| 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 | 43.6 | Very low | 38.4 | Very low | 243 Ų | 243 | 141.6 Ų | 141.6 | 100% | 1.197 | 84% | 0.835 | S | S | * | * | 0 | 98 | 0 | -58 | -47.5 | -176.8 | 0 | 0 | 109.1 | |||||
| 2 | H | 33 | Very low | 38.4 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 83% | 0.829 | 83% | 0.831 | S | S | * | * | trans | -122.3 | 122.3 | -178.1 | -156.6 | 117.4 | 0 | 0 | 0 | 108 | S4 | H2-S4 PolarHBondContact O-N 3.17Š| ||
| 3 | C | 35.4 | Very low | 38.1 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -91.4 | 86.1 | -176.1 | -67.5 | 0 | 0 | 0 | 0 | 111 | C5 | C3-C5 PolarHBondContact O-N 3.12Å; C3-C5 VanDerWaalsContact O-N 3.1Å | ||
| 4 | S | 38.3 | Very low | 38.4 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 90.4 | 171.4 | 40.2 | 0 | 0 | 0 | 0 | 111.3 | H2 L6 | H2-S4 PolarHBondContact O-N 3.17Å; S4-L6 VanDerWaalsContact C-N 3.31Å; S4-L6 PolarHBondContact O-N 3.2Å | ||
| 5 | C | 43.1 | Very low | 38.4 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 63% | 0.628 | 80% | 0.798 | S | S | * | * | trans | -85.3 | 71.8 | 168.7 | -63.8 | 0 | 0 | 0 | 0 | 110.6 | C3 | C3-C5 PolarHBondContact O-N 3.12Å; C3-C5 VanDerWaalsContact O-N 3.1Å | ||
| 6 | L | 38.5 | Very low | 38.4 | Very low | 167 Ų | 167 | 133.2 Ų | 133.2 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -69.1 | 139 | 161.9 | -106.3 | 166.5 | 0 | 0 | 0 | 108.9 | S4 | S4-L6 VanDerWaalsContact C-N 3.31Å; S4-L6 PolarHBondContact O-N 3.2Å | ||
| 7 | A | 44.3 | Very low | 38.3 | Very low | 95 Ų | 95 | 135 Ų | 135 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -109.2 | 129.5 | 175 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | E | 33.5 | Very low | 38.4 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -131 | 132.7 | 177.4 | -161.9 | 151.3 | -154.3 | 0 | 0 | 108.1 | ||||
| 9 | G | 40.3 | Very low | 38.1 | Very low | 76 Ų | 76 | 133.5 Ų | 133.5 | 78% | 0.784 | 79% | 0.785 | S | S | * | * | trans | -91.9 | 128.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 10 | I | 35.5 | Very low | 38 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -126 | 127.4 | 163.2 | -58.7 | 179.3 | 0 | 0 | 0 | 107.5 | A12 | I10-A12 PolarHBondContact O-N 3.1Å; I10-A12 VanDerWaalsContact O-N 3.12Å | ||
| 11 | P | 37.1 | Very low | 38.5 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -72.7 | 104.6 | 179 | 28.9 | -33.3 | 0 | 0 | 0 | 110.5 | N13 | P11-N13 PolarHBondContact O-N 3.17Š| ||
| 12 | A | 37.9 | Very low | 38.4 | Very low | 95 Ų | 95 | 119.5 Ų | 119.5 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -71.2 | 114.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I10 | I10-A12 PolarHBondContact O-N 3.1Å; I10-A12 VanDerWaalsContact O-N 3.12Å | ||
| 13 | N | 34.9 | Very low | 38.9 | Very low | 146 Ų | 146 | 115.7 Ų | 115.7 | 78% | 0.781 | 72% | 0.715 | S | S | * | * | trans | -62.5 | 121.5 | 177.8 | -178.1 | 7.9 | 0 | 0 | 0 | 111.1 | P11 G15 | P11-N13 PolarHBondContact O-N 3.17Å; N13-G15 PolarHBondContact O-N 3.42Å | ||
| 14 | P | 42.4 | Very low | 39.4 | Very low | 106 Ų | 106 | 110.4 Ų | 110.4 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | trans | -80.6 | 52.2 | -176.3 | 34.7 | -37.3 | 0 | 0 | 0 | 113.3 | ||||
| 15 | G | 38.1 | Very low | 39.5 | Very low | 51 Ų | 51 | 110.3 Ų | 110.3 | 53% | 0.526 | 67% | 0.67 | S | S | . | * | trans | -81.6 | 148.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N13 | N13-G15 PolarHBondContact O-N 3.42Š| ||
| 16 | N | 38 | Very low | 39.7 | Very low | 175 Ų | 175 | 109.9 Ų | 109.9 | 94% | 0.936 | 66% | 0.656 | S | S | * | * | trans | 59.7 | 49.7 | 172.7 | -67.9 | 28.7 | 0 | 0 | 0 | 116.8 | ||||
| 17 | W | 37.8 | Very low | 40 | Very low | 164 Ų | 164 | 102.8 Ų | 102.8 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 141.9 | 146 | 64.2 | -75.3 | 0 | 0 | 0 | 109.2 | P19 | W17-P19 VanDerWaalsContact O-CD 3.27Å; W17-P19 WeakPolarHBondContact O-CD 3.24Å |
| 18 | I | 39 | Very low | 40.1 | Very low | 130 Ų | 130 | 105 Ų | 105 | 67% | 0.667 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 118.1 | -176.2 | -58.5 | 175.5 | 0 | 0 | 0 | 109.4 | G20 | I18-G20 PolarHBondContact O-N 3.26Š|
| 19 | P | 33.8 | Very low | 40.7 | Very low | 112 Ų | 112 | 99.6 Ų | 99.6 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 119.1 | 175.4 | -14.3 | 30.9 | 0 | 0 | 0 | 109.9 | W17 | W17-P19 VanDerWaalsContact O-CD 3.27Å; W17-P19 WeakPolarHBondContact O-CD 3.24Å |
| 20 | G | 36.4 | Very low | 40.9 | Very low | 56 Ų | 56 | 99.8 Ų | 99.8 | 58% | 0.577 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 149.3 | -34.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I18 A22 | I18-G20 PolarHBondContact O-N 3.26Å; G20-A22 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact O-N 3.09Å |
| 21 | L | 47.6 | Very low | 41.3 | Very low | 68 Ų | 68 | 97.5 Ų | 97.5 | 36% | 0.356 | 56% | 0.564 | S | S | . | * | trans | -85.4 | 77.1 | 173.5 | -81.7 | 165.3 | 0 | 0 | 0 | 111 | F23 M167 | L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.27Å; L21-F23 HydrophobicContact CB-CE2 3.72Å; L21-F23 HydrophobicContact CB-CZ 4.14Å; L21-F23 HydrophobicContact CD1-CE2 4.46Å; L21-F23 HydrophobicContact CD1-CZ 4.32Å; L21-F23 HydrophobicContact CD2-CZ 4.27Å; L21-F23 HydrophobicContact CG-CZ 4.49Å; L21-F23 VanDerWaalsContact O-CD2 3.3Å; L21-F23 WeakPolarHBondContact O-CD2 3.47Å; L21-F23 PolarHBondContact O-N 3.43Å; L21-M167 HydrophobicContact CD1-SD 4.24Å; L21-M167 HydrophobicContact CD2-CE 3.56Å; L21-M167 HydrophobicContact CD2-SD 4.27Å; L21-M167 HydrophobicContact CG-CE 3.78Å; L21-M167 HydrophobicContact CG-SD 3.87Å | ||
| 22 | A | 41.9 | Very low | 41.8 | Very low | 91 Ų | 91 | 92.6 Ų | 92.6 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | trans | -70 | 81.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | G20 | G20-A22 PolarHBondContact O-N 2.92Å; G20-A22 VanDerWaalsContact O-N 3.09Å | ||
| 23 | F | 42.1 | Very low | 42.3 | Very low | 99 Ų | 99 | 90.8 Ų | 90.8 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | trans | -66.4 | 134.7 | 169.4 | -62.9 | -78.7 | 0 | 0 | 0 | 109.7 | L21 A27 Y28 | L21-F23 VanDerWaalsContact C-N 3.28Å; L21-F23 HydrophobicContact CB-CD2 4.27Å; L21-F23 HydrophobicContact CB-CE2 3.72Å; L21-F23 HydrophobicContact CB-CZ 4.14Å; L21-F23 HydrophobicContact CD1-CE2 4.46Å; L21-F23 HydrophobicContact CD1-CZ 4.32Å; L21-F23 HydrophobicContact CD2-CZ 4.27Å; L21-F23 HydrophobicContact CG-CZ 4.49Å; L21-F23 VanDerWaalsContact O-CD2 3.3Å; L21-F23 WeakPolarHBondContact O-CD2 3.47Å; L21-F23 PolarHBondContact O-N 3.43Å; F23-A27 HydrophobicContact CB-CB 4.15Å; F23-Y28 HydrophobicContact CB-CD2 3.98Å; F23-Y28 HydrophobicContact CB-CE2 3.81Å; F23-Y28 HydrophobicContact CD2-CE2 4.01Å; F23-Y28 HydrophobicContact CG-CE2 4.42Å; F23-Y28 WeakPolarHBondContact O-CD2 3.3Å | ||
| 24 | P | 47.2 | Very low | 43 | Very low | 9 Ų | 9 | 88.9 Ų | 88.9 | 6% | 0.058 | 51% | 0.51 | C | S | . | . | trans | -61.4 | 158.8 | -174 | -30.9 | 39.2 | 0 | 0 | 0 | 115.9 | W26 A27 Y28 N128 Y129 W132 | P24-W26 PolarHBondContact O-N 2.98Å; P24-A27 WeakPolarHBondContact O-CA 3.38Å; P24-A27 WeakPolarHBondContact O-CB 3.48Å; P24-A27 PolarHBondContact O-N 2.77Å; P24-Y28 PolarHBondContact O-N 2.63Å; P24-N128 HydrophobicContact CB-CB 4.41Å; P24-N128 WeakPolarHBondContact CB-O 3.36Å; P24-N128 WeakPolarHBondContact CB-OD1 3.15Å; P24-N128 HydrophobicContact CG-CB 3.83Å; P24-N128 WeakPolarHBondContact CG-O 3.32Å; P24-Y129 HydrophobicContact CG-CD2 3.76Å; P24-Y129 HydrophobicContact CG-CE2 4.16Å; P24-W132 HydrophobicContact CB-CZ2 3.57Å; P24-W132 HydrophobicContact CG-CZ2 3.88Å | ||
| 25 | D | 38.9 | Very low | 43.6 | Very low | 104 Ų | 104 | 86.5 Ų | 86.5 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -11.1 | -172.4 | -80.3 | 27.2 | 0 | 0 | 0 | 116.5 | Y28 K29 | D25-Y28 CarbonylContact O-C 3.43Å; D25-K29 VanDerWaalsContact O-CE 3.31Å; D25-K29 WeakPolarHBondContact O-CE 3.01Å; D25-K29 WeakPolarHBondContact O-CG 3.48Å; D25-K29 PolarHBondContact O-N 3Å; D25-K29 PolarHBondContact O-NZ 3.44Å |
| 26 | W | 47.9 | Very low | 44.8 | Very low | 85 Ų | 85 | 85.6 Ų | 85.6 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -27.6 | 169.1 | 73.6 | -117.6 | 0 | 0 | 0 | 113.4 | P24 W42 H43 V127 N128 | P24-W26 PolarHBondContact O-N 2.98Å; W26-W42 AromaticContact CH2-CH2 3.64Å; W26-W42 HydrophobicContact CH2-CH2 3.64Å; W26-W42 AromaticContact CH2-CZ2 3.58Å; W26-W42 HydrophobicContact CH2-CZ2 3.58Å; W26-W42 AromaticContact CZ3-CH2 3.67Å; W26-W42 HydrophobicContact CZ3-CH2 3.67Å; W26-W42 AromaticContact CZ3-CZ2 3.48Å; W26-W42 HydrophobicContact CZ3-CZ2 3.48Å; W26-W42 VanDerWaalsContact CZ3-CZ2 3.48Å; W26-H43 AromaticContact CZ3-CE1 3.83Å; W26-H43 AromaticContact CZ3-NE2 3.7Å; W26-V127 HydrophobicContact CZ2-CG1 4.1Å; W26-V127 WeakPolarHBondContact CZ2-O 3.02Å; W26-V127 PolarHBondContact NE1-O 3.34Å; W26-N128 HydrophobicContact CH2-CB 4.47Å; W26-N128 HydrophobicContact CZ2-CB 3.83Å; W26-N128 VanDerWaalsContact CZ2-OD1 3.28Å; W26-N128 WeakPolarHBondContact CZ2-OD1 3.27Å; W26-N128 PolarHBondContact NE1-OD1 2.68Å |
| 27 | A | 44.8 | Very low | 46.4 | Very low | 18 Ų | 18 | 84.6 Ų | 84.6 | 15% | 0.149 | 47% | 0.473 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -46.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F23 P24 K29 S32 | F23-A27 HydrophobicContact CB-CB 4.15Å; P24-A27 WeakPolarHBondContact O-CA 3.38Å; P24-A27 WeakPolarHBondContact O-CB 3.48Å; P24-A27 PolarHBondContact O-N 2.77Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.26Å; A27-S32 VanDerWaalsContact O-CB 3.32Å; A27-S32 WeakPolarHBondContact O-CB 3.48Å |
| 28 | Y | 46.3 | Very low | 48.5 | Very low | 140 Ų | 140 | 82.9 Ų | 82.9 | 55% | 0.549 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 50.3 | 171.5 | -74 | -59.3 | 0 | 0 | 0 | 113.7 | F23 P24 D25 | F23-Y28 HydrophobicContact CB-CD2 3.98Å; F23-Y28 HydrophobicContact CB-CE2 3.81Å; F23-Y28 HydrophobicContact CD2-CE2 4.01Å; F23-Y28 HydrophobicContact CG-CE2 4.42Å; F23-Y28 WeakPolarHBondContact O-CD2 3.3Å; P24-Y28 PolarHBondContact O-N 2.63Å; D25-Y28 CarbonylContact O-C 3.43Å |
| 29 | K | 46.6 | Very low | 50.8 | Low | 84 Ų | 84 | 77 Ų | 77 | 37% | 0.365 | 44% | 0.442 | S | S | . | . | trans | -69.9 | 142.8 | 155.7 | -74.5 | -70.1 | 165.2 | -106.9 | 0 | 109.6 | D25 A27 E31 S32 | D25-K29 VanDerWaalsContact O-CE 3.31Å; D25-K29 WeakPolarHBondContact O-CE 3.01Å; D25-K29 WeakPolarHBondContact O-CG 3.48Å; D25-K29 PolarHBondContact O-N 3Å; D25-K29 PolarHBondContact O-NZ 3.44Å; A27-K29 VanDerWaalsContact C-N 3.35Å; A27-K29 PolarHBondContact O-N 3.26Å; K29-E31 HydrophobicContact CB-CG 4.13Å; K29-E31 PolarHBondContact O-N 3.24Å; K29-S32 WeakPolarHBondContact O-CA 3.47Å; K29-S32 VanDerWaalsContact O-CB 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.32Å; K29-S32 PolarHBondContact O-N 2.81Å | ||
| 30 | A | 43.9 | Very low | 53.6 | Low | 80 Ų | 80 | 76 Ų | 76 | 66% | 0.661 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -60.4 | -34.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S32 S33 | A30-S32 PolarHBondContact O-N 3.1Å; A30-S33 VanDerWaalsContact O-CB 3.29Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-OG 3.01Å |
| 31 | E | 45.3 | Very low | 56.4 | Low | 107 Ų | 107 | 73.5 Ų | 73.5 | 50% | 0.5 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -72.5 | -5.1 | 171.4 | 67.4 | -84.7 | -163.9 | 0 | 0 | 114.4 | K29 S36 | K29-E31 HydrophobicContact CB-CG 4.13Å; K29-E31 PolarHBondContact O-N 3.24Å; E31-S36 WeakPolarHBondContact O-CB 3.37Å; E31-S36 PolarHBondContact O-OG 3.41Å |
| 32 | S | 46.6 | Very low | 58.6 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 17% | 0.168 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -95.1 | -5.7 | 169 | -68.6 | 0 | 0 | 0 | 0 | 113.6 | A27 K29 A30 | A27-S32 VanDerWaalsContact O-CB 3.32Å; A27-S32 WeakPolarHBondContact O-CB 3.48Å; K29-S32 WeakPolarHBondContact O-CA 3.47Å; K29-S32 VanDerWaalsContact O-CB 3.29Å; K29-S32 WeakPolarHBondContact O-CB 3.32Å; K29-S32 PolarHBondContact O-N 2.81Å; A30-S32 PolarHBondContact O-N 3.1Å |
| 33 | S | 48.4 | Very low | 61 | Low | 58 Ų | 58 | 67.7 Ų | 67.7 | 41% | 0.406 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -48.9 | 148.4 | -173.3 | -62.9 | 0 | 0 | 0 | 0 | 114.4 | A30 G35 S36 | A30-S33 VanDerWaalsContact O-CB 3.29Å; A30-S33 WeakPolarHBondContact O-CB 3.5Å; A30-S33 PolarHBondContact O-N 3.43Å; A30-S33 PolarHBondContact O-OG 3.01Å; S33-G35 PolarHBondContact O-N 3.16Å; S33-S36 WeakPolarHBondContact O-CB 3.44Å; S33-S36 PolarHBondContact O-N 2.94Å |
| 34 | P | 49.7 | Very low | 63.5 | Low | 106 Ų | 106 | 63.2 Ų | 63.2 | 69% | 0.688 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 85.8 | 176.3 | -24.5 | 35.6 | 0 | 0 | 0 | 113.8 | ||
| 35 | G | 54.8 | Low | 65.8 | Low | 56 Ų | 56 | 62.8 Ų | 62.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 144.1 | -23.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S33 | S33-G35 PolarHBondContact O-N 3.16Š|
| 36 | S | 64 | Low | 68.4 | Low | 31 Ų | 31 | 59.9 Ų | 59.9 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | trans | -62.1 | 137.1 | 173.7 | 175.3 | 0 | 0 | 0 | 0 | 112 | E31 S33 Q38 I39 | E31-S36 WeakPolarHBondContact O-CB 3.37Å; E31-S36 PolarHBondContact O-OG 3.41Å; S33-S36 WeakPolarHBondContact O-CB 3.44Å; S33-S36 PolarHBondContact O-N 2.94Å; S36-Q38 PolarHBondContact O-N 3.48Å; S36-Q38 PolarHBondContact OG-N 2.88Å; S36-I39 WeakPolarHBondContact O-CG2 3.22Å | ||
| 37 | R | 70.6 | Confident | 70.6 | Confident | 154 Ų | 154 | 57 Ų | 57 | 58% | 0.581 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -10 | 172.2 | -61.8 | -177.5 | -176.9 | -147.2 | -0.3 | 112.7 | K84 C85 | R37-K84 WeakPolarHBondContact O-CD 3.49Å; R37-K84 WeakPolarHBondContact O-CE 3.21Å; R37-K84 PolarHBondContact O-NZ 2.8Å; R37-C85 VanDerWaalsContact CZ-SG 3.52Å |
| 38 | Q | 82.1 | Confident | 73 | Confident | 129 Ų | 129 | 56.3 Ų | 56.3 | 60% | 0.603 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -7.4 | -177.1 | -176.6 | 59.6 | -9 | 0 | 0 | 114.4 | S36 | S36-Q38 PolarHBondContact O-N 3.48Å; S36-Q38 PolarHBondContact OG-N 2.88Å |
| 39 | I | 88.3 | Confident | 75.3 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | trans | -48.2 | 144.2 | 174.7 | -169.3 | 172.1 | 0 | 0 | 0 | 113.5 | S36 H43 F44 W80 R83 K84 | S36-I39 WeakPolarHBondContact O-CG2 3.22Å; I39-H43 HydrophobicContact CD1-CB 4.24Å; I39-H43 HydrophobicContact CG1-CB 3.94Å; I39-F44 HydrophobicContact CD1-CB 4.05Å; I39-F44 HydrophobicContact CG1-CB 4.44Å; I39-W80 HydrophobicContact CG2-CZ3 4.09Å; I39-W80 WeakPolarHBondContact O-CH2 3.49Å; I39-R83 HydrophobicContact CG2-CG 3.67Å; I39-K84 HydrophobicContact CG2-CD 4.2Å; I39-K84 PolarHBondContact O-NZ 3.45Å | ||
| 40 | Q | 92.3 | Very high | 77.3 | Confident | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | trans | -91.8 | 153.3 | 177.2 | -55.2 | -174.5 | 18.1 | 0 | 0 | 111.9 | W42 H43 F44 | Q40-W42 VanDerWaalsContact C-N 3.31Å; Q40-W42 PolarHBondContact O-N 3.08Å; Q40-H43 PolarHBondContact O-N 2.75Å; Q40-F44 PolarHBondContact O-N 3Å | ||
| 41 | L | 94.9 | Very high | 79.6 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.01 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.6 | -38.8 | -174.4 | 173.4 | 64.3 | 0 | 0 | 0 | 113.1 | F44 I45 W80 L94 A97 L98 Y101 | L41-F44 HydrophobicContact CD1-CD1 4.21Å; L41-F44 PolarHBondContact O-N 2.83Å; L41-I45 HydrophobicContact CD1-CD1 3.94Å; L41-I45 HydrophobicContact CD1-CG1 4.21Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 2.6Å; L41-W80 HydrophobicContact CB-CH2 3.99Å; L41-W80 HydrophobicContact CB-CZ2 3.74Å; L41-W80 HydrophobicContact CD1-CD2 3.77Å; L41-W80 HydrophobicContact CD1-CE3 4.2Å; L41-W80 HydrophobicContact CD1-CG 3.97Å; L41-W80 HydrophobicContact CD1-CZ2 4.34Å; L41-W80 VanDerWaalsContact N-CH2 3.33Å; L41-L94 HydrophobicContact CD1-CD1 3.89Å; L41-L94 HydrophobicContact CD1-CD2 4.18Å; L41-L94 HydrophobicContact CD1-CG 3.82Å; L41-L94 HydrophobicContact CD2-CD2 3.96Å; L41-L94 HydrophobicContact CD2-CG 3.86Å; L41-A97 HydrophobicContact CD2-CB 3.65Å; L41-L98 HydrophobicContact CD2-CD2 3.88Å; L41-L98 HydrophobicContact CD2-CG 4.25Å; L41-L98 HydrophobicContact CG-CD2 4.46Å; L41-Y101 HydrophobicContact CB-CE2 4.09Å; L41-Y101 HydrophobicContact CD2-CE2 4.24Å; L41-Y101 HydrophobicContact CG-CE2 4.36Å |
| 42 | W | 94.1 | Very high | 81.7 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.8 | -36.8 | -178 | 70.9 | -91.7 | 0 | 0 | 0 | 112.8 | W26 Q40 F44 I45 L46 Y101 I106 F119 L124 | W26-W42 AromaticContact CH2-CH2 3.64Å; W26-W42 HydrophobicContact CH2-CH2 3.64Å; W26-W42 AromaticContact CH2-CZ2 3.58Å; W26-W42 HydrophobicContact CH2-CZ2 3.58Å; W26-W42 AromaticContact CZ3-CH2 3.67Å; W26-W42 HydrophobicContact CZ3-CH2 3.67Å; W26-W42 AromaticContact CZ3-CZ2 3.48Å; W26-W42 HydrophobicContact CZ3-CZ2 3.48Å; W26-W42 VanDerWaalsContact CZ3-CZ2 3.48Å; Q40-W42 VanDerWaalsContact C-N 3.31Å; Q40-W42 PolarHBondContact O-N 3.08Å; W42-F44 VanDerWaalsContact C-N 3.35Å; W42-I45 PolarHBondContact O-N 2.61Å; W42-L46 HydrophobicContact CE3-CD1 3.79Å; W42-L46 HydrophobicContact CZ3-CD1 3.79Å; W42-L46 PolarHBondContact O-N 2.79Å; W42-L46 VanDerWaalsContact O-N 3.08Å; W42-Y101 HydrophobicContact CB-CD2 4.34Å; W42-Y101 HydrophobicContact CB-CE2 3.94Å; W42-Y101 AromaticContact CD1-CE1 3.88Å; W42-Y101 AromaticContact CD1-CZ 3.65Å; W42-Y101 HydrophobicContact CG-CE2 4.49Å; W42-I106 HydrophobicContact CB-CG2 3.97Å; W42-I106 HydrophobicContact CD2-CG2 4.14Å; W42-I106 HydrophobicContact CG-CG2 3.87Å; W42-F119 HydrophobicContact CB-CE1 4.23Å; W42-F119 HydrophobicContact CE3-CE1 4.45Å; W42-L124 HydrophobicContact CE3-CD2 4.28Å; W42-L124 HydrophobicContact CH2-CD2 3.85Å; W42-L124 HydrophobicContact CZ2-CD2 4.28Å; W42-L124 HydrophobicContact CZ3-CD1 4.4Å; W42-L124 HydrophobicContact CZ3-CD2 3.86Å |
| 43 | H | 92 | Very high | 84 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 168.8 | -70.6 | 123.9 | 0 | 0 | 0 | 111 | W26 I39 Q40 I45 L46 E47 | W26-H43 AromaticContact CZ3-CE1 3.83Å; W26-H43 AromaticContact CZ3-NE2 3.7Å; I39-H43 HydrophobicContact CD1-CB 4.24Å; I39-H43 HydrophobicContact CG1-CB 3.94Å; Q40-H43 PolarHBondContact O-N 2.75Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.07Å; H43-L46 PolarHBondContact O-N 2.82Å; H43-E47 PolarHBondContact O-N 3Å |
| 44 | F | 95.1 | Very high | 86.2 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.9 | -38 | 177.3 | 169.4 | -99.9 | 0 | 0 | 0 | 112.7 | I39 Q40 L41 W42 E47 L48 L79 W80 R83 | I39-F44 HydrophobicContact CD1-CB 4.05Å; I39-F44 HydrophobicContact CG1-CB 4.44Å; Q40-F44 PolarHBondContact O-N 3Å; L41-F44 HydrophobicContact CD1-CD1 4.21Å; L41-F44 PolarHBondContact O-N 2.83Å; W42-F44 VanDerWaalsContact C-N 3.35Å; F44-E47 WeakPolarHBondContact O-CB 3.33Å; F44-E47 PolarHBondContact O-N 3Å; F44-L48 HydrophobicContact CD1-CD1 4.34Å; F44-L48 HydrophobicContact CE1-CD1 3.59Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.13Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.66Å; F44-L48 HydrophobicContact CZ-CD2 4Å; F44-L48 HydrophobicContact CZ-CG 3.91Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.81Å; F44-L79 HydrophobicContact CZ-CB 3.82Å; F44-W80 HydrophobicContact CB-CE3 3.87Å; F44-W80 HydrophobicContact CB-CZ3 3.64Å; F44-W80 HydrophobicContact CD1-CB 4.26Å; F44-W80 HydrophobicContact CD1-CD2 4.19Å; F44-W80 AromaticContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CE3 3.47Å; F44-W80 VanDerWaalsContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CZ3 4.15Å; F44-W80 HydrophobicContact CD2-CE3 4.13Å; F44-W80 HydrophobicContact CD2-CZ3 4.49Å; F44-W80 HydrophobicContact CE1-CB 3.69Å; F44-W80 HydrophobicContact CE1-CD2 4.48Å; F44-W80 AromaticContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CG 4.42Å; F44-W80 AromaticContact CG-CE3 3.53Å; F44-W80 HydrophobicContact CG-CE3 3.53Å; F44-W80 AromaticContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CZ-CB 4.2Å; F44-R83 HydrophobicContact CD2-CB 4.33Å; F44-R83 HydrophobicContact CD2-CG 4.11Å; F44-R83 HydrophobicContact CE2-CB 4.09Å; F44-R83 HydrophobicContact CE2-CG 4.34Å |
| 45 | I | 96.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 174.6 | -76.1 | 167.8 | 0 | 0 | 0 | 111.5 | L41 W42 H43 E47 L48 L49 I58 F68 L98 F119 | L41-I45 HydrophobicContact CD1-CD1 3.94Å; L41-I45 HydrophobicContact CD1-CG1 4.21Å; L41-I45 HydrophobicContact CG-CD1 3.92Å; L41-I45 WeakPolarHBondContact O-CG1 3.43Å; L41-I45 PolarHBondContact O-N 2.6Å; W42-I45 PolarHBondContact O-N 2.61Å; H43-I45 VanDerWaalsContact C-N 3.33Å; H43-I45 PolarHBondContact O-N 3.07Å; I45-E47 VanDerWaalsContact C-N 3.34Å; I45-L48 PolarHBondContact O-N 2.93Å; I45-L49 HydrophobicContact CG2-CD1 3.74Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.89Å; I45-I58 HydrophobicContact CG2-CD1 3.86Å; I45-F68 HydrophobicContact CG2-CD2 4.34Å; I45-F68 HydrophobicContact CG2-CE1 4.35Å; I45-F68 HydrophobicContact CG2-CE2 3.72Å; I45-F68 HydrophobicContact CG2-CZ 3.72Å; I45-L98 HydrophobicContact CD1-CD2 3.65Å; I45-F119 HydrophobicContact CB-CZ 4.43Å; I45-F119 HydrophobicContact CG2-CE2 3.97Å; I45-F119 HydrophobicContact CG2-CZ 3.83Å |
| 46 | L | 93.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 63.4 Ų | 63.4 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 172.9 | -69.4 | 171.4 | 0 | 0 | 0 | 111.6 | W42 H43 L48 L49 Q50 W60 F119 F121 | W42-L46 HydrophobicContact CE3-CD1 3.79Å; W42-L46 HydrophobicContact CZ3-CD1 3.79Å; W42-L46 PolarHBondContact O-N 2.79Å; W42-L46 VanDerWaalsContact O-N 3.08Å; H43-L46 PolarHBondContact O-N 2.82Å; L46-L48 PolarHBondContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-Q50 PolarHBondContact O-N 3.01Å; L46-W60 HydrophobicContact CD2-CH2 3.82Å; L46-W60 HydrophobicContact CD2-CZ2 4.1Å; L46-F119 HydrophobicContact CD1-CE1 4.47Å; L46-F119 HydrophobicContact CD1-CZ 4.44Å; L46-F119 HydrophobicContact CD2-CD2 3.88Å; L46-F119 HydrophobicContact CD2-CE1 4.25Å; L46-F119 HydrophobicContact CD2-CE2 3.46Å; L46-F119 VanDerWaalsContact CD2-CE2 3.46Å; L46-F119 HydrophobicContact CD2-CG 4.44Å; L46-F119 HydrophobicContact CD2-CZ 3.67Å; L46-F119 HydrophobicContact CG-CE1 4.2Å; L46-F119 HydrophobicContact CG-CE2 4.02Å; L46-F119 HydrophobicContact CG-CZ 3.69Å; L46-F121 HydrophobicContact CD2-CE1 4.39Å; L46-F121 HydrophobicContact CD2-CZ 4.44Å |
| 47 | E | 92.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 62 Ų | 62 | 11% | 0.112 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.9 | -164.9 | -156 | 129.5 | 0 | 0 | 112.3 | H43 F44 I45 K51 R83 | H43-E47 PolarHBondContact O-N 3Å; F44-E47 WeakPolarHBondContact O-CB 3.33Å; F44-E47 PolarHBondContact O-N 3Å; I45-E47 VanDerWaalsContact C-N 3.34Å; E47-K51 WeakPolarHBondContact O-CD 3.43Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 IonicContact OE1-NZ 2.75Å; E47-K51 PolarHBondContact OE1-NZ 2.82Å; E47-R83 IonicContact OE1-CZ 3.32Å; E47-R83 IonicContact OE1-NH1 2.74Å; E47-R83 IonicContact OE1-NH2 3.15Å; E47-R83 PolarHBondContact OE1-NH2 2.92Å; E47-R83 IonicContact OE2-CZ 2.61Å; E47-R83 VanDerWaalsContact OE2-CZ 3.25Å; E47-R83 IonicContact OE2-NH1 3.2Å; E47-R83 PolarHBondContact OE2-NH1 3.2Å; E47-R83 IonicContact OE2-NH2 2.67Å; E47-R83 PolarHBondContact OE2-NH2 2.97Å |
| 48 | L | 95.3 | Very high | 93.1 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 173.5 | -65 | -176 | 0 | 0 | 0 | 111.8 | F44 I45 L46 Q50 K51 F54 I58 V76 L79 | F44-L48 HydrophobicContact CD1-CD1 4.34Å; F44-L48 HydrophobicContact CE1-CD1 3.59Å; F44-L48 HydrophobicContact CE1-CG 4.1Å; F44-L48 HydrophobicContact CE2-CD1 4.46Å; F44-L48 HydrophobicContact CE2-CD2 4.13Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.66Å; F44-L48 HydrophobicContact CZ-CD2 4Å; F44-L48 HydrophobicContact CZ-CG 3.91Å; F44-L48 WeakPolarHBondContact O-CG 3.4Å; F44-L48 PolarHBondContact O-N 2.81Å; I45-L48 PolarHBondContact O-N 2.93Å; L46-L48 PolarHBondContact O-N 3.11Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.23Å; L48-K51 PolarHBondContact O-N 3.38Å; L48-F54 HydrophobicContact CB-CD2 4.45Å; L48-F54 HydrophobicContact CD2-CD2 3.5Å; L48-F54 VanDerWaalsContact CD2-CD2 3.5Å; L48-F54 HydrophobicContact CD2-CE2 3.63Å; L48-F54 HydrophobicContact CD2-CG 3.99Å; L48-F54 HydrophobicContact CD2-CZ 4.22Å; L48-I58 HydrophobicContact CB-CG2 3.66Å; L48-I58 HydrophobicContact CD1-CG2 4.23Å; L48-V76 HydrophobicContact CD1-CG1 4.42Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; L48-L79 HydrophobicContact CD1-CD1 4.46Å; L48-L79 HydrophobicContact CD2-CD1 4.26Å |
| 49 | L | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 6% | 0.058 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71 | -21.7 | -179.3 | -80.4 | 166.9 | 0 | 0 | 0 | 114.4 | I45 L46 I58 W60 F68 F119 | I45-L49 HydrophobicContact CG2-CD1 3.74Å; I45-L49 WeakPolarHBondContact O-CB 3.49Å; I45-L49 WeakPolarHBondContact O-CD1 3.43Å; I45-L49 VanDerWaalsContact O-CG 3.31Å; I45-L49 WeakPolarHBondContact O-CG 3.26Å; I45-L49 PolarHBondContact O-N 2.89Å; L46-L49 PolarHBondContact O-N 3.08Å; L49-I58 HydrophobicContact CD1-CD1 4.39Å; L49-I58 HydrophobicContact CD2-CD1 4.37Å; L49-I58 HydrophobicContact CD2-CG1 3.9Å; L49-I58 HydrophobicContact CG-CD1 4.1Å; L49-I58 HydrophobicContact CG-CG1 4.17Å; L49-W60 HydrophobicContact CB-CZ2 3.78Å; L49-W60 HydrophobicContact CD1-CD2 4.42Å; L49-W60 HydrophobicContact CD1-CE3 4.42Å; L49-W60 HydrophobicContact CD1-CH2 3.78Å; L49-W60 HydrophobicContact CD1-CZ2 3.77Å; L49-W60 HydrophobicContact CD1-CZ3 4.11Å; L49-W60 HydrophobicContact CD2-CD2 4.16Å; L49-W60 HydrophobicContact CD2-CG 4.29Å; L49-W60 HydrophobicContact CG-CZ2 4.28Å; L49-W60 PolarHBondContact O-NE1 3.14Å; L49-F68 HydrophobicContact CD1-CB 3.76Å; L49-F68 HydrophobicContact CD1-CD1 4.09Å; L49-F68 HydrophobicContact CD1-CD2 4.01Å; L49-F68 HydrophobicContact CD1-CG 3.7Å; L49-F68 HydrophobicContact CD2-CB 3.89Å; L49-F68 HydrophobicContact CG-CB 4.5Å; L49-F119 HydrophobicContact CD1-CE2 3.99Å |
| 50 | Q | 90.4 | Very high | 94.1 | Very high | 163 Ų | 163 | 53.1 Ų | 53.1 | 76% | 0.762 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -80 | -21.4 | 172.8 | -169.7 | 174.9 | 14.1 | 0 | 0 | 112.3 | L46 L48 | L46-Q50 PolarHBondContact O-N 3.01Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.23Å |
| 51 | K | 90.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 52 Ų | 52 | 33% | 0.33 | 24% | 0.235 | S | C | . | . | trans | -95.7 | 112.7 | -172.1 | -79.2 | 174 | 172.1 | -176.7 | 0 | 111.5 | E47 L48 E53 F54 | E47-K51 WeakPolarHBondContact O-CD 3.43Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 IonicContact OE1-NZ 2.75Å; E47-K51 PolarHBondContact OE1-NZ 2.82Å; L48-K51 PolarHBondContact O-N 3.38Å; K51-E53 HydrophobicContact CB-CG 3.9Å; K51-E53 PolarHBondContact O-N 2.79Å; K51-F54 HydrophobicContact CB-CD2 3.78Å; K51-F54 HydrophobicContact CB-CE2 4.37Å; K51-F54 HydrophobicContact CD-CD2 4.19Å; K51-F54 HydrophobicContact CD-CE2 4.02Å; K51-F54 PolarHBondContact O-N 3.2Å | ||
| 52 | E | 90.6 | Very high | 93.9 | Very high | 130 Ų | 130 | 59 Ų | 59 | 61% | 0.607 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -59.9 | -34 | -175 | -165.9 | 158.3 | -111.8 | 0 | 0 | 113.1 | F54 R55 | E52-F54 PolarHBondContact O-N 3.27Å; E52-F54 VanDerWaalsContact O-N 3.14Å; E52-R55 WeakPolarHBondContact O-CB 3.45Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 IonicContact OE1-CZ 3.06Å; E52-R55 IonicContact OE1-NH1 2.63Å; E52-R55 PolarHBondContact OE1-NH1 3.13Å; E52-R55 IonicContact OE1-NH2 3.96Å; E52-R55 PolarHBondContact OE1-NH2 3.27Å |
| 53 | E | 94 | Very high | 93.3 | Very high | 122 Ų | 122 | 62.2 Ų | 62.2 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -49.4 | -35.5 | 171.4 | 52.6 | 176.8 | -171.3 | 0 | 0 | 113.5 | K51 H56 | K51-E53 HydrophobicContact CB-CG 3.9Å; K51-E53 PolarHBondContact O-N 2.79Å; E53-H56 PolarHBondContact O-CE1 2.82Å; E53-H56 PolarHBondContact O-ND1 2.91Å |
| 54 | F | 94.3 | Very high | 92.9 | Very high | 33 Ų | 33 | 64.7 Ų | 64.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -92.6 | 4.9 | -177.1 | -64.1 | -59.1 | 0 | 0 | 0 | 114.6 | L48 K51 E52 H56 V57 I58 L79 | L48-F54 HydrophobicContact CB-CD2 4.45Å; L48-F54 HydrophobicContact CD2-CD2 3.5Å; L48-F54 VanDerWaalsContact CD2-CD2 3.5Å; L48-F54 HydrophobicContact CD2-CE2 3.63Å; L48-F54 HydrophobicContact CD2-CG 3.99Å; L48-F54 HydrophobicContact CD2-CZ 4.22Å; K51-F54 HydrophobicContact CB-CD2 3.78Å; K51-F54 HydrophobicContact CB-CE2 4.37Å; K51-F54 HydrophobicContact CD-CD2 4.19Å; K51-F54 HydrophobicContact CD-CE2 4.02Å; K51-F54 PolarHBondContact O-N 3.2Å; E52-F54 PolarHBondContact O-N 3.27Å; E52-F54 VanDerWaalsContact O-N 3.14Å; F54-H56 PolarHBondContact O-N 3.19Å; F54-V57 HydrophobicContact CD1-CG2 4.42Å; F54-V57 WeakPolarHBondContact O-CA 3.37Å; F54-V57 WeakPolarHBondContact O-CB 3.44Å; F54-V57 PolarHBondContact O-N 2.99Å; F54-I58 HydrophobicContact CB-CG2 4.35Å; F54-I58 PolarHBondContact O-N 2.71Å; F54-I58 VanDerWaalsContact O-O 3.06Å; F54-L79 HydrophobicContact CD1-CD1 3.89Å; F54-L79 HydrophobicContact CE1-CD1 3.63Å; F54-L79 HydrophobicContact CE1-CD2 4.21Å; F54-L79 HydrophobicContact CZ-CD1 4.27Å; F54-L79 HydrophobicContact CZ-CD2 4.41Å |
| 55 | R | 94.5 | Very high | 92.4 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 51% | 0.506 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.1 | -179.9 | -80.4 | -171.1 | -178.3 | 149.7 | 13.5 | 115.2 | E52 I58 K71 | E52-R55 WeakPolarHBondContact O-CB 3.45Å; E52-R55 PolarHBondContact O-N 3.2Å; E52-R55 VanDerWaalsContact O-N 3.08Å; E52-R55 IonicContact OE1-CZ 3.06Å; E52-R55 IonicContact OE1-NH1 2.63Å; E52-R55 PolarHBondContact OE1-NH1 3.13Å; E52-R55 IonicContact OE1-NH2 3.96Å; E52-R55 PolarHBondContact OE1-NH2 3.27Å; R55-I58 WeakPolarHBondContact CA-O 3.45Å; R55-K71 PolarHBondContact O-NZ 3.43Å |
| 56 | H | 95.6 | Very high | 92.1 | Very high | 135 Ų | 135 | 70.9 Ų | 70.9 | 63% | 0.625 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -27.2 | 172.3 | 65.8 | -82.2 | 0 | 0 | 0 | 112.8 | E53 F54 K71 | E53-H56 PolarHBondContact O-CE1 2.82Å; E53-H56 PolarHBondContact O-ND1 2.91Å; F54-H56 PolarHBondContact O-N 3.19Å; H56-K71 WeakPolarHBondContact O-CB 3.2Å; H56-K71 WeakPolarHBondContact O-CD 3.36Å |
| 57 | V | 97.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -45.8 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | F54 K71 D72 E75 V76 | F54-V57 HydrophobicContact CD1-CG2 4.42Å; F54-V57 WeakPolarHBondContact O-CA 3.37Å; F54-V57 WeakPolarHBondContact O-CB 3.44Å; F54-V57 PolarHBondContact O-N 2.99Å; V57-K71 WeakPolarHBondContact O-CA 3.27Å; V57-K71 WeakPolarHBondContact O-CB 3.36Å; V57-K71 PolarHBondContact O-N 3.23Å; V57-D72 HydrophobicContact CG1-CB 4.38Å; V57-D72 PolarHBondContact O-N 2.86Å; V57-E75 HydrophobicContact CB-CG 4.41Å; V57-E75 HydrophobicContact CG1-CB 4.11Å; V57-E75 HydrophobicContact CG1-CG 3.9Å; V57-E75 HydrophobicContact CG2-CB 4.26Å; V57-E75 HydrophobicContact CG2-CG 3.56Å; V57-V76 HydrophobicContact CG1-CB 4.47Å; V57-V76 HydrophobicContact CG1-CG2 3.41Å; V57-V76 VanDerWaalsContact CG1-CG2 3.41Å |
| 58 | I | 97.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 136.4 | -175.8 | -168.4 | 177.4 | 0 | 0 | 0 | 109.8 | I45 L48 L49 F54 R55 F68 V69 I70 V76 | I45-I58 HydrophobicContact CG2-CD1 3.86Å; L48-I58 HydrophobicContact CB-CG2 3.66Å; L48-I58 HydrophobicContact CD1-CG2 4.23Å; L49-I58 HydrophobicContact CD1-CD1 4.39Å; L49-I58 HydrophobicContact CD2-CD1 4.37Å; L49-I58 HydrophobicContact CD2-CG1 3.9Å; L49-I58 HydrophobicContact CG-CD1 4.1Å; L49-I58 HydrophobicContact CG-CG1 4.17Å; F54-I58 HydrophobicContact CB-CG2 4.35Å; F54-I58 PolarHBondContact O-N 2.71Å; F54-I58 VanDerWaalsContact O-O 3.06Å; R55-I58 WeakPolarHBondContact CA-O 3.45Å; I58-F68 HydrophobicContact CD1-CD2 3.95Å; I58-F68 HydrophobicContact CD1-CE2 4.08Å; I58-F68 HydrophobicContact CG1-CD2 4.14Å; I58-V69 WeakPolarHBondContact CA-O 3.47Å; I58-I70 HydrophobicContact CD1-CG1 3.74Å; I58-I70 HydrophobicContact CG1-CG1 3.91Å; I58-V76 HydrophobicContact CB-CG2 4.16Å; I58-V76 HydrophobicContact CD1-CG2 4.46Å |
| 59 | A | 96.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 68.9 Ų | 68.9 | 11% | 0.107 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 153.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F68 V69 | A59-F68 CarbonylContact O-C 3.59Å; A59-F68 VanDerWaalsContact O-CA 3.26Å; A59-F68 WeakPolarHBondContact O-CA 3.41Å; A59-F68 WeakPolarHBondContact O-CB 3.46Å; A59-V69 PolarHBondContact N-O 2.63Å; A59-V69 PolarHBondContact O-N 2.82Å |
| 60 | W | 95.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 68.4 Ų | 68.4 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 148.2 | 162.6 | -61 | 111.5 | 0 | 0 | 0 | 110.4 | L46 L49 F68 F119 F121 | L46-W60 HydrophobicContact CD2-CH2 3.82Å; L46-W60 HydrophobicContact CD2-CZ2 4.1Å; L49-W60 HydrophobicContact CB-CZ2 3.78Å; L49-W60 HydrophobicContact CD1-CD2 4.42Å; L49-W60 HydrophobicContact CD1-CE3 4.42Å; L49-W60 HydrophobicContact CD1-CH2 3.78Å; L49-W60 HydrophobicContact CD1-CZ2 3.77Å; L49-W60 HydrophobicContact CD1-CZ3 4.11Å; L49-W60 HydrophobicContact CD2-CD2 4.16Å; L49-W60 HydrophobicContact CD2-CG 4.29Å; L49-W60 HydrophobicContact CG-CZ2 4.28Å; L49-W60 PolarHBondContact O-NE1 3.14Å; W60-F68 HydrophobicContact CE3-CB 3.86Å; W60-F68 HydrophobicContact CZ3-CB 4.12Å; W60-F68 HydrophobicContact CZ3-CD1 4.3Å; W60-F119 AromaticContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CE2 4.07Å; W60-F119 AromaticContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CE2 4.44Å; W60-F121 HydrophobicContact CH2-CE2 4.41Å; W60-F121 AromaticContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CZ3-CZ 4.37Å |
| 61 | Q | 94.1 | Very high | 93.1 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 31% | 0.308 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -87.6 | 136.4 | 172 | -72.1 | -74.1 | 28.3 | 0 | 0 | 110.2 | E64 E67 V69 T116 | Q61-E64 HydrophobicContact CB-CB 4.47Å; Q61-E67 HydrophobicContact CB-CB 4.27Å; Q61-E67 HydrophobicContact CB-CG 4.23Å; Q61-E67 HydrophobicContact CG-CG 4Å; Q61-E67 PolarHBondContact N-O 2.86Å; Q61-V69 HydrophobicContact CG-CB 4.29Å; Q61-V69 HydrophobicContact CG-CG1 4.23Å; Q61-T116 HydrophobicContact CG-CG2 4.1Å |
| 62 | Q | 88.7 | Confident | 93.4 | Very high | 149 Ų | 149 | 65.8 Ų | 65.8 | 70% | 0.696 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | 135.4 | 177.7 | -172.5 | 62.3 | 9.3 | 0 | 0 | 110.8 | E64 V175 | Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 3.2Å; Q62-V175 VanDerWaalsContact NE2-CG1 3.34Å |
| 63 | G | 79.9 | Confident | 93.8 | Very high | 78 Ų | 78 | 60.6 Ų | 60.6 | 80% | 0.804 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | -7.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 64 | E | 84.1 | Confident | 94 | Very high | 81 Ų | 81 | 59.6 Ų | 59.6 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -117.6 | 93.1 | -175.9 | -87.3 | -74 | 176.3 | 0 | 0 | 111.5 | Q61 Q62 G66 E67 K118 | Q61-E64 HydrophobicContact CB-CB 4.47Å; Q62-E64 VanDerWaalsContact C-N 3.26Å; Q62-E64 PolarHBondContact O-N 3.2Å; E64-G66 PolarHBondContact O-N 3.29Å; E64-G66 VanDerWaalsContact O-N 3.11Å; E64-E67 HydrophobicContact CB-CB 3.69Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 2.67Å; E64-K118 IonicContact OE2-NZ 2.75Å; E64-K118 PolarHBondContact OE2-NZ 3.03Å |
| 65 | Y | 85.9 | Confident | 94.1 | Very high | 130 Ų | 130 | 60.1 Ų | 60.1 | 51% | 0.51 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 118.5 | -173.1 | 177.8 | -120.2 | 0 | 0 | 0 | 113.1 | E67 K118 F121 L168 | Y65-E67 VanDerWaalsContact C-N 3.28Å; Y65-E67 PolarHBondContact O-N 3.37Å; Y65-K118 WeakPolarHBondContact O-CE 3.38Å; Y65-F121 HydrophobicContact CD1-CD2 4.46Å; Y65-F121 HydrophobicContact CE1-CB 4.4Å; Y65-F121 AromaticContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CE2 4.38Å; Y65-F121 HydrophobicContact CE1-CG 4.43Å; Y65-F121 HydrophobicContact CE2-CD2 4.09Å; Y65-F121 HydrophobicContact CE2-CE2 4.02Å; Y65-F121 AromaticContact CZ-CD2 3.41Å; Y65-F121 VanDerWaalsContact CZ-CD2 3.41Å; Y65-F121 AromaticContact CZ-CE2 3.79Å; Y65-F121 VanDerWaalsContact OH-CD2 3.29Å; Y65-F121 WeakPolarHBondContact OH-CD2 3.47Å; Y65-L168 HydrophobicContact CD2-CD2 4.33Å; Y65-L168 HydrophobicContact CE1-CD1 3.98Å; Y65-L168 HydrophobicContact CE2-CD1 3.79Å; Y65-L168 HydrophobicContact CE2-CD2 3.45Å; Y65-L168 VanDerWaalsContact CE2-CD2 3.45Å; Y65-L168 HydrophobicContact CE2-CG 4.22Å; Y65-L168 VanDerWaalsContact CZ-CD1 3.47Å; Y65-L168 WeakPolarHBondContact OH-CD1 3.18Å |
| 66 | G | 88.8 | Confident | 94.3 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E64 K118 F119 | E64-G66 PolarHBondContact O-N 3.29Å; E64-G66 VanDerWaalsContact O-N 3.11Å; G66-K118 CarbonylContact O-C 3.38Å; G66-K118 WeakPolarHBondContact O-CA 3.32Å; G66-F119 PolarHBondContact O-N 2.84Å |
| 67 | E | 95.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 3% | 0.033 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 133.2 | 167.2 | -171.7 | 164.4 | -86.6 | 0 | 0 | 110.7 | Q61 E64 Y65 T110 K113 T116 Y117 K118 | Q61-E67 HydrophobicContact CB-CB 4.27Å; Q61-E67 HydrophobicContact CB-CG 4.23Å; Q61-E67 HydrophobicContact CG-CG 4Å; Q61-E67 PolarHBondContact N-O 2.86Å; E64-E67 HydrophobicContact CB-CB 3.69Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 2.67Å; Y65-E67 VanDerWaalsContact C-N 3.28Å; Y65-E67 PolarHBondContact O-N 3.37Å; E67-T110 WeakPolarHBondContact OE1-CB 3.27Å; E67-T110 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T110 PolarHBondContact OE1-OG1 2.87Å; E67-K113 IonicContact OE2-NZ 2.68Å; E67-K113 PolarHBondContact OE2-NZ 3Å; E67-T116 HydrophobicContact CG-CG2 3.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.29Å; E67-Y117 WeakPolarHBondContact CA-O 3.48Å; E67-K118 HydrophobicContact CB-CB 4.34Å; E67-K118 HydrophobicContact CB-CD 4.23Å; E67-K118 HydrophobicContact CB-CG 4.15Å |
| 68 | F | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 152.5 | 176.4 | 70.6 | -87.9 | 0 | 0 | 0 | 111.2 | I45 L49 I58 A59 W60 I70 T116 Y117 F119 | I45-F68 HydrophobicContact CG2-CD2 4.34Å; I45-F68 HydrophobicContact CG2-CE1 4.35Å; I45-F68 HydrophobicContact CG2-CE2 3.72Å; I45-F68 HydrophobicContact CG2-CZ 3.72Å; L49-F68 HydrophobicContact CD1-CB 3.76Å; L49-F68 HydrophobicContact CD1-CD1 4.09Å; L49-F68 HydrophobicContact CD1-CD2 4.01Å; L49-F68 HydrophobicContact CD1-CG 3.7Å; L49-F68 HydrophobicContact CD2-CB 3.89Å; L49-F68 HydrophobicContact CG-CB 4.5Å; I58-F68 HydrophobicContact CD1-CD2 3.95Å; I58-F68 HydrophobicContact CD1-CE2 4.08Å; I58-F68 HydrophobicContact CG1-CD2 4.14Å; A59-F68 CarbonylContact O-C 3.59Å; A59-F68 VanDerWaalsContact O-CA 3.26Å; A59-F68 WeakPolarHBondContact O-CA 3.41Å; A59-F68 WeakPolarHBondContact O-CB 3.46Å; W60-F68 HydrophobicContact CE3-CB 3.86Å; W60-F68 HydrophobicContact CZ3-CB 4.12Å; W60-F68 HydrophobicContact CZ3-CD1 4.3Å; F68-I70 HydrophobicContact CD2-CG1 4.41Å; F68-I70 HydrophobicContact CE2-CD1 4.32Å; F68-I70 HydrophobicContact CE2-CG1 4.12Å; F68-T116 CarbonylContact O-C 3.55Å; F68-T116 VanDerWaalsContact O-CA 3.27Å; F68-T116 WeakPolarHBondContact O-CA 3.47Å; F68-T116 VanDerWaalsContact O-CG2 3.22Å; F68-T116 WeakPolarHBondContact O-CG2 3.27Å; F68-Y117 VanDerWaalsContact CD1-O 3.23Å; F68-Y117 WeakPolarHBondContact CD1-O 3.5Å; F68-Y117 HydrophobicContact CE2-CD2 4.24Å; F68-Y117 HydrophobicContact CZ-CD2 4.34Å; F68-Y117 HydrophobicContact CZ-CG 4.26Å; F68-Y117 PolarHBondContact N-O 3.48Å; F68-Y117 PolarHBondContact O-N 3.04Å; F68-Y117 VanDerWaalsContact O-O 3.14Å; F68-F119 AromaticContact CD1-CD2 3.55Å; F68-F119 HydrophobicContact CD1-CD2 3.55Å; F68-F119 AromaticContact CD1-CE2 3.56Å; F68-F119 HydrophobicContact CD1-CE2 3.56Å; F68-F119 AromaticContact CE1-CD2 3.45Å; F68-F119 HydrophobicContact CE1-CD2 3.45Å; F68-F119 VanDerWaalsContact CE1-CD2 3.45Å; F68-F119 AromaticContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CG 4.26Å; F68-F119 AromaticContact CE1-CZ 3.92Å; F68-F119 HydrophobicContact CE1-CZ 3.92Å; F68-F119 AromaticContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CZ 4.36Å |
| 69 | V | 97.4 | Very high | 94.4 | Very high | 22 Ų | 22 | 52.8 Ų | 52.8 | 13% | 0.133 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 129.7 | 175.1 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | I58 A59 Q61 K71 T116 | I58-V69 WeakPolarHBondContact CA-O 3.47Å; A59-V69 PolarHBondContact N-O 2.63Å; A59-V69 PolarHBondContact O-N 2.82Å; Q61-V69 HydrophobicContact CG-CB 4.29Å; Q61-V69 HydrophobicContact CG-CG1 4.23Å; V69-K71 HydrophobicContact CG1-CG 4.26Å; V69-T116 HydrophobicContact CB-CG2 4.35Å |
| 70 | I | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 112.9 | 163.6 | -63.8 | 167.7 | 0 | 0 | 0 | 106.5 | I58 F68 D72 P73 V76 Y91 L98 F115 Y117 | I58-I70 HydrophobicContact CD1-CG1 3.74Å; I58-I70 HydrophobicContact CG1-CG1 3.91Å; F68-I70 HydrophobicContact CD2-CG1 4.41Å; F68-I70 HydrophobicContact CE2-CD1 4.32Å; F68-I70 HydrophobicContact CE2-CG1 4.12Å; I70-D72 WeakPolarHBondContact CG2-O 3.4Å; I70-P73 HydrophobicContact CG2-CB 4.23Å; I70-V76 HydrophobicContact CG1-CG2 4.48Å; I70-V76 HydrophobicContact CG2-CB 4.29Å; I70-V76 HydrophobicContact CG2-CG2 3.77Å; I70-Y91 HydrophobicContact CD1-CE2 4.15Å; I70-L98 HydrophobicContact CD1-CD1 4.26Å; I70-F115 HydrophobicContact CB-CB 4.23Å; I70-F115 PolarHBondContact N-O 3.27Å; I70-F115 WeakPolarHBondContact O-CB 3.28Å; I70-Y117 HydrophobicContact CD1-CD2 4.49Å; I70-Y117 HydrophobicContact CD1-CE2 4.33Å |
| 71 | K | 97.8 | Very high | 94.4 | Very high | 117 Ų | 117 | 49.1 Ų | 49.1 | 51% | 0.509 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -83.3 | -47.8 | 179.7 | -64.6 | 174.7 | 177.9 | 174.8 | 0 | 110.2 | R55 H56 V57 V69 P73 | R55-K71 PolarHBondContact O-NZ 3.43Å; H56-K71 WeakPolarHBondContact O-CB 3.2Å; H56-K71 WeakPolarHBondContact O-CD 3.36Å; V57-K71 WeakPolarHBondContact O-CA 3.27Å; V57-K71 WeakPolarHBondContact O-CB 3.36Å; V57-K71 PolarHBondContact O-N 3.23Å; V69-K71 HydrophobicContact CG1-CG 4.26Å; K71-P73 WeakPolarHBondContact O-CD 3.39Å |
| 72 | D | 98.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 54.3 Ų | 54.3 | 36% | 0.358 | 27% | 0.267 | S | S | . | . | trans | -107.8 | 102 | 172.5 | -171 | -30 | 0 | 0 | 0 | 109.8 | V57 I70 D74 E75 V76 | V57-D72 HydrophobicContact CG1-CB 4.38Å; V57-D72 PolarHBondContact O-N 2.86Å; I70-D72 WeakPolarHBondContact CG2-O 3.4Å; D72-D74 VanDerWaalsContact C-N 3.33Å; D72-D74 PolarHBondContact OD1-N 3.44Å; D72-E75 HydrophobicContact CB-CB 4.05Å; D72-E75 VanDerWaalsContact CG-CB 3.42Å; D72-E75 PolarHBondContact OD1-N 3.37Å; D72-E75 WeakPolarHBondContact OD2-CB 3.43Å; D72-V76 WeakPolarHBondContact O-CG2 3.5Å; D72-V76 PolarHBondContact O-N 3.26Å | ||
| 73 | P | 97.9 | Very high | 94.7 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.8 | -28.7 | -179.4 | 28.2 | -33.6 | 0 | 0 | 0 | 113.6 | I70 K71 A77 Y91 F115 | I70-P73 HydrophobicContact CG2-CB 4.23Å; K71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-A77 WeakPolarHBondContact O-CB 3.39Å; P73-A77 PolarHBondContact O-N 3.2Å; P73-Y91 HydrophobicContact CB-CD1 4.16Å; P73-Y91 HydrophobicContact CB-CD2 3.38Å; P73-Y91 HydrophobicContact CB-CE2 3.86Å; P73-Y91 HydrophobicContact CB-CG 3.56Å; P73-Y91 WeakPolarHBondContact O-CD2 3.45Å; P73-F115 HydrophobicContact CB-CE1 4.39Å; P73-F115 HydrophobicContact CG-CE2 4.45Å; P73-F115 HydrophobicContact CG-CZ 4.27Å |
| 74 | D | 98.2 | Very high | 95.1 | Very high | 101 Ų | 101 | 48.3 Ų | 48.3 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -86 | -36.9 | -173.8 | -70.6 | -51.8 | 0 | 0 | 0 | 111.2 | D72 A77 R78 | D72-D74 VanDerWaalsContact C-N 3.33Å; D72-D74 PolarHBondContact OD1-N 3.44Å; D74-A77 CarbonylContact O-C 3.59Å; D74-A77 PolarHBondContact O-N 2.97Å; D74-R78 WeakPolarHBondContact O-CB 2.92Å; D74-R78 PolarHBondContact O-N 2.84Å |
| 75 | E | 98.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 47.1 Ų | 47.1 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 171.6 | 179.1 | 57.6 | -167.9 | 0 | 0 | 111.7 | V57 D72 A77 R78 L79 | V57-E75 HydrophobicContact CB-CG 4.41Å; V57-E75 HydrophobicContact CG1-CB 4.11Å; V57-E75 HydrophobicContact CG1-CG 3.9Å; V57-E75 HydrophobicContact CG2-CB 4.26Å; V57-E75 HydrophobicContact CG2-CG 3.56Å; D72-E75 HydrophobicContact CB-CB 4.05Å; D72-E75 VanDerWaalsContact CG-CB 3.42Å; D72-E75 PolarHBondContact OD1-N 3.37Å; D72-E75 WeakPolarHBondContact OD2-CB 3.43Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.2Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.41Å; E75-R78 IonicContact OE1-NE 3Å; E75-R78 IonicContact OE1-NH2 2.87Å; E75-R78 PolarHBondContact OE1-NH2 3.48Å; E75-R78 IonicContact OE2-CZ 2.93Å; E75-R78 IonicContact OE2-NE 3.25Å; E75-R78 PolarHBondContact OE2-NE 3.25Å; E75-R78 IonicContact OE2-NH2 2.67Å; E75-R78 PolarHBondContact OE2-NH2 3.45Å; E75-L79 HydrophobicContact CG-CD1 3.99Å; E75-L79 HydrophobicContact CG-CG 4.36Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.33Å; E75-L79 WeakPolarHBondContact OE1-CD1 3.44Å; E75-L79 WeakPolarHBondContact OE1-CG 3.35Å |
| 76 | V | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.5 | -43 | 170.2 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | L48 V57 I58 I70 D72 W80 L94 | L48-V76 HydrophobicContact CD1-CG1 4.42Å; L48-V76 HydrophobicContact CD1-CG2 4.43Å; V57-V76 HydrophobicContact CG1-CB 4.47Å; V57-V76 HydrophobicContact CG1-CG2 3.41Å; V57-V76 VanDerWaalsContact CG1-CG2 3.41Å; I58-V76 HydrophobicContact CB-CG2 4.16Å; I58-V76 HydrophobicContact CD1-CG2 4.46Å; I70-V76 HydrophobicContact CG1-CG2 4.48Å; I70-V76 HydrophobicContact CG2-CB 4.29Å; I70-V76 HydrophobicContact CG2-CG2 3.77Å; D72-V76 WeakPolarHBondContact O-CG2 3.5Å; D72-V76 PolarHBondContact O-N 3.26Å; V76-W80 WeakPolarHBondContact O-CB 3.31Å; V76-W80 PolarHBondContact O-N 2.97Å; V76-L94 HydrophobicContact CG1-CD1 3.87Å |
| 77 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -36.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | P73 D74 E75 G81 M89 L94 | P73-A77 WeakPolarHBondContact O-CB 3.39Å; P73-A77 PolarHBondContact O-N 3.2Å; D74-A77 CarbonylContact O-C 3.59Å; D74-A77 PolarHBondContact O-N 2.97Å; E75-A77 VanDerWaalsContact C-N 3.28Å; E75-A77 PolarHBondContact O-N 3.2Å; A77-G81 PolarHBondContact O-N 2.76Å; A77-M89 VanDerWaalsContact O-CG 3.29Å; A77-M89 WeakPolarHBondContact O-CG 3.45Å; A77-L94 HydrophobicContact CB-CD1 4.18Å |
| 78 | R | 97.8 | Very high | 95.8 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 177.4 | -161.7 | -157.7 | 58.1 | 57.5 | -2.1 | 111.8 | D74 E75 G81 R82 | D74-R78 WeakPolarHBondContact O-CB 2.92Å; D74-R78 PolarHBondContact O-N 2.84Å; E75-R78 PolarHBondContact O-N 3.32Å; E75-R78 IonicContact OE1-CZ 3.41Å; E75-R78 IonicContact OE1-NE 3Å; E75-R78 IonicContact OE1-NH2 2.87Å; E75-R78 PolarHBondContact OE1-NH2 3.48Å; E75-R78 IonicContact OE2-CZ 2.93Å; E75-R78 IonicContact OE2-NE 3.25Å; E75-R78 PolarHBondContact OE2-NE 3.25Å; E75-R78 IonicContact OE2-NH2 2.67Å; E75-R78 PolarHBondContact OE2-NH2 3.45Å; R78-G81 PolarHBondContact O-N 3.06Å; R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 PolarHBondContact O-N 3.08Å |
| 79 | L | 96.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 61.9 Ų | 61.9 | 9% | 0.094 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 173.4 | -68.3 | 167.6 | 0 | 0 | 0 | 111.2 | F44 L48 F54 E75 R82 R83 | F44-L79 HydrophobicContact CZ-CB 3.82Å; L48-L79 HydrophobicContact CD1-CD1 4.46Å; L48-L79 HydrophobicContact CD2-CD1 4.26Å; F54-L79 HydrophobicContact CD1-CD1 3.89Å; F54-L79 HydrophobicContact CE1-CD1 3.63Å; F54-L79 HydrophobicContact CE1-CD2 4.21Å; F54-L79 HydrophobicContact CZ-CD1 4.27Å; F54-L79 HydrophobicContact CZ-CD2 4.41Å; E75-L79 HydrophobicContact CG-CD1 3.99Å; E75-L79 HydrophobicContact CG-CG 4.36Å; E75-L79 WeakPolarHBondContact O-CB 3.23Å; E75-L79 VanDerWaalsContact O-CG 3.26Å; E75-L79 WeakPolarHBondContact O-CG 3.49Å; E75-L79 PolarHBondContact O-N 3.33Å; E75-L79 WeakPolarHBondContact OE1-CD1 3.44Å; E75-L79 WeakPolarHBondContact OE1-CG 3.35Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.47Å; L79-R83 PolarHBondContact O-N 2.82Å |
| 80 | W | 96.3 | Very high | 95.8 | Very high | 22 Ų | 22 | 63.2 Ų | 63.2 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 173.1 | 179.5 | -127.2 | 0 | 0 | 0 | 112.2 | I39 L41 F44 V76 R82 R83 K84 L94 | I39-W80 HydrophobicContact CG2-CZ3 4.09Å; I39-W80 WeakPolarHBondContact O-CH2 3.49Å; L41-W80 HydrophobicContact CB-CH2 3.99Å; L41-W80 HydrophobicContact CB-CZ2 3.74Å; L41-W80 HydrophobicContact CD1-CD2 3.77Å; L41-W80 HydrophobicContact CD1-CE3 4.2Å; L41-W80 HydrophobicContact CD1-CG 3.97Å; L41-W80 HydrophobicContact CD1-CZ2 4.34Å; L41-W80 VanDerWaalsContact N-CH2 3.33Å; F44-W80 HydrophobicContact CB-CE3 3.87Å; F44-W80 HydrophobicContact CB-CZ3 3.64Å; F44-W80 HydrophobicContact CD1-CB 4.26Å; F44-W80 HydrophobicContact CD1-CD2 4.19Å; F44-W80 AromaticContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CE3 3.47Å; F44-W80 VanDerWaalsContact CD1-CE3 3.47Å; F44-W80 HydrophobicContact CD1-CZ3 4.15Å; F44-W80 HydrophobicContact CD2-CE3 4.13Å; F44-W80 HydrophobicContact CD2-CZ3 4.49Å; F44-W80 HydrophobicContact CE1-CB 3.69Å; F44-W80 HydrophobicContact CE1-CD2 4.48Å; F44-W80 AromaticContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CE3 3.99Å; F44-W80 HydrophobicContact CE1-CG 4.42Å; F44-W80 AromaticContact CG-CE3 3.53Å; F44-W80 HydrophobicContact CG-CE3 3.53Å; F44-W80 AromaticContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CG-CZ3 3.84Å; F44-W80 HydrophobicContact CZ-CB 4.2Å; V76-W80 WeakPolarHBondContact O-CB 3.31Å; V76-W80 PolarHBondContact O-N 2.97Å; W80-R82 PolarHBondContact O-N 2.9Å; W80-R83 PolarHBondContact O-N 3.36Å; W80-K84 HydrophobicContact CD2-CG 3.91Å; W80-K84 HydrophobicContact CE3-CD 4.45Å; W80-K84 HydrophobicContact CE3-CG 3.83Å; W80-K84 HydrophobicContact CH2-CD 3.49Å; W80-K84 VanDerWaalsContact CH2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CG 3.55Å; W80-K84 HydrophobicContact CZ2-CD 3.94Å; W80-K84 HydrophobicContact CZ2-CG 3.61Å; W80-K84 HydrophobicContact CZ3-CD 3.78Å; W80-K84 HydrophobicContact CZ3-CG 3.67Å; W80-K84 PolarHBondContact O-N 2.75Å; W80-L94 HydrophobicContact CB-CD1 3.85Å; W80-L94 HydrophobicContact CG-CD1 4.01Å |
| 81 | G | 95.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A77 R78 C85 K86 | A77-G81 PolarHBondContact O-N 2.76Å; R78-G81 PolarHBondContact O-N 3.06Å; G81-C85 CarbonylContact O-C 3.51Å; G81-C85 WeakPolarHBondContact O-CA 3.2Å; G81-C85 PolarHBondContact O-N 2.98Å; G81-K86 WeakPolarHBondContact CA-O 3.25Å; G81-K86 PolarHBondContact O-N 2.84Å |
| 82 | R | 94.2 | Very high | 95.8 | Very high | 175 Ų | 175 | 63.9 Ų | 63.9 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -59.7 | -52.2 | 172.6 | -171.8 | -175.3 | -77 | 179.3 | -3.8 | 110.8 | R78 L79 W80 K84 C85 | R78-R82 WeakPolarHBondContact O-CB 3.29Å; R78-R82 PolarHBondContact O-N 3.08Å; L79-R82 WeakPolarHBondContact O-CB 3.49Å; L79-R82 PolarHBondContact O-N 3.47Å; W80-R82 PolarHBondContact O-N 2.9Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.21Å; R82-C85 PolarHBondContact O-N 2.77Å |
| 83 | R | 93.3 | Very high | 95.8 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 19% | 0.185 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.2 | -37.4 | -178.5 | 179.5 | 61.7 | 69.2 | 86.3 | 5.8 | 113.8 | I39 F44 E47 L79 W80 | I39-R83 HydrophobicContact CG2-CG 3.67Å; F44-R83 HydrophobicContact CD2-CB 4.33Å; F44-R83 HydrophobicContact CD2-CG 4.11Å; F44-R83 HydrophobicContact CE2-CB 4.09Å; F44-R83 HydrophobicContact CE2-CG 4.34Å; E47-R83 IonicContact OE1-CZ 3.32Å; E47-R83 IonicContact OE1-NH1 2.74Å; E47-R83 IonicContact OE1-NH2 3.15Å; E47-R83 PolarHBondContact OE1-NH2 2.92Å; E47-R83 IonicContact OE2-CZ 2.61Å; E47-R83 VanDerWaalsContact OE2-CZ 3.25Å; E47-R83 IonicContact OE2-NH1 3.2Å; E47-R83 PolarHBondContact OE2-NH1 3.2Å; E47-R83 IonicContact OE2-NH2 2.67Å; E47-R83 PolarHBondContact OE2-NH2 2.97Å; L79-R83 PolarHBondContact O-N 2.82Å; W80-R83 PolarHBondContact O-N 3.36Å |
| 84 | K | 90.3 | Very high | 95.8 | Very high | 51 Ų | 51 | 65.1 Ų | 65.1 | 22% | 0.222 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.8 | -179.7 | -58.3 | -69.9 | -80.6 | -173.7 | 0 | 113.8 | R37 I39 W80 R82 K86 | R37-K84 WeakPolarHBondContact O-CD 3.49Å; R37-K84 WeakPolarHBondContact O-CE 3.21Å; R37-K84 PolarHBondContact O-NZ 2.8Å; I39-K84 HydrophobicContact CG2-CD 4.2Å; I39-K84 PolarHBondContact O-NZ 3.45Å; W80-K84 HydrophobicContact CD2-CG 3.91Å; W80-K84 HydrophobicContact CE3-CD 4.45Å; W80-K84 HydrophobicContact CE3-CG 3.83Å; W80-K84 HydrophobicContact CH2-CD 3.49Å; W80-K84 VanDerWaalsContact CH2-CD 3.49Å; W80-K84 HydrophobicContact CH2-CG 3.55Å; W80-K84 HydrophobicContact CZ2-CD 3.94Å; W80-K84 HydrophobicContact CZ2-CG 3.61Å; W80-K84 HydrophobicContact CZ3-CD 3.78Å; W80-K84 HydrophobicContact CZ3-CG 3.67Å; W80-K84 PolarHBondContact O-N 2.75Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 3.21Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 HydrophobicContact CB-CG 4.28Å; K84-K86 PolarHBondContact O-N 3.38Å |
| 85 | C | 90.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 46 | -171.5 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | R37 G81 R82 | R37-C85 VanDerWaalsContact CZ-SG 3.52Å; G81-C85 CarbonylContact O-C 3.51Å; G81-C85 WeakPolarHBondContact O-CA 3.2Å; G81-C85 PolarHBondContact O-N 2.98Å; R82-C85 PolarHBondContact O-N 2.77Å |
| 86 | K | 92.3 | Very high | 95.7 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | trans | -116 | 89.7 | 173.4 | -63.3 | -58.6 | -179 | -177.3 | 0 | 108.7 | G81 K84 Q88 M89 | G81-K86 WeakPolarHBondContact CA-O 3.25Å; G81-K86 PolarHBondContact O-N 2.84Å; K84-K86 VanDerWaalsContact C-N 3.28Å; K84-K86 HydrophobicContact CB-CG 4.28Å; K84-K86 PolarHBondContact O-N 3.38Å; K86-Q88 PolarHBondContact O-N 2.92Å; K86-M89 HydrophobicContact CB-CB 4.45Å; K86-M89 HydrophobicContact CB-CE 4.1Å; K86-M89 HydrophobicContact CG-CE 4.46Å; K86-M89 VanDerWaalsContact O-CB 3.27Å; K86-M89 WeakPolarHBondContact O-CB 3.28Å; K86-M89 PolarHBondContact O-N 3.43Å | ||
| 87 | P | 90.2 | Very high | 95.6 | Very high | 122 Ų | 122 | 65.4 Ų | 65.4 | 79% | 0.792 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.3 | -177.6 | 26.2 | -34.4 | 0 | 0 | 0 | 112.7 | M89 | P87-M89 PolarHBondContact O-N 2.97Š|
| 88 | Q | 94.3 | Very high | 95.6 | Very high | 155 Ų | 155 | 65.4 Ų | 65.4 | 72% | 0.724 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | 28.5 | 175.9 | -66.1 | -65.7 | -20.9 | 0 | 0 | 113.1 | K86 K93 | K86-Q88 PolarHBondContact O-N 2.92Å; Q88-K93 WeakPolarHBondContact O-CD 3.33Å; Q88-K93 PolarHBondContact O-NZ 2.75Å |
| 89 | M | 97.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 67.7 Ų | 67.7 | 21% | 0.207 | 32% | 0.32 | C | S | . | . | trans | -84.5 | 136.5 | 173.5 | -171.8 | 61.9 | 66.3 | 0 | 0 | 110 | A77 K86 P87 K93 | A77-M89 VanDerWaalsContact O-CG 3.29Å; A77-M89 WeakPolarHBondContact O-CG 3.45Å; K86-M89 HydrophobicContact CB-CB 4.45Å; K86-M89 HydrophobicContact CB-CE 4.1Å; K86-M89 HydrophobicContact CG-CE 4.46Å; K86-M89 VanDerWaalsContact O-CB 3.27Å; K86-M89 WeakPolarHBondContact O-CB 3.28Å; K86-M89 PolarHBondContact O-N 3.43Å; P87-M89 PolarHBondContact O-N 2.97Å; M89-K93 HydrophobicContact SD-CB 3.93Å | ||
| 90 | N | 98.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 73.5 Ų | 73.5 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | trans | -143 | 173 | 176.1 | 76.8 | -22.7 | 0 | 0 | 0 | 110.1 | D92 K93 L94 | N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact ND2-OD2 3.35Å; N90-D92 PolarHBondContact O-N 3.29Å; N90-K93 PolarHBondContact O-N 3.2Å; N90-K93 WeakPolarHBondContact OD1-CB 3.32Å; N90-K93 VanDerWaalsContact OD1-CD 3.28Å; N90-K93 WeakPolarHBondContact OD1-CD 3.29Å; N90-K93 WeakPolarHBondContact OD1-CE 3.47Å; N90-K93 WeakPolarHBondContact OD1-CG 3.39Å; N90-K93 PolarHBondContact OD1-N 3.26Å; N90-K93 VanDerWaalsContact OD1-N 3.14Å; N90-L94 PolarHBondContact O-N 3.5Å; N90-L94 VanDerWaalsContact O-N 3.11Å | ||
| 91 | Y | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 73.9 Ų | 73.9 | 9% | 0.09 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.8 | -32.2 | -176.6 | -172.8 | -100.5 | 0 | 0 | 0 | 113.7 | I70 P73 K93 L94 S95 F115 Y117 | I70-Y91 HydrophobicContact CD1-CE2 4.15Å; P73-Y91 HydrophobicContact CB-CD1 4.16Å; P73-Y91 HydrophobicContact CB-CD2 3.38Å; P73-Y91 HydrophobicContact CB-CE2 3.86Å; P73-Y91 HydrophobicContact CB-CG 3.56Å; P73-Y91 WeakPolarHBondContact O-CD2 3.45Å; Y91-K93 PolarHBondContact O-N 2.77Å; Y91-L94 HydrophobicContact CD2-CD2 4.47Å; Y91-L94 HydrophobicContact CE2-CD2 4.32Å; Y91-L94 PolarHBondContact O-N 2.99Å; Y91-S95 WeakPolarHBondContact O-CB 3.26Å; Y91-S95 PolarHBondContact O-N 3.29Å; Y91-S95 PolarHBondContact O-OG 3.44Å; Y91-S95 VanDerWaalsContact O-OG 3.08Å; Y91-F115 HydrophobicContact CD1-CE1 4.24Å; Y91-F115 AromaticContact CE1-CD1 3.85Å; Y91-F115 HydrophobicContact CE1-CD1 3.85Å; Y91-F115 AromaticContact CE1-CE1 3.7Å; Y91-F115 HydrophobicContact CE1-CE1 3.7Å; Y91-F115 AromaticContact CZ-CD1 3.77Å; Y91-Y117 PolarHBondContact OH-OH 3.02Å |
| 92 | D | 97.7 | Very high | 95.3 | Very high | 110 Ų | 110 | 76.4 Ų | 76.4 | 59% | 0.588 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.2 | -47.2 | 177.4 | -54.2 | -60.8 | 0 | 0 | 0 | 112 | N90 S95 R96 | N90-D92 VanDerWaalsContact C-N 3.3Å; N90-D92 PolarHBondContact ND2-OD2 3.35Å; N90-D92 PolarHBondContact O-N 3.29Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 3.38Å; D92-S95 VanDerWaalsContact O-OG 3.06Å; D92-R96 PolarHBondContact O-N 2.86Å |
| 93 | K | 97.1 | Very high | 95.1 | Very high | 113 Ų | 113 | 75 Ų | 75 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 178.5 | -66.3 | 164.1 | -158.9 | 175.5 | 0 | 111.3 | Q88 M89 N90 Y91 | Q88-K93 WeakPolarHBondContact O-CD 3.33Å; Q88-K93 PolarHBondContact O-NZ 2.75Å; M89-K93 HydrophobicContact SD-CB 3.93Å; N90-K93 PolarHBondContact O-N 3.2Å; N90-K93 WeakPolarHBondContact OD1-CB 3.32Å; N90-K93 VanDerWaalsContact OD1-CD 3.28Å; N90-K93 WeakPolarHBondContact OD1-CD 3.29Å; N90-K93 WeakPolarHBondContact OD1-CE 3.47Å; N90-K93 WeakPolarHBondContact OD1-CG 3.39Å; N90-K93 PolarHBondContact OD1-N 3.26Å; N90-K93 VanDerWaalsContact OD1-N 3.14Å; Y91-K93 PolarHBondContact O-N 2.77Å |
| 94 | L | 98 | Very high | 94.9 | Very high | 1 Ų | 1 | 79.8 Ų | 79.8 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -68 | -47.8 | 176.5 | -171.1 | 153.9 | 0 | 0 | 0 | 111.7 | L41 V76 A77 W80 N90 Y91 R96 A97 L98 | L41-L94 HydrophobicContact CD1-CD1 3.89Å; L41-L94 HydrophobicContact CD1-CD2 4.18Å; L41-L94 HydrophobicContact CD1-CG 3.82Å; L41-L94 HydrophobicContact CD2-CD2 3.96Å; L41-L94 HydrophobicContact CD2-CG 3.86Å; V76-L94 HydrophobicContact CG1-CD1 3.87Å; A77-L94 HydrophobicContact CB-CD1 4.18Å; W80-L94 HydrophobicContact CB-CD1 3.85Å; W80-L94 HydrophobicContact CG-CD1 4.01Å; N90-L94 PolarHBondContact O-N 3.5Å; N90-L94 VanDerWaalsContact O-N 3.11Å; Y91-L94 HydrophobicContact CD2-CD2 4.47Å; Y91-L94 HydrophobicContact CE2-CD2 4.32Å; Y91-L94 PolarHBondContact O-N 2.99Å; L94-R96 PolarHBondContact O-N 3.12Å; L94-A97 WeakPolarHBondContact O-CA 3.36Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.95Å; L94-L98 HydrophobicContact CD2-CD1 3.84Å; L94-L98 HydrophobicContact CD2-CD2 4.47Å; L94-L98 HydrophobicContact CD2-CG 4.01Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-L98 VanDerWaalsContact O-N 3.15Å |
| 95 | S | 97.8 | Very high | 94.9 | Very high | 21 Ų | 21 | 83.6 Ų | 83.6 | 15% | 0.147 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.5 | -27 | 179.2 | 74.2 | 0 | 0 | 0 | 0 | 112.5 | Y91 D92 A97 L98 R99 | Y91-S95 WeakPolarHBondContact O-CB 3.26Å; Y91-S95 PolarHBondContact O-N 3.29Å; Y91-S95 PolarHBondContact O-OG 3.44Å; Y91-S95 VanDerWaalsContact O-OG 3.08Å; D92-S95 PolarHBondContact O-N 2.9Å; D92-S95 PolarHBondContact O-OG 3.38Å; D92-S95 VanDerWaalsContact O-OG 3.06Å; S95-A97 PolarHBondContact O-N 2.91Å; S95-L98 PolarHBondContact O-N 3.21Å; S95-R99 WeakPolarHBondContact O-CG 3.45Å; S95-R99 PolarHBondContact O-N 2.79Å |
| 96 | R | 97.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 81.8 Ų | 81.8 | 39% | 0.389 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -34 | 170.1 | -171.2 | 65.8 | -165.3 | 84.6 | -10.3 | 112.4 | D92 L94 Y100 | D92-R96 PolarHBondContact O-N 2.86Å; L94-R96 PolarHBondContact O-N 3.12Å; R96-Y100 HydrophobicContact CG-CE2 4.25Å; R96-Y100 VanDerWaalsContact NH1-CE1 3.27Å; R96-Y100 VanDerWaalsContact NH1-CE2 3.27Å; R96-Y100 VanDerWaalsContact NH2-CE1 3.32Å; R96-Y100 VanDerWaalsContact NH2-CZ 3.33Å; R96-Y100 PolarHBondContact NH2-OH 3.47Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 2.75Å |
| 97 | A | 95.2 | Very high | 95 | Very high | 28 Ų | 28 | 75.6 Ų | 75.6 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.5 | -42.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L41 L94 S95 R99 Y100 Y101 | L41-A97 HydrophobicContact CD2-CB 3.65Å; L94-A97 WeakPolarHBondContact O-CA 3.36Å; L94-A97 WeakPolarHBondContact O-CB 3.36Å; L94-A97 PolarHBondContact O-N 2.95Å; S95-A97 PolarHBondContact O-N 2.91Å; A97-R99 PolarHBondContact O-N 3.32Å; A97-Y100 PolarHBondContact O-N 3.14Å; A97-Y101 WeakPolarHBondContact O-CD2 3.48Å; A97-Y101 PolarHBondContact O-N 3Å |
| 98 | L | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.3 | -41.4 | 172.2 | -59.9 | 179.9 | 0 | 0 | 0 | 111.9 | L41 I45 I70 L94 S95 Y100 Y101 Y102 L107 Y117 | L41-L98 HydrophobicContact CD2-CD2 3.88Å; L41-L98 HydrophobicContact CD2-CG 4.25Å; L41-L98 HydrophobicContact CG-CD2 4.46Å; I45-L98 HydrophobicContact CD1-CD2 3.65Å; I70-L98 HydrophobicContact CD1-CD1 4.26Å; L94-L98 HydrophobicContact CD2-CD1 3.84Å; L94-L98 HydrophobicContact CD2-CD2 4.47Å; L94-L98 HydrophobicContact CD2-CG 4.01Å; L94-L98 PolarHBondContact O-N 2.94Å; L94-L98 VanDerWaalsContact O-N 3.15Å; S95-L98 PolarHBondContact O-N 3.21Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.32Å; L98-Y101 HydrophobicContact CD2-CD2 4.41Å; L98-Y101 WeakPolarHBondContact O-CB 3.26Å; L98-Y101 PolarHBondContact O-N 3.5Å; L98-Y101 VanDerWaalsContact O-N 3.11Å; L98-Y102 VanDerWaalsContact O-CD1 3.28Å; L98-Y102 WeakPolarHBondContact O-CD1 3.37Å; L98-Y102 VanDerWaalsContact O-CE1 3.25Å; L98-Y102 WeakPolarHBondContact O-CE1 3.18Å; L98-L107 HydrophobicContact CD2-CD2 3.93Å; L98-Y117 HydrophobicContact CB-CE1 4.25Å; L98-Y117 HydrophobicContact CD1-CD2 4.35Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; L98-Y117 HydrophobicContact CD1-CE2 3.78Å |
| 99 | R | 97.1 | Very high | 95.3 | Very high | 146 Ų | 146 | 68.1 Ų | 68.1 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.1 | -30.5 | 176 | -72.3 | 170.2 | 66.8 | 177 | 2.6 | 114 | S95 A97 Y102 | S95-R99 WeakPolarHBondContact O-CG 3.45Å; S95-R99 PolarHBondContact O-N 2.79Å; A97-R99 PolarHBondContact O-N 3.32Å; R99-Y102 HydrophobicContact CB-CE2 4.19Å; R99-Y102 HydrophobicContact CG-CE2 3.91Å |
| 100 | Y | 95.7 | Very high | 95.2 | Very high | 141 Ų | 141 | 67.2 Ų | 67.2 | 55% | 0.553 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72.5 | -29.9 | 173.6 | -71.1 | -59.3 | 0 | 0 | 0 | 112.2 | R96 A97 L98 Y102 N103 | R96-Y100 HydrophobicContact CG-CE2 4.25Å; R96-Y100 VanDerWaalsContact NH1-CE1 3.27Å; R96-Y100 VanDerWaalsContact NH1-CE2 3.27Å; R96-Y100 VanDerWaalsContact NH2-CE1 3.32Å; R96-Y100 VanDerWaalsContact NH2-CZ 3.33Å; R96-Y100 PolarHBondContact NH2-OH 3.47Å; R96-Y100 WeakPolarHBondContact O-CD2 3.49Å; R96-Y100 PolarHBondContact O-N 2.75Å; A97-Y100 PolarHBondContact O-N 3.14Å; L98-Y100 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 3.32Å; Y100-Y102 PolarHBondContact O-N 3.27Å; Y100-N103 PolarHBondContact O-N 3.37Å |
| 101 | Y | 94.9 | Very high | 95 | Very high | 29 Ų | 29 | 74 Ų | 74 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70.6 | -16.2 | -179.3 | -65.2 | -39 | 0 | 0 | 0 | 114.4 | L41 W42 A97 L98 K104 R105 I106 L107 | L41-Y101 HydrophobicContact CB-CE2 4.09Å; L41-Y101 HydrophobicContact CD2-CE2 4.24Å; L41-Y101 HydrophobicContact CG-CE2 4.36Å; W42-Y101 HydrophobicContact CB-CD2 4.34Å; W42-Y101 HydrophobicContact CB-CE2 3.94Å; W42-Y101 AromaticContact CD1-CE1 3.88Å; W42-Y101 AromaticContact CD1-CZ 3.65Å; W42-Y101 HydrophobicContact CG-CE2 4.49Å; A97-Y101 WeakPolarHBondContact O-CD2 3.48Å; A97-Y101 PolarHBondContact O-N 3Å; L98-Y101 HydrophobicContact CD2-CD2 4.41Å; L98-Y101 WeakPolarHBondContact O-CB 3.26Å; L98-Y101 PolarHBondContact O-N 3.5Å; L98-Y101 VanDerWaalsContact O-N 3.11Å; Y101-K104 CarbonylContact O-C 3.56Å; Y101-R105 PolarHBondContact O-N 3.27Å; Y101-R105 VanDerWaalsContact O-N 3.11Å; Y101-I106 HydrophobicContact CD1-CB 4.42Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CD1-CG2 4.41Å; Y101-I106 HydrophobicContact CE1-CD1 4.19Å; Y101-I106 HydrophobicContact CG-CB 4.4Å; Y101-I106 HydrophobicContact CG-CG2 4.2Å; Y101-I106 PolarHBondContact O-N 2.92Å; Y101-I106 VanDerWaalsContact O-N 3.08Å; Y101-L107 HydrophobicContact CD2-CD2 3.82Å; Y101-L107 HydrophobicContact CG-CD2 4.31Å |
| 102 | Y | 93.7 | Very high | 94.9 | Very high | 58 Ų | 58 | 77.2 Ų | 77.2 | 23% | 0.227 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.1 | -53 | 172.4 | -52.9 | -13.5 | 0 | 0 | 0 | 111.2 | L98 R99 Y100 K104 R105 L107 K109 Y117 | L98-Y102 VanDerWaalsContact O-CD1 3.28Å; L98-Y102 WeakPolarHBondContact O-CD1 3.37Å; L98-Y102 VanDerWaalsContact O-CE1 3.25Å; L98-Y102 WeakPolarHBondContact O-CE1 3.18Å; R99-Y102 HydrophobicContact CB-CE2 4.19Å; R99-Y102 HydrophobicContact CG-CE2 3.91Å; Y100-Y102 PolarHBondContact O-N 3.27Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.2Å; Y102-R105 PolarHBondContact O-N 3.11Å; Y102-L107 WeakPolarHBondContact CA-O 3.47Å; Y102-L107 HydrophobicContact CD1-CD1 3.87Å; Y102-L107 HydrophobicContact CE1-CD1 3.76Å; Y102-K109 HydrophobicContact CE1-CB 3.85Å; Y102-K109 HydrophobicContact CE2-CB 4.15Å; Y102-Y117 HydrophobicContact CE1-CD1 4.25Å; Y102-Y117 HydrophobicContact CE1-CE1 4.08Å |
| 103 | N | 90.9 | Very high | 94.8 | Very high | 144 Ų | 144 | 76.3 Ų | 76.3 | 77% | 0.77 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.2 | -35.2 | -178.2 | -68.4 | 19.4 | 0 | 0 | 0 | 111.1 | Y100 R105 | Y100-N103 PolarHBondContact O-N 3.37Å; N103-R105 PolarHBondContact O-N 2.98Å |
| 104 | K | 88.1 | Confident | 94.7 | Very high | 150 Ų | 150 | 80.3 Ų | 80.3 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -0.5 | 172.2 | -60.2 | -158.3 | 71.7 | 174.1 | 0 | 114 | Y101 Y102 I106 | Y101-K104 CarbonylContact O-C 3.56Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.2Å; K104-I106 HydrophobicContact CB-CD1 4.05Å; K104-I106 HydrophobicContact CB-CG1 4.35Å; K104-I106 PolarHBondContact O-N 3.24Å; K104-I106 VanDerWaalsContact O-N 3.12Å |
| 105 | R | 89.6 | Confident | 94.7 | Very high | 132 Ų | 132 | 83 Ų | 83 | 50% | 0.498 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 26.7 | 179.9 | -54.1 | -62.9 | -174.7 | 150.4 | 3 | 114.5 | Y101 Y102 N103 H108 N120 K123 | Y101-R105 PolarHBondContact O-N 3.27Å; Y101-R105 VanDerWaalsContact O-N 3.11Å; Y102-R105 PolarHBondContact O-N 3.11Å; N103-R105 PolarHBondContact O-N 2.98Å; R105-H108 WeakPolarHBondContact CD-NE2 3.43Å; R105-H108 PolarHBondContact NH1-NE2 3.3Å; R105-N120 WeakPolarHBondContact O-CB 3.32Å; R105-K123 HydrophobicContact CB-CB 4.44Å; R105-K123 HydrophobicContact CB-CD 3.88Å; R105-K123 HydrophobicContact CG-CD 4.21Å |
| 106 | I | 91.1 | Very high | 94.7 | Very high | 19 Ų | 19 | 82.2 Ų | 82.2 | 10% | 0.097 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -79.9 | -44.2 | 176.8 | -77.6 | 165.4 | 0 | 0 | 0 | 110.1 | W42 Y101 K104 N120 L124 | W42-I106 HydrophobicContact CB-CG2 3.97Å; W42-I106 HydrophobicContact CD2-CG2 4.14Å; W42-I106 HydrophobicContact CG-CG2 3.87Å; Y101-I106 HydrophobicContact CD1-CB 4.42Å; Y101-I106 HydrophobicContact CD1-CD1 3.79Å; Y101-I106 HydrophobicContact CD1-CG2 4.41Å; Y101-I106 HydrophobicContact CE1-CD1 4.19Å; Y101-I106 HydrophobicContact CG-CB 4.4Å; Y101-I106 HydrophobicContact CG-CG2 4.2Å; Y101-I106 PolarHBondContact O-N 2.92Å; Y101-I106 VanDerWaalsContact O-N 3.08Å; K104-I106 HydrophobicContact CB-CD1 4.05Å; K104-I106 HydrophobicContact CB-CG1 4.35Å; K104-I106 PolarHBondContact O-N 3.24Å; K104-I106 VanDerWaalsContact O-N 3.12Å; I106-N120 PolarHBondContact O-N 3.08Å; I106-L124 HydrophobicContact CB-CD2 4.39Å; I106-L124 HydrophobicContact CG1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 4.21Å |
| 107 | L | 94.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 155 | 174.6 | 67.2 | 91.4 | 0 | 0 | 0 | 110.1 | L98 Y101 Y102 Y117 K118 F119 | L98-L107 HydrophobicContact CD2-CD2 3.93Å; Y101-L107 HydrophobicContact CD2-CD2 3.82Å; Y101-L107 HydrophobicContact CG-CD2 4.31Å; Y102-L107 WeakPolarHBondContact CA-O 3.47Å; Y102-L107 HydrophobicContact CD1-CD1 3.87Å; Y102-L107 HydrophobicContact CE1-CD1 3.76Å; L107-Y117 HydrophobicContact CD1-CD1 3.65Å; L107-Y117 HydrophobicContact CD1-CE1 4.44Å; L107-Y117 HydrophobicContact CD1-CG 4.26Å; L107-K118 CarbonylContact C-O 3.53Å; L107-K118 VanDerWaalsContact CA-O 3.29Å; L107-K118 WeakPolarHBondContact CA-O 3.21Å; L107-F119 HydrophobicContact CB-CD1 4.26Å |
| 108 | H | 95.1 | Very high | 94.7 | Very high | 53 Ų | 53 | 80 Ų | 80 | 25% | 0.245 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 151.1 | 176.4 | -63.7 | 83.1 | 0 | 0 | 0 | 109.9 | R105 Y117 K118 N120 | R105-H108 WeakPolarHBondContact CD-NE2 3.43Å; R105-H108 PolarHBondContact NH1-NE2 3.3Å; H108-Y117 WeakPolarHBondContact O-CA 3.48Å; H108-K118 PolarHBondContact N-O 2.81Å; H108-K118 PolarHBondContact O-N 3.5Å; H108-N120 PolarHBondContact CE1-ND2 3.15Å |
| 109 | K | 95.4 | Very high | 94.5 | Very high | 68 Ų | 68 | 80.3 Ų | 80.3 | 30% | 0.296 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 120.8 | 173.2 | 176 | 61.3 | -163.7 | 154.5 | 0 | 109.8 | Y102 K111 K113 T116 Y117 | Y102-K109 HydrophobicContact CE1-CB 3.85Å; Y102-K109 HydrophobicContact CE2-CB 4.15Å; K109-K111 PolarHBondContact O-N 3.11Å; K109-K113 WeakPolarHBondContact CE-O 3.43Å; K109-K113 PolarHBondContact NZ-O 3.39Å; K109-T116 WeakPolarHBondContact CD-O 3.33Å; K109-T116 PolarHBondContact NZ-O 3.47Å; K109-Y117 HydrophobicContact CB-CD1 4.39Å; K109-Y117 HydrophobicContact CB-CE1 4.4Å; K109-Y117 HydrophobicContact CD-CD1 3.87Å; K109-Y117 HydrophobicContact CD-CE1 3.51Å; K109-Y117 HydrophobicContact CG-CE1 4.5Å |
| 110 | T | 96.3 | Very high | 94.2 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 14% | 0.135 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 122.8 | 169.2 | -47.2 | 0 | 0 | 0 | 0 | 109 | E67 K113 | E67-T110 WeakPolarHBondContact OE1-CB 3.27Å; E67-T110 WeakPolarHBondContact OE1-CG2 3.46Å; E67-T110 PolarHBondContact OE1-OG1 2.87Å; T110-K113 HydrophobicContact CG2-CB 4.2Å; T110-K113 HydrophobicContact CG2-CD 3.89Å; T110-K113 HydrophobicContact CG2-CG 3.98Å |
| 111 | K | 94.6 | Very high | 93.5 | Very high | 194 Ų | 194 | 70.9 Ų | 70.9 | 84% | 0.843 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -69.4 | 152 | 175.3 | -65.3 | -178.2 | 178.9 | -179.7 | 0 | 109.7 | K109 K113 | K109-K111 PolarHBondContact O-N 3.11Å; K111-K113 PolarHBondContact O-N 3.3Å |
| 112 | G | 95.1 | Very high | 92.4 | Very high | 89 Ų | 89 | 73.5 Ų | 73.5 | 92% | 0.918 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 73.4 | -40.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 113 | K | 95.3 | Very high | 91.1 | Very high | 91 Ų | 91 | 76 Ų | 76 | 40% | 0.396 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -85.1 | 126.7 | -176.5 | -53.1 | -171.7 | -167.2 | 173.2 | 0 | 112.4 | E67 K109 T110 K111 T116 | E67-K113 IonicContact OE2-NZ 2.68Å; E67-K113 PolarHBondContact OE2-NZ 3Å; K109-K113 WeakPolarHBondContact CE-O 3.43Å; K109-K113 PolarHBondContact NZ-O 3.39Å; T110-K113 HydrophobicContact CG2-CB 4.2Å; T110-K113 HydrophobicContact CG2-CD 3.89Å; T110-K113 HydrophobicContact CG2-CG 3.98Å; K111-K113 PolarHBondContact O-N 3.3Å; K113-T116 HydrophobicContact CB-CG2 4.43Å; K113-T116 VanDerWaalsContact CB-OG1 3.3Å; K113-T116 WeakPolarHBondContact CB-OG1 3.36Å; K113-T116 HydrophobicContact CD-CG2 4.15Å |
| 114 | R | 96.5 | Very high | 89.8 | Confident | 197 Ų | 197 | 69.7 Ų | 69.7 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -68.5 | 142.1 | 172.3 | -67.3 | -171.9 | 71.4 | -177.2 | 1.7 | 110.4 | T116 | R114-T116 PolarHBondContact O-N 3.5Å; R114-T116 PolarHBondContact O-OG1 3.32Å; R114-T116 VanDerWaalsContact O-OG1 3.08Å |
| 115 | F | 97.7 | Very high | 88.4 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 25% | 0.254 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 54.2 | 2.7 | 176.3 | -48.7 | -56.5 | 0 | 0 | 0 | 118.2 | I70 P73 Y91 Y117 | I70-F115 HydrophobicContact CB-CB 4.23Å; I70-F115 PolarHBondContact N-O 3.27Å; I70-F115 WeakPolarHBondContact O-CB 3.28Å; P73-F115 HydrophobicContact CB-CE1 4.39Å; P73-F115 HydrophobicContact CG-CE2 4.45Å; P73-F115 HydrophobicContact CG-CZ 4.27Å; Y91-F115 HydrophobicContact CD1-CE1 4.24Å; Y91-F115 AromaticContact CE1-CD1 3.85Å; Y91-F115 HydrophobicContact CE1-CD1 3.85Å; Y91-F115 AromaticContact CE1-CE1 3.7Å; Y91-F115 HydrophobicContact CE1-CE1 3.7Å; Y91-F115 AromaticContact CZ-CD1 3.77Å; F115-Y117 WeakPolarHBondContact O-CD2 3.19Å; F115-Y117 VanDerWaalsContact O-CE2 3.28Å; F115-Y117 WeakPolarHBondContact O-CE2 3.2Å |
| 116 | T | 97.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.1 | 175.2 | -40.5 | 0 | 0 | 0 | 0 | 113.3 | Q61 E67 F68 V69 K109 K113 R114 | Q61-T116 HydrophobicContact CG-CG2 4.1Å; E67-T116 HydrophobicContact CG-CG2 3.37Å; E67-T116 WeakPolarHBondContact OE2-CG2 3.29Å; F68-T116 CarbonylContact O-C 3.55Å; F68-T116 VanDerWaalsContact O-CA 3.27Å; F68-T116 WeakPolarHBondContact O-CA 3.47Å; F68-T116 VanDerWaalsContact O-CG2 3.22Å; F68-T116 WeakPolarHBondContact O-CG2 3.27Å; V69-T116 HydrophobicContact CB-CG2 4.35Å; K109-T116 WeakPolarHBondContact CD-O 3.33Å; K109-T116 PolarHBondContact NZ-O 3.47Å; K113-T116 HydrophobicContact CB-CG2 4.43Å; K113-T116 VanDerWaalsContact CB-OG1 3.3Å; K113-T116 WeakPolarHBondContact CB-OG1 3.36Å; K113-T116 HydrophobicContact CD-CG2 4.15Å; R114-T116 PolarHBondContact O-N 3.5Å; R114-T116 PolarHBondContact O-OG1 3.32Å; R114-T116 VanDerWaalsContact O-OG1 3.08Å |
| 117 | Y | 97.4 | Very high | 84.8 | Confident | 13 Ų | 13 | 68.7 Ų | 68.7 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.4 | -178.6 | -62.5 | -89.2 | 0 | 0 | 0 | 110 | E67 F68 I70 Y91 L98 Y102 L107 H108 K109 F115 | E67-Y117 WeakPolarHBondContact CA-O 3.48Å; F68-Y117 VanDerWaalsContact CD1-O 3.23Å; F68-Y117 WeakPolarHBondContact CD1-O 3.5Å; F68-Y117 HydrophobicContact CE2-CD2 4.24Å; F68-Y117 HydrophobicContact CZ-CD2 4.34Å; F68-Y117 HydrophobicContact CZ-CG 4.26Å; F68-Y117 PolarHBondContact N-O 3.48Å; F68-Y117 PolarHBondContact O-N 3.04Å; F68-Y117 VanDerWaalsContact O-O 3.14Å; I70-Y117 HydrophobicContact CD1-CD2 4.49Å; I70-Y117 HydrophobicContact CD1-CE2 4.33Å; Y91-Y117 PolarHBondContact OH-OH 3.02Å; L98-Y117 HydrophobicContact CB-CE1 4.25Å; L98-Y117 HydrophobicContact CD1-CD2 4.35Å; L98-Y117 HydrophobicContact CD1-CE1 4.17Å; L98-Y117 HydrophobicContact CD1-CE2 3.78Å; Y102-Y117 HydrophobicContact CE1-CD1 4.25Å; Y102-Y117 HydrophobicContact CE1-CE1 4.08Å; L107-Y117 HydrophobicContact CD1-CD1 3.65Å; L107-Y117 HydrophobicContact CD1-CE1 4.44Å; L107-Y117 HydrophobicContact CD1-CG 4.26Å; H108-Y117 WeakPolarHBondContact O-CA 3.48Å; K109-Y117 HydrophobicContact CB-CD1 4.39Å; K109-Y117 HydrophobicContact CB-CE1 4.4Å; K109-Y117 HydrophobicContact CD-CD1 3.87Å; K109-Y117 HydrophobicContact CD-CE1 3.51Å; K109-Y117 HydrophobicContact CG-CE1 4.5Å; F115-Y117 WeakPolarHBondContact O-CD2 3.19Å; F115-Y117 VanDerWaalsContact O-CE2 3.28Å; F115-Y117 WeakPolarHBondContact O-CE2 3.2Å |
| 118 | K | 95.2 | Very high | 82.7 | Confident | 72 Ų | 72 | 69.3 Ų | 69.3 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.3 | 179.7 | -166.7 | 163.9 | -168.5 | 174.7 | 0 | 111.2 | E64 Y65 G66 E67 L107 H108 | E64-K118 IonicContact OE2-NZ 2.75Å; E64-K118 PolarHBondContact OE2-NZ 3.03Å; Y65-K118 WeakPolarHBondContact O-CE 3.38Å; G66-K118 CarbonylContact O-C 3.38Å; G66-K118 WeakPolarHBondContact O-CA 3.32Å; E67-K118 HydrophobicContact CB-CB 4.34Å; E67-K118 HydrophobicContact CB-CD 4.23Å; E67-K118 HydrophobicContact CB-CG 4.15Å; L107-K118 CarbonylContact C-O 3.53Å; L107-K118 VanDerWaalsContact CA-O 3.29Å; L107-K118 WeakPolarHBondContact CA-O 3.21Å; H108-K118 PolarHBondContact N-O 2.81Å; H108-K118 PolarHBondContact O-N 3.5Å |
| 119 | F | 94.3 | Very high | 80.3 | Confident | 7 Ų | 7 | 73 Ų | 73 | 3% | 0.031 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 137.1 | 172.8 | -83.2 | -71.6 | 0 | 0 | 0 | 110.1 | W42 I45 L46 L49 W60 G66 F68 L107 F121 L124 | W42-F119 HydrophobicContact CB-CE1 4.23Å; W42-F119 HydrophobicContact CE3-CE1 4.45Å; I45-F119 HydrophobicContact CB-CZ 4.43Å; I45-F119 HydrophobicContact CG2-CE2 3.97Å; I45-F119 HydrophobicContact CG2-CZ 3.83Å; L46-F119 HydrophobicContact CD1-CE1 4.47Å; L46-F119 HydrophobicContact CD1-CZ 4.44Å; L46-F119 HydrophobicContact CD2-CD2 3.88Å; L46-F119 HydrophobicContact CD2-CE1 4.25Å; L46-F119 HydrophobicContact CD2-CE2 3.46Å; L46-F119 VanDerWaalsContact CD2-CE2 3.46Å; L46-F119 HydrophobicContact CD2-CG 4.44Å; L46-F119 HydrophobicContact CD2-CZ 3.67Å; L46-F119 HydrophobicContact CG-CE1 4.2Å; L46-F119 HydrophobicContact CG-CE2 4.02Å; L46-F119 HydrophobicContact CG-CZ 3.69Å; L49-F119 HydrophobicContact CD1-CE2 3.99Å; W60-F119 AromaticContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CD2 3.73Å; W60-F119 HydrophobicContact CH2-CE2 4.07Å; W60-F119 AromaticContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CD2 3.87Å; W60-F119 HydrophobicContact CZ3-CE2 4.44Å; G66-F119 PolarHBondContact O-N 2.84Å; F68-F119 AromaticContact CD1-CD2 3.55Å; F68-F119 HydrophobicContact CD1-CD2 3.55Å; F68-F119 AromaticContact CD1-CE2 3.56Å; F68-F119 HydrophobicContact CD1-CE2 3.56Å; F68-F119 AromaticContact CE1-CD2 3.45Å; F68-F119 HydrophobicContact CE1-CD2 3.45Å; F68-F119 VanDerWaalsContact CE1-CD2 3.45Å; F68-F119 AromaticContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CE2 3.24Å; F68-F119 HydrophobicContact CE1-CG 4.26Å; F68-F119 AromaticContact CE1-CZ 3.92Å; F68-F119 HydrophobicContact CE1-CZ 3.92Å; F68-F119 AromaticContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CE2 4Å; F68-F119 HydrophobicContact CZ-CZ 4.36Å; L107-F119 HydrophobicContact CB-CD1 4.26Å; F119-F121 HydrophobicContact CB-CD1 4.34Å; F119-F121 HydrophobicContact CB-CD2 4.34Å; F119-F121 HydrophobicContact CB-CE1 4.05Å; F119-F121 HydrophobicContact CB-CE2 4.1Å; F119-F121 HydrophobicContact CB-CG 4.48Å; F119-F121 HydrophobicContact CB-CZ 3.94Å; F119-F121 HydrophobicContact CD2-CZ 4.48Å; F119-F121 HydrophobicContact CG-CE1 4.43Å; F119-F121 HydrophobicContact CG-CZ 4.39Å; F119-F121 PolarHBondContact O-N 3.03Å; F119-L124 HydrophobicContact CD1-CD1 3.79Å |
| 120 | N | 90.2 | Very high | 77.9 | Confident | 44 Ų | 44 | 73.7 Ų | 73.7 | 24% | 0.235 | 38% | 0.376 | C | S | . | . | trans | -93 | 78.7 | 173.1 | -164.7 | -75.1 | 0 | 0 | 0 | 108.9 | R105 I106 H108 S122 K123 L124 | R105-N120 WeakPolarHBondContact O-CB 3.32Å; I106-N120 PolarHBondContact O-N 3.08Å; H108-N120 PolarHBondContact CE1-ND2 3.15Å; N120-S122 PolarHBondContact O-N 3.12Å; N120-K123 PolarHBondContact O-N 3.11Å; N120-K123 VanDerWaalsContact OD1-CB 3.26Å; N120-K123 WeakPolarHBondContact OD1-CB 3.32Å; N120-K123 WeakPolarHBondContact OD1-CG 3.48Å; N120-K123 PolarHBondContact OD1-N 2.92Å; N120-L124 PolarHBondContact O-N 3.28Å | ||
| 121 | F | 80.4 | Confident | 75.3 | Confident | 44 Ų | 44 | 80.5 Ų | 80.5 | 19% | 0.193 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -58.6 | -35.3 | -177.2 | -71.9 | -57 | 0 | 0 | 0 | 112.7 | L46 W60 Y65 F119 K123 L124 I125 | L46-F121 HydrophobicContact CD2-CE1 4.39Å; L46-F121 HydrophobicContact CD2-CZ 4.44Å; W60-F121 HydrophobicContact CH2-CE2 4.41Å; W60-F121 AromaticContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CH2-CZ 3.85Å; W60-F121 HydrophobicContact CZ3-CZ 4.37Å; Y65-F121 HydrophobicContact CD1-CD2 4.46Å; Y65-F121 HydrophobicContact CE1-CB 4.4Å; Y65-F121 AromaticContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CD2 3.64Å; Y65-F121 HydrophobicContact CE1-CE2 4.38Å; Y65-F121 HydrophobicContact CE1-CG 4.43Å; Y65-F121 HydrophobicContact CE2-CD2 4.09Å; Y65-F121 HydrophobicContact CE2-CE2 4.02Å; Y65-F121 AromaticContact CZ-CD2 3.41Å; Y65-F121 VanDerWaalsContact CZ-CD2 3.41Å; Y65-F121 AromaticContact CZ-CE2 3.79Å; Y65-F121 VanDerWaalsContact OH-CD2 3.29Å; Y65-F121 WeakPolarHBondContact OH-CD2 3.47Å; F119-F121 HydrophobicContact CB-CD1 4.34Å; F119-F121 HydrophobicContact CB-CD2 4.34Å; F119-F121 HydrophobicContact CB-CE1 4.05Å; F119-F121 HydrophobicContact CB-CE2 4.1Å; F119-F121 HydrophobicContact CB-CG 4.48Å; F119-F121 HydrophobicContact CB-CZ 3.94Å; F119-F121 HydrophobicContact CD2-CZ 4.48Å; F119-F121 HydrophobicContact CG-CE1 4.43Å; F119-F121 HydrophobicContact CG-CZ 4.39Å; F119-F121 PolarHBondContact O-N 3.03Å; F121-K123 PolarHBondContact O-N 3.33Å; F121-L124 HydrophobicContact CD1-CD1 4.19Å; F121-L124 PolarHBondContact O-N 3.3Å; F121-I125 WeakPolarHBondContact O-CB 3.23Å; F121-I125 WeakPolarHBondContact O-CD1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.19Å |
| 122 | S | 72.4 | Confident | 72.9 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 59% | 0.594 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -56.1 | -48.5 | 175.3 | -41.7 | 0 | 0 | 0 | 0 | 112.8 | N120 I126 | N120-S122 PolarHBondContact O-N 3.12Å; S122-I126 WeakPolarHBondContact O-CD1 3.41Å; S122-I126 VanDerWaalsContact O-CG1 3.26Å; S122-I126 WeakPolarHBondContact O-CG1 3.33Å; S122-I126 PolarHBondContact O-N 3.08Å |
| 123 | K | 65.4 | Low | 70.3 | Confident | 109 Ų | 109 | 77.6 Ų | 77.6 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -82.4 | -25.8 | 178 | -70.3 | -162.7 | 168.4 | -164.6 | 0 | 114 | R105 N120 F121 V127 | R105-K123 HydrophobicContact CB-CB 4.44Å; R105-K123 HydrophobicContact CB-CD 3.88Å; R105-K123 HydrophobicContact CG-CD 4.21Å; N120-K123 PolarHBondContact O-N 3.11Å; N120-K123 VanDerWaalsContact OD1-CB 3.26Å; N120-K123 WeakPolarHBondContact OD1-CB 3.32Å; N120-K123 WeakPolarHBondContact OD1-CG 3.48Å; N120-K123 PolarHBondContact OD1-N 2.92Å; F121-K123 PolarHBondContact O-N 3.33Å; K123-V127 WeakPolarHBondContact O-CB 3.26Å; K123-V127 VanDerWaalsContact O-CG2 3.23Å; K123-V127 WeakPolarHBondContact O-CG2 3.3Å; K123-V127 PolarHBondContact O-N 3.49Å |
| 124 | L | 63.3 | Low | 67.6 | Low | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 166.6 | -80.5 | 172.7 | 0 | 0 | 0 | 110.3 | W42 I106 F119 N120 F121 V127 N128 | W42-L124 HydrophobicContact CE3-CD2 4.28Å; W42-L124 HydrophobicContact CH2-CD2 3.85Å; W42-L124 HydrophobicContact CZ2-CD2 4.28Å; W42-L124 HydrophobicContact CZ3-CD1 4.4Å; W42-L124 HydrophobicContact CZ3-CD2 3.86Å; I106-L124 HydrophobicContact CB-CD2 4.39Å; I106-L124 HydrophobicContact CG1-CD2 4.01Å; I106-L124 HydrophobicContact CG2-CD2 4.21Å; F119-L124 HydrophobicContact CD1-CD1 3.79Å; N120-L124 PolarHBondContact O-N 3.28Å; F121-L124 HydrophobicContact CD1-CD1 4.19Å; F121-L124 PolarHBondContact O-N 3.3Å; L124-V127 PolarHBondContact O-N 2.99Å; L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.37Å |
| 125 | I | 59.8 | Low | 64.8 | Low | 81 Ų | 81 | 79 Ų | 79 | 42% | 0.415 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 175.8 | -68.4 | 163.1 | 0 | 0 | 0 | 110.4 | F121 V127 N128 Y129 L164 | F121-I125 WeakPolarHBondContact O-CB 3.23Å; F121-I125 WeakPolarHBondContact O-CD1 3.27Å; F121-I125 WeakPolarHBondContact O-CG1 3.35Å; F121-I125 PolarHBondContact O-N 3.19Å; I125-V127 VanDerWaalsContact C-N 3.31Å; I125-V127 PolarHBondContact O-N 3.04Å; I125-N128 CarbonylContact O-C 3.51Å; I125-N128 PolarHBondContact O-N 3.26Å; I125-Y129 WeakPolarHBondContact O-CA 3.39Å; I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.41Å; I125-Y129 PolarHBondContact O-N 3.25Å; I125-L164 HydrophobicContact CD1-CD1 4.16Å |
| 126 | I | 53.3 | Low | 62.1 | Low | 110 Ų | 110 | 81.3 Ų | 81.3 | 56% | 0.564 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.9 | -36.4 | 178.2 | -68 | 162 | 0 | 0 | 0 | 112.7 | S122 Y129 | S122-I126 WeakPolarHBondContact O-CD1 3.41Å; S122-I126 VanDerWaalsContact O-CG1 3.26Å; S122-I126 WeakPolarHBondContact O-CG1 3.33Å; S122-I126 PolarHBondContact O-N 3.08Å; I126-Y129 CarbonylContact O-C 3.57Å |
| 127 | V | 51.2 | Low | 59.2 | Low | 88 Ų | 88 | 86 Ų | 86 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -81.9 | -22.9 | 178.8 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | W26 K123 L124 I125 | W26-V127 HydrophobicContact CZ2-CG1 4.1Å; W26-V127 WeakPolarHBondContact CZ2-O 3.02Å; W26-V127 PolarHBondContact NE1-O 3.34Å; K123-V127 WeakPolarHBondContact O-CB 3.26Å; K123-V127 VanDerWaalsContact O-CG2 3.23Å; K123-V127 WeakPolarHBondContact O-CG2 3.3Å; K123-V127 PolarHBondContact O-N 3.49Å; L124-V127 PolarHBondContact O-N 2.99Å; I125-V127 VanDerWaalsContact C-N 3.31Å; I125-V127 PolarHBondContact O-N 3.04Å |
| 128 | N | 50.7 | Low | 56.2 | Low | 14 Ų | 14 | 90.9 Ų | 90.9 | 8% | 0.075 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -81.4 | -30.6 | 170.4 | -122.6 | -33.3 | 0 | 0 | 0 | 111.8 | P24 W26 L124 I125 P130 W132 | P24-N128 HydrophobicContact CB-CB 4.41Å; P24-N128 WeakPolarHBondContact CB-O 3.36Å; P24-N128 WeakPolarHBondContact CB-OD1 3.15Å; P24-N128 HydrophobicContact CG-CB 3.83Å; P24-N128 WeakPolarHBondContact CG-O 3.32Å; W26-N128 HydrophobicContact CH2-CB 4.47Å; W26-N128 HydrophobicContact CZ2-CB 3.83Å; W26-N128 VanDerWaalsContact CZ2-OD1 3.28Å; W26-N128 WeakPolarHBondContact CZ2-OD1 3.27Å; W26-N128 PolarHBondContact NE1-OD1 2.68Å; L124-N128 WeakPolarHBondContact O-CB 3.32Å; L124-N128 PolarHBondContact O-N 3.37Å; I125-N128 CarbonylContact O-C 3.51Å; I125-N128 PolarHBondContact O-N 3.26Å; N128-P130 WeakPolarHBondContact O-CD 3.39Å; N128-W132 PolarHBondContact O-NE1 2.93Å; N128-W132 VanDerWaalsContact O-NE1 3.13Å |
| 129 | Y | 45 | Very low | 53.9 | Low | 130 Ų | 130 | 92 Ų | 92 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | trans | -114.9 | 55.4 | -178.8 | -124.5 | -75 | 0 | 0 | 0 | 113 | P24 I125 I126 L131 W132 | P24-Y129 HydrophobicContact CG-CD2 3.76Å; P24-Y129 HydrophobicContact CG-CE2 4.16Å; I125-Y129 WeakPolarHBondContact O-CA 3.39Å; I125-Y129 VanDerWaalsContact O-CB 3.27Å; I125-Y129 WeakPolarHBondContact O-CB 3.41Å; I125-Y129 PolarHBondContact O-N 3.25Å; I126-Y129 CarbonylContact O-C 3.57Å; Y129-L131 PolarHBondContact O-N 3.33Å; Y129-W132 AromaticContact CD1-NE1 3.86Å; Y129-W132 HydrophobicContact CE2-CZ2 4.09Å; Y129-W132 AromaticContact CG-NE1 3.83Å | ||
| 130 | P | 44.2 | Very low | 51.4 | Low | 82 Ų | 82 | 97.6 Ų | 97.6 | 53% | 0.532 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -74.7 | 71.2 | 178.5 | 33.8 | -38.7 | 0 | 0 | 0 | 111.6 | N128 W132 | N128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-W132 PolarHBondContact O-N 3.41Å |
| 131 | L | 42.4 | Very low | 48.9 | Very low | 165 Ų | 165 | 103.6 Ų | 103.6 | 86% | 0.864 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 52.7 | 26.5 | 173.6 | -165.2 | 57.7 | 0 | 0 | 0 | 114.2 | Y129 E133 | Y129-L131 PolarHBondContact O-N 3.33Å; L131-E133 PolarHBondContact O-N 2.97Å |
| 132 | W | 43.1 | Very low | 47.1 | Very low | 107 Ų | 107 | 109.8 Ų | 109.8 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | trans | -75.5 | 95 | -174.9 | 62.7 | -83 | 0 | 0 | 0 | 110.8 | P24 N128 Y129 P130 | P24-W132 HydrophobicContact CB-CZ2 3.57Å; P24-W132 HydrophobicContact CG-CZ2 3.88Å; N128-W132 PolarHBondContact O-NE1 2.93Å; N128-W132 VanDerWaalsContact O-NE1 3.13Å; Y129-W132 AromaticContact CD1-NE1 3.86Å; Y129-W132 HydrophobicContact CE2-CZ2 4.09Å; Y129-W132 AromaticContact CG-NE1 3.83Å; P130-W132 PolarHBondContact O-N 3.41Å | ||
| 133 | E | 40.7 | Very low | 45.9 | Very low | 115 Ų | 115 | 113.8 Ų | 113.8 | 54% | 0.537 | 60% | 0.6 | S | S | . | * | trans | 60.8 | 96.3 | 164.2 | -56.8 | -169.3 | 150.1 | 0 | 0 | 116.6 | L131 R135 | L131-E133 PolarHBondContact O-N 2.97Å; E133-R135 HydrophobicContact CB-CB 4.12Å; E133-R135 VanDerWaalsContact CD-NE 3.29Å; E133-R135 PolarHBondContact O-N 2.67Å; E133-R135 IonicContact OE1-CZ 3.63Å; E133-R135 IonicContact OE1-NE 3.81Å; E133-R135 PolarHBondContact OE1-NE 3.06Å; E133-R135 IonicContact OE1-NH2 2.85Å; E133-R135 PolarHBondContact OE1-NH2 3.19Å; E133-R135 IonicContact OE2-CZ 3.03Å; E133-R135 IonicContact OE2-NE 2.63Å; E133-R135 PolarHBondContact OE2-NE 3.31Å; E133-R135 IonicContact OE2-NH2 3.56Å; E133-R135 PolarHBondContact OE2-NH2 2.73Å | ||
| 134 | V | 39.4 | Very low | 44.7 | Very low | 135 Ų | 135 | 117.1 Ų | 117.1 | 82% | 0.818 | 62% | 0.622 | S | S | * | * | trans | -67 | 65.4 | 134.8 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | V136 | V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 HydrophobicContact CG1-CG2 4.04Å; V134-V136 PolarHBondContact O-N 2.81Å | ||
| 135 | R | 38.4 | Very low | 43.6 | Very low | 183 Ų | 183 | 120.2 Ų | 120.2 | 69% | 0.691 | 66% | 0.658 | S | S | * | * | trans | -79.3 | 91.1 | 154.6 | -108.2 | -163.3 | -78.9 | -159.3 | -10 | 105.6 | E133 | E133-R135 HydrophobicContact CB-CB 4.12Å; E133-R135 VanDerWaalsContact CD-NE 3.29Å; E133-R135 PolarHBondContact O-N 2.67Å; E133-R135 IonicContact OE1-CZ 3.63Å; E133-R135 IonicContact OE1-NE 3.81Å; E133-R135 PolarHBondContact OE1-NE 3.06Å; E133-R135 IonicContact OE1-NH2 2.85Å; E133-R135 PolarHBondContact OE1-NH2 3.19Å; E133-R135 IonicContact OE2-CZ 3.03Å; E133-R135 IonicContact OE2-NE 2.63Å; E133-R135 PolarHBondContact OE2-NE 3.31Å; E133-R135 IonicContact OE2-NH2 3.56Å; E133-R135 PolarHBondContact OE2-NH2 2.73Å | ||
| 136 | V | 40.8 | Very low | 42.4 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 65% | 0.648 | 67% | 0.673 | S | S | * | * | trans | -49.1 | 123.7 | 158.6 | -179.4 | 0 | 0 | 0 | 0 | 106 | V134 | V134-V136 VanDerWaalsContact C-N 3.28Å; V134-V136 HydrophobicContact CG1-CG2 4.04Å; V134-V136 PolarHBondContact O-N 2.81Å | ||
| 137 | P | 36.2 | Very low | 41.8 | Very low | 102 Ų | 102 | 122 Ų | 122 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | trans | -58.1 | 131 | 176.7 | 24.7 | -33 | 0 | 0 | 0 | 107.4 | S139 | P137-S139 PolarHBondContact O-N 3.24Š| ||
| 138 | P | 34.3 | Very low | 41.1 | Very low | 115 Ų | 115 | 121.5 Ų | 121.5 | 75% | 0.747 | 70% | 0.695 | S | S | * | * | trans | -60.3 | 109 | -179.7 | 24.3 | -32.6 | 0 | 0 | 0 | 108 | ||||
| 139 | S | 47.4 | Very low | 40.9 | Very low | 95 Ų | 95 | 129.5 Ų | 129.5 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 135.1 | 176.8 | 34.8 | 0 | 0 | 0 | 0 | 108.5 | P137 H141 | P137-S139 PolarHBondContact O-N 3.24Å; S139-H141 PolarHBondContact O-N 2.76Å |
| 140 | P | 41.8 | Very low | 40.3 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 127.2 | -177 | -29.4 | 35.9 | 0 | 0 | 0 | 111.4 | L142 | P140-L142 PolarHBondContact O-N 3.12Š|
| 141 | H | 37.4 | Very low | 39.9 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.787 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 118.2 | -164.8 | -55.5 | -82 | 0 | 0 | 0 | 112.8 | S139 | S139-H141 PolarHBondContact O-N 2.76Š|
| 142 | L | 42.9 | Very low | 39.7 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 127.4 | 151.3 | -70.2 | -177.7 | 0 | 0 | 0 | 108.7 | P140 L144 | P140-L142 PolarHBondContact O-N 3.12Å; L142-L144 PolarHBondContact O-N 2.9Å |
| 143 | L | 45.8 | Very low | 39.2 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 88% | 0.88 | 78% | 0.78 | S | S | * | * | trans | -79 | 110.6 | -173.8 | -72.1 | 162.5 | 0 | 0 | 0 | 111.6 | ||||
| 144 | L | 41 | Very low | 39.4 | Very low | 179 Ų | 179 | 133.7 Ų | 133.7 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -159.1 | 145 | 133.2 | -143.4 | 57.8 | 0 | 0 | 0 | 110.8 | L142 | L142-L144 PolarHBondContact O-N 2.9Š| ||
| 145 | G | 40.2 | Very low | 39.5 | Very low | 79 Ų | 79 | 133 Ų | 133 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | trans | -103.6 | 128.3 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 146 | A | 34.7 | Very low | 39.6 | Very low | 88 Ų | 88 | 129.5 Ų | 129.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -160.4 | 137.1 | 155 | 0 | 0 | 0 | 0 | 0 | 110.2 | A148 | A146-A148 PolarHBondContact O-N 3.09Š| ||
| 147 | P | 40 | Very low | 39.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | trans | -85.5 | 91 | 174.5 | 33.1 | -31.9 | 0 | 0 | 0 | 110.9 | ||||
| 148 | A | 36 | Very low | 40.1 | Very low | 79 Ų | 79 | 128.4 Ų | 128.4 | 65% | 0.653 | 79% | 0.793 | S | S | * | * | trans | -91 | 128.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | A146 C150 | A146-A148 PolarHBondContact O-N 3.09Å; A148-C150 PolarHBondContact O-N 3.3Å | ||
| 149 | L | 47.9 | Very low | 40.5 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 95% | 0.953 | 79% | 0.791 | S | S | * | * | trans | -71.6 | 119.9 | 167.5 | -71.6 | 169 | 0 | 0 | 0 | 109 | ||||
| 150 | C | 31.5 | Very low | 40.3 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 76% | 0.764 | 79% | 0.794 | S | S | * | * | trans | -122.6 | 134.1 | 175.3 | -65.5 | 0 | 0 | 0 | 0 | 111 | A148 | A148-C150 PolarHBondContact O-N 3.3Š| ||
| 151 | Q | 36.5 | Very low | 40.3 | Very low | 185 Ų | 185 | 129.1 Ų | 129.1 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | trans | -70.8 | 159.7 | 176.7 | -65.9 | -177.6 | -80.2 | 0 | 0 | 111.8 | A153 | Q151-A153 PolarHBondContact O-N 3.45Š| ||
| 152 | P | 37 | Very low | 40.3 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -64.6 | 104.5 | 166.7 | -16.5 | 30.9 | 0 | 0 | 0 | 110.6 | ||||
| 153 | A | 32.8 | Very low | 40.5 | Very low | 89 Ų | 89 | 124.9 Ų | 124.9 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | trans | -70.7 | 133.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q151 V155 | Q151-A153 PolarHBondContact O-N 3.45Å; A153-V155 PolarHBondContact O-N 3.25Å | ||
| 154 | L | 46.2 | Very low | 40.8 | Very low | 166 Ų | 166 | 120.3 Ų | 120.3 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | trans | -84.2 | 113.6 | -173.8 | -167.3 | 158.4 | 0 | 0 | 0 | 110.3 | ||||
| 155 | V | 39.6 | Very low | 40.8 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | trans | -106.5 | 138.2 | -179.9 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | A153 | A153-V155 PolarHBondContact O-N 3.25Š| ||
| 156 | P | 40.8 | Very low | 40.9 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 70% | 0.701 | 70% | 0.702 | S | S | * | * | trans | -76.7 | 150.9 | -159.9 | -19.6 | 34.7 | 0 | 0 | 0 | 116.8 | G158 | P156-G158 PolarHBondContact O-N 3.21Š| ||
| 157 | V | 45.8 | Very low | 41.5 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 88% | 0.879 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -81 | 52.7 | 179.2 | -164.1 | 0 | 0 | 0 | 0 | 111.9 | ||
| 158 | G | 43.2 | Very low | 42.2 | Very low | 42 Ų | 42 | 112.3 Ų | 112.3 | 43% | 0.433 | 66% | 0.655 | S | S | . | * | trans | -96 | -67.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P156 Q160 S161 | P156-G158 PolarHBondContact O-N 3.21Å; G158-Q160 VanDerWaalsContact C-N 3.29Å; G158-Q160 PolarHBondContact O-N 3.29Å; G158-Q160 VanDerWaalsContact O-N 3.12Å; G158-S161 PolarHBondContact O-N 3.33Å | ||
| 159 | V | 42.8 | Very low | 42.7 | Very low | 117 Ų | 117 | 114.7 Ų | 114.7 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.8 | -24.9 | -158.8 | -159.8 | 0 | 0 | 0 | 0 | 114.7 | S161 | V159-S161 PolarHBondContact O-N 3.1Å |
| 160 | Q | 42.1 | Very low | 42.7 | Very low | 158 Ų | 158 | 109.7 Ų | 109.7 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.8 | -23.2 | -174.8 | -67.8 | -72.6 | 20.2 | 0 | 0 | 114.2 | G158 | G158-Q160 VanDerWaalsContact C-N 3.29Å; G158-Q160 PolarHBondContact O-N 3.29Å; G158-Q160 VanDerWaalsContact O-N 3.12Å |
| 161 | S | 42.8 | Very low | 43.5 | Very low | 75 Ų | 75 | 109.5 Ų | 109.5 | 52% | 0.524 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -76.4 | -35.7 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 112 | G158 V159 H165 | G158-S161 PolarHBondContact O-N 3.33Å; V159-S161 PolarHBondContact O-N 3.1Å; S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.19Å |
| 162 | E | 37.5 | Very low | 43.8 | Very low | 137 Ų | 137 | 105.7 Ų | 105.7 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.4 | -38.5 | -170.7 | -60.2 | -174.3 | 134.9 | 0 | 0 | 112.7 | L164 H165 S166 | E162-L164 PolarHBondContact O-N 2.77Å; E162-H165 WeakPolarHBondContact O-CB 3.28Å; E162-H165 PolarHBondContact O-N 3.23Å; E162-S166 WeakPolarHBondContact O-CB 3.49Å; E162-S166 PolarHBondContact O-N 2.84Å |
| 163 | L | 46.9 | Very low | 44 | Very low | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.8 | -37.8 | -179 | -154.3 | 92.7 | 0 | 0 | 0 | 112.4 | M167 | L163-M167 PolarHBondContact O-N 3.44Å |
| 164 | L | 50.8 | Low | 44.3 | Very low | 73 Ų | 73 | 103.5 Ų | 103.5 | 38% | 0.382 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -77.9 | -33.8 | 173.7 | -71.8 | 178.9 | 0 | 0 | 0 | 112.1 | I125 E162 S166 M167 L168 | I125-L164 HydrophobicContact CD1-CD1 4.16Å; E162-L164 PolarHBondContact O-N 2.77Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.73Å; L164-M167 HydrophobicContact CD2-CE 3.99Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.93Å |
| 165 | H | 42 | Very low | 44.5 | Very low | 123 Ų | 123 | 97.7 Ų | 97.7 | 57% | 0.569 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.7 | -48.5 | 168.5 | -117.7 | -106.4 | 0 | 0 | 0 | 110.4 | S161 E162 L168 F169 | S161-H165 WeakPolarHBondContact O-CB 3.37Å; S161-H165 PolarHBondContact O-N 3.19Å; E162-H165 WeakPolarHBondContact O-CB 3.28Å; E162-H165 PolarHBondContact O-N 3.23Å; H165-L168 PolarHBondContact O-N 2.66Å; H165-F169 WeakPolarHBondContact O-CB 3.39Å; H165-F169 PolarHBondContact O-N 3.34Å |
| 166 | S | 41.3 | Very low | 44.6 | Very low | 69 Ų | 69 | 97.3 Ų | 97.3 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -55.2 | -53.4 | 178.9 | 177.4 | 0 | 0 | 0 | 0 | 113.2 | E162 L164 L168 F169 T170 | E162-S166 WeakPolarHBondContact O-CB 3.49Å; E162-S166 PolarHBondContact O-N 2.84Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-S166 PolarHBondContact O-N 2.73Å; S166-L168 VanDerWaalsContact C-N 3.25Å; S166-L168 PolarHBondContact O-N 3.19Å; S166-F169 PolarHBondContact O-N 2.82Å; S166-T170 WeakPolarHBondContact O-CG2 3.37Å; S166-T170 PolarHBondContact O-N 3.13Å; S166-T170 PolarHBondContact O-OG1 2.8Å |
| 167 | M | 48.2 | Very low | 44.6 | Very low | 59 Ų | 59 | 99.4 Ų | 99.4 | 29% | 0.291 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.4 | -23.2 | 179.2 | -80.8 | -166.7 | -67.3 | 0 | 0 | 114.5 | L21 L163 L164 T170 | L21-M167 HydrophobicContact CD1-SD 4.24Å; L21-M167 HydrophobicContact CD2-CE 3.56Å; L21-M167 HydrophobicContact CD2-SD 4.27Å; L21-M167 HydrophobicContact CG-CE 3.78Å; L21-M167 HydrophobicContact CG-SD 3.87Å; L163-M167 PolarHBondContact O-N 3.44Å; L164-M167 HydrophobicContact CD2-CE 3.99Å; M167-T170 WeakPolarHBondContact CA-OG1 3.47Å; M167-T170 PolarHBondContact O-OG1 3.47Å; M167-T170 VanDerWaalsContact O-OG1 3.13Å |
| 168 | L | 55 | Low | 44.4 | Very low | 66 Ų | 66 | 98.5 Ų | 98.5 | 35% | 0.346 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -87.1 | -34.1 | 175.9 | -63.6 | 175.3 | 0 | 0 | 0 | 111.5 | Y65 L164 H165 S166 H171 Q172 | Y65-L168 HydrophobicContact CD2-CD2 4.33Å; Y65-L168 HydrophobicContact CE1-CD1 3.98Å; Y65-L168 HydrophobicContact CE2-CD1 3.79Å; Y65-L168 HydrophobicContact CE2-CD2 3.45Å; Y65-L168 VanDerWaalsContact CE2-CD2 3.45Å; Y65-L168 HydrophobicContact CE2-CG 4.22Å; Y65-L168 VanDerWaalsContact CZ-CD1 3.47Å; Y65-L168 WeakPolarHBondContact OH-CD1 3.18Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CD1 3.32Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.93Å; H165-L168 PolarHBondContact O-N 2.66Å; S166-L168 VanDerWaalsContact C-N 3.25Å; S166-L168 PolarHBondContact O-N 3.19Å; L168-H171 PolarHBondContact O-N 3.19Å; L168-Q172 PolarHBondContact O-N 3.02Å |
| 169 | F | 47 | Very low | 44.2 | Very low | 128 Ų | 128 | 100.1 Ų | 100.1 | 56% | 0.561 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.5 | -40 | 171.5 | -122.9 | -91.5 | 0 | 0 | 0 | 111.9 | H165 S166 H171 Q172 A173 | H165-F169 WeakPolarHBondContact O-CB 3.39Å; H165-F169 PolarHBondContact O-N 3.34Å; S166-F169 PolarHBondContact O-N 2.82Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 2.9Å; F169-Q172 PolarHBondContact O-N 2.58Å; F169-Q172 VanDerWaalsContact O-N 3.16Å; F169-A173 WeakPolarHBondContact O-CB 3.4Å; F169-A173 PolarHBondContact O-N 2.83Å |
| 170 | T | 47.1 | Very low | 43.8 | Very low | 77 Ų | 77 | 97.4 Ų | 97.4 | 47% | 0.472 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 111.5 | S166 M167 M174 | S166-T170 WeakPolarHBondContact O-CG2 3.37Å; S166-T170 PolarHBondContact O-N 3.13Å; S166-T170 PolarHBondContact O-OG1 2.8Å; M167-T170 WeakPolarHBondContact CA-OG1 3.47Å; M167-T170 PolarHBondContact O-OG1 3.47Å; M167-T170 VanDerWaalsContact O-OG1 3.13Å; T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.19Å; T170-M174 WeakPolarHBondContact O-CG 3.2Å; T170-M174 PolarHBondContact O-N 3.27Å |
| 171 | H | 47.3 | Very low | 43.5 | Very low | 110 Ų | 110 | 97.7 Ų | 97.7 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -39.8 | 170.4 | -173.2 | -75.6 | 0 | 0 | 0 | 112.2 | L168 F169 V175 | L168-H171 PolarHBondContact O-N 3.19Å; F169-H171 VanDerWaalsContact C-N 3.33Å; F169-H171 PolarHBondContact O-N 2.9Å; H171-V175 WeakPolarHBondContact O-CG2 3.18Å; H171-V175 PolarHBondContact O-N 2.73Å |
| 172 | Q | 44.6 | Very low | 43.1 | Very low | 104 Ų | 104 | 102 Ų | 102 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 176.4 | -175.7 | 165.2 | -22.4 | 0 | 0 | 112 | L168 F169 M174 V175 E176 | L168-Q172 PolarHBondContact O-N 3.02Å; F169-Q172 PolarHBondContact O-N 2.58Å; F169-Q172 VanDerWaalsContact O-N 3.16Å; Q172-M174 PolarHBondContact O-N 3.3Å; Q172-V175 PolarHBondContact O-N 3.32Å; Q172-V175 VanDerWaalsContact O-N 3.1Å; Q172-E176 PolarHBondContact O-N 2.88Å |
| 173 | A | 41.3 | Very low | 42.5 | Very low | 45 Ų | 45 | 101.4 Ų | 101.4 | 37% | 0.372 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F169 V175 E176 Q177 | F169-A173 WeakPolarHBondContact O-CB 3.4Å; F169-A173 PolarHBondContact O-N 2.83Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.99Å; A173-E176 PolarHBondContact O-N 2.87Å; A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 WeakPolarHBondContact O-CG 3.31Å; A173-Q177 PolarHBondContact O-N 3.22Å |
| 174 | M | 38.8 | Very low | 41.6 | Very low | 132 Ų | 132 | 101.9 Ų | 101.9 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.6 | -38.5 | 172.8 | -74.9 | -88.1 | -75 | 0 | 0 | 112 | T170 Q172 L178 | T170-M174 VanDerWaalsContact O-CB 3.27Å; T170-M174 WeakPolarHBondContact O-CB 3.19Å; T170-M174 WeakPolarHBondContact O-CG 3.2Å; T170-M174 PolarHBondContact O-N 3.27Å; Q172-M174 PolarHBondContact O-N 3.3Å; M174-L178 PolarHBondContact O-N 3.04Å |
| 175 | V | 49 | Very low | 40.5 | Very low | 43 Ų | 43 | 109.6 Ų | 109.6 | 26% | 0.261 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.4 | -36.3 | 177.9 | 172.3 | 0 | 0 | 0 | 0 | 111.7 | Q62 H171 Q172 A173 L178 A179 | Q62-V175 VanDerWaalsContact NE2-CG1 3.34Å; H171-V175 WeakPolarHBondContact O-CG2 3.18Å; H171-V175 PolarHBondContact O-N 2.73Å; Q172-V175 PolarHBondContact O-N 3.32Å; Q172-V175 VanDerWaalsContact O-N 3.1Å; A173-V175 VanDerWaalsContact C-N 3.3Å; A173-V175 PolarHBondContact O-N 2.99Å; V175-L178 PolarHBondContact O-N 2.88Å; V175-A179 PolarHBondContact O-N 2.87Å; V175-A179 VanDerWaalsContact O-N 3.1Å |
| 176 | E | 43.2 | Very low | 40.1 | Very low | 114 Ų | 114 | 112.7 Ų | 112.7 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -70.3 | -36.8 | 175.2 | -71.3 | 175.2 | 149.9 | 0 | 0 | 112.4 | Q172 A173 L178 A179 G180 | Q172-E176 PolarHBondContact O-N 2.88Å; A173-E176 PolarHBondContact O-N 2.87Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.17Å; E176-A179 PolarHBondContact O-N 3.32Å; E176-A179 VanDerWaalsContact O-N 3.17Å; E176-G180 PolarHBondContact O-N 2.74Å; E176-G180 VanDerWaalsContact O-N 3.12Å |
| 177 | Q | 40.2 | Very low | 39.8 | Very low | 153 Ų | 153 | 114.2 Ų | 114.2 | 72% | 0.715 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.4 | -37.5 | 171.9 | -77.1 | -69.1 | -73.1 | 0 | 0 | 112.8 | A173 | A173-Q177 WeakPolarHBondContact O-CB 3.37Å; A173-Q177 WeakPolarHBondContact O-CG 3.31Å; A173-Q177 PolarHBondContact O-N 3.22Å |
| 178 | L | 41.1 | Very low | 39.3 | Very low | 126 Ų | 126 | 117 Ų | 117 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.4 | -25.8 | 174.8 | -96.2 | 146 | 0 | 0 | 0 | 113.3 | M174 V175 E176 | M174-L178 PolarHBondContact O-N 3.04Å; V175-L178 PolarHBondContact O-N 2.88Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.17Å |
| 179 | A | 39.4 | Very low | 38.2 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 62% | 0.62 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -73.2 | -34.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V175 E176 Q181 | V175-A179 PolarHBondContact O-N 2.87Å; V175-A179 VanDerWaalsContact O-N 3.1Å; E176-A179 PolarHBondContact O-N 3.32Å; E176-A179 VanDerWaalsContact O-N 3.17Å; A179-Q181 PolarHBondContact O-N 2.75Å |
| 180 | G | 34.3 | Very low | 37.6 | Very low | 61 Ų | 61 | 122.1 Ų | 122.1 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | E176 | E176-G180 PolarHBondContact O-N 2.74Å; E176-G180 VanDerWaalsContact O-N 3.12Å |
| 181 | Q | 34.8 | Very low | 37.5 | Very low | 164 Ų | 164 | 125 Ų | 125 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 2.5 | -173.2 | -72.8 | -77.8 | 16.2 | 0 | 0 | 114.5 | A179 | A179-Q181 PolarHBondContact O-N 2.75Š|
| 182 | Q | 34.7 | Very low | 36.9 | Very low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | trans | -119.4 | 66.2 | 179.3 | -67.9 | -163.4 | 36.2 | 0 | 0 | 113.3 | ||||
| 183 | T | 26.1 | Very low | 36.4 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 71% | 0.712 | S | S | * | * | trans | -103.8 | 112.5 | 159.8 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | R185 | T183-R185 PolarHBondContact O-N 3.43Š| ||
| 184 | P | 28.2 | Very low | 36.1 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | trans | -60 | 118.9 | 176.2 | -24 | 34.7 | 0 | 0 | 0 | 111 | ||||
| 185 | R | 26.8 | Very low | 35.8 | Very low | 235 Ų | 235 | 136.2 Ų | 136.2 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | trans | -99.5 | 96.9 | 179.2 | -170.4 | 179.4 | -174.2 | -178.7 | 2.1 | 109.5 | T183 P187 | T183-R185 PolarHBondContact O-N 3.43Å; R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.39Å | ||
| 186 | E | 34.6 | Very low | 34.8 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -79.7 | 124.6 | 172.9 | -176.1 | -174.8 | 161.5 | 0 | 0 | 111.1 | ||||
| 187 | P | 33.2 | Very low | 34.2 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | trans | -145.2 | 177 | 147.2 | 46.5 | -33.4 | 0 | 0 | 0 | 111.6 | R185 | R185-P187 VanDerWaalsContact O-CD 3.24Å; R185-P187 WeakPolarHBondContact O-CD 3.39Å | ||
| 188 | P | 38.5 | Very low | 33.9 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -121.4 | 161.3 | -86.7 | 28.7 | -8.9 | 0 | 0 | 0 | 112.9 | |||||
| 189 | E | 32.1 | Very low | 33.5 | Very low | 207 Ų | 207 | 135.3 Ų | 135.3 | 97% | 0.967 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 145.9 | 176.8 | -67.5 | -150 | 117.1 | 0 | 0 | 113.8 | ||||
| 190 | A | 34.9 | Very low | 33.1 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -144.3 | 149.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 191 | P | 45.1 | Very low | 33.1 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -92.7 | 158.9 | -154.2 | 35.3 | -37.8 | 0 | 0 | 0 | 116 | ||||
| 192 | G | 33.4 | Very low | 32.9 | Very low | 74 Ų | 74 | 139.8 Ų | 139.8 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | -157.4 | 132.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 193 | D | 34.2 | Very low | 32.7 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -75.8 | 146.8 | -168.3 | -50.8 | -104.8 | 0 | 0 | 0 | 115.8 | ||||
| 194 | K | 36.1 | Very low | 33 | Very low | 195 Ų | 195 | 144.6 Ų | 144.6 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | 179.3 | 127.4 | 103 | -95.5 | 148.7 | -165.9 | 163.2 | 0 | 117 | |||||
| 195 | K | 31.5 | Very low | 32.9 | Very low | 208 Ų | 208 | 141.6 Ų | 141.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | 66.1 | 111.6 | 128.7 | -169.4 | -176.9 | -177 | -179.4 | 0 | 120.4 | |||||
| 196 | G | 28.2 | Very low | 33.2 | Very low | 65 Ų | 65 | 136.8 Ų | 136.8 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 160.3 | 94.6 | 141.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 197 | S | 32.1 | Very low | 32.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 64.1 | 156.3 | 157.1 | -67.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 198 | S | 33.4 | Very low | 33.7 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | cis | -167.1 | 144.7 | -22.6 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 199 | S | 32.1 | Very low | 33.4 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | trans | 62.4 | 160.2 | 179.3 | 78.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 200 | S | 30.9 | Very low | 34.7 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 65% | 0.65 | 79% | 0.787 | S | S | * | * | cis | -149.1 | 124.5 | 11 | 169.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 201 | I | 33.6 | Very low | 34.3 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 79% | 0.786 | S | S | * | * | 46.4 | 115.6 | 102.9 | -67.9 | 173.7 | 0 | 0 | 0 | 112.7 | |||||
| 202 | H | 31.2 | Very low | 33.6 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | cis | -129.6 | -147.3 | 2.1 | -72 | -71.7 | 0 | 0 | 0 | 110.5 | ||||
| 203 | R | 30.3 | Very low | 33.5 | Very low | 221 Ų | 221 | 135.5 Ų | 135.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | cis | -160.3 | -174.6 | 2.6 | -142.8 | 169.6 | -156.1 | -157.9 | 4.4 | 112 | ||||
| 204 | L | 32.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 131.6 Ų | 131.6 | 89% | 0.885 | 78% | 0.782 | S | S | * | * | trans | -62.5 | 158.5 | 171.1 | -76.3 | 60.8 | 0 | 0 | 0 | 111.9 | ||||
| 205 | G | 26.8 | Very low | 34.1 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | cis | 158.4 | 179.1 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 206 | S | 32.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 123.6 Ų | 123.6 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | trans | 68.3 | 142.6 | 170.8 | -59.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 207 | A | 28.4 | Very low | 34.4 | Very low | 88 Ų | 88 | 126.4 Ų | 126.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -122.8 | -163 | 159.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 208 | P | 50.1 | Low | 34.4 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | cis | -137.7 | -160.7 | -10.4 | 26.9 | -0.2 | 0 | 0 | 0 | 113.7 | ||||
| 209 | V | 32.5 | Very low | 34.2 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 73.1 | 169.5 | 158.1 | -106.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 210 | P | 58.5 | Low | 34 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | -137.9 | -140.7 | -124.1 | 47.8 | -25.4 | 0 | 0 | 0 | 114.9 | |||||
| 211 | C | 27.6 | Very low | 33.9 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | 115.5 | 129.8 | 169.5 | -67.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 212 | Q | 31.3 | Very low | 33.6 | Very low | 167 Ų | 167 | 131.7 Ų | 131.7 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | cis | 98.1 | 139.5 | 31.6 | -75.2 | -80.3 | 41.1 | 0 | 0 | 114 | ||||
| 213 | L | 30.7 | Very low | 33.5 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | 66.6 | 150.9 | -174.7 | -55.2 | 106.8 | 0 | 0 | 0 | 115.1 | ||||
| 214 | G | 29.8 | Very low | 33.4 | Very low | 68 Ų | 68 | 125.5 Ų | 125.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -158.3 | -178.5 | 2.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 215 | P | 53.3 | Low | 33.2 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -129.3 | -162.7 | -147.9 | 42.5 | -27.4 | 0 | 0 | 0 | 117.3 | ||||
| 216 | C | 31.1 | Very low | 33.6 | Very low | 110 Ų | 110 | 131 Ų | 131 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | 88.6 | 148.4 | 173.2 | -56.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 217 | C | 34.5 | Very low | 34 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | cis | -130.5 | 174.7 | 19.8 | -64.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 218 | H | 31.5 | Very low | 34 | Very low | 180 Ų | 180 | 129.9 Ų | 129.9 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | trans | -88.9 | 162.9 | -178.1 | -54.9 | -104.4 | 0 | 0 | 0 | 114.5 | ||||
| 219 | L | 29.9 | Very low | 33.3 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | -173.2 | 147.8 | 104 | -163.7 | 64.6 | 0 | 0 | 0 | 112.5 | |||||
| 220 | G | 28.2 | Very low | 33.2 | Very low | 76 Ų | 76 | 129.5 Ų | 129.5 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 112.6 | 108.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 221 | S | 27.7 | Very low | 32.3 | Very low | 117 Ų | 117 | 129.9 Ų | 129.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -139.9 | 137.8 | 178 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 222 | V | 28.1 | Very low | 32.6 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -139 | 99 | 161.3 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 223 | Q | 29.3 | Very low | 33.2 | Very low | 186 Ų | 186 | 133.2 Ų | 133.2 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | 30.9 | 124.8 | 131.3 | -148.6 | 165.8 | 43.5 | 0 | 0 | 118.6 | ||||
| 224 | G | 27.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 130.2 Ų | 130.2 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | cis | 173 | -176.1 | -1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 225 | E | 28.3 | Very low | 34.4 | Very low | 196 Ų | 196 | 133 Ų | 133 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | 61.8 | 103.8 | 168.8 | -64.3 | -101.4 | 77.6 | 0 | 0 | 119.1 | ||||
| 226 | L | 34.6 | Very low | 34.2 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -83.8 | 155.8 | 144.8 | -84.9 | 169.1 | 0 | 0 | 0 | 107.6 | ||||
| 227 | P | 40.1 | Very low | 35.4 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | -156.4 | -177.3 | 58.6 | 42.9 | -22.3 | 0 | 0 | 0 | 117.6 | |||||
| 228 | G | 29.3 | Very low | 36.4 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | 117.5 | 116.9 | 141.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 229 | V | 35.8 | Very low | 36.9 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 93% | 0.933 | 81% | 0.806 | S | S | * | * | trans | -48.7 | 132.7 | 163.2 | -85.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 230 | A | 30.6 | Very low | 37.7 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | -162.2 | 153.4 | 145.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 231 | S | 38.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 139 | 173.1 | -48.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | F | 35.2 | Very low | 39 | Very low | 200 Ų | 200 | 131.8 Ų | 131.8 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -106.1 | 111.7 | 167.4 | -81.3 | -80.4 | 0 | 0 | 0 | 111.9 | ||||
| 233 | I | 43.9 | Very low | 39.4 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 136.7 | 167.9 | -62.1 | 168.8 | 0 | 0 | 0 | 107.5 | ||
| 234 | P | 44.8 | Very low | 40 | Very low | 111 Ų | 111 | 135 Ų | 135 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 144.1 | 176 | 27.4 | -34.6 | 0 | 0 | 0 | 111.3 | ||
| 235 | P | 40.8 | Very low | 40.3 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69 | 143.8 | -170.4 | 27.2 | -35.1 | 0 | 0 | 0 | 113.3 | ||
| 236 | L | 49.3 | Very low | 40.4 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72 | 139.3 | 174.9 | -158.2 | 75.3 | 0 | 0 | 0 | 110.5 | ||
| 237 | P | 55.8 | Low | 40.2 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -67 | 154.1 | 171.9 | 28.2 | -35.4 | 0 | 0 | 0 | 112.1 | ||
| 238 | P | 54.8 | Low | 39.9 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 154.6 | 178.6 | 29.6 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 239 | P | 41.6 | Very low | 40.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 147.2 | -177.2 | 29.4 | -35.4 | 0 | 0 | 0 | 113.1 | ||
| 240 | L | 47.3 | Very low | 40.9 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 157.2 | 169.6 | -119.2 | 72.2 | 0 | 0 | 0 | 111.4 | ||
| 241 | P | 37.1 | Very low | 40.9 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.3 | 171.7 | -22.3 | 34.8 | 0 | 0 | 0 | 113 | D243 | P241-D243 PolarHBondContact O-N 3.19Š|
| 242 | S | 46.6 | Very low | 41.1 | Very low | 112 Ų | 112 | 141.3 Ų | 141.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -91.2 | 91.1 | -174.8 | -57.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 243 | D | 37.3 | Very low | 41.4 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | trans | -133 | 8.8 | 174.4 | -89.2 | -50.8 | 0 | 0 | 0 | 114.7 | P241 | P241-D243 PolarHBondContact O-N 3.19Š| ||
| 244 | W | 40.4 | Very low | 41.3 | Very low | 251 Ų | 251 | 135.3 Ų | 135.3 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | trans | -131.4 | 73.3 | 178.3 | -68.9 | 86.8 | 0 | 0 | 0 | 112.2 | ||||
| 245 | T | 34.4 | Very low | 41.2 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -125.4 | 145.9 | 168.2 | 47.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 246 | C | 31.6 | Very low | 41 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | trans | 65.9 | 135 | -158.5 | -80.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 247 | L | 28.7 | Very low | 40.1 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | cis | -119.4 | 137.5 | 10.7 | -69.3 | 164.9 | 0 | 0 | 0 | 112.5 | ||||
| 248 | S | 34.9 | Very low | 39.2 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | trans | -105 | 125.8 | 159.9 | -69.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 249 | G | 34.8 | Very low | 38.1 | Very low | 66 Ų | 66 | 140.4 Ų | 140.4 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 174.1 | 127.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 250 | P | 51.3 | Low | 37.6 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -92.6 | 132.1 | -171 | 34.1 | -33.1 | 0 | 0 | 0 | 113.2 | ||||
| 251 | F | 29.9 | Very low | 37 | Very low | 200 Ų | 200 | 141.3 Ų | 141.3 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -142.1 | 114.2 | 164.9 | -88 | -81.4 | 0 | 0 | 0 | 111.9 | ||||
| 252 | L | 43.8 | Very low | 37.1 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -82.3 | 134.2 | 151.6 | -70 | 168.2 | 0 | 0 | 0 | 107.2 | ||||
| 253 | P | 39.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | -152.4 | -171.6 | 109.7 | 38.8 | -21.2 | 0 | 0 | 0 | 112.8 | |||||
| 254 | P | 41.8 | Very low | 36.1 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 80% | 0.8 | S | S | * | * | -124 | 171.3 | -50.8 | 35.5 | -22.4 | 0 | 0 | 0 | 112 | |||||
| 255 | L | 43.8 | Very low | 35.5 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 130.7 | 164.3 | -178.1 | 74.4 | 0 | 0 | 0 | 110.4 | ||
| 256 | P | 36.1 | Very low | 35.7 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 129 | 163.4 | -8.2 | 26.4 | 0 | 0 | 0 | 110.5 | ||
| 257 | S | 30.8 | Very low | 36.7 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 153.7 | 178.5 | -61 | 0 | 0 | 0 | 0 | 113.7 | ||
| 258 | E | 36.8 | Very low | 36.7 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -31.5 | 138.1 | 155.9 | -178 | -163.5 | 136.1 | 0 | 0 | 114.8 | ||||
| 259 | Q | 32.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 138 Ų | 138 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -159.2 | 126.2 | 145 | -113.4 | 170.9 | 64.1 | 0 | 0 | 114.8 | ||||
| 260 | Q | 29.8 | Very low | 36.7 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 69.7 | 110.5 | 149.3 | -66.7 | 175.7 | 57.8 | 0 | 0 | 121.6 | ||||
| 261 | V | 36.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 144 Ų | 144 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 132.5 | 154 | 164.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 262 | P | 39 | Very low | 36.8 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | -142.6 | 162.7 | 105.4 | 36.6 | -21.5 | 0 | 0 | 0 | 113.5 | |||||
| 263 | G | 28.6 | Very low | 36.2 | Very low | 59 Ų | 59 | 135.9 Ų | 135.9 | 61% | 0.608 | 78% | 0.783 | S | S | * | * | cis | -170.5 | 169.7 | -0.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 264 | A | 33.2 | Very low | 36.9 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -80.2 | 145.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 265 | F | 28.6 | Very low | 36.3 | Very low | 207 Ų | 207 | 142.7 Ų | 142.7 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -119.6 | 136.1 | 158.9 | -85 | -86.8 | 0 | 0 | 0 | 110.2 | ||||
| 266 | K | 37.6 | Very low | 35.8 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 172 | 170.6 | -119.9 | -154.4 | 167.6 | -179.1 | 0 | 108.5 | ||||
| 267 | P | 52.8 | Low | 35.8 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | trans | -84.5 | 175.2 | -150.5 | 38.3 | -40.2 | 0 | 0 | 0 | 112.5 | ||||
| 268 | D | 29.9 | Very low | 36.3 | Very low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | -141.1 | 168.3 | 135.6 | -131 | -39.3 | 0 | 0 | 0 | 113.2 | ||||
| 269 | I | 35.4 | Very low | 36 | Very low | 138 Ų | 138 | 138.4 Ų | 138.4 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -104.2 | 147.4 | -164.7 | -70.9 | 161.4 | 0 | 0 | 0 | 111.1 | ||||
| 270 | L | 34.1 | Very low | 36 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | -169 | 136.3 | 135 | -103.5 | 161.4 | 0 | 0 | 0 | 112.6 | ||||
| 271 | L | 40.8 | Very low | 36.6 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -103.1 | 155.8 | 167.1 | -70.4 | 171.5 | 0 | 0 | 0 | 108.7 | ||||
| 272 | P | 42.8 | Very low | 36.3 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | -138.4 | 160.6 | 88.8 | 28.3 | -9.9 | 0 | 0 | 0 | 114.5 | |||||
| 273 | G | 30.6 | Very low | 36.1 | Very low | 67 Ų | 67 | 143.7 Ų | 143.7 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -111.6 | -148.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 274 | P | 54.9 | Low | 37.1 | Very low | 128 Ų | 128 | 147 Ų | 147 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | cis | -133.9 | 153.8 | -26.4 | 38 | -23.9 | 0 | 0 | 0 | 113 | ||||
| 275 | R | 29.2 | Very low | 36.9 | Very low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -160.2 | 132.2 | 164.1 | -124.7 | 174.5 | -171.4 | 178.1 | 2.3 | 116.9 | ||||
| 276 | S | 32.5 | Very low | 37.4 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 50.8 | 121.2 | 146.7 | 50.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 277 | L | 35.3 | Very low | 38 | Very low | 164 Ų | 164 | 139 Ų | 139 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | -69.9 | 176.6 | 149.1 | -69.3 | 123.5 | 0 | 0 | 0 | 111.6 | ||||
| 278 | P | 41.8 | Very low | 37.2 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -126 | 155.2 | -39.9 | 34.1 | -19.6 | 0 | 0 | 0 | 112.2 | A280 | P278-A280 PolarHBondContact O-N 3.41Š| ||
| 279 | G | 30.1 | Very low | 37.5 | Very low | 83 Ų | 83 | 141.4 Ų | 141.4 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -84.1 | 109.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 280 | A | 33 | Very low | 37.6 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101 | 142.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110 | P278 | P278-A280 PolarHBondContact O-N 3.41Š|
| 281 | W | 42.6 | Very low | 37.5 | Very low | 258 Ų | 258 | 135 Ų | 135 | 98% | 0.977 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 154.3 | 179.8 | -75.6 | 86.7 | 0 | 0 | 0 | 112.4 | ||
| 282 | H | 29.6 | Very low | 37.4 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 156 | -162.1 | -79.6 | -115 | 0 | 0 | 0 | 116.1 | ||
| 283 | F | 35.8 | Very low | 36.8 | Very low | 190 Ų | 190 | 134.2 Ų | 134.2 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | trans | -41.3 | 175.9 | 159.3 | -58.6 | -83.3 | 0 | 0 | 0 | 116.1 | ||||
| 284 | P | 49.3 | Very low | 37.2 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | cis | -135.4 | 179.7 | 12.6 | 38.9 | -19.1 | 0 | 0 | 0 | 116.3 | ||||
| 285 | G | 29.1 | Very low | 36.1 | Very low | 61 Ų | 61 | 138.2 Ų | 138.2 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | 154 | 166.2 | -12.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 286 | L | 39.2 | Very low | 36.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | trans | 70.3 | 159.1 | 160.8 | -67.3 | 179.2 | 0 | 0 | 0 | 118.9 | L288 | L286-L288 HydrophobicContact CD2-CD1 4.19Š| ||
| 287 | P | 48.7 | Very low | 36.1 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 81% | 0.812 | 82% | 0.82 | S | S | * | * | cis | -115 | 172.3 | 10.9 | 41.6 | -31.2 | 0 | 0 | 0 | 118 | ||||
| 288 | L | 36.7 | Very low | 36.2 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 151.5 | 176 | -113.5 | 75.8 | 0 | 0 | 0 | 113.6 | L286 | L286-L288 HydrophobicContact CD2-CD1 4.19Š| ||
| 289 | L | 36.1 | Very low | 35.9 | Very low | 170 Ų | 170 | 133.1 Ų | 133.1 | 89% | 0.89 | 81% | 0.813 | S | S | * | * | -161.7 | 149.4 | 106.4 | -118.9 | 163.8 | 0 | 0 | 0 | 111.3 | |||||
| 290 | A | 36.7 | Very low | 36.1 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | trans | -114.9 | 149.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 291 | G | 31.9 | Very low | 36.2 | Very low | 80 Ų | 80 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -154.4 | 107.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 292 | L | 38.8 | Very low | 35.6 | Very low | 188 Ų | 188 | 136.4 Ų | 136.4 | 98% | 0.984 | 80% | 0.801 | S | S | * | * | trans | -88.5 | 127.2 | 170.4 | -167.8 | 78.6 | 0 | 0 | 0 | 108.2 | ||||
| 293 | G | 31.2 | Very low | 35.7 | Very low | 76 Ų | 76 | 135.6 Ų | 135.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -149.5 | 142.5 | -176 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 294 | Q | 38.6 | Very low | 35.4 | Very low | 204 Ų | 204 | 132 Ų | 132 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | -102.8 | 154.3 | -178.9 | -67.3 | 168.6 | -30.5 | 0 | 0 | 111.5 | ||||
| 295 | G | 31.8 | Very low | 34.5 | Very low | 74 Ų | 74 | 134 Ų | 134 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 112.9 | 123.2 | 130.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 296 | A | 32.6 | Very low | 34.9 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | 56.3 | 116.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 297 | G | 30.2 | Very low | 35 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | 80.4 | 167.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 298 | D | 37.1 | Very low | 34.3 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | cis | -162.1 | 150.7 | -20.7 | -171.2 | 24.3 | 0 | 0 | 0 | 108.3 | ||||
| 299 | R | 35.1 | Very low | 34.1 | Very low | 201 Ų | 201 | 135.1 Ų | 135.1 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | 60.8 | 154.7 | 162.1 | -76.5 | 170.2 | 178 | -122.9 | -8.7 | 117.9 | ||||
| 300 | L | 33.4 | Very low | 33.8 | Very low | 128 Ų | 128 | 134.8 Ų | 134.8 | 67% | 0.67 | 79% | 0.792 | S | S | * | * | cis | -152.3 | 156.7 | -4.2 | -100.2 | 150.9 | 0 | 0 | 0 | 108.9 | ||||
| 301 | R | 35.1 | Very low | 33.6 | Very low | 218 Ų | 218 | 138.8 Ų | 138.8 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | 21.3 | 136.5 | 146.7 | -52 | 176.6 | 94 | 172.8 | 7.4 | 118.9 | ||||
| 302 | L | 30.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 141.8 Ų | 141.8 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | -157.7 | 148.9 | 76.6 | -130.1 | 91.1 | 0 | 0 | 0 | 115.6 | |||||
| 303 | L | 31.4 | Very low | 33.5 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | 35.9 | 113.3 | 159.1 | -61.9 | -179.5 | 0 | 0 | 0 | 121.4 | ||||
| 304 | S | 29.1 | Very low | 34.2 | Very low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -75.3 | 155 | 142.2 | -43.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 305 | L | 31.7 | Very low | 34.4 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -131.4 | 134.5 | 147.9 | -91 | 175 | 0 | 0 | 0 | 109.9 | ||||
| 306 | R | 36.9 | Very low | 35.4 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -101.2 | -178.7 | 169.2 | -152.8 | -164.1 | -177.4 | -175.4 | 3.4 | 108.3 | E308 | R306-E308 WeakPolarHBondContact CD-OE2 3.32Å; R306-E308 IonicContact CZ-OE1 3.96Å; R306-E308 IonicContact CZ-OE2 3.82Å; R306-E308 IonicContact NE-OE2 2.77Å; R306-E308 IonicContact NH1-OE1 2.76Å; R306-E308 PolarHBondContact NH1-OE1 2.85Å; R306-E308 IonicContact NH1-OE2 3.82Å; R306-E308 PolarHBondContact NH1-OE2 3.26Å | ||
| 307 | P | 42.1 | Very low | 35.5 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | -140.2 | 158.5 | 106.9 | 26.8 | -8.4 | 0 | 0 | 0 | 115.3 | |||||
| 308 | E | 32.3 | Very low | 35.9 | Very low | 141 Ų | 141 | 148.4 Ų | 148.4 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | trans | -54.7 | 161.6 | 153 | -91.7 | 77.9 | 170.5 | 0 | 0 | 111.4 | R306 | R306-E308 WeakPolarHBondContact CD-OE2 3.32Å; R306-E308 IonicContact CZ-OE1 3.96Å; R306-E308 IonicContact CZ-OE2 3.82Å; R306-E308 IonicContact NE-OE2 2.77Å; R306-E308 IonicContact NH1-OE1 2.76Å; R306-E308 PolarHBondContact NH1-OE1 2.85Å; R306-E308 IonicContact NH1-OE2 3.82Å; R306-E308 PolarHBondContact NH1-OE2 3.26Å | ||
| 309 | G | 32.2 | Very low | 35.7 | Very low | 68 Ų | 68 | 152.9 Ų | 152.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 140 | 126.2 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 310 | L | 31.4 | Very low | 35.9 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -153.1 | 91.1 | 169.9 | -154.8 | 71.7 | 0 | 0 | 0 | 106.6 | ||||
| 311 | E | 31.9 | Very low | 36.3 | Very low | 174 Ų | 174 | 151 Ų | 151 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | 75.6 | 112.4 | 96.8 | -158.4 | -160.4 | 151.2 | 0 | 0 | 113.9 | |||||
| 312 | V | 30.4 | Very low | 36.1 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -179.3 | 129.3 | 142.1 | 144 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 313 | K | 38.6 | Very low | 36.3 | Very low | 196 Ų | 196 | 143 Ų | 143 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -170 | 160.2 | 172.5 | -141.6 | -149.3 | 174.9 | -178.4 | 0 | 108.1 | ||||
| 314 | P | 46.5 | Very low | 36.6 | Very low | 107 Ų | 107 | 144 Ų | 144 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -118.4 | 176.5 | -17.8 | 25.6 | -4.4 | 0 | 0 | 0 | 113.3 | ||||
| 315 | A | 41.5 | Very low | 37.1 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | trans | -100.8 | 151.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 316 | P | 53.3 | Low | 37.8 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -135.7 | 136.3 | 158.2 | 35.2 | -19.7 | 0 | 0 | 0 | 116.1 | ||||
| 317 | M | 34.4 | Very low | 37.8 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | 59.4 | 112.5 | 139.6 | -61.3 | -177.5 | 68.1 | 0 | 0 | 122.1 | ||||
| 318 | M | 37.8 | Very low | 37.3 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | 14.3 | 125.7 | 116.4 | -78.9 | -73.6 | -168.6 | 0 | 0 | 118 | |||||
| 319 | R | 33.2 | Very low | 37.3 | Very low | 226 Ų | 226 | 140.6 Ų | 140.6 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -123.5 | 106.6 | 161.7 | -171.3 | -178.9 | -132.2 | -168.6 | 7.1 | 111.1 | ||||
| 320 | A | 40.6 | Very low | 37.2 | Very low | 101 Ų | 101 | 147.3 Ų | 147.3 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -88.5 | 119.6 | 170 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 321 | K | 41.4 | Very low | 37.6 | Very low | 190 Ų | 190 | 145.1 Ų | 145.1 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -158 | 135.8 | 162.6 | -85.2 | -165.2 | 172.8 | -168 | 0 | 106.4 | ||||
| 322 | G | 31.5 | Very low | 38.3 | Very low | 74 Ų | 74 | 142.4 Ų | 142.4 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | -171.1 | 148.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 108 | L324 | G322-L324 PolarHBondContact O-N 2.76Š| ||
| 323 | C | 35.1 | Very low | 38.6 | Very low | 125 Ų | 125 | 144 Ų | 144 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 117.5 | -177.5 | -176.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | L | 37.5 | Very low | 38.4 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -147.2 | 111.3 | 151.9 | -78.3 | -175 | 0 | 0 | 0 | 108.4 | G322 | G322-L324 PolarHBondContact O-N 2.76Š| ||
| 325 | D | 39.7 | Very low | 37.8 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 72% | 0.717 | 80% | 0.803 | S | S | * | * | trans | -91.1 | 143.3 | 161.4 | -151.7 | -71.3 | 0 | 0 | 0 | 107 | R327 | D325-R327 PolarHBondContact OD1-N 3.43Š| ||
| 326 | P | 46.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | -144.4 | 116.3 | 113.9 | 33.9 | -17.8 | 0 | 0 | 0 | 114.4 | |||||
| 327 | R | 35.2 | Very low | 36.4 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 70% | 0.702 | 82% | 0.817 | S | S | * | * | 28.7 | 128.1 | 114.6 | -154.5 | -175.8 | -168.9 | -99.8 | -8.3 | 117.8 | D325 | D325-R327 PolarHBondContact OD1-N 3.43Š| |||
| 328 | E | 32.7 | Very low | 36.5 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 71% | 0.71 | 82% | 0.819 | S | S | * | * | trans | 68.1 | 131.1 | 170.1 | -70.1 | 145.6 | 145.9 | 0 | 0 | 116.1 | ||||
| 329 | G | 32.1 | Very low | 36.3 | Very low | 62 Ų | 62 | 151.7 Ų | 151.7 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | cis | -177.2 | -156 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 330 | F | 30.3 | Very low | 36.1 | Very low | 208 Ų | 208 | 144.7 Ų | 144.7 | 91% | 0.912 | 81% | 0.813 | S | S | * | * | trans | 66.6 | 105.5 | 173.4 | -62 | -82.9 | 0 | 0 | 0 | 118.7 | ||||
| 331 | C | 39.3 | Very low | 36.1 | Very low | 119 Ų | 119 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -70.9 | 157.9 | 129.2 | -59.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 332 | P | 47.5 | Very low | 35.7 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -137.8 | 178.7 | 93.3 | 39.6 | -28.4 | 0 | 0 | 0 | 115.1 | |||||
| 333 | E | 36.2 | Very low | 35.8 | Very low | 177 Ų | 177 | 155.2 Ų | 155.2 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | trans | -47.1 | 154.6 | -177 | -55 | 160.4 | 96.1 | 0 | 0 | 117 | ||||
| 334 | T | 33.5 | Very low | 35.6 | Very low | 143 Ų | 143 | 156.9 Ų | 156.9 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | -163.1 | 133.8 | 110.3 | 11.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 335 | C | 33.8 | Very low | 35.2 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -78.3 | 140.3 | 166.4 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 336 | R | 30.7 | Very low | 35.3 | Very low | 250 Ų | 250 | 153.5 Ų | 153.5 | 94% | 0.943 | 82% | 0.815 | S | S | * | * | trans | -147 | 101.7 | 152.8 | -120.4 | 179 | -169.3 | -175.1 | 5.2 | 112.6 | ||||
| 337 | L | 36.2 | Very low | 35.1 | Very low | 167 Ų | 167 | 154.1 Ų | 154.1 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -61.8 | 142.3 | 153.5 | -83.1 | 154.7 | 0 | 0 | 0 | 109.2 | ||||
| 338 | K | 35.9 | Very low | 35 | Very low | 207 Ų | 207 | 152 Ų | 152 | 90% | 0.9 | 82% | 0.821 | S | S | * | * | trans | -154.4 | 128.8 | 139.2 | -118.3 | -177.2 | -178.4 | -168 | 0 | 112.1 | ||||
| 339 | T | 32.3 | Very low | 35.1 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | -65.1 | 146 | 172.1 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 340 | G | 30.1 | Very low | 35.6 | Very low | 80 Ų | 80 | 156.8 Ų | 156.8 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | trans | -149.2 | 112.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 341 | E | 39.9 | Very low | 35.8 | Very low | 168 Ų | 168 | 153.9 Ų | 153.9 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -121.7 | 127.4 | -177.6 | 177.6 | -173 | 154.3 | 0 | 0 | 108.3 | ||||
| 342 | E | 32.9 | Very low | 35.8 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 92% | 0.916 | 83% | 0.831 | S | S | * | * | trans | -153.8 | 152.1 | 157.6 | -124.5 | 177.5 | 146.4 | 0 | 0 | 111.9 | ||||
| 343 | R | 34.8 | Very low | 35.3 | Very low | 222 Ų | 222 | 159.9 Ų | 159.9 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -101.9 | 155.1 | 179 | -76 | 169.7 | 155.8 | -180 | -6 | 110.4 | ||||
| 344 | L | 29.8 | Very low | 35.3 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -173.4 | 107.3 | 136.5 | -92.4 | 145.1 | 0 | 0 | 0 | 106.2 | ||||
| 345 | T | 30.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | 87 | 117.9 | 94.3 | -66 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 346 | S | 41.7 | Very low | 35.7 | Very low | 111 Ų | 111 | 162.3 Ų | 162.3 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -76.1 | 159.4 | 178.6 | -38.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 347 | P | 41.5 | Very low | 36.8 | Very low | 129 Ų | 129 | 155.9 Ų | 155.9 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -112.6 | 143.8 | 141 | 34.7 | -28.3 | 0 | 0 | 0 | 111.3 | ||||
| 348 | N | 34.3 | Very low | 37.5 | Very low | 141 Ų | 141 | 155.6 Ų | 155.6 | 75% | 0.754 | 82% | 0.82 | S | S | * | * | trans | -114.4 | 122.4 | 162 | 174.1 | 3.6 | 0 | 0 | 0 | 106.7 | ||||
| 349 | L | 33.7 | Very low | 37.6 | Very low | 158 Ų | 158 | 153.1 Ų | 153.1 | 83% | 0.827 | 82% | 0.816 | S | S | * | * | trans | -145.5 | 110.2 | 156.2 | -164.7 | 62 | 0 | 0 | 0 | 111.2 | ||||
| 350 | E | 43.4 | Very low | 39.2 | Very low | 157 Ų | 157 | 152.3 Ų | 152.3 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -15.1 | 159.6 | 151.4 | -49.9 | -178.1 | 140.9 | 0 | 0 | 119 | ||||
| 351 | N | 34.3 | Very low | 40.7 | Very low | 146 Ų | 146 | 158.7 Ų | 158.7 | 78% | 0.781 | 84% | 0.837 | S | S | * | * | trans | 77.9 | 95.6 | 161.3 | -165 | 9.8 | 0 | 0 | 0 | 118.5 | ||||
| 352 | L | 38.4 | Very low | 40.8 | Very low | 176 Ų | 176 | 158.2 Ų | 158.2 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -143.9 | 118.7 | 140.6 | -116.2 | 172.7 | 0 | 0 | 0 | 110.4 | ||||
| 353 | K | 37.1 | Very low | 41.2 | Very low | 187 Ų | 187 | 156.2 Ų | 156.2 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | trans | -118.4 | 105.1 | -170 | 174.6 | -172.2 | 172.7 | -176.3 | 0 | 111.1 | ||||
| 354 | A | 36.9 | Very low | 41.5 | Very low | 87 Ų | 87 | 152.6 Ų | 152.6 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | trans | -147.2 | 107.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 355 | L | 34.3 | Very low | 42.2 | Very low | 168 Ų | 168 | 152.1 Ų | 152.1 | 88% | 0.88 | 84% | 0.835 | S | S | * | * | 76.3 | 106.3 | 81.8 | -73.9 | 168.9 | 0 | 0 | 0 | 112.8 | |||||
| 356 | W | 42.2 | Very low | 43 | Very low | 244 Ų | 244 | 153.9 Ų | 153.9 | 92% | 0.924 | 84% | 0.84 | S | S | * | * | trans | -124.7 | 127.4 | 168.5 | -166.1 | -81.4 | 0 | 0 | 0 | 108.2 | ||||
| 357 | P | 53.2 | Low | 43.1 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 74% | 0.74 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 163.6 | -178.4 | -21.3 | 34.7 | 0 | 0 | 0 | 114.8 | ||
| 358 | L | 49.8 | Very low | 43.2 | Very low | 162 Ų | 162 | 158.8 Ų | 158.8 | 85% | 0.848 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 166.7 | -177.3 | -69 | 165.5 | 0 | 0 | 0 | 113.3 | ||
| 359 | D | 38.4 | Very low | 43.9 | Very low | 154 Ų | 154 | 160.2 Ų | 160.2 | 82% | 0.824 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 157.2 | 174.4 | -49.2 | -85.4 | 0 | 0 | 0 | 113.8 | ||
| 360 | P | 65.8 | Low | 44.7 | Very low | 115 Ų | 115 | 160.3 Ų | 160.3 | 75% | 0.747 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -99 | 125.1 | 161.7 | 34.7 | -26.8 | 0 | 0 | 0 | 112.6 | ||
| 361 | T | 62.9 | Low | 44.9 | Very low | 214 Ų | 214 | 160.6 Ų | 160.6 | 100% | 1.313 | 87% | 0.865 | S | S | * | * | trans | 19.8 | 0 | 150.3 | 59.6 | 0 | 0 | 0 | 0 | 119.4 |
Retrieved 361 of 361 residues in 135.1 ms
(Link to these results)