CB-NH1 3.28Å; R178-R182 WeakPolarHBondContact O-CG 3.38Å; R178-R182 PolarHBondContact O-N 3.18Å; R178-R182 PolarHBondContact O-NH1 3.17Å; R180-R182 PolarHBondContact O-N 3.36Å; R182-P184 VanDerWaalsContact C-CD 3.44Å; R182-P184 WeakPolarHBondContact O-CD 3.45Å |
| 183 | R | 65.2 | Low | 65.6 | Low | 195 Ų | 195 | 114.1 Ų | 114.1 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -102.9 | 82.9 | 176.6 | -68.6 | 177.4 | -173.2 | 165.4 | 3.5 | 109.4 | R180 N181 D185 | R180-R183 PolarHBondContact O-N 3.28Å; N181-R183 VanDerWaalsContact C-N 3.29Å; R183-D185 PolarHBondContact O-N 2.87Å; R183-D185 VanDerWaalsContact O-N 3.15Å |
| 184 | P | 54.3 | Low | 65.3 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 69% | 0.688 | 59% | 0.586 | S | S | * | * | trans | -63.9 | 116.6 | 168.5 | 28.6 | -33.1 | 0 | 0 | 0 | 108.5 | R182 D186 | R182-P184 VanDerWaalsContact C-CD 3.44Å; R182-P184 WeakPolarHBondContact O-CD 3.45Å; P184-D186 PolarHBondContact O-N 3.47Å | ||
| 185 | D | 53.2 | Low | 64.6 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 60% | 0.603 | S | S | * | * | trans | -6.9 | 95.6 | 175.4 | -54.6 | -49.9 | 0 | 0 | 0 | 116.4 | R183 E187 | R183-D185 PolarHBondContact O-N 2.87Å; R183-D185 VanDerWaalsContact O-N 3.15Å; D185-E187 PolarHBondContact O-N 3.36Å | ||
| 186 | D | 51.8 | Low | 63.7 | Low | 176 Ų | 176 | 121.9 Ų | 121.9 | 94% | 0.941 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -75 | 28.5 | 167.3 | -108.6 | -20.8 | 0 | 0 | 0 | 111.9 | P184 | P184-D186 PolarHBondContact O-N 3.47Š|
| 187 | E | 50.4 | Low | 62.8 | Low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 66% | 0.656 | S | S | * | * | trans | -134.7 | 89.1 | 174.4 | -73.5 | -160.3 | 154.8 | 0 | 0 | 112 | D185 | D185-E187 PolarHBondContact O-N 3.36Š| ||
| 188 | A | 39.8 | Very low | 61.9 | Low | 178 Ų | 178 | 135.3 Ų | 135.3 | 100% | 1.471 | 69% | 0.687 | S | S | * | * | trans | -149.7 | 0 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 188 of 188 residues in 27.5 ms
(Link to these results)