| 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 | 37.5 | Very low | 38.9 | Very low | 256 Ų | 256 | 155.5 Ų | 155.5 | 100% | 1.261 | 83% | 0.833 | S | S | * | * | 0 | 101.3 | 0 | -61.6 | -179.6 | -174.1 | 0 | 0 | 105.9 | |||||
| 2 | G | 37.9 | Very low | 39.1 | Very low | 69 Ų | 69 | 151.7 Ų | 151.7 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | cis | 140.9 | 77 | 28.6 | 0 | 0 | 0 | 0 | 0 | 104.5 | R4 | G2-R4 PolarHBondContact O-N 3.28Š| ||
| 3 | E | 41.4 | Very low | 39.5 | Very low | 182 Ų | 182 | 147.8 Ų | 147.8 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | trans | -55.1 | 118.2 | -172.2 | -69.2 | 160.6 | 85.1 | 0 | 0 | 111.5 | L5 | E3-L5 PolarHBondContact O-N 2.71Š| ||
| 4 | R | 38.2 | Very low | 39.8 | Very low | 247 Ų | 247 | 146.9 Ų | 146.9 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -95.4 | 70.1 | 170.2 | -87.8 | -178.4 | 174.4 | 147.1 | -1.2 | 109.9 | G2 R6 | G2-R4 PolarHBondContact O-N 3.28Å; R4-R6 PolarHBondContact O-N 3.1Å | ||
| 5 | L | 41.5 | Very low | 40.3 | Very low | 152 Ų | 152 | 142.9 Ų | 142.9 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 88.1 | 156.9 | -80.6 | 163.7 | 0 | 0 | 0 | 107.6 | E3 S7 | E3-L5 PolarHBondContact O-N 2.71Å; L5-S7 VanDerWaalsContact C-N 3.32Å; L5-S7 PolarHBondContact O-N 3.09Å | ||
| 6 | R | 36.4 | Very low | 41 | Very low | 220 Ų | 220 | 137 Ų | 137 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -74.3 | 86.8 | 177 | -159.6 | -179.1 | -172.7 | -155.2 | 2.4 | 108.7 | R4 T8 | R4-R6 PolarHBondContact O-N 3.1Å; R6-T8 VanDerWaalsContact C-N 3.33Å; R6-T8 HydrophobicContact CG-CG2 4.49Å; R6-T8 PolarHBondContact O-N 2.93Å | ||
| 7 | S | 35.9 | Very low | 41.6 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -62.5 | 94.7 | 159.8 | -82.3 | 0 | 0 | 0 | 0 | 108.8 | L5 T9 | L5-S7 VanDerWaalsContact C-N 3.32Å; L5-S7 PolarHBondContact O-N 3.09Å; S7-T9 VanDerWaalsContact C-N 3.33Å; S7-T9 PolarHBondContact O-N 3.33Å | ||
| 8 | T | 40.2 | Very low | 42.4 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | trans | -86 | 83.8 | 157 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | R6 N10 | R6-T8 VanDerWaalsContact C-N 3.33Å; R6-T8 HydrophobicContact CG-CG2 4.49Å; R6-T8 PolarHBondContact O-N 2.93Å; T8-N10 PolarHBondContact O-N 3.44Å; T8-N10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | T | 36.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 81% | 0.81 | 71% | 0.707 | S | S | * | * | trans | -58.5 | 99.5 | 154 | -21.1 | 0 | 0 | 0 | 0 | 107 | S7 | S7-T9 VanDerWaalsContact C-N 3.33Å; S7-T9 PolarHBondContact O-N 3.33Å | ||
| 10 | N | 39.8 | Very low | 44.3 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | trans | -158.4 | 100.2 | 166.8 | -117.1 | -9.7 | 0 | 0 | 0 | 112.3 | T8 N12 | T8-N10 PolarHBondContact O-N 3.44Å; T8-N10 VanDerWaalsContact O-N 3.1Å; N10-N12 PolarHBondContact O-N 3.43Å | ||
| 11 | A | 42.2 | Very low | 45.1 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 59.4 | -1.2 | 145 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||
| 12 | N | 41.8 | Very low | 46.3 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 58% | 0.583 | 63% | 0.632 | S | S | * | * | trans | -109.7 | 3 | -177.2 | -89.3 | -48.8 | 0 | 0 | 0 | 116.7 | N10 N14 I15 | N10-N12 PolarHBondContact O-N 3.43Å; N12-N14 PolarHBondContact O-N 2.82Å; N12-I15 WeakPolarHBondContact OD1-CD1 3.1Å | ||
| 13 | S | 43.6 | Very low | 47.5 | Very low | 102 Ų | 102 | 124.8 Ų | 124.8 | 71% | 0.713 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -10.3 | -173.6 | -46.5 | 0 | 0 | 0 | 0 | 115.2 | ||
| 14 | N | 44.1 | Very low | 48.5 | Very low | 134 Ų | 134 | 122.5 Ų | 122.5 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -5.8 | -173.8 | -79.2 | 13.1 | 0 | 0 | 0 | 115.1 | N12 F16 | N12-N14 PolarHBondContact O-N 2.82Å; N14-F16 VanDerWaalsContact C-N 3.3Å; N14-F16 PolarHBondContact O-N 3.23Å |
| 15 | I | 47.3 | Very low | 49.5 | Very low | 87 Ų | 87 | 111.1 Ų | 111.1 | 45% | 0.446 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77 | -19.9 | -174.9 | -58 | 171.7 | 0 | 0 | 0 | 111.8 | N12 | N12-I15 WeakPolarHBondContact OD1-CD1 3.1Š|
| 16 | F | 51.8 | Low | 50.5 | Low | 49 Ų | 49 | 109.9 Ų | 109.9 | 22% | 0.215 | 56% | 0.563 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | 9.9 | -164.5 | -59.3 | -90.8 | 0 | 0 | 0 | 114.9 | N14 Y21 I49 I51 | N14-F16 VanDerWaalsContact C-N 3.3Å; N14-F16 PolarHBondContact O-N 3.23Å; F16-Y21 AromaticContact CD1-CD1 3.71Å; F16-Y21 HydrophobicContact CD1-CD1 3.71Å; F16-Y21 AromaticContact CD1-CE1 3.45Å; F16-Y21 HydrophobicContact CD1-CE1 3.45Å; F16-Y21 VanDerWaalsContact CD1-CE1 3.45Å; F16-Y21 HydrophobicContact CE1-CD1 4.09Å; F16-Y21 AromaticContact CE1-CE1 3.33Å; F16-Y21 HydrophobicContact CE1-CE1 3.33Å; F16-Y21 HydrophobicContact CZ-CE1 4.39Å; F16-I49 HydrophobicContact CD1-CG2 4.36Å; F16-I49 HydrophobicContact CE1-CD1 4.29Å; F16-I49 HydrophobicContact CE1-CG2 3.76Å; F16-I49 HydrophobicContact CZ-CD1 4.34Å; F16-I49 HydrophobicContact CZ-CG2 4.01Å; F16-I51 HydrophobicContact CB-CG1 4.49Å; F16-I51 HydrophobicContact CB-CG2 4.22Å; F16-I51 HydrophobicContact CD1-CD1 3.89Å; F16-I51 HydrophobicContact CD1-CG1 3.96Å; F16-I51 HydrophobicContact CG-CG1 4.48Å |
| 17 | Q | 51.2 | Low | 51.8 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | trans | -84.1 | -8.4 | 178.2 | -64.6 | -173 | 15.8 | 0 | 0 | 113.9 | C55 | Q17-C55 HydrophobicContact CG-CB 4.36Å; Q17-C55 PolarHBondContact NE2-SG 2.87Å | ||
| 18 | D | 56.1 | Low | 53 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 35% | 0.353 | 56% | 0.558 | S | S | . | * | trans | -92.6 | 114.4 | -178.6 | -160.6 | -64.6 | 0 | 0 | 0 | 109.8 | R20 Y21 | D18-R20 PolarHBondContact O-N 2.94Å; D18-R20 WeakPolarHBondContact OD1-CA 3.5Å; D18-R20 WeakPolarHBondContact OD1-CB 3.07Å; D18-R20 WeakPolarHBondContact OD1-CG 2.98Å; D18-R20 IonicContact OD1-CZ 3.46Å; D18-R20 PolarHBondContact OD1-N 2.93Å; D18-R20 IonicContact OD1-NE 3.23Å; D18-R20 PolarHBondContact OD1-NE 2.99Å; D18-R20 IonicContact OD1-NH2 2.82Å; D18-R20 IonicContact OD2-CZ 3.85Å; D18-R20 IonicContact OD2-NE 2.87Å; D18-R20 PolarHBondContact OD2-NE 3.43Å; D18-R20 IonicContact OD2-NH2 3.93Å; D18-R20 PolarHBondContact OD2-NH2 3.43Å; D18-Y21 VanDerWaalsContact O-CB 3.29Å; D18-Y21 WeakPolarHBondContact O-CB 3.2Å; D18-Y21 PolarHBondContact O-N 3.1Å | ||
| 19 | E | 58.9 | Low | 53.8 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 69% | 0.687 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -51.6 | -24.8 | 175.5 | -70.5 | -176.6 | 77.3 | 0 | 0 | 112.8 | Y21 I22 K23 | E19-Y21 VanDerWaalsContact C-N 3.28Å; E19-Y21 PolarHBondContact O-N 3.3Å; E19-I22 PolarHBondContact O-N 2.54Å; E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 2.66Å |
| 20 | R | 62.8 | Low | 54.9 | Low | 169 Ų | 169 | 101.1 Ų | 101.1 | 64% | 0.638 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.8 | -31.5 | 174.9 | -58.3 | 177.1 | -85.1 | -167.7 | -7.1 | 111.9 | D18 K23 Q24 | D18-R20 PolarHBondContact O-N 2.94Å; D18-R20 WeakPolarHBondContact OD1-CA 3.5Å; D18-R20 WeakPolarHBondContact OD1-CB 3.07Å; D18-R20 WeakPolarHBondContact OD1-CG 2.98Å; D18-R20 IonicContact OD1-CZ 3.46Å; D18-R20 PolarHBondContact OD1-N 2.93Å; D18-R20 IonicContact OD1-NE 3.23Å; D18-R20 PolarHBondContact OD1-NE 2.99Å; D18-R20 IonicContact OD1-NH2 2.82Å; D18-R20 IonicContact OD2-CZ 3.85Å; D18-R20 IonicContact OD2-NE 2.87Å; D18-R20 PolarHBondContact OD2-NE 3.43Å; D18-R20 IonicContact OD2-NH2 3.93Å; D18-R20 PolarHBondContact OD2-NH2 3.43Å; R20-K23 PolarHBondContact O-N 2.87Å; R20-Q24 WeakPolarHBondContact O-CB 3.17Å; R20-Q24 WeakPolarHBondContact O-CG 3.08Å; R20-Q24 PolarHBondContact O-N 3.36Å |
| 21 | Y | 62.2 | Low | 55.9 | Low | 81 Ų | 81 | 100.7 Ų | 100.7 | 32% | 0.318 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67 | -44.4 | 176.6 | -167.4 | -100.8 | 0 | 0 | 0 | 110.8 | F16 D18 E19 K23 Q24 I25 | F16-Y21 AromaticContact CD1-CD1 3.71Å; F16-Y21 HydrophobicContact CD1-CD1 3.71Å; F16-Y21 AromaticContact CD1-CE1 3.45Å; F16-Y21 HydrophobicContact CD1-CE1 3.45Å; F16-Y21 VanDerWaalsContact CD1-CE1 3.45Å; F16-Y21 HydrophobicContact CE1-CD1 4.09Å; F16-Y21 AromaticContact CE1-CE1 3.33Å; F16-Y21 HydrophobicContact CE1-CE1 3.33Å; F16-Y21 HydrophobicContact CZ-CE1 4.39Å; D18-Y21 VanDerWaalsContact O-CB 3.29Å; D18-Y21 WeakPolarHBondContact O-CB 3.2Å; D18-Y21 PolarHBondContact O-N 3.1Å; E19-Y21 VanDerWaalsContact C-N 3.28Å; E19-Y21 PolarHBondContact O-N 3.3Å; Y21-K23 VanDerWaalsContact C-N 3.33Å; Y21-K23 PolarHBondContact O-N 3.3Å; Y21-Q24 PolarHBondContact O-N 2.97Å; Y21-I25 HydrophobicContact CD1-CD1 3.43Å; Y21-I25 VanDerWaalsContact CD1-CD1 3.43Å; Y21-I25 HydrophobicContact CD1-CG1 4.26Å; Y21-I25 HydrophobicContact CE1-CD1 3.26Å; Y21-I25 HydrophobicContact CE1-CG1 4.04Å; Y21-I25 HydrophobicContact CG-CD1 4.4Å; Y21-I25 VanDerWaalsContact O-CG1 3.29Å; Y21-I25 WeakPolarHBondContact O-CG1 3.36Å; Y21-I25 PolarHBondContact O-N 2.73Å |
| 22 | I | 61.5 | Low | 57 | Low | 28 Ų | 28 | 98 Ų | 98 | 14% | 0.144 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -62.2 | -40.6 | 174.5 | -59.6 | 174.9 | 0 | 0 | 0 | 110.9 | E19 I25 K26 I51 | E19-I22 PolarHBondContact O-N 2.54Å; I22-I25 PolarHBondContact O-N 3.4Å; I22-K26 HydrophobicContact CG2-CD 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.29Å; I22-K26 PolarHBondContact O-N 3.04Å; I22-I51 HydrophobicContact CD1-CG2 4.16Å; I22-I51 HydrophobicContact CG1-CD1 4.48Å |
| 23 | K | 64 | Low | 58.3 | Low | 143 Ų | 143 | 95 Ų | 95 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 175.6 | -74.8 | 177.6 | -178.9 | 174.1 | 0 | 112.5 | E19 R20 Y21 K26 K27 | E19-K23 WeakPolarHBondContact O-CG 3.47Å; E19-K23 PolarHBondContact O-N 2.66Å; R20-K23 PolarHBondContact O-N 2.87Å; Y21-K23 VanDerWaalsContact C-N 3.33Å; Y21-K23 PolarHBondContact O-N 3.3Å; K23-K26 PolarHBondContact O-N 3.39Å; K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.1Å |
| 24 | Q | 61.2 | Low | 59.5 | Low | 134 Ų | 134 | 95.5 Ų | 95.5 | 63% | 0.626 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 175.5 | -78 | -173.3 | 83.1 | 0 | 0 | 111.8 | R20 Y21 K26 K27 S28 | R20-Q24 WeakPolarHBondContact O-CB 3.17Å; R20-Q24 WeakPolarHBondContact O-CG 3.08Å; R20-Q24 PolarHBondContact O-N 3.36Å; Y21-Q24 PolarHBondContact O-N 2.97Å; Q24-K26 PolarHBondContact O-N 3.21Å; Q24-K27 WeakPolarHBondContact O-CB 3.05Å; Q24-K27 PolarHBondContact O-N 2.82Å; Q24-K27 VanDerWaalsContact O-N 3.16Å; Q24-S28 PolarHBondContact O-N 2.98Å |
| 25 | I | 60.7 | Low | 60.6 | Low | 9 Ų | 9 | 95.3 Ų | 95.3 | 5% | 0.046 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -58.7 | -49.7 | 175.2 | -72.6 | 166 | 0 | 0 | 0 | 111.3 | Y21 I22 K27 S28 V32 M41 I51 | Y21-I25 HydrophobicContact CD1-CD1 3.43Å; Y21-I25 VanDerWaalsContact CD1-CD1 3.43Å; Y21-I25 HydrophobicContact CD1-CG1 4.26Å; Y21-I25 HydrophobicContact CE1-CD1 3.26Å; Y21-I25 HydrophobicContact CE1-CG1 4.04Å; Y21-I25 HydrophobicContact CG-CD1 4.4Å; Y21-I25 VanDerWaalsContact O-CG1 3.29Å; Y21-I25 WeakPolarHBondContact O-CG1 3.36Å; Y21-I25 PolarHBondContact O-N 2.73Å; I22-I25 PolarHBondContact O-N 3.4Å; I25-K27 PolarHBondContact O-N 3.42Å; I25-S28 WeakPolarHBondContact O-CB 3.49Å; I25-S28 PolarHBondContact O-N 3.44Å; I25-V32 HydrophobicContact CG2-CG2 3.31Å; I25-M41 HydrophobicContact CB-CE 4.21Å; I25-M41 HydrophobicContact CB-SD 4.16Å; I25-M41 HydrophobicContact CD1-CE 4.19Å; I25-M41 HydrophobicContact CD1-SD 3.41Å; I25-M41 WeakPolarHBondContact CD1-SD 3.41Å; I25-M41 HydrophobicContact CG1-CE 3.78Å; I25-M41 HydrophobicContact CG1-SD 3.67Å; I25-M41 HydrophobicContact CG2-CE 3.5Å; I25-M41 HydrophobicContact CG2-CG 3.99Å; I25-M41 HydrophobicContact CG2-SD 3.38Å; I25-M41 WeakPolarHBondContact CG2-SD 3.45Å; I25-I51 HydrophobicContact CD1-CD1 4.15Å |
| 26 | K | 61.6 | Low | 61.7 | Low | 125 Ų | 125 | 94 Ų | 94 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.8 | -35.2 | 178 | -76.8 | -179.8 | 177.3 | -178.1 | 0 | 111.5 | I22 K23 Q24 | I22-K26 HydrophobicContact CG2-CD 4.48Å; I22-K26 WeakPolarHBondContact O-CG 3.29Å; I22-K26 PolarHBondContact O-N 3.04Å; K23-K26 PolarHBondContact O-N 3.39Å; Q24-K26 PolarHBondContact O-N 3.21Å |
| 27 | K | 64.5 | Low | 62.4 | Low | 192 Ų | 192 | 96.1 Ų | 96.1 | 84% | 0.835 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73 | -27 | 176.8 | -165.5 | 175.7 | -179.1 | -177.7 | 0 | 113.2 | K23 Q24 I25 G29 | K23-K27 PolarHBondContact O-N 2.87Å; K23-K27 VanDerWaalsContact O-N 3.1Å; Q24-K27 WeakPolarHBondContact O-CB 3.05Å; Q24-K27 PolarHBondContact O-N 2.82Å; Q24-K27 VanDerWaalsContact O-N 3.16Å; I25-K27 PolarHBondContact O-N 3.42Å; K27-G29 PolarHBondContact O-N 3.38Å |
| 28 | S | 61.4 | Low | 63.1 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | 2.7 | -178.9 | -166.9 | 0 | 0 | 0 | 0 | 114.2 | Q24 I25 S30 | Q24-S28 PolarHBondContact O-N 2.98Å; I25-S28 WeakPolarHBondContact O-CB 3.49Å; I25-S28 PolarHBondContact O-N 3.44Å; S28-S30 PolarHBondContact O-N 2.91Å |
| 29 | G | 55.7 | Low | 63.6 | Low | 68 Ų | 68 | 93 Ų | 93 | 70% | 0.701 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 13 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K27 | K27-G29 PolarHBondContact O-N 3.38Š|
| 30 | S | 61.2 | Low | 64 | Low | 34 Ų | 34 | 87.9 Ų | 87.9 | 24% | 0.238 | 45% | 0.447 | C | S | . | . | trans | -72.3 | 133.2 | 175 | -64.6 | 0 | 0 | 0 | 0 | 110.3 | S28 V32 M41 | S28-S30 PolarHBondContact O-N 2.91Å; S30-V32 PolarHBondContact O-N 2.77Å; S30-M41 WeakPolarHBondContact OG-CE 3.38Å | ||
| 31 | L | 60.4 | Low | 64.1 | Low | 130 Ų | 130 | 80.5 Ų | 80.5 | 68% | 0.681 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 104.9 | 177.1 | -78.7 | 157.7 | 0 | 0 | 0 | 109.3 | M41 H42 | L31-M41 WeakPolarHBondContact O-CA 3.29Å; L31-H42 HydrophobicContact CB-CB 4.22Å; L31-H42 PolarHBondContact O-N 3.16Å |
| 32 | V | 64.2 | Low | 64.2 | Low | 41 Ų | 41 | 80.2 Ų | 80.2 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 116.4 | 172.6 | -175 | 0 | 0 | 0 | 0 | 108.7 | I25 S30 Y39 K40 M41 | I25-V32 HydrophobicContact CG2-CG2 3.31Å; S30-V32 PolarHBondContact O-N 2.77Å; V32-Y39 HydrophobicContact CG1-CD1 3.65Å; V32-Y39 HydrophobicContact CG1-CG 4.18Å; V32-K40 CarbonylContact C-O 3.51Å; V32-K40 WeakPolarHBondContact CA-O 3.49Å; V32-M41 HydrophobicContact CG2-CB 4.29Å; V32-M41 HydrophobicContact CG2-CG 4.13Å |
| 33 | S | 68.7 | Low | 64 | Low | 45 Ų | 45 | 80.5 Ų | 80.5 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.3 | 175.2 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | Y35 Y39 K40 | S33-Y35 WeakPolarHBondContact O-CD2 3.47Å; S33-Y39 CarbonylContact O-C 3.53Å; S33-Y39 WeakPolarHBondContact O-CA 3.43Å; S33-K40 PolarHBondContact N-O 3.01Å; S33-K40 PolarHBondContact O-N 3.4Å |
| 34 | K | 69.7 | Low | 63.5 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 129.3 | 173.8 | -174.9 | 174.8 | 172.2 | 167.8 | 0 | 109.8 | G36 F38 Y39 E53 | K34-G36 WeakPolarHBondContact CE-O 3.27Å; K34-F38 CarbonylContact C-O 3.3Å; K34-F38 WeakPolarHBondContact CA-O 3.49Å; K34-Y39 HydrophobicContact CB-CD1 3.95Å; K34-Y39 HydrophobicContact CB-CE1 3.88Å; K34-Y39 HydrophobicContact CD-CE1 4.08Å; K34-Y39 HydrophobicContact CG-CD1 4.28Å; K34-Y39 HydrophobicContact CG-CE1 4.03Å; K34-E53 WeakPolarHBondContact CE-OE2 3.46Å; K34-E53 IonicContact NZ-OE1 2.87Å; K34-E53 PolarHBondContact NZ-OE1 3Å; K34-E53 IonicContact NZ-OE2 2.66Å; K34-E53 PolarHBondContact NZ-OE2 2.91Å |
| 35 | Y | 67.2 | Low | 63.5 | Low | 129 Ų | 129 | 83.7 Ų | 83.7 | 51% | 0.506 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 91.4 | 175.4 | -73.3 | -85.5 | 0 | 0 | 0 | 109.2 | S33 D37 F38 K40 | S33-Y35 WeakPolarHBondContact O-CD2 3.47Å; Y35-D37 PolarHBondContact O-N 2.65Å; Y35-F38 CarbonylContact C-O 3.46Å; Y35-F38 PolarHBondContact N-O 3.24Å; Y35-F38 WeakPolarHBondContact O-CA 3.17Å; Y35-F38 WeakPolarHBondContact O-CB 3.44Å; Y35-F38 PolarHBondContact O-N 2.71Å; Y35-K40 HydrophobicContact CD2-CB 3.55Å; Y35-K40 HydrophobicContact CD2-CD 4.32Å; Y35-K40 HydrophobicContact CE2-CB 3.59Å; Y35-K40 HydrophobicContact CE2-CD 3.66Å; Y35-K40 HydrophobicContact CE2-CG 4.29Å |
| 36 | G | 70.2 | Confident | 63.3 | Low | 60 Ų | 60 | 86.3 Ų | 86.3 | 62% | 0.619 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.2 | -120.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K34 F38 | K34-G36 WeakPolarHBondContact CE-O 3.27Å; G36-F38 PolarHBondContact O-N 2.94Å |
| 37 | D | 67.9 | Low | 63.1 | Low | 94 Ų | 94 | 85.8 Ų | 85.8 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 5 | 174.9 | -65.2 | -72.4 | 0 | 0 | 0 | 114.2 | Y35 R52 E53 | Y35-D37 PolarHBondContact O-N 2.65Å; D37-R52 CarbonylContact O-C 3.52Å; D37-R52 WeakPolarHBondContact O-CA 3.17Å; D37-E53 PolarHBondContact O-N 3.34Å |
| 38 | F | 65.4 | Low | 63 | Low | 83 Ų | 83 | 79.8 Ų | 79.8 | 36% | 0.364 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 157.3 | -177.5 | -58.1 | -104.3 | 0 | 0 | 0 | 111.6 | K34 Y35 G36 I51 R52 | K34-F38 CarbonylContact C-O 3.3Å; K34-F38 WeakPolarHBondContact CA-O 3.49Å; Y35-F38 CarbonylContact C-O 3.46Å; Y35-F38 PolarHBondContact N-O 3.24Å; Y35-F38 WeakPolarHBondContact O-CA 3.17Å; Y35-F38 WeakPolarHBondContact O-CB 3.44Å; Y35-F38 PolarHBondContact O-N 2.71Å; G36-F38 PolarHBondContact O-N 2.94Å; F38-I51 CarbonylContact C-O 3.4Å; F38-I51 VanDerWaalsContact C-O 3.3Å; F38-I51 WeakPolarHBondContact CA-O 3.4Å; F38-R52 HydrophobicContact CD1-CB 4.37Å; F38-R52 HydrophobicContact CD1-CG 3.23Å; F38-R52 HydrophobicContact CD2-CG 4.41Å; F38-R52 HydrophobicContact CE1-CB 4.46Å; F38-R52 HydrophobicContact CE1-CG 3.03Å; F38-R52 HydrophobicContact CE2-CG 4.23Å; F38-R52 HydrophobicContact CG-CG 3.95Å; F38-R52 HydrophobicContact CZ-CG 3.57Å |
| 39 | Y | 66.8 | Low | 63.1 | Low | 35 Ų | 35 | 77.7 Ų | 77.7 | 14% | 0.137 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.7 | 168.1 | -69.7 | -86.1 | 0 | 0 | 0 | 107.6 | V32 S33 K34 F50 I51 E53 | V32-Y39 HydrophobicContact CG1-CD1 3.65Å; V32-Y39 HydrophobicContact CG1-CG 4.18Å; S33-Y39 CarbonylContact O-C 3.53Å; S33-Y39 WeakPolarHBondContact O-CA 3.43Å; K34-Y39 HydrophobicContact CB-CD1 3.95Å; K34-Y39 HydrophobicContact CB-CE1 3.88Å; K34-Y39 HydrophobicContact CD-CE1 4.08Å; K34-Y39 HydrophobicContact CG-CD1 4.28Å; K34-Y39 HydrophobicContact CG-CE1 4.03Å; Y39-F50 CarbonylContact O-C 3.56Å; Y39-F50 VanDerWaalsContact O-CA 3.27Å; Y39-F50 WeakPolarHBondContact O-CA 3.44Å; Y39-I51 PolarHBondContact N-O 3.05Å; Y39-I51 PolarHBondContact O-N 3Å; Y39-E53 HydrophobicContact CD2-CB 4.33Å; Y39-E53 HydrophobicContact CE2-CB 3.73Å; Y39-E53 HydrophobicContact CE2-CG 3.81Å; Y39-E53 WeakPolarHBondContact CE2-OE2 3.48Å; Y39-E53 PolarHBondContact OH-OE2 3.03Å |
| 40 | K | 66.8 | Low | 63.4 | Low | 40 Ų | 40 | 80.6 Ų | 80.6 | 17% | 0.174 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 115 | 170 | -173.9 | -174.2 | -175.4 | -163.6 | 0 | 108.4 | V32 S33 Y35 H42 N48 I49 F50 | V32-K40 CarbonylContact C-O 3.51Å; V32-K40 WeakPolarHBondContact CA-O 3.49Å; S33-K40 PolarHBondContact N-O 3.01Å; S33-K40 PolarHBondContact O-N 3.4Å; Y35-K40 HydrophobicContact CD2-CB 3.55Å; Y35-K40 HydrophobicContact CD2-CD 4.32Å; Y35-K40 HydrophobicContact CE2-CB 3.59Å; Y35-K40 HydrophobicContact CE2-CD 3.66Å; Y35-K40 HydrophobicContact CE2-CG 4.29Å; K40-H42 WeakPolarHBondContact CE-NE2 3.36Å; K40-H42 PolarHBondContact NZ-CE1 3.5Å; K40-H42 PolarHBondContact NZ-NE2 3.1Å; K40-N48 HydrophobicContact CG-CB 4.46Å; K40-I49 CarbonylContact C-O 3.53Å; K40-I49 WeakPolarHBondContact CA-O 3.29Å; K40-F50 HydrophobicContact CB-CD1 4.04Å; K40-F50 HydrophobicContact CB-CE1 4.01Å; K40-F50 HydrophobicContact CD-CE1 3.84Å; K40-F50 HydrophobicContact CD-CZ 4.17Å; K40-F50 HydrophobicContact CG-CD1 4.07Å; K40-F50 HydrophobicContact CG-CE1 3.67Å; K40-F50 HydrophobicContact CG-CZ 4.09Å |
| 41 | M | 65.4 | Low | 63.5 | Low | 14 Ų | 14 | 79.3 Ų | 79.3 | 7% | 0.069 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.1 | 171.3 | -178.1 | -175.6 | 172.5 | 0 | 0 | 108.7 | I25 S30 L31 V32 N48 I49 | I25-M41 HydrophobicContact CB-CE 4.21Å; I25-M41 HydrophobicContact CB-SD 4.16Å; I25-M41 HydrophobicContact CD1-CE 4.19Å; I25-M41 HydrophobicContact CD1-SD 3.41Å; I25-M41 WeakPolarHBondContact CD1-SD 3.41Å; I25-M41 HydrophobicContact CG1-CE 3.78Å; I25-M41 HydrophobicContact CG1-SD 3.67Å; I25-M41 HydrophobicContact CG2-CE 3.5Å; I25-M41 HydrophobicContact CG2-CG 3.99Å; I25-M41 HydrophobicContact CG2-SD 3.38Å; I25-M41 WeakPolarHBondContact CG2-SD 3.45Å; S30-M41 WeakPolarHBondContact OG-CE 3.38Å; L31-M41 WeakPolarHBondContact O-CA 3.29Å; V32-M41 HydrophobicContact CG2-CB 4.29Å; V32-M41 HydrophobicContact CG2-CG 4.13Å; M41-N48 CarbonylContact O-C 3.56Å; M41-N48 VanDerWaalsContact O-CA 3.29Å; M41-N48 WeakPolarHBondContact O-CA 3.37Å; M41-I49 HydrophobicContact CB-CB 4.38Å; M41-I49 PolarHBondContact N-O 3.25Å; M41-I49 PolarHBondContact O-N 3.26Å |
| 42 | H | 63.3 | Low | 63.5 | Low | 75 Ų | 75 | 80.5 Ų | 80.5 | 35% | 0.347 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 112.1 | 170.2 | -80.7 | -104.7 | 0 | 0 | 0 | 109 | L31 K40 N48 | L31-H42 HydrophobicContact CB-CB 4.22Å; L31-H42 PolarHBondContact O-N 3.16Å; K40-H42 WeakPolarHBondContact CE-NE2 3.36Å; K40-H42 PolarHBondContact NZ-CE1 3.5Å; K40-H42 PolarHBondContact NZ-NE2 3.1Å; H42-N48 PolarHBondContact CE1-OD1 3.01Å; H42-N48 VanDerWaalsContact CG-OD1 3.29Å; H42-N48 PolarHBondContact ND1-OD1 2.73Å |
| 43 | C | 58.1 | Low | 63 | Low | 35 Ų | 35 | 82.2 Ų | 82.2 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | trans | -88.5 | 144 | 169.8 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | N45 G46 N47 | C43-N45 PolarHBondContact O-N 2.76Å; C43-G46 PolarHBondContact O-N 2.79Å; C43-G46 VanDerWaalsContact O-N 3.13Å; C43-N47 VanDerWaalsContact CB-O 3.23Å; C43-N47 WeakPolarHBondContact CB-O 3.44Å; C43-N47 PolarHBondContact N-O 3.44Å | ||
| 44 | Q | 52.5 | Low | 62.2 | Low | 203 Ų | 203 | 87.6 Ų | 87.6 | 95% | 0.949 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -20.5 | 179.6 | -75 | 179.3 | -23.1 | 0 | 0 | 113.5 | G46 | Q44-G46 PolarHBondContact O-N 2.98Å; Q44-G46 VanDerWaalsContact O-N 3.16Å |
| 45 | N | 62.1 | Low | 60.9 | Low | 141 Ų | 141 | 87 Ų | 87 | 75% | 0.754 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | 16.1 | 177.9 | -64.7 | 3.5 | 0 | 0 | 0 | 113.9 | C43 N47 | C43-N45 PolarHBondContact O-N 2.76Å; N45-N47 PolarHBondContact O-N 2.89Å; N45-N47 VanDerWaalsContact O-N 3.13Å |
| 46 | G | 56.5 | Low | 59.5 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 74.4 | -4.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C43 Q44 | C43-G46 PolarHBondContact O-N 2.79Å; C43-G46 VanDerWaalsContact O-N 3.13Å; Q44-G46 PolarHBondContact O-N 2.98Å; Q44-G46 VanDerWaalsContact O-N 3.16Å |
| 47 | N | 57.3 | Low | 57.9 | Low | 113 Ų | 113 | 87.8 Ų | 87.8 | 60% | 0.604 | 46% | 0.457 | S | S | * | . | trans | -85.1 | 128 | 175.8 | -68.8 | -46.2 | 0 | 0 | 0 | 110.2 | C43 N45 | C43-N47 VanDerWaalsContact CB-O 3.23Å; C43-N47 WeakPolarHBondContact CB-O 3.44Å; C43-N47 PolarHBondContact N-O 3.44Å; N45-N47 PolarHBondContact O-N 2.89Å; N45-N47 VanDerWaalsContact O-N 3.13Å | ||
| 48 | N | 62.7 | Low | 56.6 | Low | 67 Ų | 67 | 90.3 Ų | 90.3 | 36% | 0.358 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.6 | 171.1 | -61.7 | -50 | 0 | 0 | 0 | 109.1 | K40 M41 H42 F50 | K40-N48 HydrophobicContact CG-CB 4.46Å; M41-N48 CarbonylContact O-C 3.56Å; M41-N48 VanDerWaalsContact O-CA 3.29Å; M41-N48 WeakPolarHBondContact O-CA 3.37Å; H42-N48 PolarHBondContact CE1-OD1 3.01Å; H42-N48 VanDerWaalsContact CG-OD1 3.29Å; H42-N48 PolarHBondContact ND1-OD1 2.73Å; N48-F50 HydrophobicContact CB-CE2 4.17Å; N48-F50 HydrophobicContact CB-CZ 4.48Å |
| 49 | I | 62.2 | Low | 55.1 | Low | 47 Ų | 47 | 94.2 Ų | 94.2 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 132.6 | 175.5 | -55.6 | 175.5 | 0 | 0 | 0 | 108.2 | F16 K40 M41 I51 | F16-I49 HydrophobicContact CD1-CG2 4.36Å; F16-I49 HydrophobicContact CE1-CD1 4.29Å; F16-I49 HydrophobicContact CE1-CG2 3.76Å; F16-I49 HydrophobicContact CZ-CD1 4.34Å; F16-I49 HydrophobicContact CZ-CG2 4.01Å; K40-I49 CarbonylContact C-O 3.53Å; K40-I49 WeakPolarHBondContact CA-O 3.29Å; M41-I49 HydrophobicContact CB-CB 4.38Å; M41-I49 PolarHBondContact N-O 3.25Å; M41-I49 PolarHBondContact O-N 3.26Å; I49-I51 HydrophobicContact CG2-CG1 4.06Å |
| 50 | F | 63.1 | Low | 53.5 | Low | 130 Ų | 130 | 100 Ų | 100 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.7 | 175.6 | -61 | -94.8 | 0 | 0 | 0 | 109.5 | Y39 K40 N48 | Y39-F50 CarbonylContact O-C 3.56Å; Y39-F50 VanDerWaalsContact O-CA 3.27Å; Y39-F50 WeakPolarHBondContact O-CA 3.44Å; K40-F50 HydrophobicContact CB-CD1 4.04Å; K40-F50 HydrophobicContact CB-CE1 4.01Å; K40-F50 HydrophobicContact CD-CE1 3.84Å; K40-F50 HydrophobicContact CD-CZ 4.17Å; K40-F50 HydrophobicContact CG-CD1 4.07Å; K40-F50 HydrophobicContact CG-CE1 3.67Å; K40-F50 HydrophobicContact CG-CZ 4.09Å; N48-F50 HydrophobicContact CB-CE2 4.17Å; N48-F50 HydrophobicContact CB-CZ 4.48Å |
| 51 | I | 62.7 | Low | 52 | Low | 7 Ų | 7 | 106 Ų | 106 | 4% | 0.036 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.5 | -175.9 | -54.2 | 170.4 | 0 | 0 | 0 | 109 | F16 I22 I25 F38 Y39 I49 | F16-I51 HydrophobicContact CB-CG1 4.49Å; F16-I51 HydrophobicContact CB-CG2 4.22Å; F16-I51 HydrophobicContact CD1-CD1 3.89Å; F16-I51 HydrophobicContact CD1-CG1 3.96Å; F16-I51 HydrophobicContact CG-CG1 4.48Å; I22-I51 HydrophobicContact CD1-CG2 4.16Å; I22-I51 HydrophobicContact CG1-CD1 4.48Å; I25-I51 HydrophobicContact CD1-CD1 4.15Å; F38-I51 CarbonylContact C-O 3.4Å; F38-I51 VanDerWaalsContact C-O 3.3Å; F38-I51 WeakPolarHBondContact CA-O 3.4Å; Y39-I51 PolarHBondContact N-O 3.05Å; Y39-I51 PolarHBondContact O-N 3Å; I49-I51 HydrophobicContact CG2-CG1 4.06Å |
| 52 | R | 60.8 | Low | 51.3 | Low | 155 Ų | 155 | 110.6 Ų | 110.6 | 59% | 0.585 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 137.5 | 172.5 | -76.1 | 179.3 | 94.6 | -175.8 | 0.9 | 111.6 | D37 F38 K54 | D37-R52 CarbonylContact O-C 3.52Å; D37-R52 WeakPolarHBondContact O-CA 3.17Å; F38-R52 HydrophobicContact CD1-CB 4.37Å; F38-R52 HydrophobicContact CD1-CG 3.23Å; F38-R52 HydrophobicContact CD2-CG 4.41Å; F38-R52 HydrophobicContact CE1-CB 4.46Å; F38-R52 HydrophobicContact CE1-CG 3.03Å; F38-R52 HydrophobicContact CE2-CG 4.23Å; F38-R52 HydrophobicContact CG-CG 3.95Å; F38-R52 HydrophobicContact CZ-CG 3.57Å; R52-K54 VanDerWaalsContact C-N 3.29Å; R52-K54 PolarHBondContact O-N 3.49Å |
| 53 | E | 53.1 | Low | 50.7 | Low | 77 Ų | 77 | 112.4 Ų | 112.4 | 36% | 0.36 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -68.7 | -24.3 | 178.3 | -172.8 | 166 | 110.8 | 0 | 0 | 112.8 | K34 D37 Y39 | K34-E53 WeakPolarHBondContact CE-OE2 3.46Å; K34-E53 IonicContact NZ-OE1 2.87Å; K34-E53 PolarHBondContact NZ-OE1 3Å; K34-E53 IonicContact NZ-OE2 2.66Å; K34-E53 PolarHBondContact NZ-OE2 2.91Å; D37-E53 PolarHBondContact O-N 3.34Å; Y39-E53 HydrophobicContact CD2-CB 4.33Å; Y39-E53 HydrophobicContact CE2-CB 3.73Å; Y39-E53 HydrophobicContact CE2-CG 3.81Å; Y39-E53 WeakPolarHBondContact CE2-OE2 3.48Å; Y39-E53 PolarHBondContact OH-OE2 3.03Å |
| 54 | K | 52.3 | Low | 50.3 | Low | 157 Ų | 157 | 116.7 Ų | 116.7 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | trans | -128.5 | 120.6 | 175.5 | -74 | -173 | 176.4 | 179.8 | 0 | 111.6 | R52 G56 | R52-K54 VanDerWaalsContact C-N 3.29Å; R52-K54 PolarHBondContact O-N 3.49Å; K54-G56 VanDerWaalsContact C-N 3.32Å; K54-G56 PolarHBondContact O-N 3.25Å | ||
| 55 | C | 41.6 | Very low | 50.2 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 69% | 0.689 | 62% | 0.618 | S | S | * | * | trans | -82.5 | 84.3 | 156.3 | -155.7 | 0 | 0 | 0 | 0 | 107.1 | Q17 | Q17-C55 HydrophobicContact CG-CB 4.36Å; Q17-C55 PolarHBondContact NE2-SG 2.87Å | ||
| 56 | G | 38.4 | Very low | 49.4 | Very low | 58 Ų | 58 | 109.8 Ų | 109.8 | 60% | 0.598 | 61% | 0.61 | S | S | * | * | trans | -142.4 | 110.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | K54 | K54-G56 VanDerWaalsContact C-N 3.32Å; K54-G56 PolarHBondContact O-N 3.25Å | ||
| 57 | E | 37.7 | Very low | 49 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | trans | 56 | 82.7 | 174.8 | -70.4 | 179.5 | 88.6 | 0 | 0 | 115.9 | K59 | E57-K59 PolarHBondContact O-N 3.13Å; E57-K59 WeakPolarHBondContact OE1-CD 3.23Å; E57-K59 WeakPolarHBondContact OE1-CE 3.39Å; E57-K59 IonicContact OE1-NZ 2.71Å; E57-K59 PolarHBondContact OE1-NZ 3.16Å | ||
| 58 | N | 39.1 | Very low | 48.4 | Very low | 147 Ų | 147 | 112.9 Ų | 112.9 | 79% | 0.786 | 61% | 0.607 | S | S | * | * | trans | -71.4 | 72.5 | 148.4 | -150.3 | -2.2 | 0 | 0 | 0 | 107.9 | L60 | N58-L60 PolarHBondContact O-N 3.13Å; N58-L60 VanDerWaalsContact O-N 3.09Å | ||
| 59 | K | 34 | Very low | 47.3 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 72% | 0.717 | 63% | 0.626 | S | S | * | * | trans | -75.8 | 85.4 | 160.4 | -86.6 | 179.4 | 174.2 | 148 | 0 | 106.7 | E57 A61 | E57-K59 PolarHBondContact O-N 3.13Å; E57-K59 WeakPolarHBondContact OE1-CD 3.23Å; E57-K59 WeakPolarHBondContact OE1-CE 3.39Å; E57-K59 IonicContact OE1-NZ 2.71Å; E57-K59 PolarHBondContact OE1-NZ 3.16Å; K59-A61 PolarHBondContact O-N 3.02Å; K59-A61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | L | 35 | Very low | 46 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 81% | 0.812 | 66% | 0.658 | S | S | * | * | trans | -62.5 | 98.4 | 147.6 | -78.8 | 154.4 | 0 | 0 | 0 | 105.4 | N58 | N58-L60 PolarHBondContact O-N 3.13Å; N58-L60 VanDerWaalsContact O-N 3.09Å | ||
| 61 | A | 34.4 | Very low | 44.5 | Very low | 166 Ų | 166 | 121.5 Ų | 121.5 | 100% | 1.372 | 67% | 0.666 | S | S | * | * | trans | -91.1 | 0 | 154.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | K59 | K59-A61 PolarHBondContact O-N 3.02Å; K59-A61 VanDerWaalsContact O-N 3.1Å |
Retrieved 61 of 61 residues in 74.3 ms
(Link to these results)