| 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 | V | 37.2 | Very low | 35.9 | Very low | 186 Ų | 186 | 149.7 Ų | 149.7 | 100% | 1.127 | 83% | 0.829 | S | S | * | * | 0 | 107.8 | 0 | 176 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 2 | F | 28.4 | Very low | 35.6 | Very low | 203 Ų | 203 | 143.9 Ų | 143.9 | 89% | 0.89 | 83% | 0.829 | S | S | * | * | trans | 20.1 | 126.2 | 161.5 | -60.4 | -89.7 | 0 | 0 | 0 | 118.4 | ||||
| 3 | G | 29.1 | Very low | 36.1 | Very low | 64 Ų | 64 | 141.5 Ų | 141.5 | 66% | 0.66 | 83% | 0.825 | S | S | * | * | cis | 112.8 | 135 | 17.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | V | 32.4 | Very low | 36 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 87% | 0.873 | 83% | 0.833 | S | S | * | * | trans | 80.5 | 143.1 | 145.8 | -175.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 5 | Q | 31 | Very low | 36.3 | Very low | 162 Ų | 162 | 148 Ų | 148 | 76% | 0.757 | 83% | 0.83 | S | S | * | * | cis | 176 | 156.8 | -12 | 177.3 | 69.3 | 26.7 | 0 | 0 | 105.6 | ||||
| 6 | R | 40.6 | Very low | 36.4 | Very low | 199 Ų | 199 | 144.3 Ų | 144.3 | 75% | 0.751 | 81% | 0.811 | S | S | * | * | trans | -56.4 | 172.7 | 170.6 | -53 | 173.9 | 171.5 | -157.7 | -3.4 | 113.5 | ||||
| 7 | P | 45.4 | Very low | 36.8 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | -147.2 | -173.7 | 82 | 23.2 | 1.3 | 0 | 0 | 0 | 112.8 | |||||
| 8 | L | 36.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 64% | 0.639 | 81% | 0.811 | S | S | * | * | cis | 167.6 | 131.5 | -30.8 | -153.9 | 90.8 | 0 | 0 | 0 | 105.5 | ||||
| 9 | R | 39.7 | Very low | 37.6 | Very low | 232 Ų | 232 | 145.6 Ų | 145.6 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | 62.7 | 123.9 | 153.1 | -76.4 | 174.4 | 175.1 | -175.4 | -5.2 | 121.5 | ||||
| 10 | A | 34.2 | Very low | 37.7 | Very low | 109 Ų | 109 | 144.9 Ų | 144.9 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | -145.2 | 109.4 | 126.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 11 | A | 40.2 | Very low | 38.2 | Very low | 102 Ų | 102 | 146.4 Ų | 146.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -109 | 116.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 12 | G | 33.2 | Very low | 38.7 | Very low | 80 Ų | 80 | 145.2 Ų | 145.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -124.6 | 113.1 | 174 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | S | 41.7 | Very low | 39.9 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -76.7 | 133.2 | 174.5 | -20.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 14 | F | 34.4 | Very low | 40.9 | Very low | 213 Ų | 213 | 146.4 Ų | 146.4 | 93% | 0.934 | 80% | 0.798 | S | S | * | * | trans | -144.5 | 116.9 | 151.6 | -114.9 | -88 | 0 | 0 | 0 | 110.3 | ||||
| 15 | E | 40.3 | Very low | 41.8 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -37.9 | 167.6 | 162 | -77.4 | -142.8 | 135.9 | 0 | 0 | 115.9 | ||||
| 16 | V | 38.9 | Very low | 43.1 | Very low | 88 Ų | 88 | 143.6 Ų | 143.6 | 53% | 0.533 | 80% | 0.795 | S | S | . | * | cis | -178.5 | 144 | -7 | 140.6 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 17 | K | 42.9 | Very low | 43.4 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 57.2 | 128.7 | 159.7 | -73.6 | 163.5 | -173.3 | 171.9 | 0 | 119 | ||||
| 18 | I | 48.3 | Very low | 43.8 | Very low | 160 Ų | 160 | 137 Ų | 137 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | -177.1 | 125 | 109.6 | -90.8 | 154.9 | 0 | 0 | 0 | 110.8 | |||||
| 19 | C | 39.8 | Very low | 44.3 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | trans | 59.4 | 106.8 | 152.6 | -67 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 20 | C | 39.8 | Very low | 44.7 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | -159.7 | 92.1 | 116.4 | -110 | 0 | 0 | 0 | 0 | 111 | |||||
| 21 | E | 48.2 | Very low | 45.1 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -73.3 | 110.7 | 152.6 | -79 | -71.7 | 160.9 | 0 | 0 | 107.8 | ||||
| 22 | L | 48 | Very low | 45.4 | Very low | 160 Ų | 160 | 127 Ų | 127 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | trans | -174.9 | 90 | 151.7 | -104.6 | 142.5 | 0 | 0 | 0 | 110.6 | ||||
| 23 | I | 54.2 | Low | 45.9 | Very low | 149 Ų | 149 | 128.9 Ų | 128.9 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | 21.6 | 105.6 | 142.4 | -49.7 | 178.8 | 0 | 0 | 0 | 116.2 | ||||
| 24 | I | 49 | Very low | 46.1 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | -138.9 | 112.7 | 129.1 | -56.3 | -175 | 0 | 0 | 0 | 108.1 | I26 | I24-I26 HydrophobicContact CB-CG1 4.33Å; I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.68Å; I24-I26 PolarHBondContact O-N 3.35Å | |||
| 25 | A | 52.4 | Low | 46.6 | Very low | 100 Ų | 100 | 126.8 Ų | 126.8 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -59.1 | 99.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 26 | I | 57.3 | Low | 47.2 | Very low | 147 Ų | 147 | 126.4 Ų | 126.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -116.5 | 82 | 159.4 | -33.7 | 175.4 | 0 | 0 | 0 | 102.9 | I24 | I24-I26 HydrophobicContact CB-CG1 4.33Å; I24-I26 HydrophobicContact CG2-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CG1 3.68Å; I24-I26 PolarHBondContact O-N 3.35Å | ||
| 27 | G | 48.2 | Very low | 48.3 | Very low | 59 Ų | 59 | 128.8 Ų | 128.8 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | 66.6 | 78.5 | 86.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | C29 | G27-C29 VanDerWaalsContact C-N 3.26Å; G27-C29 PolarHBondContact O-N 3.21Å | |||
| 28 | S | 53 | Low | 49.9 | Very low | 127 Ų | 127 | 124 Ų | 124 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -57.7 | 89.3 | 172.4 | -56.7 | 0 | 0 | 0 | 0 | 109.5 | G30 | S28-G30 PolarHBondContact O-N 3Š| ||
| 29 | C | 47.4 | Very low | 51.7 | Low | 129 Ų | 129 | 117.7 Ų | 117.7 | 87% | 0.872 | 71% | 0.713 | S | S | * | * | trans | -79.1 | 64.1 | 159.2 | -87.4 | 0 | 0 | 0 | 0 | 108.7 | G27 G31 | G27-C29 VanDerWaalsContact C-N 3.26Å; G27-C29 PolarHBondContact O-N 3.21Å; C29-G31 PolarHBondContact O-N 2.82Å | ||
| 30 | G | 48.2 | Very low | 54.3 | Low | 70 Ų | 70 | 114.4 Ų | 114.4 | 72% | 0.722 | 69% | 0.689 | S | S | * | * | trans | -71 | 69.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | S28 S32 | S28-G30 PolarHBondContact O-N 3Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.81Å | ||
| 31 | G | 41.2 | Very low | 56.8 | Low | 66 Ų | 66 | 108.7 Ų | 108.7 | 68% | 0.68 | 65% | 0.65 | S | S | * | * | trans | -64.6 | 97.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | C29 P33 | C29-G31 PolarHBondContact O-N 2.82Å; G31-P33 VanDerWaalsContact O-CD 3.27Å; G31-P33 WeakPolarHBondContact O-CD 3.43Å | ||
| 32 | S | 46.2 | Very low | 58.9 | Low | 88 Ų | 88 | 108 Ų | 108 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | trans | -57.3 | 119.5 | 163.4 | -75.4 | 0 | 0 | 0 | 0 | 108.1 | G30 N34 | G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.81Å; S32-N34 PolarHBondContact O-N 3.02Å | ||
| 33 | P | 44.8 | Very low | 61.1 | Low | 121 Ų | 121 | 105 Ų | 105 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | -79 | 65 | 166.4 | 33.4 | -30 | 0 | 0 | 0 | 108 | G31 H35 | G31-P33 VanDerWaalsContact O-CD 3.27Å; G31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-H35 PolarHBondContact O-N 3.4Å | ||
| 34 | N | 46.6 | Very low | 63 | Low | 146 Ų | 146 | 97.9 Ų | 97.9 | 78% | 0.781 | 58% | 0.584 | S | S | * | * | trans | -89.9 | 65.7 | 161 | -92.8 | -60.8 | 0 | 0 | 0 | 108 | S32 | S32-N34 PolarHBondContact O-N 3.02Š| ||
| 35 | H | 44 | Very low | 65.1 | Low | 134 Ų | 134 | 93 Ų | 93 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | trans | -114.1 | 93 | 168.4 | -77.6 | -55.1 | 0 | 0 | 0 | 107.1 | P33 H37 | P33-H35 PolarHBondContact O-N 3.4Å; H35-H37 HydrophobicContact CB-CB 4.11Å; H35-H37 WeakPolarHBondContact CB-CD2 3.39Å; H35-H37 AromaticContact CE1-CD2 3.92Å; H35-H37 AromaticContact CE1-NE2 3.38Å; H35-H37 PolarHBondContact CE1-NE2 3.41Å; H35-H37 AromaticContact CG-CD2 3.19Å; H35-H37 AromaticContact CG-NE2 3.48Å; H35-H37 AromaticContact ND1-CD2 3.14Å; H35-H37 PolarHBondContact ND1-CD2 3.04Å; H35-H37 AromaticContact ND1-CE1 3.74Å; H35-H37 AromaticContact ND1-NE2 2.86Å; H35-H37 PolarHBondContact ND1-NE2 3.27Å; H35-H37 PolarHBondContact O-N 3.05Å | ||
| 36 | N | 52.4 | Low | 67.1 | Low | 161 Ų | 161 | 93 Ų | 93 | 86% | 0.861 | 54% | 0.544 | S | S | * | . | trans | -65.2 | 48 | 155.3 | -160 | 74.7 | 0 | 0 | 0 | 109.4 | R38 | N36-R38 PolarHBondContact O-N 3.05Š| ||
| 37 | H | 62.3 | Low | 68.9 | Low | 137 Ų | 137 | 91.2 Ų | 91.2 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | trans | -82.2 | 102.2 | -179.7 | -83.6 | -40.1 | 0 | 0 | 0 | 107.6 | H35 | H35-H37 HydrophobicContact CB-CB 4.11Å; H35-H37 WeakPolarHBondContact CB-CD2 3.39Å; H35-H37 AromaticContact CE1-CD2 3.92Å; H35-H37 AromaticContact CE1-NE2 3.38Å; H35-H37 PolarHBondContact CE1-NE2 3.41Å; H35-H37 AromaticContact CG-CD2 3.19Å; H35-H37 AromaticContact CG-NE2 3.48Å; H35-H37 AromaticContact ND1-CD2 3.14Å; H35-H37 PolarHBondContact ND1-CD2 3.04Å; H35-H37 AromaticContact ND1-CE1 3.74Å; H35-H37 AromaticContact ND1-NE2 2.86Å; H35-H37 PolarHBondContact ND1-NE2 3.27Å; H35-H37 PolarHBondContact O-N 3.05Å | ||
| 38 | R | 76.5 | Confident | 71.2 | Confident | 84 Ų | 84 | 88.4 Ų | 88.4 | 32% | 0.317 | 50% | 0.499 | S | S | . | . | trans | -29.3 | 114 | 159.3 | -151.7 | 179.7 | 155.4 | 148.5 | -1.2 | 110.2 | N36 E97 D98 C99 | N36-R38 PolarHBondContact O-N 3.05Å; R38-E97 PolarHBondContact NH2-O 2.8Å; R38-D98 WeakPolarHBondContact CD-OD1 3.5Å; R38-D98 HydrophobicContact CG-CB 4.37Å; R38-D98 WeakPolarHBondContact CG-O 3.34Å; R38-D98 IonicContact CZ-OD1 3.92Å; R38-D98 VanDerWaalsContact NE-CA 3.34Å; R38-D98 PolarHBondContact NE-O 2.96Å; R38-D98 IonicContact NE-OD1 2.71Å; R38-D98 PolarHBondContact NE-OD1 2.85Å; R38-D98 VanDerWaalsContact NE-OD1 3.17Å; R38-D98 IonicContact NH1-OD1 3.46Å; R38-D98 PolarHBondContact NH1-OD1 3.46Å; R38-D98 VanDerWaalsContact NH2-C 3.31Å; R38-D98 IonicContact NH2-OD1 3.04Å; R38-C99 VanDerWaalsContact CZ-N 3.26Å; R38-C99 PolarHBondContact NE-O 3.42Å; R38-C99 PolarHBondContact NH2-O 2.04Å | ||
| 39 | P | 87 | Confident | 73.2 | Confident | 28 Ų | 28 | 86.4 Ų | 86.4 | 18% | 0.182 | 48% | 0.476 | C | S | . | . | trans | -66.4 | 151.2 | -178 | 28.1 | -34.6 | 0 | 0 | 0 | 110.1 | C41 A44 D95 C99 D100 | P39-C41 PolarHBondContact O-N 3.11Å; P39-A44 HydrophobicContact CG-CB 4.33Å; P39-D95 HydrophobicContact CG-CB 4.48Å; P39-C99 CarbonylContact O-C 3.52Å; P39-C99 WeakPolarHBondContact O-CA 3.41Å; P39-C99 WeakPolarHBondContact O-CB 3.34Å; P39-D100 PolarHBondContact O-N 3.33Å | ||
| 40 | V | 92.7 | Very high | 75.5 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 28% | 0.279 | 47% | 0.471 | S | S | . | . | B | Isolated β-bridge | trans | -62.3 | 138.1 | 173.3 | -165.8 | 0 | 0 | 0 | 0 | 109.7 | W42 K43 A44 D100 A102 | V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 HydrophobicContact CG1-CG 4.34Å; V40-W42 VanDerWaalsContact CG1-NE1 3.27Å; V40-W42 PolarHBondContact O-N 3.45Å; V40-K43 WeakPolarHBondContact O-CA 3.15Å; V40-K43 VanDerWaalsContact O-CB 3.24Å; V40-K43 WeakPolarHBondContact O-CB 3.36Å; V40-K43 PolarHBondContact O-N 3.41Å; V40-A44 PolarHBondContact O-N 3.31Å; V40-A44 VanDerWaalsContact O-N 3.1Å; V40-D100 CarbonylContact C-O 3.58Å; V40-D100 VanDerWaalsContact CA-O 3.26Å; V40-D100 WeakPolarHBondContact CA-O 3.06Å; V40-D100 VanDerWaalsContact CG1-O 3.24Å; V40-D100 WeakPolarHBondContact CG1-O 3.36Å; V40-A102 HydrophobicContact CG1-CB 4.33Å |
| 41 | C | 92.9 | Very high | 77.7 | Confident | 10 Ų | 10 | 82.4 Ų | 82.4 | 7% | 0.068 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -55.3 | -41.1 | -171.5 | -72.4 | 0 | 0 | 0 | 0 | 114.6 | P39 K43 A44 I45 C99 D100 C107 | P39-C41 PolarHBondContact O-N 3.11Å; C41-K43 PolarHBondContact O-N 3.44Å; C41-A44 PolarHBondContact O-N 3.04Å; C41-A44 VanDerWaalsContact O-N 3.17Å; C41-I45 VanDerWaalsContact O-CG1 3.29Å; C41-I45 WeakPolarHBondContact O-CG1 3.47Å; C41-I45 PolarHBondContact O-N 2.82Å; C41-C99 VanDerWaalsContact CA-CB 3.42Å; C41-C99 WeakPolarHBondContact CA-SG 3.09Å; C41-C99 HydrophobicContact CB-CB 3.79Å; C41-C99 WeakPolarHBondContact CB-SG 3.14Å; C41-C99 WeakPolarHBondContact SG-CB 3.07Å; C41-C99 PolarHBondContact SG-O 2.01Å; C41-C99 CovalentContact SG-SG 2.03Å; C41-C99 PolarHBondContact SG-SG 3.19Å; C41-D100 PolarHBondContact N-O 3.04Å; C41-C107 PolarHBondContact SG-SG 2.03Å |
| 42 | W | 92.2 | Very high | 80.3 | Confident | 164 Ų | 164 | 82.4 Ų | 82.4 | 62% | 0.621 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -61.8 | -32.9 | 175.9 | 68.8 | -97.2 | 0 | 0 | 0 | 112.3 | V40 I45 L46 | V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 HydrophobicContact CG1-CG 4.34Å; V40-W42 VanDerWaalsContact CG1-NE1 3.27Å; V40-W42 PolarHBondContact O-N 3.45Å; W42-I45 PolarHBondContact O-N 3.49Å; W42-L46 HydrophobicContact CE3-CD1 3.53Å; W42-L46 HydrophobicContact CE3-CG 4.44Å; W42-L46 HydrophobicContact CZ3-CD1 3.51Å; W42-L46 WeakPolarHBondContact O-CG 3.28Å; W42-L46 PolarHBondContact O-N 3.48Å |
| 43 | K | 94.2 | Very high | 82.6 | Confident | 96 Ų | 96 | 85 Ų | 85 | 42% | 0.417 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 176.4 | -173.4 | 178.7 | -178.4 | 176.3 | 0 | 111.4 | V40 C41 L46 R47 | V40-K43 WeakPolarHBondContact O-CA 3.15Å; V40-K43 VanDerWaalsContact O-CB 3.24Å; V40-K43 WeakPolarHBondContact O-CB 3.36Å; V40-K43 PolarHBondContact O-N 3.41Å; C41-K43 PolarHBondContact O-N 3.44Å; K43-L46 PolarHBondContact O-N 3.3Å; K43-R47 WeakPolarHBondContact O-CG 3.4Å; K43-R47 PolarHBondContact O-N 2.94Å |
| 44 | A | 93.9 | Very high | 85 | Confident | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | P39 V40 C41 L46 R47 C48 D95 L96 C99 | P39-A44 HydrophobicContact CG-CB 4.33Å; V40-A44 PolarHBondContact O-N 3.31Å; V40-A44 VanDerWaalsContact O-N 3.1Å; C41-A44 PolarHBondContact O-N 3.04Å; C41-A44 VanDerWaalsContact O-N 3.17Å; A44-L46 PolarHBondContact O-N 2.9Å; A44-R47 PolarHBondContact O-N 3.49Å; A44-C48 PolarHBondContact O-N 2.91Å; A44-D95 HydrophobicContact CB-CB 4.02Å; A44-L96 HydrophobicContact CB-CD2 3.79Å; A44-C99 HydrophobicContact CB-CB 4.07Å |
| 45 | I | 94.2 | Very high | 87.4 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 21% | 0.21 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 175.2 | -66.9 | 165.3 | 0 | 0 | 0 | 111 | C41 W42 R47 C48 Q49 Y58 L96 | C41-I45 VanDerWaalsContact O-CG1 3.29Å; C41-I45 WeakPolarHBondContact O-CG1 3.47Å; C41-I45 PolarHBondContact O-N 2.82Å; W42-I45 PolarHBondContact O-N 3.49Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 3.24Å; I45-C48 PolarHBondContact O-N 3.36Å; I45-Q49 HydrophobicContact CG2-CG 4.24Å; I45-Q49 WeakPolarHBondContact O-CB 3.19Å; I45-Q49 WeakPolarHBondContact O-CG 3.46Å; I45-Q49 PolarHBondContact O-N 2.98Å; I45-Y58 HydrophobicContact CG1-CE2 4.39Å; I45-Y58 HydrophobicContact CG2-CE1 4.34Å; I45-L96 HydrophobicContact CB-CD2 4.34Å; I45-L96 HydrophobicContact CG1-CD2 3.52Å |
| 46 | L | 94.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 80 Ų | 80 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 178 | -75.7 | 173.9 | 0 | 0 | 0 | 112.9 | W42 K43 A44 Q49 G50 | W42-L46 HydrophobicContact CE3-CD1 3.53Å; W42-L46 HydrophobicContact CE3-CG 4.44Å; W42-L46 HydrophobicContact CZ3-CD1 3.51Å; W42-L46 WeakPolarHBondContact O-CG 3.28Å; W42-L46 PolarHBondContact O-N 3.48Å; K43-L46 PolarHBondContact O-N 3.3Å; A44-L46 PolarHBondContact O-N 2.9Å; L46-Q49 PolarHBondContact O-N 2.84Å; L46-G50 PolarHBondContact O-N 3.41Å |
| 47 | R | 94.8 | Very high | 92 | Very high | 110 Ų | 110 | 72.6 Ų | 72.6 | 42% | 0.415 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 175.5 | -71.5 | 173.2 | 175.4 | -179 | -3.6 | 111.4 | K43 A44 I45 Q49 G50 H92 | K43-R47 WeakPolarHBondContact O-CG 3.4Å; K43-R47 PolarHBondContact O-N 2.94Å; A44-R47 PolarHBondContact O-N 3.49Å; I45-R47 VanDerWaalsContact C-N 3.3Å; I45-R47 PolarHBondContact O-N 3.24Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.96Å; R47-G50 PolarHBondContact O-N 3.11Å; R47-H92 HydrophobicContact CB-CB 4.36Å |
| 48 | C | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 176 | -179.5 | 0 | 0 | 0 | 0 | 112.1 | A44 I45 G50 E51 C54 R55 H92 L96 | A44-C48 PolarHBondContact O-N 2.91Å; I45-C48 PolarHBondContact O-N 3.36Å; C48-G50 PolarHBondContact O-N 3.1Å; C48-E51 PolarHBondContact O-N 3.44Å; C48-C54 WeakPolarHBondContact CA-SG 3.08Å; C48-C54 HydrophobicContact CB-CB 4.08Å; C48-C54 WeakPolarHBondContact CB-SG 3.48Å; C48-C54 WeakPolarHBondContact O-CB 3.03Å; C48-C54 WeakPolarHBondContact SG-CB 3.05Å; C48-C54 PolarHBondContact SG-O 3.42Å; C48-C54 VanDerWaalsContact SG-O 3.33Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; C48-R55 PolarHBondContact O-N 2.89Å; C48-H92 HydrophobicContact CB-CB 4.29Å; C48-L96 HydrophobicContact CB-CD1 4.38Å |
| 49 | Q | 94.9 | Very high | 94.5 | Very high | 84 Ų | 84 | 67.3 Ų | 67.3 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.9 | -24.2 | 177.8 | -73.3 | -179 | -0.1 | 0 | 0 | 113.7 | I45 L46 R47 E51 | I45-Q49 HydrophobicContact CG2-CG 4.24Å; I45-Q49 WeakPolarHBondContact O-CB 3.19Å; I45-Q49 WeakPolarHBondContact O-CG 3.46Å; I45-Q49 PolarHBondContact O-N 2.98Å; L46-Q49 PolarHBondContact O-N 2.84Å; R47-Q49 VanDerWaalsContact C-N 3.33Å; R47-Q49 PolarHBondContact O-N 2.96Å; Q49-E51 PolarHBondContact O-N 3.41Å |
| 50 | G | 95.6 | Very high | 95 | Very high | 74 Ų | 74 | 69.1 Ų | 69.1 | 76% | 0.763 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -15.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L46 R47 C48 | L46-G50 PolarHBondContact O-N 3.41Å; R47-G50 PolarHBondContact O-N 3.11Å; C48-G50 PolarHBondContact O-N 3.1Å |
| 51 | E | 95.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 67.9 Ų | 67.9 | 19% | 0.192 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -106 | 123.2 | 178.5 | 177.8 | -177.7 | -177.6 | 0 | 0 | 109.6 | C48 Q49 E53 C54 R55 R91 H92 | C48-E51 PolarHBondContact O-N 3.44Å; Q49-E51 PolarHBondContact O-N 3.41Å; E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.47Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 HydrophobicContact CG-CB 3.91Å; E51-C54 PolarHBondContact O-N 3.21Å; E51-C54 WeakPolarHBondContact OE2-CB 3.38Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.46Å; E51-R55 PolarHBondContact O-N 3.28Å; E51-R91 WeakPolarHBondContact OE1-CB 3.29Å; E51-R91 PolarHBondContact OE1-N 3.13Å; E51-R91 WeakPolarHBondContact OE2-CB 3.31Å; E51-H92 IonicContact OE2-CD2 3.17Å; E51-H92 PolarHBondContact OE2-CD2 3.09Å; E51-H92 IonicContact OE2-CG 3.37Å; E51-H92 PolarHBondContact OE2-N 3.4Å |
| 52 | A | 95.9 | Very high | 95.2 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 55% | 0.554 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.6 | -41.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y56 | A52-Y56 PolarHBondContact O-N 3.4Å; A52-Y56 VanDerWaalsContact O-N 3.09Å |
| 53 | E | 93.4 | Very high | 95.5 | Very high | 143 Ų | 143 | 68.8 Ų | 68.8 | 67% | 0.668 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.2 | -46.4 | 179.4 | -61.7 | -169.6 | 170.9 | 0 | 0 | 111.8 | E51 R55 Y56 A57 | E51-E53 VanDerWaalsContact C-N 3.33Å; E51-E53 PolarHBondContact O-N 3.47Å; E53-R55 PolarHBondContact O-N 3.24Å; E53-Y56 PolarHBondContact O-N 3.25Å; E53-A57 WeakPolarHBondContact O-CB 3.49Å; E53-A57 PolarHBondContact O-N 3.08Å |
| 54 | C | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 176.1 | -166.5 | 0 | 0 | 0 | 0 | 111.6 | C48 E51 Y56 A57 Y58 T90 G93 | C48-C54 WeakPolarHBondContact CA-SG 3.08Å; C48-C54 HydrophobicContact CB-CB 4.08Å; C48-C54 WeakPolarHBondContact CB-SG 3.48Å; C48-C54 WeakPolarHBondContact O-CB 3.03Å; C48-C54 WeakPolarHBondContact SG-CB 3.05Å; C48-C54 PolarHBondContact SG-O 3.42Å; C48-C54 VanDerWaalsContact SG-O 3.33Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.04Å; E51-C54 HydrophobicContact CB-CB 3.89Å; E51-C54 HydrophobicContact CG-CB 3.91Å; E51-C54 PolarHBondContact O-N 3.21Å; E51-C54 WeakPolarHBondContact OE2-CB 3.38Å; C54-Y56 VanDerWaalsContact C-N 3.33Å; C54-Y56 PolarHBondContact O-N 3.1Å; C54-A57 PolarHBondContact O-N 3.27Å; C54-Y58 WeakPolarHBondContact O-CB 3.48Å; C54-Y58 PolarHBondContact O-N 3.09Å; C54-T90 HydrophobicContact CB-CG2 4.31Å; C54-T90 PolarHBondContact SG-OG1 2.99Å; C54-G93 PolarHBondContact SG-N 3.17Å |
| 55 | R | 97 | Very high | 95.6 | Very high | 144 Ų | 144 | 64.9 Ų | 64.9 | 54% | 0.543 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.8 | -44.9 | 175.4 | -175.2 | 172.9 | 61.9 | -169.2 | -0.3 | 112.2 | C48 E51 E53 Y58 D59 | C48-R55 PolarHBondContact O-N 2.89Å; E51-R55 VanDerWaalsContact O-CB 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.46Å; E51-R55 PolarHBondContact O-N 3.28Å; E53-R55 PolarHBondContact O-N 3.24Å; R55-Y58 PolarHBondContact O-N 2.85Å; R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.09Å |
| 56 | Y | 96.9 | Very high | 95.7 | Very high | 151 Ų | 151 | 65.2 Ų | 65.2 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.4 | -48.9 | 176.7 | 177 | -98 | 0 | 0 | 0 | 111.3 | A52 E53 C54 Y58 D59 Q60 | A52-Y56 PolarHBondContact O-N 3.4Å; A52-Y56 VanDerWaalsContact O-N 3.09Å; E53-Y56 PolarHBondContact O-N 3.25Å; C54-Y56 VanDerWaalsContact C-N 3.33Å; C54-Y56 PolarHBondContact O-N 3.1Å; Y56-Y58 VanDerWaalsContact C-N 3.29Å; Y56-Y58 PolarHBondContact O-N 3.31Å; Y56-D59 PolarHBondContact O-N 3.39Å; Y56-Q60 HydrophobicContact CD1-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 3.87Å; Y56-Q60 HydrophobicContact CE2-CG 4.35Å; Y56-Q60 WeakPolarHBondContact O-CG 3.4Å; Y56-Q60 PolarHBondContact O-N 3.16Å |
| 57 | A | 95.9 | Very high | 95.7 | Very high | 6 Ų | 6 | 62 Ų | 62 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.8 | -37.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E53 C54 Q60 Y61 L87 T90 | E53-A57 WeakPolarHBondContact O-CB 3.49Å; E53-A57 PolarHBondContact O-N 3.08Å; C54-A57 PolarHBondContact O-N 3.27Å; A57-Q60 PolarHBondContact O-N 3.1Å; A57-Y61 WeakPolarHBondContact O-CB 3.46Å; A57-Y61 PolarHBondContact O-N 3.45Å; A57-L87 HydrophobicContact CB-CB 4.27Å; A57-L87 HydrophobicContact CB-CD1 4.03Å; A57-T90 HydrophobicContact CB-CG2 4.1Å |
| 58 | Y | 95.9 | Very high | 95.7 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 177.4 | -176.6 | -104.2 | 0 | 0 | 0 | 111.7 | I45 C54 R55 Y56 Y61 L62 L87 L96 | I45-Y58 HydrophobicContact CG1-CE2 4.39Å; I45-Y58 HydrophobicContact CG2-CE1 4.34Å; C54-Y58 WeakPolarHBondContact O-CB 3.48Å; C54-Y58 PolarHBondContact O-N 3.09Å; R55-Y58 PolarHBondContact O-N 2.85Å; Y56-Y58 VanDerWaalsContact C-N 3.29Å; Y56-Y58 PolarHBondContact O-N 3.31Å; Y58-Y61 HydrophobicContact CD2-CD1 4.07Å; Y58-Y61 HydrophobicContact CE2-CD1 4.14Å; Y58-Y61 HydrophobicContact CE2-CE1 4.17Å; Y58-Y61 WeakPolarHBondContact O-CB 3.47Å; Y58-Y61 PolarHBondContact O-N 3.01Å; Y58-L62 HydrophobicContact CD1-CD1 4.07Å; Y58-L62 HydrophobicContact CE1-CD1 3.64Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 WeakPolarHBondContact O-CG 3.45Å; Y58-L62 PolarHBondContact O-N 2.83Å; Y58-L87 HydrophobicContact CD2-CD2 4.22Å; Y58-L96 HydrophobicContact CD2-CD1 3.62Å; Y58-L96 HydrophobicContact CE2-CD1 3.9Å |
| 59 | D | 96.6 | Very high | 95.6 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175 | -175 | 69.9 | 0 | 0 | 0 | 111.8 | R55 Y56 Y61 L62 H63 | R55-D59 PolarHBondContact O-N 2.97Å; R55-D59 VanDerWaalsContact O-N 3.09Å; Y56-D59 PolarHBondContact O-N 3.39Å; D59-Y61 VanDerWaalsContact C-N 3.32Å; D59-Y61 PolarHBondContact O-N 2.88Å; D59-L62 PolarHBondContact O-N 2.75Å; D59-H63 PolarHBondContact O-N 3.24Å; D59-H63 VanDerWaalsContact O-N 3.11Å; D59-H63 PolarHBondContact O-ND1 3.32Å; D59-H63 IonicContact OD1-CE1 3Å; D59-H63 PolarHBondContact OD1-CE1 3.45Å; D59-H63 VanDerWaalsContact OD1-CE1 3.25Å; D59-H63 IonicContact OD1-ND1 2.6Å; D59-H63 IonicContact OD2-CE1 3.84Å; D59-H63 PolarHBondContact OD2-CE1 3.3Å; D59-H63 IonicContact OD2-ND1 3.88Å; D59-H63 PolarHBondContact OD2-ND1 2.95Å |
| 60 | Q | 96.7 | Very high | 95.5 | Very high | 65 Ų | 65 | 59 Ų | 59 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175 | -66.8 | -56.4 | -66.8 | 0 | 0 | 112 | Y56 A57 H63 A64 | Y56-Q60 HydrophobicContact CD1-CG 4.29Å; Y56-Q60 HydrophobicContact CE1-CG 3.87Å; Y56-Q60 HydrophobicContact CE2-CG 4.35Å; Y56-Q60 WeakPolarHBondContact O-CG 3.4Å; Y56-Q60 PolarHBondContact O-N 3.16Å; A57-Q60 PolarHBondContact O-N 3.1Å; Q60-H63 PolarHBondContact O-N 3.22Å; Q60-A64 WeakPolarHBondContact O-CB 3.47Å; Q60-A64 PolarHBondContact O-N 2.62Å |
| 61 | Y | 94.9 | Very high | 95.2 | Very high | 21 Ų | 21 | 58.2 Ų | 58.2 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 173.2 | 150.9 | -106.2 | 0 | 0 | 0 | 112 | A57 Y58 D59 H63 A64 C65 I69 L84 L87 I114 | A57-Y61 WeakPolarHBondContact O-CB 3.46Å; A57-Y61 PolarHBondContact O-N 3.45Å; Y58-Y61 HydrophobicContact CD2-CD1 4.07Å; Y58-Y61 HydrophobicContact CE2-CD1 4.14Å; Y58-Y61 HydrophobicContact CE2-CE1 4.17Å; Y58-Y61 WeakPolarHBondContact O-CB 3.47Å; Y58-Y61 PolarHBondContact O-N 3.01Å; D59-Y61 VanDerWaalsContact C-N 3.32Å; D59-Y61 PolarHBondContact O-N 2.88Å; Y61-H63 VanDerWaalsContact C-N 3.31Å; Y61-H63 PolarHBondContact O-N 3.15Å; Y61-A64 PolarHBondContact O-N 2.91Å; Y61-C65 HydrophobicContact CD2-CB 4.07Å; Y61-C65 VanDerWaalsContact CD2-SG 3.58Å; Y61-C65 HydrophobicContact CE2-CB 3.94Å; Y61-C65 VanDerWaalsContact O-CB 3.3Å; Y61-C65 WeakPolarHBondContact O-CB 3.19Å; Y61-C65 PolarHBondContact O-N 3.33Å; Y61-I69 HydrophobicContact CE2-CD1 4.47Å; Y61-L84 HydrophobicContact CD2-CD2 3.4Å; Y61-L84 VanDerWaalsContact CD2-CD2 3.4Å; Y61-L84 HydrophobicContact CD2-CG 4Å; Y61-L84 HydrophobicContact CE2-CD2 3.55Å; Y61-L84 HydrophobicContact CE2-CG 4.37Å; Y61-L84 HydrophobicContact CG-CD2 4.35Å; Y61-L87 HydrophobicContact CD1-CD2 4.16Å; Y61-L87 HydrophobicContact CG-CD2 4.11Å; Y61-I114 HydrophobicContact CE2-CD1 4.07Å; Y61-I114 HydrophobicContact CE2-CG1 4.2Å; Y61-I114 HydrophobicContact CE2-CG2 4.09Å |
| 62 | L | 95.6 | Very high | 94.9 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | -179.9 | -70.9 | 177.1 | 0 | 0 | 0 | 111.8 | Y58 D59 A66 I69 | Y58-L62 HydrophobicContact CD1-CD1 4.07Å; Y58-L62 HydrophobicContact CE1-CD1 3.64Å; Y58-L62 HydrophobicContact CE1-CG 4.2Å; Y58-L62 WeakPolarHBondContact O-CG 3.45Å; Y58-L62 PolarHBondContact O-N 2.83Å; D59-L62 PolarHBondContact O-N 2.75Å; L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.1Å; L62-I69 HydrophobicContact CD2-CD1 4.35Å |
| 63 | H | 96.8 | Very high | 94.4 | Very high | 126 Ų | 126 | 65.6 Ų | 65.6 | 58% | 0.583 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.6 | -48.6 | 177.9 | -71.7 | 88.5 | 0 | 0 | 0 | 112.1 | D59 Q60 Y61 C65 A66 | D59-H63 PolarHBondContact O-N 3.24Å; D59-H63 VanDerWaalsContact O-N 3.11Å; D59-H63 PolarHBondContact O-ND1 3.32Å; D59-H63 IonicContact OD1-CE1 3Å; D59-H63 PolarHBondContact OD1-CE1 3.45Å; D59-H63 VanDerWaalsContact OD1-CE1 3.25Å; D59-H63 IonicContact OD1-ND1 2.6Å; D59-H63 IonicContact OD2-CE1 3.84Å; D59-H63 PolarHBondContact OD2-CE1 3.3Å; D59-H63 IonicContact OD2-ND1 3.88Å; D59-H63 PolarHBondContact OD2-ND1 2.95Å; Q60-H63 PolarHBondContact O-N 3.22Å; Y61-H63 VanDerWaalsContact C-N 3.31Å; Y61-H63 PolarHBondContact O-N 3.15Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.1Å; H63-A66 WeakPolarHBondContact O-CB 3.41Å; H63-A66 PolarHBondContact O-N 2.98Å |
| 64 | A | 96.1 | Very high | 93.9 | Very high | 14 Ų | 14 | 70.6 Ų | 70.6 | 12% | 0.116 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q60 Y61 H79 C80 S83 | Q60-A64 WeakPolarHBondContact O-CB 3.47Å; Q60-A64 PolarHBondContact O-N 2.62Å; Y61-A64 PolarHBondContact O-N 2.91Å; A64-H79 PolarHBondContact O-CD2 2.91Å; A64-H79 PolarHBondContact O-NE2 3.35Å; A64-C80 HydrophobicContact CB-CB 4.48Å; A64-S83 WeakPolarHBondContact CB-OG 3.32Å |
| 65 | C | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -96.4 | 2.5 | -177.6 | -60.5 | 0 | 0 | 0 | 0 | 113.8 | Y61 H63 S67 V68 I69 C80 I114 | Y61-C65 HydrophobicContact CD2-CB 4.07Å; Y61-C65 VanDerWaalsContact CD2-SG 3.58Å; Y61-C65 HydrophobicContact CE2-CB 3.94Å; Y61-C65 VanDerWaalsContact O-CB 3.3Å; Y61-C65 WeakPolarHBondContact O-CB 3.19Å; Y61-C65 PolarHBondContact O-N 3.33Å; H63-C65 VanDerWaalsContact C-N 3.35Å; H63-C65 PolarHBondContact O-N 3.1Å; C65-S67 PolarHBondContact O-N 3.03Å; C65-S67 VanDerWaalsContact O-N 3.08Å; C65-V68 WeakPolarHBondContact O-CA 3.46Å; C65-V68 WeakPolarHBondContact O-CB 3.45Å; C65-V68 PolarHBondContact O-N 3.25Å; C65-I69 HydrophobicContact CB-CD1 4.09Å; C65-I69 HydrophobicContact CB-CG1 4.25Å; C65-I69 WeakPolarHBondContact O-CG1 3.47Å; C65-I69 PolarHBondContact O-N 3.27Å; C65-C80 VanDerWaalsContact CA-SG 3.56Å; C65-C80 HydrophobicContact CB-CB 4.07Å; C65-C80 WeakPolarHBondContact CB-SG 3.22Å; C65-C80 WeakPolarHBondContact SG-CA 3.39Å; C65-C80 WeakPolarHBondContact SG-CB 3.41Å; C65-C80 CovalentContact SG-SG 2.04Å; C65-C80 PolarHBondContact SG-SG 2.78Å; C65-I114 HydrophobicContact CB-CD1 3.73Å |
| 66 | A | 95.9 | Very high | 93 | Very high | 48 Ų | 48 | 74.2 Ų | 74.2 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -49.9 | -40.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L62 H63 V68 I69 S70 | L62-A66 WeakPolarHBondContact O-CB 3.44Å; L62-A66 PolarHBondContact O-N 3.1Å; H63-A66 WeakPolarHBondContact O-CB 3.41Å; H63-A66 PolarHBondContact O-N 2.98Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.21Å; A66-I69 PolarHBondContact O-N 3.41Å; A66-S70 VanDerWaalsContact O-CB 3.3Å; A66-S70 WeakPolarHBondContact O-CB 3.48Å; A66-S70 PolarHBondContact O-N 3.46Å; A66-S70 PolarHBondContact O-OG 3.44Å |
| 67 | S | 94.1 | Very high | 92.8 | Very high | 32 Ų | 32 | 67.7 Ų | 67.7 | 22% | 0.224 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.2 | -25.3 | 178.5 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | C65 S70 V72 R73 | C65-S67 PolarHBondContact O-N 3.03Å; C65-S67 VanDerWaalsContact O-N 3.08Å; S67-S70 PolarHBondContact O-OG 3.16Å; S67-V72 PolarHBondContact O-N 3.46Å; S67-V72 VanDerWaalsContact O-N 3.07Å; S67-R73 PolarHBondContact O-N 2.94Å |
| 68 | V | 94.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -86.1 | -44.2 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 110 | C65 A66 S70 G71 A113 I114 | C65-V68 WeakPolarHBondContact O-CA 3.46Å; C65-V68 WeakPolarHBondContact O-CB 3.45Å; C65-V68 PolarHBondContact O-N 3.25Å; A66-V68 VanDerWaalsContact C-N 3.3Å; A66-V68 PolarHBondContact O-N 3.21Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.24Å; V68-G71 PolarHBondContact O-N 3.34Å; V68-A113 HydrophobicContact CG1-CB 4.44Å; V68-A113 VanDerWaalsContact CG1-O 3.32Å; V68-A113 WeakPolarHBondContact CG1-O 3.43Å; V68-I114 HydrophobicContact CB-CD1 4.27Å; V68-I114 HydrophobicContact CG1-CD1 4.03Å |
| 69 | I | 94.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 75 Ų | 75 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 178.3 | -62.7 | 173.6 | 0 | 0 | 0 | 111 | Y61 L62 C65 A66 G71 T110 I114 | Y61-I69 HydrophobicContact CE2-CD1 4.47Å; L62-I69 HydrophobicContact CD2-CD1 4.35Å; C65-I69 HydrophobicContact CB-CD1 4.09Å; C65-I69 HydrophobicContact CB-CG1 4.25Å; C65-I69 WeakPolarHBondContact O-CG1 3.47Å; C65-I69 PolarHBondContact O-N 3.27Å; A66-I69 PolarHBondContact O-N 3.41Å; I69-G71 PolarHBondContact O-N 2.85Å; I69-T110 HydrophobicContact CD1-CG2 4.37Å; I69-T110 HydrophobicContact CG1-CG2 4.17Å; I69-T110 HydrophobicContact CG2-CG2 4.07Å; I69-I114 HydrophobicContact CG1-CD1 3.86Å; I69-I114 HydrophobicContact CG1-CG1 4.08Å |
| 70 | S | 92.3 | Very high | 92.1 | Very high | 78 Ų | 78 | 71.7 Ų | 71.7 | 55% | 0.545 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -8.5 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | A66 S67 V68 V72 | A66-S70 VanDerWaalsContact O-CB 3.3Å; A66-S70 WeakPolarHBondContact O-CB 3.48Å; A66-S70 PolarHBondContact O-N 3.46Å; A66-S70 PolarHBondContact O-OG 3.44Å; S67-S70 PolarHBondContact O-OG 3.16Å; V68-S70 VanDerWaalsContact C-N 3.31Å; V68-S70 PolarHBondContact O-N 3.24Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.84Å; S70-V72 WeakPolarHBondContact OG-CG2 3.32Å |
| 71 | G | 89 | Confident | 91.9 | Very high | 57 Ų | 57 | 71.4 Ų | 71.4 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 4.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V68 I69 R73 | V68-G71 PolarHBondContact O-N 3.34Å; I69-G71 PolarHBondContact O-N 2.85Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.49Å |
| 72 | V | 89.1 | Confident | 91.7 | Very high | 116 Ų | 116 | 73.1 Ų | 73.1 | 70% | 0.703 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -64.2 | -34.9 | 178.2 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | S67 S70 | S67-V72 PolarHBondContact O-N 3.46Å; S67-V72 VanDerWaalsContact O-N 3.07Å; S70-V72 VanDerWaalsContact C-N 3.27Å; S70-V72 PolarHBondContact O-N 2.84Å; S70-V72 WeakPolarHBondContact OG-CG2 3.32Å |
| 73 | R | 85.6 | Confident | 91.7 | Very high | 148 Ų | 148 | 70.5 Ų | 70.5 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | trans | -122.3 | 134.8 | 177 | -66.9 | -168.8 | 176.1 | -165.1 | 1.1 | 111 | S67 G71 | S67-R73 PolarHBondContact O-N 2.94Å; G71-R73 VanDerWaalsContact C-N 3.29Å; G71-R73 PolarHBondContact O-N 3.49Å | ||
| 74 | R | 82.6 | Confident | 91.4 | Very high | 248 Ų | 248 | 64.9 Ų | 64.9 | 94% | 0.936 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -92.1 | -12.1 | 172.3 | -62.3 | -168 | -179 | -170.8 | 1.4 | 114 | ||
| 75 | K | 86.5 | Confident | 91.1 | Very high | 182 Ų | 182 | 67.3 Ų | 67.3 | 79% | 0.791 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -105.1 | 135.8 | 176.5 | -69.3 | -174.4 | 179 | -178.3 | 0 | 109.5 | P77 | K75-P77 WeakPolarHBondContact O-CD 3.35Š|
| 76 | C | 87.4 | Confident | 90.9 | Very high | 38 Ų | 38 | 71.8 Ų | 71.8 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | trans | -74.5 | 121.3 | -178.7 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | I81 C117 | C76-I81 HydrophobicContact CB-CD1 3.97Å; C76-I81 HydrophobicContact CB-CG1 3.94Å; C76-C117 HydrophobicContact CB-CB 3.69Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.5Å; C76-C117 WeakPolarHBondContact SG-CB 3.2Å; C76-C117 CovalentContact SG-SG 2.02Å; C76-C117 PolarHBondContact SG-SG 2.96Å | ||
| 77 | P | 92.3 | Very high | 90.7 | Very high | 13 Ų | 13 | 70 Ų | 70 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -64.4 | 150.1 | 170.9 | -19.2 | 31.5 | 0 | 0 | 0 | 111.7 | K75 H79 C80 I81 | K75-P77 WeakPolarHBondContact O-CD 3.35Å; P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.29Å; P77-H79 PolarHBondContact O-N 2.94Å; P77-C80 HydrophobicContact CB-CB 4.31Å; P77-C80 HydrophobicContact CG-CB 4.36Å; P77-C80 WeakPolarHBondContact O-CB 3.35Å; P77-C80 PolarHBondContact O-N 3.41Å; P77-C80 VanDerWaalsContact O-N 3.14Å; P77-I81 PolarHBondContact O-N 2.93Å; P77-I81 VanDerWaalsContact O-N 3.13Å | ||
| 78 | S | 88.4 | Confident | 90.4 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -57.9 | -39.7 | 178 | 53.1 | 0 | 0 | 0 | 0 | 113.1 | I81 S82 | S78-I81 PolarHBondContact O-N 3.38Å; S78-S82 PolarHBondContact O-N 3.47Å |
| 79 | H | 92.9 | Very high | 90.2 | Very high | 101 Ų | 101 | 76.2 Ų | 76.2 | 47% | 0.468 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -36 | 177.3 | 54.3 | -90.8 | 0 | 0 | 0 | 112.6 | A64 P77 S82 S83 | A64-H79 PolarHBondContact O-CD2 2.91Å; A64-H79 PolarHBondContact O-NE2 3.35Å; P77-H79 VanDerWaalsContact C-N 3.3Å; P77-H79 WeakPolarHBondContact CB-CE1 3.29Å; P77-H79 PolarHBondContact O-N 2.94Å; H79-S82 PolarHBondContact O-N 3.13Å; H79-S83 PolarHBondContact O-N 3.34Å; H79-S83 PolarHBondContact O-OG 3.11Å; H79-S83 VanDerWaalsContact O-OG 3.07Å |
| 80 | C | 94 | Very high | 90 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 172.6 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | A64 C65 P77 S82 S83 L84 | A64-C80 HydrophobicContact CB-CB 4.48Å; C65-C80 VanDerWaalsContact CA-SG 3.56Å; C65-C80 HydrophobicContact CB-CB 4.07Å; C65-C80 WeakPolarHBondContact CB-SG 3.22Å; C65-C80 WeakPolarHBondContact SG-CA 3.39Å; C65-C80 WeakPolarHBondContact SG-CB 3.41Å; C65-C80 CovalentContact SG-SG 2.04Å; C65-C80 PolarHBondContact SG-SG 2.78Å; P77-C80 HydrophobicContact CB-CB 4.31Å; P77-C80 HydrophobicContact CG-CB 4.36Å; P77-C80 WeakPolarHBondContact O-CB 3.35Å; P77-C80 PolarHBondContact O-N 3.41Å; P77-C80 VanDerWaalsContact O-N 3.14Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.2Å; C80-S83 PolarHBondContact O-N 3.32Å; C80-L84 WeakPolarHBondContact O-CG 3.49Å; C80-L84 PolarHBondContact O-N 3.49Å |
| 81 | I | 91.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 80.5 Ų | 80.5 | 31% | 0.308 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 176 | -61.2 | 169.3 | 0 | 0 | 0 | 110.3 | C76 P77 S78 S83 L84 I85 P119 | C76-I81 HydrophobicContact CB-CD1 3.97Å; C76-I81 HydrophobicContact CB-CG1 3.94Å; P77-I81 PolarHBondContact O-N 2.93Å; P77-I81 VanDerWaalsContact O-N 3.13Å; S78-I81 PolarHBondContact O-N 3.38Å; I81-S83 PolarHBondContact O-N 3.29Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 2.99Å; I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 WeakPolarHBondContact O-CG1 3.21Å; I81-I85 PolarHBondContact O-N 3.47Å; I81-P119 HydrophobicContact CG2-CG 4.44Å |
| 82 | S | 91.1 | Very high | 89.8 | Confident | 56 Ų | 56 | 79.8 Ų | 79.8 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 178.2 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | S78 H79 C80 I85 Q86 | S78-S82 PolarHBondContact O-N 3.47Å; H79-S82 PolarHBondContact O-N 3.13Å; C80-S82 VanDerWaalsContact C-N 3.35Å; C80-S82 PolarHBondContact O-N 3.2Å; S82-I85 PolarHBondContact O-N 3.43Å; S82-Q86 WeakPolarHBondContact O-CG 3.48Å; S82-Q86 PolarHBondContact O-N 3.49Å |
| 83 | S | 94.3 | Very high | 89.9 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 8% | 0.084 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 176.6 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | A64 H79 C80 I81 Q86 L87 | A64-S83 WeakPolarHBondContact CB-OG 3.32Å; H79-S83 PolarHBondContact O-N 3.34Å; H79-S83 PolarHBondContact O-OG 3.11Å; H79-S83 VanDerWaalsContact O-OG 3.07Å; C80-S83 PolarHBondContact O-N 3.32Å; I81-S83 PolarHBondContact O-N 3.29Å; S83-Q86 PolarHBondContact O-N 3.32Å; S83-L87 WeakPolarHBondContact O-CB 3.12Å; S83-L87 PolarHBondContact O-N 2.82Å |
| 84 | L | 92.3 | Very high | 90 | Very high | 7 Ų | 7 | 69.8 Ų | 69.8 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 173 | -74.2 | 168 | 0 | 0 | 0 | 112.1 | Y61 C80 I81 L87 N88 I114 C117 M118 | Y61-L84 HydrophobicContact CD2-CD2 3.4Å; Y61-L84 VanDerWaalsContact CD2-CD2 3.4Å; Y61-L84 HydrophobicContact CD2-CG 4Å; Y61-L84 HydrophobicContact CE2-CD2 3.55Å; Y61-L84 HydrophobicContact CE2-CG 4.37Å; Y61-L84 HydrophobicContact CG-CD2 4.35Å; C80-L84 WeakPolarHBondContact O-CG 3.49Å; C80-L84 PolarHBondContact O-N 3.49Å; I81-L84 WeakPolarHBondContact O-CB 3.38Å; I81-L84 PolarHBondContact O-N 2.99Å; L84-L87 PolarHBondContact O-N 2.02Å; L84-N88 WeakPolarHBondContact O-CB 3.19Å; L84-N88 PolarHBondContact O-N 2.96Å; L84-I114 HydrophobicContact CD1-CG2 4.02Å; L84-I114 HydrophobicContact CD2-CG2 3.89Å; L84-C117 HydrophobicContact CD1-CB 3.7Å; L84-M118 HydrophobicContact CB-SD 4.11Å; L84-M118 HydrophobicContact CD1-SD 4.48Å; L84-M118 HydrophobicContact CD2-SD 4Å; L84-M118 HydrophobicContact CG-SD 4.43Å |
| 85 | I | 89.3 | Confident | 90.2 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 34% | 0.338 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.4 | -49.4 | 173.8 | -63.9 | 168.2 | 0 | 0 | 0 | 110.2 | I81 S82 L87 N88 L89 P119 | I81-I85 HydrophobicContact CG2-CD1 4.24Å; I81-I85 WeakPolarHBondContact O-CG1 3.21Å; I81-I85 PolarHBondContact O-N 3.47Å; S82-I85 PolarHBondContact O-N 3.43Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.14Å; I85-N88 PolarHBondContact O-N 2.96Å; I85-L89 HydrophobicContact CG2-CD1 4.25Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.36Å; I85-L89 VanDerWaalsContact O-N 3.14Å; I85-P119 HydrophobicContact CD1-CG 4.21Å; I85-P119 HydrophobicContact CG1-CB 4.3Å; I85-P119 HydrophobicContact CG1-CG 3.41Å; I85-P119 VanDerWaalsContact CG1-CG 3.41Å |
| 86 | Q | 90.6 | Very high | 90.4 | Very high | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | -179.4 | -73.6 | 175.1 | -1.1 | 0 | 0 | 112.1 | S82 S83 N88 L89 | S82-Q86 WeakPolarHBondContact O-CG 3.48Å; S82-Q86 PolarHBondContact O-N 3.49Å; S83-Q86 PolarHBondContact O-N 3.32Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.36Å; Q86-L89 PolarHBondContact O-N 3.08Å |
| 87 | L | 92.2 | Very high | 90.1 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -46.4 | 174.8 | -178.2 | 58.9 | 0 | 0 | 0 | 110.6 | A57 Y58 Y61 S83 L84 I85 L89 T90 G93 L96 | A57-L87 HydrophobicContact CB-CB 4.27Å; A57-L87 HydrophobicContact CB-CD1 4.03Å; Y58-L87 HydrophobicContact CD2-CD2 4.22Å; Y61-L87 HydrophobicContact CD1-CD2 4.16Å; Y61-L87 HydrophobicContact CG-CD2 4.11Å; S83-L87 WeakPolarHBondContact O-CB 3.12Å; S83-L87 PolarHBondContact O-N 2.82Å; L84-L87 PolarHBondContact O-N 2.02Å; I85-L87 VanDerWaalsContact C-N 3.34Å; I85-L87 PolarHBondContact O-N 3.14Å; L87-L89 PolarHBondContact O-N 2.97Å; L87-T90 WeakPolarHBondContact O-CB 3.08Å; L87-T90 PolarHBondContact O-N 3.18Å; L87-T90 VanDerWaalsContact O-N 3.11Å; L87-T90 PolarHBondContact O-OG1 3.01Å; L87-G93 WeakPolarHBondContact O-CA 3.34Å; L87-L96 HydrophobicContact CD1-CD1 4.14Å; L87-L96 HydrophobicContact CD2-CD1 3.98Å; L87-L96 HydrophobicContact CG-CD1 4.35Å |
| 88 | N | 88.9 | Confident | 89.4 | Confident | 26 Ų | 26 | 58.3 Ų | 58.3 | 14% | 0.139 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.7 | -18.4 | -179.6 | -162.6 | 60.9 | 0 | 0 | 0 | 114.7 | L84 I85 Q86 T90 P94 M118 T121 | L84-N88 WeakPolarHBondContact O-CB 3.19Å; L84-N88 PolarHBondContact O-N 2.96Å; I85-N88 PolarHBondContact O-N 2.96Å; Q86-N88 VanDerWaalsContact C-N 3.32Å; Q86-N88 PolarHBondContact O-N 3.36Å; N88-T90 VanDerWaalsContact C-N 3.3Å; N88-P94 WeakPolarHBondContact O-CG 3.48Å; N88-P94 WeakPolarHBondContact OD1-CA 3.18Å; N88-P94 WeakPolarHBondContact OD1-CG 3.49Å; N88-M118 HydrophobicContact CB-CE 3.89Å; N88-T121 WeakPolarHBondContact ND2-CB 3.41Å; N88-T121 PolarHBondContact ND2-OG1 3.39Å |
| 89 | L | 88.8 | Confident | 89.4 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 74% | 0.743 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -11.9 | 175.4 | -70.3 | 171.1 | 0 | 0 | 0 | 113.3 | I85 Q86 L87 | I85-L89 HydrophobicContact CG2-CD1 4.25Å; I85-L89 WeakPolarHBondContact O-CG 3.43Å; I85-L89 PolarHBondContact O-N 3.36Å; I85-L89 VanDerWaalsContact O-N 3.14Å; Q86-L89 PolarHBondContact O-N 3.08Å; L87-L89 PolarHBondContact O-N 2.97Å |
| 90 | T | 90.3 | Very high | 89.4 | Confident | 18 Ų | 18 | 52.9 Ų | 52.9 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -80.6 | 164.2 | 177.9 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | C54 A57 L87 N88 H92 G93 P94 | C54-T90 HydrophobicContact CB-CG2 4.31Å; C54-T90 PolarHBondContact SG-OG1 2.99Å; A57-T90 HydrophobicContact CB-CG2 4.1Å; L87-T90 WeakPolarHBondContact O-CB 3.08Å; L87-T90 PolarHBondContact O-N 3.18Å; L87-T90 VanDerWaalsContact O-N 3.11Å; L87-T90 PolarHBondContact O-OG1 3.01Å; N88-T90 VanDerWaalsContact C-N 3.3Å; T90-H92 PolarHBondContact O-N 3.41Å; T90-G93 WeakPolarHBondContact OG1-CA 3.25Å; T90-G93 PolarHBondContact OG1-N 3.42Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; T90-P94 VanDerWaalsContact O-CD 3.23Å; T90-P94 WeakPolarHBondContact O-CD 3.38Å |
| 91 | R | 88.1 | Confident | 89.3 | Confident | 198 Ų | 198 | 53.4 Ų | 53.4 | 75% | 0.747 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -64.2 | -40.9 | -174.6 | -174.7 | -173.8 | -177.1 | -170.9 | 1.3 | 112.8 | E51 | E51-R91 WeakPolarHBondContact OE1-CB 3.29Å; E51-R91 PolarHBondContact OE1-N 3.13Å; E51-R91 WeakPolarHBondContact OE2-CB 3.31Å |
| 92 | H | 90.3 | Very high | 89.2 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -107.2 | -0.5 | -176.9 | -71.1 | -60.3 | 0 | 0 | 0 | 114.6 | R47 C48 E51 T90 D95 | R47-H92 HydrophobicContact CB-CB 4.36Å; C48-H92 HydrophobicContact CB-CB 4.29Å; E51-H92 IonicContact OE2-CD2 3.17Å; E51-H92 PolarHBondContact OE2-CD2 3.09Å; E51-H92 IonicContact OE2-CG 3.37Å; E51-H92 PolarHBondContact OE2-N 3.4Å; T90-H92 PolarHBondContact O-N 3.41Å; H92-D95 IonicContact ND1-OD2 3.98Å; H92-D95 PolarHBondContact ND1-OD2 3.19Å; H92-D95 WeakPolarHBondContact O-CB 3.35Å; H92-D95 PolarHBondContact O-N 2.92Å |
| 93 | G | 89.8 | Confident | 89.1 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -62.5 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | C54 L87 T90 D95 L96 | C54-G93 PolarHBondContact SG-N 3.17Å; L87-G93 WeakPolarHBondContact O-CA 3.34Å; T90-G93 WeakPolarHBondContact OG1-CA 3.25Å; T90-G93 PolarHBondContact OG1-N 3.42Å; T90-G93 VanDerWaalsContact OG1-N 3.1Å; G93-D95 PolarHBondContact O-N 2.72Å; G93-L96 VanDerWaalsContact O-CB 3.3Å; G93-L96 WeakPolarHBondContact O-CB 3.44Å; G93-L96 PolarHBondContact O-N 3.27Å |
| 94 | P | 87.8 | Confident | 89 | Confident | 51 Ų | 51 | 57.8 Ų | 57.8 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -58.9 | -29.8 | 177.7 | -25.7 | 33.2 | 0 | 0 | 0 | 114.1 | N88 T90 L96 E97 | N88-P94 WeakPolarHBondContact O-CG 3.48Å; N88-P94 WeakPolarHBondContact OD1-CA 3.18Å; N88-P94 WeakPolarHBondContact OD1-CG 3.49Å; T90-P94 VanDerWaalsContact O-CD 3.23Å; T90-P94 WeakPolarHBondContact O-CD 3.38Å; P94-L96 PolarHBondContact O-N 2.68Å; P94-L96 VanDerWaalsContact O-N 3.08Å; P94-E97 PolarHBondContact O-N 3.49Å; P94-E97 VanDerWaalsContact O-N 3.14Å |
| 95 | D | 88.2 | Confident | 89 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -60.7 | -19.7 | 176.8 | -68.1 | -18 | 0 | 0 | 0 | 112 | P39 A44 H92 G93 D98 C99 | P39-D95 HydrophobicContact CG-CB 4.48Å; A44-D95 HydrophobicContact CB-CB 4.02Å; H92-D95 IonicContact ND1-OD2 3.98Å; H92-D95 PolarHBondContact ND1-OD2 3.19Å; H92-D95 WeakPolarHBondContact O-CB 3.35Å; H92-D95 PolarHBondContact O-N 2.92Å; G93-D95 PolarHBondContact O-N 2.72Å; D95-D98 CarbonylContact O-C 3.56Å; D95-C99 VanDerWaalsContact O-CB 3.26Å; D95-C99 WeakPolarHBondContact O-CB 3.4Å; D95-C99 PolarHBondContact O-N 2.83Å |
| 96 | L | 89.1 | Confident | 89.1 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 15% | 0.152 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -83.1 | -24.5 | 179.7 | -61.4 | 169.6 | 0 | 0 | 0 | 113.4 | A44 I45 C48 Y58 L87 G93 P94 C99 | A44-L96 HydrophobicContact CB-CD2 3.79Å; I45-L96 HydrophobicContact CB-CD2 4.34Å; I45-L96 HydrophobicContact CG1-CD2 3.52Å; C48-L96 HydrophobicContact CB-CD1 4.38Å; Y58-L96 HydrophobicContact CD2-CD1 3.62Å; Y58-L96 HydrophobicContact CE2-CD1 3.9Å; L87-L96 HydrophobicContact CD1-CD1 4.14Å; L87-L96 HydrophobicContact CD2-CD1 3.98Å; L87-L96 HydrophobicContact CG-CD1 4.35Å; G93-L96 VanDerWaalsContact O-CB 3.3Å; G93-L96 WeakPolarHBondContact O-CB 3.44Å; G93-L96 PolarHBondContact O-N 3.27Å; P94-L96 PolarHBondContact O-N 2.68Å; P94-L96 VanDerWaalsContact O-N 3.08Å; L96-C99 PolarHBondContact O-SG 2.78Å |
| 97 | E | 82.7 | Confident | 89.3 | Confident | 73 Ų | 73 | 59.9 Ų | 59.9 | 34% | 0.341 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -45.6 | 176.6 | -177.4 | -176.5 | 169.5 | 0 | 0 | 110 | R38 P94 M118 | R38-E97 PolarHBondContact NH2-O 2.8Å; P94-E97 PolarHBondContact O-N 3.49Å; P94-E97 VanDerWaalsContact O-N 3.14Å; E97-M118 HydrophobicContact CG-CG 4.28Å |
| 98 | D | 76.8 | Confident | 89.3 | Confident | 89 Ų | 89 | 63.3 Ų | 63.3 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 58.1 | 178.7 | -153.7 | 40.7 | 0 | 0 | 0 | 110.4 | R38 D95 | R38-D98 WeakPolarHBondContact CD-OD1 3.5Å; R38-D98 HydrophobicContact CG-CB 4.37Å; R38-D98 WeakPolarHBondContact CG-O 3.34Å; R38-D98 IonicContact CZ-OD1 3.92Å; R38-D98 VanDerWaalsContact NE-CA 3.34Å; R38-D98 PolarHBondContact NE-O 2.96Å; R38-D98 IonicContact NE-OD1 2.71Å; R38-D98 PolarHBondContact NE-OD1 2.85Å; R38-D98 VanDerWaalsContact NE-OD1 3.17Å; R38-D98 IonicContact NH1-OD1 3.46Å; R38-D98 PolarHBondContact NH1-OD1 3.46Å; R38-D98 VanDerWaalsContact NH2-C 3.31Å; R38-D98 IonicContact NH2-OD1 3.04Å; D95-D98 CarbonylContact O-C 3.56Å |
| 99 | C | 88.9 | Confident | 89.5 | Confident | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.034 | 37% | 0.365 | C | S | . | . | trans | -108.7 | 147.3 | 164.6 | 62 | 0 | 0 | 0 | 0 | 116.1 | R38 P39 C41 A44 D95 L96 | R38-C99 VanDerWaalsContact CZ-N 3.26Å; R38-C99 PolarHBondContact NE-O 3.42Å; R38-C99 PolarHBondContact NH2-O 2.04Å; P39-C99 CarbonylContact O-C 3.52Å; P39-C99 WeakPolarHBondContact O-CA 3.41Å; P39-C99 WeakPolarHBondContact O-CB 3.34Å; C41-C99 VanDerWaalsContact CA-CB 3.42Å; C41-C99 WeakPolarHBondContact CA-SG 3.09Å; C41-C99 HydrophobicContact CB-CB 3.79Å; C41-C99 WeakPolarHBondContact CB-SG 3.14Å; C41-C99 WeakPolarHBondContact SG-CB 3.07Å; C41-C99 PolarHBondContact SG-O 2.01Å; C41-C99 CovalentContact SG-SG 2.03Å; C41-C99 PolarHBondContact SG-SG 3.19Å; A44-C99 HydrophobicContact CB-CB 4.07Å; D95-C99 VanDerWaalsContact O-CB 3.26Å; D95-C99 WeakPolarHBondContact O-CB 3.4Å; D95-C99 PolarHBondContact O-N 2.83Å; L96-C99 PolarHBondContact O-SG 2.78Å | ||
| 100 | D | 92.4 | Very high | 89.6 | Confident | 82 Ų | 82 | 60.2 Ų | 60.2 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 122 | 178.5 | -178.3 | 7.2 | 0 | 0 | 0 | 111.3 | P39 V40 C41 A102 | P39-D100 PolarHBondContact O-N 3.33Å; V40-D100 CarbonylContact C-O 3.58Å; V40-D100 VanDerWaalsContact CA-O 3.26Å; V40-D100 WeakPolarHBondContact CA-O 3.06Å; V40-D100 VanDerWaalsContact CG1-O 3.24Å; V40-D100 WeakPolarHBondContact CG1-O 3.36Å; C41-D100 PolarHBondContact N-O 3.04Å; D100-A102 PolarHBondContact O-N 3.01Å; D100-A102 PolarHBondContact OD1-N 3.3Å |
| 101 | C | 91.4 | Very high | 89.6 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | trans | -75.2 | -8.3 | 176.1 | -74.9 | 0 | 0 | 0 | 0 | 114.1 | A103 D104 C107 R108 Q111 | C101-A103 PolarHBondContact O-N 2.9Å; C101-D104 WeakPolarHBondContact O-CB 3.47Å; C101-D104 PolarHBondContact O-N 3.45Å; C101-C107 WeakPolarHBondContact CA-SG 3.48Å; C101-C107 HydrophobicContact CB-CB 3.64Å; C101-C107 WeakPolarHBondContact CB-SG 3.44Å; C101-C107 WeakPolarHBondContact SG-CB 3.09Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.87Å; C101-R108 HydrophobicContact CB-CG 3.63Å; C101-R108 PolarHBondContact SG-N 3.25Å; C101-R108 VanDerWaalsContact SG-N 3.42Å; C101-Q111 PolarHBondContact SG-OE1 3.42Å; C101-Q111 VanDerWaalsContact SG-OE1 3.32Å | ||
| 102 | A | 89.9 | Confident | 89.7 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 47% | 0.471 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -125.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V40 D100 R108 | V40-A102 HydrophobicContact CG1-CB 4.33Å; D100-A102 PolarHBondContact O-N 3.01Å; D100-A102 PolarHBondContact OD1-N 3.3Å; A102-R108 PolarHBondContact O-NH1 3.06Å |
| 103 | A | 89.1 | Confident | 89.7 | Confident | 84 Ų | 84 | 61 Ų | 61 | 69% | 0.694 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -4.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | C101 P105 R108 | C101-A103 PolarHBondContact O-N 2.9Å; A103-P105 VanDerWaalsContact O-CD 3.31Å; A103-P105 WeakPolarHBondContact O-CD 3.49Å; A103-R108 VanDerWaalsContact CA-NH1 3.33Å; A103-R108 PolarHBondContact O-NH1 2.78Å; A103-R108 VanDerWaalsContact O-NH1 3.09Å; A103-R108 PolarHBondContact O-NH2 3.38Å |
| 104 | D | 92.7 | Very high | 89.8 | Confident | 79 Ų | 79 | 61.5 Ų | 61.5 | 42% | 0.422 | 35% | 0.349 | S | S | . | . | trans | -73.5 | 113.5 | -172.4 | -175.3 | -17.6 | 0 | 0 | 0 | 113 | C101 V106 C107 R108 | C101-D104 WeakPolarHBondContact O-CB 3.47Å; C101-D104 PolarHBondContact O-N 3.45Å; D104-V106 WeakPolarHBondContact OD1-CA 3.36Å; D104-V106 WeakPolarHBondContact OD1-CB 3.05Å; D104-V106 PolarHBondContact OD1-N 3.48Å; D104-C107 HydrophobicContact CB-CB 3.81Å; D104-C107 PolarHBondContact OD1-N 3.17Å; D104-C107 VanDerWaalsContact OD1-N 3.1Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.45Å | ||
| 105 | P | 92.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 63.9 Ų | 63.9 | 55% | 0.552 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.6 | -29.9 | 179.2 | 30.3 | -34.1 | 0 | 0 | 0 | 113.6 | A103 S109 | A103-P105 VanDerWaalsContact O-CD 3.31Å; A103-P105 WeakPolarHBondContact O-CD 3.49Å; P105-S109 WeakPolarHBondContact O-CB 3.26Å; P105-S109 PolarHBondContact O-N 3.4Å |
| 106 | V | 92.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 62% | 0.618 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.7 | -44.1 | 179.8 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | D104 S109 T110 | D104-V106 WeakPolarHBondContact OD1-CA 3.36Å; D104-V106 WeakPolarHBondContact OD1-CB 3.05Å; D104-V106 PolarHBondContact OD1-N 3.48Å; V106-S109 PolarHBondContact O-N 3.2Å; V106-T110 WeakPolarHBondContact O-CB 3.3Å; V106-T110 PolarHBondContact O-N 3.36Å; V106-T110 PolarHBondContact O-OG1 2.7Å |
| 107 | C | 93.2 | Very high | 89.6 | Confident | 24 Ų | 24 | 65.1 Ų | 65.1 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.2 | -52.8 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 111 | C41 C101 D104 S109 T110 Q111 | C41-C107 PolarHBondContact SG-SG 2.03Å; C101-C107 WeakPolarHBondContact CA-SG 3.48Å; C101-C107 HydrophobicContact CB-CB 3.64Å; C101-C107 WeakPolarHBondContact CB-SG 3.44Å; C101-C107 WeakPolarHBondContact SG-CB 3.09Å; C101-C107 CovalentContact SG-SG 2.04Å; C101-C107 PolarHBondContact SG-SG 2.87Å; D104-C107 HydrophobicContact CB-CB 3.81Å; D104-C107 PolarHBondContact OD1-N 3.17Å; D104-C107 VanDerWaalsContact OD1-N 3.1Å; C107-S109 VanDerWaalsContact C-N 3.34Å; C107-S109 PolarHBondContact O-N 3.13Å; C107-T110 PolarHBondContact O-N 3.49Å; C107-Q111 WeakPolarHBondContact O-CB 3.32Å; C107-Q111 PolarHBondContact O-N 3.05Å |
| 108 | R | 93.2 | Very high | 89.6 | Confident | 82 Ų | 82 | 63 Ų | 63 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | -179.9 | -71.9 | -173.4 | -63.5 | -97 | -4.3 | 112.8 | C101 A102 A103 D104 R112 | C101-R108 HydrophobicContact CB-CG 3.63Å; C101-R108 PolarHBondContact SG-N 3.25Å; C101-R108 VanDerWaalsContact SG-N 3.42Å; A102-R108 PolarHBondContact O-NH1 3.06Å; A103-R108 VanDerWaalsContact CA-NH1 3.33Å; A103-R108 PolarHBondContact O-NH1 2.78Å; A103-R108 VanDerWaalsContact O-NH1 3.09Å; A103-R108 PolarHBondContact O-NH2 3.38Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 3.45Å; R108-R112 WeakPolarHBondContact O-CB 3.22Å; R108-R112 VanDerWaalsContact O-CG 3.25Å; R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 2.99Å; R108-R112 VanDerWaalsContact O-N 3.08Å |
| 109 | S | 91.9 | Very high | 89.1 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 111.1 | P105 V106 C107 R112 A113 | P105-S109 WeakPolarHBondContact O-CB 3.26Å; P105-S109 PolarHBondContact O-N 3.4Å; V106-S109 PolarHBondContact O-N 3.2Å; C107-S109 VanDerWaalsContact C-N 3.34Å; C107-S109 PolarHBondContact O-N 3.13Å; S109-R112 PolarHBondContact O-N 3.28Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.04Å |
| 110 | T | 91.9 | Very high | 87.8 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | 178.1 | -57.6 | 0 | 0 | 0 | 0 | 111 | I69 V106 C107 R112 A113 I114 | I69-T110 HydrophobicContact CD1-CG2 4.37Å; I69-T110 HydrophobicContact CG1-CG2 4.17Å; I69-T110 HydrophobicContact CG2-CG2 4.07Å; V106-T110 WeakPolarHBondContact O-CB 3.3Å; V106-T110 PolarHBondContact O-N 3.36Å; V106-T110 PolarHBondContact O-OG1 2.7Å; C107-T110 PolarHBondContact O-N 3.49Å; T110-R112 PolarHBondContact O-N 3.35Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.13Å; T110-I114 HydrophobicContact CG2-CG1 4.41Å; T110-I114 WeakPolarHBondContact O-CB 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.16Å |
| 111 | Q | 90.1 | Very high | 85.9 | Confident | 61 Ų | 61 | 67 Ų | 67 | 29% | 0.285 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 180 | -169 | -176.6 | -9 | 0 | 0 | 111.6 | C101 C107 A113 I114 D115 | C101-Q111 PolarHBondContact SG-OE1 3.42Å; C101-Q111 VanDerWaalsContact SG-OE1 3.32Å; C107-Q111 WeakPolarHBondContact O-CB 3.32Å; C107-Q111 PolarHBondContact O-N 3.05Å; Q111-A113 VanDerWaalsContact C-N 3.32Å; Q111-A113 PolarHBondContact O-N 2.89Å; Q111-I114 PolarHBondContact O-N 3.31Å; Q111-D115 WeakPolarHBondContact O-CB 3Å; Q111-D115 PolarHBondContact O-N 2.85Å |
| 112 | R | 89.9 | Confident | 84.1 | Confident | 183 Ų | 183 | 70.5 Ų | 70.5 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.8 | -34 | 176 | -71.4 | 172.2 | -172.3 | 163.6 | 0.7 | 113.2 | R108 S109 T110 I114 P116 | R108-R112 WeakPolarHBondContact O-CB 3.22Å; R108-R112 VanDerWaalsContact O-CG 3.25Å; R108-R112 WeakPolarHBondContact O-CG 3.34Å; R108-R112 PolarHBondContact O-N 2.99Å; R108-R112 VanDerWaalsContact O-N 3.08Å; S109-R112 PolarHBondContact O-N 3.28Å; T110-R112 PolarHBondContact O-N 3.35Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-P116 WeakPolarHBondContact O-CD 3.36Å |
| 113 | A | 91.5 | Very high | 82.8 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 26% | 0.256 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -71 | -31.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V68 S109 T110 Q111 P116 | V68-A113 HydrophobicContact CG1-CB 4.44Å; V68-A113 VanDerWaalsContact CG1-O 3.32Å; V68-A113 WeakPolarHBondContact CG1-O 3.43Å; S109-A113 WeakPolarHBondContact O-CB 3.37Å; S109-A113 PolarHBondContact O-N 3.04Å; T110-A113 PolarHBondContact O-N 3.35Å; T110-A113 VanDerWaalsContact O-N 3.13Å; Q111-A113 VanDerWaalsContact C-N 3.32Å; Q111-A113 PolarHBondContact O-N 2.89Å; A113-P116 WeakPolarHBondContact O-CD 3.03Å |
| 114 | I | 91.7 | Very high | 82.4 | Confident | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.067 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -94.9 | -26.2 | -174.8 | -65.7 | -64 | 0 | 0 | 0 | 113.4 | Y61 C65 V68 I69 L84 T110 Q111 R112 P116 C117 M118 | Y61-I114 HydrophobicContact CE2-CD1 4.07Å; Y61-I114 HydrophobicContact CE2-CG1 4.2Å; Y61-I114 HydrophobicContact CE2-CG2 4.09Å; C65-I114 HydrophobicContact CB-CD1 3.73Å; V68-I114 HydrophobicContact CB-CD1 4.27Å; V68-I114 HydrophobicContact CG1-CD1 4.03Å; I69-I114 HydrophobicContact CG1-CD1 3.86Å; I69-I114 HydrophobicContact CG1-CG1 4.08Å; L84-I114 HydrophobicContact CD1-CG2 4.02Å; L84-I114 HydrophobicContact CD2-CG2 3.89Å; T110-I114 HydrophobicContact CG2-CG1 4.41Å; T110-I114 WeakPolarHBondContact O-CB 3.46Å; T110-I114 WeakPolarHBondContact O-CG1 3.49Å; T110-I114 PolarHBondContact O-N 3.16Å; Q111-I114 PolarHBondContact O-N 3.31Å; R112-I114 VanDerWaalsContact C-N 3.33Å; I114-P116 VanDerWaalsContact C-N 3.27Å; I114-P116 VanDerWaalsContact O-N 3.14Å; I114-C117 WeakPolarHBondContact O-CA 3.32Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.43Å; I114-M118 PolarHBondContact O-N 3.4Å; I114-M118 VanDerWaalsContact O-N 3.14Å |
| 115 | D | 87.8 | Confident | 82.2 | Confident | 101 Ų | 101 | 67.4 Ų | 67.4 | 54% | 0.54 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -47.3 | -40.4 | 176.3 | -172.6 | 58.5 | 0 | 0 | 0 | 113.7 | Q111 C117 M118 | Q111-D115 WeakPolarHBondContact O-CB 3Å; Q111-D115 PolarHBondContact O-N 2.85Å; D115-C117 VanDerWaalsContact C-N 3.31Å; D115-C117 PolarHBondContact O-N 3.07Å; D115-M118 PolarHBondContact O-N 3.33Å |
| 116 | P | 87.4 | Confident | 82.1 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 64% | 0.636 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -70.9 | -20.9 | 175.2 | -18.4 | 33.3 | 0 | 0 | 0 | 114.9 | R112 A113 I114 | R112-P116 WeakPolarHBondContact O-CD 3.36Å; A113-P116 WeakPolarHBondContact O-CD 3.03Å; I114-P116 VanDerWaalsContact C-N 3.27Å; I114-P116 VanDerWaalsContact O-N 3.14Å |
| 117 | C | 85.9 | Confident | 82.1 | Confident | 5 Ų | 5 | 62.9 Ų | 62.9 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -89.2 | -16.5 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 112.7 | C76 L84 I114 D115 P119 | C76-C117 HydrophobicContact CB-CB 3.69Å; C76-C117 WeakPolarHBondContact CB-SG 3.36Å; C76-C117 WeakPolarHBondContact SG-CA 3.5Å; C76-C117 WeakPolarHBondContact SG-CB 3.2Å; C76-C117 CovalentContact SG-SG 2.02Å; C76-C117 PolarHBondContact SG-SG 2.96Å; L84-C117 HydrophobicContact CD1-CB 3.7Å; I114-C117 WeakPolarHBondContact O-CA 3.32Å; I114-C117 WeakPolarHBondContact O-CB 3.39Å; I114-C117 PolarHBondContact O-N 3.43Å; D115-C117 VanDerWaalsContact C-N 3.31Å; D115-C117 PolarHBondContact O-N 3.07Å; C117-P119 WeakPolarHBondContact O-CD 3.45Å |
| 118 | M | 82.2 | Confident | 82 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 13% | 0.133 | 35% | 0.348 | C | S | . | . | trans | -68.9 | 118.3 | -177.5 | -163.3 | 63.9 | -162.1 | 0 | 0 | 109.2 | L84 N88 E97 I114 D115 R120 | L84-M118 HydrophobicContact CB-SD 4.11Å; L84-M118 HydrophobicContact CD1-SD 4.48Å; L84-M118 HydrophobicContact CD2-SD 4Å; L84-M118 HydrophobicContact CG-SD 4.43Å; N88-M118 HydrophobicContact CB-CE 3.89Å; E97-M118 HydrophobicContact CG-CG 4.28Å; I114-M118 PolarHBondContact O-N 3.4Å; I114-M118 VanDerWaalsContact O-N 3.14Å; D115-M118 PolarHBondContact O-N 3.33Å; M118-R120 PolarHBondContact O-N 3.38Å | ||
| 119 | P | 66.8 | Low | 81.9 | Confident | 31 Ų | 31 | 61.9 Ų | 61.9 | 20% | 0.201 | 33% | 0.333 | C | S | . | . | trans | -66.6 | 126 | 166.8 | 25.1 | -21.8 | 0 | 0 | 0 | 105.9 | I81 I85 C117 T121 | I81-P119 HydrophobicContact CG2-CG 4.44Å; I85-P119 HydrophobicContact CD1-CG 4.21Å; I85-P119 HydrophobicContact CG1-CB 4.3Å; I85-P119 HydrophobicContact CG1-CG 3.41Å; I85-P119 VanDerWaalsContact CG1-CG 3.41Å; C117-P119 WeakPolarHBondContact O-CD 3.45Å; P119-T121 HydrophobicContact CB-CG2 4Å; P119-T121 HydrophobicContact CG-CG2 4.12Å; P119-T121 PolarHBondContact O-N 2.68Å; P119-T121 PolarHBondContact O-OG1 2.96Å; P119-T121 VanDerWaalsContact O-OG1 3.12Å | ||
| 120 | R | 61.3 | Low | 81.9 | Confident | 192 Ų | 192 | 64.4 Ų | 64.4 | 73% | 0.725 | 33% | 0.332 | S | S | * | . | trans | -67.9 | 85 | 178.4 | -63.8 | -153.7 | 178.7 | -173 | -0.6 | 109 | M118 | M118-R120 PolarHBondContact O-N 3.38Š| ||
| 121 | T | 50.8 | Low | 82 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | trans | -102.1 | 12 | -175.8 | 44.1 | 0 | 0 | 0 | 0 | 112.4 | N88 P119 T123 | N88-T121 WeakPolarHBondContact ND2-CB 3.41Å; N88-T121 PolarHBondContact ND2-OG1 3.39Å; P119-T121 HydrophobicContact CB-CG2 4Å; P119-T121 HydrophobicContact CG-CG2 4.12Å; P119-T121 PolarHBondContact O-N 2.68Å; P119-T121 PolarHBondContact O-OG1 2.96Å; P119-T121 VanDerWaalsContact O-OG1 3.12Å; T121-T123 PolarHBondContact O-N 2.85Å | ||
| 122 | S | 54 | Low | 82.1 | Confident | 84 Ų | 84 | 67 Ų | 67 | 59% | 0.587 | 34% | 0.344 | S | S | * | . | trans | -63.4 | 73.6 | 145.2 | 176.4 | 0 | 0 | 0 | 0 | 107.5 | M124 | S122-M124 PolarHBondContact O-N 3.4Š| ||
| 123 | T | 63.7 | Low | 82.3 | Confident | 102 Ų | 102 | 58.3 Ų | 58.3 | 63% | 0.626 | 31% | 0.311 | S | S | * | . | trans | -78.1 | 54.8 | 176.8 | 54.4 | 0 | 0 | 0 | 0 | 108.4 | T121 G125 V183 | T121-T123 PolarHBondContact O-N 2.85Å; T123-G125 PolarHBondContact O-N 2.79Å; T123-V183 HydrophobicContact CG2-CG2 4.23Å | ||
| 124 | M | 79.6 | Confident | 82.4 | Confident | 42 Ų | 42 | 61 Ų | 61 | 21% | 0.207 | 32% | 0.319 | C | S | . | . | trans | -65.5 | 119.8 | 163 | -175.1 | 178.7 | -73.7 | 0 | 0 | 106.4 | S122 E128 A129 Q178 C182 V183 | S122-M124 PolarHBondContact O-N 3.4Å; M124-E128 HydrophobicContact CG-CB 4.16Å; M124-E128 HydrophobicContact CG-CG 4.16Å; M124-A129 HydrophobicContact CG-CB 4.05Å; M124-A129 VanDerWaalsContact SD-CA 3.58Å; M124-A129 HydrophobicContact SD-CB 3.62Å; M124-Q178 HydrophobicContact SD-CB 4.06Å; M124-Q178 HydrophobicContact SD-CG 4.45Å; M124-Q178 PolarHBondContact SD-OE1 2.02Å; M124-C182 CarbonylContact O-C 3.58Å; M124-C182 VanDerWaalsContact O-CA 3.26Å; M124-C182 WeakPolarHBondContact O-CA 3.47Å; M124-C182 VanDerWaalsContact O-CB 3.24Å; M124-C182 WeakPolarHBondContact O-CB 3.27Å; M124-V183 PolarHBondContact O-N 3.22Å | ||
| 125 | G | 88.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 11% | 0.113 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 141.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | T123 T127 E128 A129 V183 D185 | T123-G125 PolarHBondContact O-N 2.79Å; G125-T127 PolarHBondContact O-N 3.1Å; G125-T127 VanDerWaalsContact O-N 3.17Å; G125-E128 PolarHBondContact O-N 2.8Å; G125-A129 PolarHBondContact O-N 3.26Å; G125-V183 CarbonylContact C-O 3.49Å; G125-V183 WeakPolarHBondContact CA-O 3.32Å; G125-D185 VanDerWaalsContact CA-CG 3.46Å; G125-D185 VanDerWaalsContact CA-OD2 3.31Å; G125-D185 WeakPolarHBondContact CA-OD2 3.37Å |
| 126 | C | 91 | Very high | 82.9 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -24.5 | 176.5 | -66.4 | 0 | 0 | 0 | 0 | 112.1 | R130 C182 V183 D185 | C126-R130 WeakPolarHBondContact O-CB 3.04Å; C126-R130 PolarHBondContact O-N 3.27Å; C126-C182 WeakPolarHBondContact CA-SG 3.45Å; C126-C182 HydrophobicContact CB-CB 3.92Å; C126-C182 WeakPolarHBondContact CB-SG 3.15Å; C126-C182 VanDerWaalsContact SG-C 3.51Å; C126-C182 WeakPolarHBondContact SG-CB 3.36Å; C126-C182 CovalentContact SG-SG 2.03Å; C126-C182 PolarHBondContact SG-SG 2.68Å; C126-V183 PolarHBondContact N-O 3.14Å; C126-V183 PolarHBondContact SG-O 3.23Å; C126-D185 PolarHBondContact N-OD1 2.91Å |
| 127 | T | 91.1 | Very high | 83.3 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.6 | -49.3 | 171 | -53.8 | 0 | 0 | 0 | 0 | 111.7 | G125 R130 L131 D185 | G125-T127 PolarHBondContact O-N 3.1Å; G125-T127 VanDerWaalsContact O-N 3.17Å; T127-R130 PolarHBondContact O-N 2.99Å; T127-L131 PolarHBondContact O-N 3.42Å; T127-D185 WeakPolarHBondContact CB-OD1 3.41Å; T127-D185 PolarHBondContact N-OD1 3.02Å; T127-D185 PolarHBondContact OG1-OD1 3.44Å |
| 128 | E | 91.1 | Very high | 83.7 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 39% | 0.393 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.7 | -42.6 | 178.6 | 178.7 | 56.9 | -152.5 | 0 | 0 | 111.7 | M124 G125 R130 L131 Q132 | M124-E128 HydrophobicContact CG-CB 4.16Å; M124-E128 HydrophobicContact CG-CG 4.16Å; G125-E128 PolarHBondContact O-N 2.8Å; E128-R130 PolarHBondContact O-N 3.14Å; E128-L131 WeakPolarHBondContact O-CB 3.47Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.11Å; E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.87Å; E128-Q132 WeakPolarHBondContact OE1-CG 3.32Å; E128-Q132 PolarHBondContact OE1-NE2 3.05Å |
| 129 | A | 92 | Very high | 84.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -37.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | M124 G125 C133 Q178 L179 C182 | M124-A129 HydrophobicContact CG-CB 4.05Å; M124-A129 VanDerWaalsContact SD-CA 3.58Å; M124-A129 HydrophobicContact SD-CB 3.62Å; G125-A129 PolarHBondContact O-N 3.26Å; A129-C133 WeakPolarHBondContact O-CB 3.43Å; A129-C133 PolarHBondContact O-N 2.86Å; A129-Q178 HydrophobicContact CB-CB 4.32Å; A129-L179 HydrophobicContact CB-CD2 3.77Å; A129-L179 HydrophobicContact CB-CG 4.37Å; A129-C182 HydrophobicContact CB-CB 3.97Å |
| 130 | R | 92.2 | Very high | 85.7 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 48% | 0.479 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66 | -47.1 | 175.1 | -162.5 | -178.3 | 78.8 | -166.2 | -6.6 | 111.5 | C126 T127 E128 Q132 C133 E134 M143 L179 | C126-R130 WeakPolarHBondContact O-CB 3.04Å; C126-R130 PolarHBondContact O-N 3.27Å; T127-R130 PolarHBondContact O-N 2.99Å; E128-R130 PolarHBondContact O-N 3.14Å; R130-Q132 VanDerWaalsContact C-N 3.29Å; R130-Q132 PolarHBondContact O-N 2.79Å; R130-C133 PolarHBondContact O-N 3.25Å; R130-C133 VanDerWaalsContact O-N 3.16Å; R130-E134 HydrophobicContact CG-CG 4.49Å; R130-E134 WeakPolarHBondContact CG-OE1 3.48Å; R130-E134 IonicContact CZ-OE1 3.38Å; R130-E134 IonicContact NE-OE1 3.25Å; R130-E134 PolarHBondContact NE-OE1 3.4Å; R130-E134 WeakPolarHBondContact O-CG 3.26Å; R130-E134 PolarHBondContact O-N 2.71Å; R130-M143 HydrophobicContact CG-CE 4.43Å; R130-M143 HydrophobicContact CG-SD 4.12Å; R130-L179 HydrophobicContact CB-CD2 4.19Å |
| 131 | L | 93 | Very high | 87.3 | Confident | 89 Ų | 89 | 58.2 Ų | 58.2 | 47% | 0.466 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 177.1 | -176.9 | 66.5 | 0 | 0 | 0 | 111.5 | T127 E128 C133 E134 T135 | T127-L131 PolarHBondContact O-N 3.42Å; E128-L131 WeakPolarHBondContact O-CB 3.47Å; E128-L131 PolarHBondContact O-N 3.26Å; E128-L131 VanDerWaalsContact O-N 3.11Å; L131-C133 PolarHBondContact O-N 2.04Å; L131-E134 PolarHBondContact O-N 2.82Å; L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.1Å; L131-T135 PolarHBondContact O-N 3.29Å; L131-T135 VanDerWaalsContact O-N 3.13Å |
| 132 | Q | 91.9 | Very high | 89.5 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178.2 | -66.7 | -173.3 | 18.2 | 0 | 0 | 112.2 | E128 R130 T135 R175 Q178 | E128-Q132 WeakPolarHBondContact O-CG 3.39Å; E128-Q132 PolarHBondContact O-N 2.87Å; E128-Q132 WeakPolarHBondContact OE1-CG 3.32Å; E128-Q132 PolarHBondContact OE1-NE2 3.05Å; R130-Q132 VanDerWaalsContact C-N 3.29Å; R130-Q132 PolarHBondContact O-N 2.79Å; Q132-T135 PolarHBondContact O-N 3.39Å; Q132-T135 PolarHBondContact O-OG1 3.38Å; Q132-R175 WeakPolarHBondContact O-CD 3.33Å; Q132-R175 PolarHBondContact O-NH1 3.22Å; Q132-Q178 VanDerWaalsContact OE1-OE1 3.04Å |
| 133 | C | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 175.5 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | A129 R130 L131 T135 D136 C139 S140 M143 R175 L179 | A129-C133 WeakPolarHBondContact O-CB 3.43Å; A129-C133 PolarHBondContact O-N 2.86Å; R130-C133 PolarHBondContact O-N 3.25Å; R130-C133 VanDerWaalsContact O-N 3.16Å; L131-C133 PolarHBondContact O-N 2.04Å; C133-T135 VanDerWaalsContact C-N 3.27Å; C133-T135 PolarHBondContact O-N 3.46Å; C133-D136 PolarHBondContact O-N 3.32Å; C133-D136 VanDerWaalsContact O-N 3.13Å; C133-C139 HydrophobicContact CB-CB 4.11Å; C133-C139 WeakPolarHBondContact CB-SG 3.46Å; C133-C139 WeakPolarHBondContact O-CB 3.4Å; C133-C139 VanDerWaalsContact SG-C 3.52Å; C133-C139 WeakPolarHBondContact SG-CB 3.26Å; C133-C139 CovalentContact SG-SG 2.02Å; C133-C139 PolarHBondContact SG-SG 2.6Å; C133-S140 PolarHBondContact O-N 3.26Å; C133-M143 HydrophobicContact CB-CE 3.49Å; C133-M143 VanDerWaalsContact CB-CE 3.49Å; C133-M143 HydrophobicContact CB-SD 4.05Å; C133-M143 WeakPolarHBondContact SG-CE 3.45Å; C133-R175 HydrophobicContact CB-CB 4.44Å; C133-L179 HydrophobicContact CB-CD1 3.91Å |
| 134 | E | 94.8 | Very high | 92.8 | Very high | 88 Ų | 88 | 51.8 Ų | 51.8 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -32.2 | 174.6 | -74.3 | 170.3 | -168.7 | 0 | 0 | 112.3 | R130 L131 D136 M143 | R130-E134 HydrophobicContact CG-CG 4.49Å; R130-E134 WeakPolarHBondContact CG-OE1 3.48Å; R130-E134 IonicContact CZ-OE1 3.38Å; R130-E134 IonicContact NE-OE1 3.25Å; R130-E134 PolarHBondContact NE-OE1 3.4Å; R130-E134 WeakPolarHBondContact O-CG 3.26Å; R130-E134 PolarHBondContact O-N 2.71Å; L131-E134 PolarHBondContact O-N 2.82Å; E134-D136 PolarHBondContact O-N 2.83Å; E134-M143 HydrophobicContact CB-CE 4.49Å; E134-M143 HydrophobicContact CG-CE 3.72Å |
| 135 | T | 95.5 | Very high | 93.6 | Very high | 92 Ų | 92 | 52.2 Ų | 52.2 | 56% | 0.564 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -9.5 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 113.9 | L131 Q132 C133 R175 | L131-T135 VanDerWaalsContact O-CG2 3.26Å; L131-T135 WeakPolarHBondContact O-CG2 3.1Å; L131-T135 PolarHBondContact O-N 3.29Å; L131-T135 VanDerWaalsContact O-N 3.13Å; Q132-T135 PolarHBondContact O-N 3.39Å; Q132-T135 PolarHBondContact O-OG1 3.38Å; C133-T135 VanDerWaalsContact C-N 3.27Å; C133-T135 PolarHBondContact O-N 3.46Å; T135-R175 PolarHBondContact O-NH1 3.03Å; T135-R175 PolarHBondContact OG1-NH1 2.92Å |
| 136 | D | 94.3 | Very high | 93.8 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.219 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -103.9 | 115.9 | 171.4 | 172.7 | 9.5 | 0 | 0 | 0 | 109.3 | C133 E134 A138 C139 S140 | C133-D136 PolarHBondContact O-N 3.32Å; C133-D136 VanDerWaalsContact O-N 3.13Å; E134-D136 PolarHBondContact O-N 2.83Å; D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 PolarHBondContact OD1-N 2.76Å; D136-C139 HydrophobicContact CB-CB 3.74Å; D136-C139 PolarHBondContact O-N 2.83Å; D136-C139 VanDerWaalsContact O-N 3.14Å; D136-C139 WeakPolarHBondContact OD2-CB 3.2Å; D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.24Å; D136-S140 PolarHBondContact O-N 3.17Å |
| 137 | P | 94.9 | Very high | 93.8 | Very high | 108 Ų | 108 | 57.1 Ų | 57.1 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55 | -36.4 | 179.6 | -25.8 | 34.2 | 0 | 0 | 0 | 113.9 | S141 | P137-S141 WeakPolarHBondContact O-CB 3.42Å; P137-S141 PolarHBondContact O-N 2.69Å |
| 138 | A | 94.2 | Very high | 93.9 | Very high | 53 Ų | 53 | 59.5 Ų | 59.5 | 44% | 0.438 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -70.3 | -43.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D136 A142 | D136-A138 PolarHBondContact O-N 2.82Å; D136-A138 PolarHBondContact OD1-N 2.76Å; A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.05Å; A138-A142 PolarHBondContact O-N 3.37Å |
| 139 | C | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.4 | -43.5 | 178.2 | -160.9 | 0 | 0 | 0 | 0 | 111.5 | C133 D136 A142 M143 R175 A176 | C133-C139 HydrophobicContact CB-CB 4.11Å; C133-C139 WeakPolarHBondContact CB-SG 3.46Å; C133-C139 WeakPolarHBondContact O-CB 3.4Å; C133-C139 VanDerWaalsContact SG-C 3.52Å; C133-C139 WeakPolarHBondContact SG-CB 3.26Å; C133-C139 CovalentContact SG-SG 2.02Å; C133-C139 PolarHBondContact SG-SG 2.6Å; D136-C139 HydrophobicContact CB-CB 3.74Å; D136-C139 PolarHBondContact O-N 2.83Å; D136-C139 VanDerWaalsContact O-N 3.14Å; D136-C139 WeakPolarHBondContact OD2-CB 3.2Å; C139-A142 CarbonylContact O-C 3.34Å; C139-A142 WeakPolarHBondContact O-CB 3.48Å; C139-A142 PolarHBondContact O-N 2.86Å; C139-A142 VanDerWaalsContact O-N 3.16Å; C139-M143 PolarHBondContact O-N 3.43Å; C139-R175 HydrophobicContact CB-CB 4.34Å; C139-A176 PolarHBondContact SG-N 3.42Å; C139-A176 VanDerWaalsContact SG-N 3.43Å |
| 140 | S | 95.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 58.5 Ų | 58.5 | 34% | 0.336 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | C133 D136 A142 M143 A144 | C133-S140 PolarHBondContact O-N 3.26Å; D136-S140 VanDerWaalsContact O-CB 3.29Å; D136-S140 WeakPolarHBondContact O-CB 3.24Å; D136-S140 PolarHBondContact O-N 3.17Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.87Å; S140-M143 WeakPolarHBondContact O-CB 3.24Å; S140-M143 PolarHBondContact O-N 3.22Å; S140-A144 PolarHBondContact O-N 3.2Å |
| 141 | S | 96.7 | Very high | 94.1 | Very high | 66 Ų | 66 | 59 Ų | 59 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 112 | P137 M143 A144 D145 | P137-S141 WeakPolarHBondContact O-CB 3.42Å; P137-S141 PolarHBondContact O-N 2.69Å; S141-M143 VanDerWaalsContact C-N 3.32Å; S141-M143 PolarHBondContact O-N 2.94Å; S141-A144 PolarHBondContact O-N 3.23Å; S141-D145 PolarHBondContact O-N 3.46Å |
| 142 | A | 95.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.1 | -33 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | A138 C139 S140 D145 Y146 M166 M170 M173 | A138-A142 VanDerWaalsContact O-CB 3.32Å; A138-A142 WeakPolarHBondContact O-CB 3.05Å; A138-A142 PolarHBondContact O-N 3.37Å; C139-A142 CarbonylContact O-C 3.34Å; C139-A142 WeakPolarHBondContact O-CB 3.48Å; C139-A142 PolarHBondContact O-N 2.86Å; C139-A142 VanDerWaalsContact O-N 3.16Å; S140-A142 VanDerWaalsContact C-N 3.34Å; S140-A142 PolarHBondContact O-N 2.87Å; A142-D145 PolarHBondContact O-N 3Å; A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 3.17Å; A142-M166 HydrophobicContact CB-CE 3.76Å; A142-M166 WeakPolarHBondContact O-CE 3.01Å; A142-M170 HydrophobicContact CB-CG 4.21Å; A142-M173 HydrophobicContact CB-CE 4Å; A142-M173 HydrophobicContact CB-SD 3.82Å |
| 143 | M | 93.8 | Very high | 93.5 | Very high | 30 Ų | 30 | 57.5 Ų | 57.5 | 15% | 0.148 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 172.7 | -80.3 | -165.7 | -71 | 0 | 0 | 111.8 | R130 C133 E134 C139 S140 S141 Y146 L147 M170 L179 | R130-M143 HydrophobicContact CG-CE 4.43Å; R130-M143 HydrophobicContact CG-SD 4.12Å; C133-M143 HydrophobicContact CB-CE 3.49Å; C133-M143 VanDerWaalsContact CB-CE 3.49Å; C133-M143 HydrophobicContact CB-SD 4.05Å; C133-M143 WeakPolarHBondContact SG-CE 3.45Å; E134-M143 HydrophobicContact CB-CE 4.49Å; E134-M143 HydrophobicContact CG-CE 3.72Å; C139-M143 PolarHBondContact O-N 3.43Å; S140-M143 WeakPolarHBondContact O-CB 3.24Å; S140-M143 PolarHBondContact O-N 3.22Å; S141-M143 VanDerWaalsContact C-N 3.32Å; S141-M143 PolarHBondContact O-N 2.94Å; M143-Y146 WeakPolarHBondContact O-CB 3.26Å; M143-Y146 PolarHBondContact O-N 2.8Å; M143-L147 WeakPolarHBondContact O-CG 3.44Å; M143-L147 PolarHBondContact O-N 3.39Å; M143-L147 VanDerWaalsContact O-N 3.1Å; M143-M170 HydrophobicContact CG-CE 3.68Å; M143-L179 HydrophobicContact CG-CD1 4.09Å; M143-L179 HydrophobicContact SD-CD1 3.6Å; M143-L179 VanDerWaalsContact SD-CD1 3.6Å |
| 144 | A | 94.2 | Very high | 93 | Very high | 59 Ų | 59 | 60.8 Ų | 60.8 | 49% | 0.488 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S140 S141 Y146 L147 F148 | S140-A144 PolarHBondContact O-N 3.2Å; S141-A144 PolarHBondContact O-N 3.23Å; A144-Y146 VanDerWaalsContact C-N 3.27Å; A144-Y146 PolarHBondContact O-N 2.88Å; A144-L147 PolarHBondContact O-N 3.38Å; A144-F148 PolarHBondContact O-N 2.86Å; A144-F148 VanDerWaalsContact O-N 3.1Å |
| 145 | D | 95.6 | Very high | 92.4 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.1 | -40.6 | 175.4 | -69.1 | -18.1 | 0 | 0 | 0 | 111.5 | S141 A142 F148 H149 M166 K169 | S141-D145 PolarHBondContact O-N 3.46Å; A142-D145 PolarHBondContact O-N 3Å; D145-F148 PolarHBondContact O-N 2.94Å; D145-H149 WeakPolarHBondContact O-CB 3.31Å; D145-H149 PolarHBondContact O-CD2 2.85Å; D145-H149 PolarHBondContact O-N 3.06Å; D145-M166 HydrophobicContact CB-CE 3.86Å; D145-M166 HydrophobicContact CB-CG 4.29Å; D145-M166 HydrophobicContact CB-SD 3.49Å; D145-M166 WeakPolarHBondContact CB-SD 3.04Å; D145-K169 IonicContact OD2-NZ 3.08Å; D145-K169 PolarHBondContact OD2-NZ 3.08Å; D145-K169 VanDerWaalsContact OD2-NZ 3.08Å |
| 146 | Y | 93.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 177 | 170.6 | -96.9 | 0 | 0 | 0 | 112.1 | A142 M143 A144 F148 H149 C150 F154 I167 M170 M199 | A142-Y146 WeakPolarHBondContact O-CB 3.43Å; A142-Y146 PolarHBondContact O-N 3.17Å; M143-Y146 WeakPolarHBondContact O-CB 3.26Å; M143-Y146 PolarHBondContact O-N 2.8Å; A144-Y146 VanDerWaalsContact C-N 3.27Å; A144-Y146 PolarHBondContact O-N 2.88Å; Y146-F148 PolarHBondContact O-N 3.14Å; Y146-H149 PolarHBondContact O-N 2.77Å; Y146-C150 HydrophobicContact CD2-CB 4.12Å; Y146-C150 HydrophobicContact CE2-CB 3.91Å; Y146-C150 WeakPolarHBondContact O-CA 3.26Å; Y146-C150 WeakPolarHBondContact O-CB 3.45Å; Y146-C150 PolarHBondContact O-N 2.97Å; Y146-F154 HydrophobicContact CE1-CZ 4.24Å; Y146-I167 HydrophobicContact CD2-CG1 4.2Å; Y146-I167 HydrophobicContact CE2-CD1 4.42Å; Y146-I167 HydrophobicContact CE2-CG1 3.87Å; Y146-M170 WeakPolarHBondContact CB-SD 3.42Å; Y146-M170 HydrophobicContact CD2-SD 3.89Å; Y146-M170 HydrophobicContact CG-SD 3.74Å; Y146-M199 HydrophobicContact CE2-SD 4.34Å |
| 147 | L | 91.4 | Very high | 91.5 | Very high | 101 Ų | 101 | 59.8 Ų | 59.8 | 53% | 0.529 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -36.2 | 177.5 | -67.1 | 176.1 | 0 | 0 | 0 | 111.6 | M143 A144 R151 F154 | M143-L147 WeakPolarHBondContact O-CG 3.44Å; M143-L147 PolarHBondContact O-N 3.39Å; M143-L147 VanDerWaalsContact O-N 3.1Å; A144-L147 PolarHBondContact O-N 3.38Å; L147-R151 WeakPolarHBondContact O-CB 3.41Å; L147-R151 PolarHBondContact O-N 3.27Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.75Å |
| 148 | F | 93.7 | Very high | 91.2 | Very high | 126 Ų | 126 | 64.8 Ų | 64.8 | 55% | 0.553 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -70.7 | -52.9 | 178 | -179.4 | -102.5 | 0 | 0 | 0 | 113.1 | A144 D145 Y146 R151 | A144-F148 PolarHBondContact O-N 2.86Å; A144-F148 VanDerWaalsContact O-N 3.1Å; D145-F148 PolarHBondContact O-N 2.94Å; Y146-F148 PolarHBondContact O-N 3.14Å; F148-R151 WeakPolarHBondContact O-CG 3.46Å; F148-R151 PolarHBondContact O-NH1 2.78Å |
| 149 | H | 94.1 | Very high | 91 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 29% | 0.292 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -75.4 | -30.5 | -174.9 | -72.8 | -68.7 | 0 | 0 | 0 | 113.1 | D145 Y146 S162 M166 | D145-H149 WeakPolarHBondContact O-CB 3.31Å; D145-H149 PolarHBondContact O-CD2 2.85Å; D145-H149 PolarHBondContact O-N 3.06Å; Y146-H149 PolarHBondContact O-N 2.77Å; H149-S162 PolarHBondContact CE1-OG 3.3Å; H149-S162 PolarHBondContact ND1-OG 3.36Å; H149-M166 HydrophobicContact CB-CB 4.31Å |
| 150 | C | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 9.8 | -178.4 | -61.9 | 0 | 0 | 0 | 0 | 113.7 | Y146 K152 L153 C163 | Y146-C150 HydrophobicContact CD2-CB 4.12Å; Y146-C150 HydrophobicContact CE2-CB 3.91Å; Y146-C150 WeakPolarHBondContact O-CA 3.26Å; Y146-C150 WeakPolarHBondContact O-CB 3.45Å; Y146-C150 PolarHBondContact O-N 2.97Å; C150-K152 PolarHBondContact O-N 3.11Å; C150-L153 HydrophobicContact CB-CB 4.47Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.19Å; C150-C163 VanDerWaalsContact CA-SG 3.54Å; C150-C163 HydrophobicContact CB-CB 4.07Å; C150-C163 WeakPolarHBondContact CB-SG 3.47Å; C150-C163 WeakPolarHBondContact SG-CA 3.09Å; C150-C163 WeakPolarHBondContact SG-CB 3.49Å; C150-C163 CovalentContact SG-SG 2.04Å; C150-C163 PolarHBondContact SG-SG 2.93Å |
| 151 | R | 91 | Very high | 90.6 | Very high | 136 Ų | 136 | 67.4 Ų | 67.4 | 51% | 0.513 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -49.4 | -32.7 | 179.5 | 66.5 | -174.8 | -179.2 | -97.4 | 8.6 | 115.5 | L147 F148 L153 F154 | L147-R151 WeakPolarHBondContact O-CB 3.41Å; L147-R151 PolarHBondContact O-N 3.27Å; F148-R151 WeakPolarHBondContact O-CG 3.46Å; F148-R151 PolarHBondContact O-NH1 2.78Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.48Å; R151-F154 WeakPolarHBondContact O-CD2 3.48Å; R151-F154 PolarHBondContact O-N 3.13Å |
| 152 | K | 87.8 | Confident | 90.4 | Very high | 111 Ų | 111 | 66.8 Ų | 66.8 | 48% | 0.483 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -69.4 | -24.2 | 179.3 | -63.5 | -172.9 | 177.4 | -172.2 | 0 | 112.8 | C150 F154 G155 Q157 | C150-K152 PolarHBondContact O-N 3.11Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 2.99Å; K152-G155 PolarHBondContact O-N 3.08Å; K152-Q157 HydrophobicContact CB-CB 4.14Å; K152-Q157 WeakPolarHBondContact O-CB 3.26Å; K152-Q157 PolarHBondContact O-N 3.41Å |
| 153 | L | 86.4 | Confident | 90.3 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.6 | -41.6 | 175.9 | -177.6 | 72.6 | 0 | 0 | 0 | 111.3 | C150 R151 G155 G156 M199 L202 | C150-L153 HydrophobicContact CB-CB 4.47Å; C150-L153 WeakPolarHBondContact O-CB 3.48Å; C150-L153 PolarHBondContact O-N 3.19Å; R151-L153 VanDerWaalsContact C-N 3.26Å; R151-L153 PolarHBondContact O-N 3.48Å; L153-G155 PolarHBondContact O-N 3.43Å; L153-G156 PolarHBondContact O-N 3.2Å; L153-M199 HydrophobicContact CD2-CB 3.95Å; L153-M199 HydrophobicContact CD2-CG 4.38Å; L153-L202 HydrophobicContact CD1-CB 3.84Å; L153-L202 HydrophobicContact CD1-CD1 3.89Å; L153-L202 HydrophobicContact CD1-CG 4.44Å |
| 154 | F | 82.6 | Confident | 90.3 | Very high | 69 Ų | 69 | 69 Ų | 69 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -28.6 | -179.9 | -54.2 | -66.7 | 0 | 0 | 0 | 112.1 | Y146 L147 R151 K152 G156 I195 | Y146-F154 HydrophobicContact CE1-CZ 4.24Å; L147-F154 HydrophobicContact CD2-CE2 4.12Å; L147-F154 HydrophobicContact CD2-CZ 3.75Å; R151-F154 WeakPolarHBondContact O-CD2 3.48Å; R151-F154 PolarHBondContact O-N 3.13Å; K152-F154 VanDerWaalsContact C-N 3.31Å; K152-F154 PolarHBondContact O-N 2.99Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 2.93Å; F154-I195 HydrophobicContact CD1-CD1 3.99Å; F154-I195 HydrophobicContact CD1-CG1 3.75Å; F154-I195 HydrophobicContact CE1-CB 4.5Å; F154-I195 HydrophobicContact CE1-CD1 3.59Å; F154-I195 HydrophobicContact CE1-CG1 3.64Å; F154-I195 HydrophobicContact CE1-CG2 4.03Å |
| 155 | G | 82.9 | Confident | 90.2 | Very high | 59 Ų | 59 | 72.7 Ų | 72.7 | 61% | 0.608 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 11.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K152 L153 Q157 | K152-G155 PolarHBondContact O-N 3.08Å; L153-G155 PolarHBondContact O-N 3.43Å; G155-Q157 PolarHBondContact O-N 3.41Å |
| 156 | G | 82 | Confident | 90.2 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 13.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L153 F154 | L153-G156 PolarHBondContact O-N 3.2Å; F154-G156 VanDerWaalsContact C-N 3.3Å; F154-G156 PolarHBondContact O-N 2.93Å |
| 157 | Q | 87.5 | Confident | 90.1 | Very high | 104 Ų | 104 | 70 Ų | 70 | 49% | 0.486 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 150.3 | 179.3 | -62.4 | 173.1 | 50.4 | 0 | 0 | 111.9 | K152 G155 | K152-Q157 HydrophobicContact CB-CB 4.14Å; K152-Q157 WeakPolarHBondContact O-CB 3.26Å; K152-Q157 PolarHBondContact O-N 3.41Å; G155-Q157 PolarHBondContact O-N 3.41Å |
| 158 | R | 89.1 | Confident | 90.2 | Very high | 212 Ų | 212 | 68 Ų | 68 | 80% | 0.8 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 146.8 | 173.6 | -75.3 | -167.1 | 167 | 117.8 | -0 | 112.2 | S160 L202 | R158-S160 PolarHBondContact O-N 3.31Å; R158-L202 HydrophobicContact CG-CD2 4.47Å |
| 159 | C | 90.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 66.3 Ų | 66.3 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 130.6 | -175.8 | -58 | 0 | 0 | 0 | 0 | 111.2 | C163 R164 L202 C203 | C159-C163 HydrophobicContact CB-CB 4.42Å; C159-R164 HydrophobicContact CB-CG 4.02Å; C159-L202 PolarHBondContact N-O 3.19Å; C159-L202 PolarHBondContact SG-O 3.41Å; C159-C203 HydrophobicContact CB-CB 3.69Å; C159-C203 WeakPolarHBondContact CB-SG 3.46Å; C159-C203 WeakPolarHBondContact SG-CA 3.49Å; C159-C203 WeakPolarHBondContact SG-CB 3.42Å; C159-C203 PolarHBondContact SG-N 3.33Å; C159-C203 CovalentContact SG-SG 2.01Å; C159-C203 PolarHBondContact SG-SG 3.09Å |
| 160 | S | 91 | Very high | 90 | Very high | 48 Ų | 48 | 64.3 Ų | 64.3 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 158.5 | 170.5 | 70 | 0 | 0 | 0 | 0 | 110.1 | R158 S162 C163 R164 | R158-S160 PolarHBondContact O-N 3.31Å; S160-S162 PolarHBondContact O-N 2.9Å; S160-C163 WeakPolarHBondContact O-CB 3.44Å; S160-C163 PolarHBondContact O-N 3.46Å; S160-C163 WeakPolarHBondContact OG-CB 3.08Å; S160-C163 PolarHBondContact OG-N 3Å; S160-R164 PolarHBondContact O-N 3.13Å |
| 161 | E | 90.9 | Very high | 89.9 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 45% | 0.453 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.8 | -35.7 | 174.1 | -169.3 | 52.7 | -146.3 | 0 | 0 | 112.2 | R164 K165 | E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 IonicContact OE2-CZ 3.33Å; E161-R164 IonicContact OE2-NE 3.02Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.81Å; E161-R164 PolarHBondContact OE2-NH2 3.23Å; E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 2.04Å |
| 162 | S | 92.4 | Very high | 89.9 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 38% | 0.378 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 174.1 | -171.6 | 0 | 0 | 0 | 0 | 112.5 | H149 S160 M166 | H149-S162 PolarHBondContact CE1-OG 3.3Å; H149-S162 PolarHBondContact ND1-OG 3.36Å; S160-S162 PolarHBondContact O-N 2.9Å; S162-M166 PolarHBondContact O-N 3.13Å; S162-M166 VanDerWaalsContact O-N 3.11Å |
| 163 | C | 93.8 | Very high | 89.9 | Confident | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | C150 C159 S160 K165 M166 I167 | C150-C163 VanDerWaalsContact CA-SG 3.54Å; C150-C163 HydrophobicContact CB-CB 4.07Å; C150-C163 WeakPolarHBondContact CB-SG 3.47Å; C150-C163 WeakPolarHBondContact SG-CA 3.09Å; C150-C163 WeakPolarHBondContact SG-CB 3.49Å; C150-C163 CovalentContact SG-SG 2.04Å; C150-C163 PolarHBondContact SG-SG 2.93Å; C159-C163 HydrophobicContact CB-CB 4.42Å; S160-C163 WeakPolarHBondContact O-CB 3.44Å; S160-C163 PolarHBondContact O-N 3.46Å; S160-C163 WeakPolarHBondContact OG-CB 3.08Å; S160-C163 PolarHBondContact OG-N 3Å; C163-K165 PolarHBondContact O-N 2.03Å; C163-M166 WeakPolarHBondContact O-CB 3.3Å; C163-M166 PolarHBondContact O-N 3.29Å; C163-M166 VanDerWaalsContact O-N 3.1Å; C163-I167 WeakPolarHBondContact O-CG1 3.4Å; C163-I167 PolarHBondContact O-N 3.12Å |
| 164 | R | 92.3 | Very high | 89.8 | Confident | 74 Ų | 74 | 68.2 Ų | 68.2 | 28% | 0.279 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59 | -45.5 | 176.6 | -73 | -170.1 | -77 | -130.7 | 1.1 | 112.4 | C159 S160 E161 M166 I167 A168 | C159-R164 HydrophobicContact CB-CG 4.02Å; S160-R164 PolarHBondContact O-N 3.13Å; E161-R164 PolarHBondContact O-N 3.14Å; E161-R164 IonicContact OE2-CZ 3.33Å; E161-R164 IonicContact OE2-NE 3.02Å; E161-R164 PolarHBondContact OE2-NE 3Å; E161-R164 IonicContact OE2-NH2 2.81Å; E161-R164 PolarHBondContact OE2-NH2 3.23Å; R164-M166 VanDerWaalsContact C-N 3.3Å; R164-M166 PolarHBondContact O-N 3.14Å; R164-I167 PolarHBondContact O-N 2.77Å; R164-A168 PolarHBondContact O-N 3.21Å |
| 165 | K | 93.6 | Very high | 90 | Very high | 138 Ų | 138 | 69.4 Ų | 69.4 | 60% | 0.6 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 173.9 | -72.2 | 176.8 | -178.6 | -179.7 | 0 | 112.2 | E161 C163 A168 K169 | E161-K165 WeakPolarHBondContact O-CG 3.36Å; E161-K165 PolarHBondContact O-N 2.04Å; C163-K165 PolarHBondContact O-N 2.03Å; K165-A168 PolarHBondContact O-N 2.91Å; K165-K169 PolarHBondContact O-N 3.46Å |
| 166 | M | 94.4 | Very high | 90.3 | Very high | 11 Ų | 11 | 66.9 Ų | 66.9 | 5% | 0.054 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -41.7 | 177.9 | -168 | 59.2 | -129.1 | 0 | 0 | 112.2 | A142 D145 H149 S162 C163 R164 A168 K169 M170 | A142-M166 HydrophobicContact CB-CE 3.76Å; A142-M166 WeakPolarHBondContact O-CE 3.01Å; D145-M166 HydrophobicContact CB-CE 3.86Å; D145-M166 HydrophobicContact CB-CG 4.29Å; D145-M166 HydrophobicContact CB-SD 3.49Å; D145-M166 WeakPolarHBondContact CB-SD 3.04Å; H149-M166 HydrophobicContact CB-CB 4.31Å; S162-M166 PolarHBondContact O-N 3.13Å; S162-M166 VanDerWaalsContact O-N 3.11Å; C163-M166 WeakPolarHBondContact O-CB 3.3Å; C163-M166 PolarHBondContact O-N 3.29Å; C163-M166 VanDerWaalsContact O-N 3.1Å; R164-M166 VanDerWaalsContact C-N 3.3Å; R164-M166 PolarHBondContact O-N 3.14Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.17Å; M166-K169 HydrophobicContact CE-CB 4.18Å; M166-K169 HydrophobicContact CE-CD 3.68Å; M166-K169 HydrophobicContact CE-CG 4.03Å; M166-K169 WeakPolarHBondContact O-CB 3.3Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 3.94Å; M166-M170 HydrophobicContact CE-CG 3.63Å; M166-M170 PolarHBondContact O-N 2.76Å |
| 167 | I | 92.1 | Very high | 90.6 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 173.6 | -68.4 | 165.2 | 0 | 0 | 0 | 110.6 | Y146 C163 R164 K169 M170 R171 M199 C203 | Y146-I167 HydrophobicContact CD2-CG1 4.2Å; Y146-I167 HydrophobicContact CE2-CD1 4.42Å; Y146-I167 HydrophobicContact CE2-CG1 3.87Å; C163-I167 WeakPolarHBondContact O-CG1 3.4Å; C163-I167 PolarHBondContact O-N 3.12Å; R164-I167 PolarHBondContact O-N 2.77Å; I167-K169 PolarHBondContact O-N 2.85Å; I167-M170 PolarHBondContact O-N 2.7Å; I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3.24Å; I167-M199 HydrophobicContact CD1-CG 3.97Å; I167-M199 HydrophobicContact CD1-SD 4.04Å; I167-M199 HydrophobicContact CG1-SD 4.26Å; I167-M199 HydrophobicContact CG2-SD 4.5Å; I167-C203 HydrophobicContact CD1-CB 4.2Å; I167-C203 WeakPolarHBondContact CD1-SG 3.26Å |
| 168 | A | 92.3 | Very high | 90.6 | Very high | 59 Ų | 59 | 68.3 Ų | 68.3 | 49% | 0.488 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R164 K165 M166 R171 S172 | R164-A168 PolarHBondContact O-N 3.21Å; K165-A168 PolarHBondContact O-N 2.91Å; M166-A168 VanDerWaalsContact C-N 3.34Å; M166-A168 PolarHBondContact O-N 3.17Å; A168-R171 PolarHBondContact O-N 3.27Å; A168-S172 PolarHBondContact O-N 2.98Å |
| 169 | K | 93.1 | Very high | 90.6 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -48 | 173.8 | 176.2 | -179.1 | 167.7 | -162.8 | 0 | 111.1 | D145 K165 M166 I167 R171 S172 M173 | D145-K169 IonicContact OD2-NZ 3.08Å; D145-K169 PolarHBondContact OD2-NZ 3.08Å; D145-K169 VanDerWaalsContact OD2-NZ 3.08Å; K165-K169 PolarHBondContact O-N 3.46Å; M166-K169 HydrophobicContact CE-CB 4.18Å; M166-K169 HydrophobicContact CE-CD 3.68Å; M166-K169 HydrophobicContact CE-CG 4.03Å; M166-K169 WeakPolarHBondContact O-CB 3.3Å; M166-K169 PolarHBondContact O-N 3.1Å; M166-K169 HydrophobicContact SD-CD 3.94Å; I167-K169 PolarHBondContact O-N 2.85Å; K169-R171 PolarHBondContact O-N 2.87Å; K169-S172 WeakPolarHBondContact O-CB 3.39Å; K169-S172 PolarHBondContact O-N 3.43Å; K169-S172 VanDerWaalsContact O-N 3.15Å; K169-S172 PolarHBondContact O-OG 2.86Å; K169-M173 HydrophobicContact CG-CE 4.02Å |
| 170 | M | 91.9 | Very high | 90.3 | Very high | 21 Ų | 21 | 62.2 Ų | 62.2 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.2 | -72.4 | -166.8 | 79.9 | 0 | 0 | 112 | A142 M143 Y146 M166 I167 S172 M173 A176 L179 | A142-M170 HydrophobicContact CB-CG 4.21Å; M143-M170 HydrophobicContact CG-CE 3.68Å; Y146-M170 WeakPolarHBondContact CB-SD 3.42Å; Y146-M170 HydrophobicContact CD2-SD 3.89Å; Y146-M170 HydrophobicContact CG-SD 3.74Å; M166-M170 HydrophobicContact CE-CG 3.63Å; M166-M170 PolarHBondContact O-N 2.76Å; I167-M170 PolarHBondContact O-N 2.7Å; M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 VanDerWaalsContact O-N 3.1Å; M170-M173 PolarHBondContact O-N 3.11Å; M170-A176 HydrophobicContact CB-CB 4.09Å; M170-A176 HydrophobicContact CE-CB 3.98Å; M170-A176 WeakPolarHBondContact O-CB 3.24Å; M170-L179 HydrophobicContact CE-CD1 4.23Å |
| 171 | R | 90 | Very high | 90 | Very high | 117 Ų | 117 | 62.4 Ų | 62.4 | 44% | 0.442 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63 | -17.6 | 177.4 | -75.4 | 179.6 | 171.4 | 143.8 | 4.1 | 114.3 | I167 A168 K169 M173 Q177 D180 | I167-R171 WeakPolarHBondContact O-CG 3.49Å; I167-R171 PolarHBondContact O-N 3.24Å; A168-R171 PolarHBondContact O-N 3.27Å; K169-R171 PolarHBondContact O-N 2.87Å; R171-M173 VanDerWaalsContact C-N 3.31Å; R171-Q177 WeakPolarHBondContact O-CG 3.2Å; R171-Q177 PolarHBondContact O-NE2 2.92Å; R171-D180 IonicContact CZ-OD2 3.39Å; R171-D180 IonicContact NE-OD2 2.88Å; R171-D180 PolarHBondContact NE-OD2 2.93Å; R171-D180 IonicContact NH2-OD1 3.61Å; R171-D180 IonicContact NH2-OD2 3.01Å; R171-D180 PolarHBondContact NH2-OD2 2.97Å |
| 172 | S | 90.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 59% | 0.594 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -14.2 | 173.4 | 75.8 | 0 | 0 | 0 | 0 | 113.6 | A168 K169 M170 | A168-S172 PolarHBondContact O-N 2.98Å; K169-S172 WeakPolarHBondContact O-CB 3.39Å; K169-S172 PolarHBondContact O-N 3.43Å; K169-S172 VanDerWaalsContact O-N 3.15Å; K169-S172 PolarHBondContact O-OG 2.86Å; M170-S172 PolarHBondContact O-N 3.37Å; M170-S172 VanDerWaalsContact O-N 3.1Å |
| 173 | M | 88 | Confident | 89.8 | Confident | 34 Ų | 34 | 59 Ų | 59 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -98.7 | 127.8 | -177.7 | -60.1 | 171.9 | -175.9 | 0 | 0 | 111 | A142 K169 M170 R171 R175 A176 Q177 | A142-M173 HydrophobicContact CB-CE 4Å; A142-M173 HydrophobicContact CB-SD 3.82Å; K169-M173 HydrophobicContact CG-CE 4.02Å; M170-M173 PolarHBondContact O-N 3.11Å; R171-M173 VanDerWaalsContact C-N 3.31Å; M173-R175 PolarHBondContact O-N 3.37Å; M173-A176 HydrophobicContact CB-CB 4.06Å; M173-A176 PolarHBondContact O-N 3.41Å; M173-A176 VanDerWaalsContact O-N 3.11Å; M173-Q177 WeakPolarHBondContact O-CG 3.12Å; M173-Q177 PolarHBondContact O-N 3.34Å |
| 174 | P | 84.9 | Confident | 89.6 | Confident | 97 Ų | 97 | 59.6 Ų | 59.6 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -57 | -42.7 | -175.2 | -27.7 | 34.6 | 0 | 0 | 0 | 114.7 | A176 Q177 | P174-A176 VanDerWaalsContact C-N 3.35Å; P174-A176 PolarHBondContact O-N 3.31Å; P174-Q177 PolarHBondContact O-N 3.43Å |
| 175 | R | 86.9 | Confident | 89.4 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 36% | 0.355 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.4 | -31 | 179.3 | -63.4 | -162.8 | -174 | 170.5 | -0.2 | 112.8 | Q132 C133 T135 C139 M173 Q178 | Q132-R175 WeakPolarHBondContact O-CD 3.33Å; Q132-R175 PolarHBondContact O-NH1 3.22Å; C133-R175 HydrophobicContact CB-CB 4.44Å; T135-R175 PolarHBondContact O-NH1 3.03Å; T135-R175 PolarHBondContact OG1-NH1 2.92Å; C139-R175 HydrophobicContact CB-CB 4.34Å; M173-R175 PolarHBondContact O-N 3.37Å; R175-Q178 WeakPolarHBondContact O-CB 3.26Å; R175-Q178 PolarHBondContact O-N 3.45Å |
| 176 | A | 88.9 | Confident | 89 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.7 | -25.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | C139 M170 M173 P174 Q178 L179 D180 | C139-A176 PolarHBondContact SG-N 3.42Å; C139-A176 VanDerWaalsContact SG-N 3.43Å; M170-A176 HydrophobicContact CB-CB 4.09Å; M170-A176 HydrophobicContact CE-CB 3.98Å; M170-A176 WeakPolarHBondContact O-CB 3.24Å; M173-A176 HydrophobicContact CB-CB 4.06Å; M173-A176 PolarHBondContact O-N 3.41Å; M173-A176 VanDerWaalsContact O-N 3.11Å; P174-A176 VanDerWaalsContact C-N 3.35Å; P174-A176 PolarHBondContact O-N 3.31Å; A176-Q178 PolarHBondContact O-N 3.07Å; A176-L179 WeakPolarHBondContact O-CB 3.39Å; A176-L179 PolarHBondContact O-N 2.93Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-D180 PolarHBondContact O-N 3.43Å |
| 177 | Q | 88.6 | Confident | 88.6 | Confident | 107 Ų | 107 | 61 Ų | 61 | 50% | 0.5 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -34.1 | 170.9 | -72.5 | 177.6 | -3.2 | 0 | 0 | 111.9 | R171 M173 P174 L179 D180 A181 | R171-Q177 WeakPolarHBondContact O-CG 3.2Å; R171-Q177 PolarHBondContact O-NE2 2.92Å; M173-Q177 WeakPolarHBondContact O-CG 3.12Å; M173-Q177 PolarHBondContact O-N 3.34Å; P174-Q177 PolarHBondContact O-N 3.43Å; Q177-L179 VanDerWaalsContact C-N 3.28Å; Q177-L179 PolarHBondContact O-N 3.36Å; Q177-D180 PolarHBondContact O-N 3.05Å; Q177-D180 VanDerWaalsContact O-N 3.17Å; Q177-A181 PolarHBondContact O-N 3Å |
| 178 | Q | 87.1 | Confident | 88.3 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.1 | -33.3 | 176.4 | -61.8 | 174 | -1.6 | 0 | 0 | 111.9 | M124 A129 Q132 R175 A176 D180 A181 C182 | M124-Q178 HydrophobicContact SD-CB 4.06Å; M124-Q178 HydrophobicContact SD-CG 4.45Å; M124-Q178 PolarHBondContact SD-OE1 2.02Å; A129-Q178 HydrophobicContact CB-CB 4.32Å; Q132-Q178 VanDerWaalsContact OE1-OE1 3.04Å; R175-Q178 WeakPolarHBondContact O-CB 3.26Å; R175-Q178 PolarHBondContact O-N 3.45Å; A176-Q178 PolarHBondContact O-N 3.07Å; Q178-D180 VanDerWaalsContact C-N 3.32Å; Q178-D180 PolarHBondContact O-N 3.35Å; Q178-A181 PolarHBondContact O-N 3.21Å; Q178-C182 VanDerWaalsContact O-CB 3.26Å; Q178-C182 WeakPolarHBondContact O-CB 2.74Å; Q178-C182 PolarHBondContact O-N 3.02Å |
| 179 | L | 88.9 | Confident | 88 | Confident | 35 Ų | 35 | 67.6 Ų | 67.6 | 18% | 0.183 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.4 | -31.6 | 174.5 | -67 | 169 | 0 | 0 | 0 | 112.9 | A129 R130 C133 M143 M170 A176 Q177 C182 K196 | A129-L179 HydrophobicContact CB-CD2 3.77Å; A129-L179 HydrophobicContact CB-CG 4.37Å; R130-L179 HydrophobicContact CB-CD2 4.19Å; C133-L179 HydrophobicContact CB-CD1 3.91Å; M143-L179 HydrophobicContact CG-CD1 4.09Å; M143-L179 HydrophobicContact SD-CD1 3.6Å; M143-L179 VanDerWaalsContact SD-CD1 3.6Å; M170-L179 HydrophobicContact CE-CD1 4.23Å; A176-L179 WeakPolarHBondContact O-CB 3.39Å; A176-L179 PolarHBondContact O-N 2.93Å; A176-L179 VanDerWaalsContact O-N 3.13Å; Q177-L179 VanDerWaalsContact C-N 3.28Å; Q177-L179 PolarHBondContact O-N 3.36Å; L179-C182 PolarHBondContact O-SG 3.11Å; L179-K196 PolarHBondContact O-NZ 2.93Å |
| 180 | D | 85.2 | Confident | 87.6 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 33% | 0.326 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -73.2 | -35.9 | 175.4 | -156.7 | 21.9 | 0 | 0 | 0 | 110.6 | R171 A176 Q177 Q178 K196 M199 | R171-D180 IonicContact CZ-OD2 3.39Å; R171-D180 IonicContact NE-OD2 2.88Å; R171-D180 PolarHBondContact NE-OD2 2.93Å; R171-D180 IonicContact NH2-OD1 3.61Å; R171-D180 IonicContact NH2-OD2 3.01Å; R171-D180 PolarHBondContact NH2-OD2 2.97Å; A176-D180 PolarHBondContact O-N 3.43Å; Q177-D180 PolarHBondContact O-N 3.05Å; Q177-D180 VanDerWaalsContact O-N 3.17Å; Q178-D180 VanDerWaalsContact C-N 3.32Å; Q178-D180 PolarHBondContact O-N 3.35Å; D180-K196 WeakPolarHBondContact O-CE 3.23Å; D180-K196 PolarHBondContact O-NZ 3.27Å; D180-M199 VanDerWaalsContact OD1-CE 3.29Å; D180-M199 WeakPolarHBondContact OD1-CE 3.48Å |
| 181 | A | 84.4 | Confident | 87.4 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -89.2 | -18.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q177 Q178 | Q177-A181 PolarHBondContact O-N 3Å; Q178-A181 PolarHBondContact O-N 3.21Å |
| 182 | C | 89.2 | Confident | 87.4 | Confident | 8 Ų | 8 | 68.4 Ų | 68.4 | 5% | 0.054 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 158.4 | -173.1 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | M124 C126 A129 Q178 L179 K196 | M124-C182 CarbonylContact O-C 3.58Å; M124-C182 VanDerWaalsContact O-CA 3.26Å; M124-C182 WeakPolarHBondContact O-CA 3.47Å; M124-C182 VanDerWaalsContact O-CB 3.24Å; M124-C182 WeakPolarHBondContact O-CB 3.27Å; C126-C182 WeakPolarHBondContact CA-SG 3.45Å; C126-C182 HydrophobicContact CB-CB 3.92Å; C126-C182 WeakPolarHBondContact CB-SG 3.15Å; C126-C182 VanDerWaalsContact SG-C 3.51Å; C126-C182 WeakPolarHBondContact SG-CB 3.36Å; C126-C182 CovalentContact SG-SG 2.03Å; C126-C182 PolarHBondContact SG-SG 2.68Å; A129-C182 HydrophobicContact CB-CB 3.97Å; Q178-C182 VanDerWaalsContact O-CB 3.26Å; Q178-C182 WeakPolarHBondContact O-CB 2.74Å; Q178-C182 PolarHBondContact O-N 3.02Å; L179-C182 PolarHBondContact O-SG 3.11Å; C182-K196 PolarHBondContact O-NZ 3.36Å |
| 183 | V | 90.4 | Very high | 87.4 | Confident | 72 Ų | 72 | 68.1 Ų | 68.1 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -92.7 | 129 | 172.1 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | T123 M124 G125 C126 D185 | T123-V183 HydrophobicContact CG2-CG2 4.23Å; M124-V183 PolarHBondContact O-N 3.22Å; G125-V183 CarbonylContact C-O 3.49Å; G125-V183 WeakPolarHBondContact CA-O 3.32Å; C126-V183 PolarHBondContact N-O 3.14Å; C126-V183 PolarHBondContact SG-O 3.23Å; V183-D185 PolarHBondContact O-N 3.18Å |
| 184 | C | 89 | Confident | 87.5 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 9% | 0.088 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 121 | 177.9 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | R189 C192 E193 | C184-R189 HydrophobicContact CB-CG 4.02Å; C184-R189 WeakPolarHBondContact O-CD 3.48Å; C184-R189 WeakPolarHBondContact O-CG 3.42Å; C184-C192 VanDerWaalsContact CA-SG 3.54Å; C184-C192 HydrophobicContact CB-CB 3.62Å; C184-C192 WeakPolarHBondContact CB-SG 3.41Å; C184-C192 WeakPolarHBondContact SG-CB 3.46Å; C184-C192 CovalentContact SG-SG 2.04Å; C184-C192 PolarHBondContact SG-SG 3.46Å; C184-E193 HydrophobicContact CB-CG 3.72Å; C184-E193 PolarHBondContact SG-N 3.46Å |
| 185 | D | 88.3 | Confident | 87.7 | Confident | 60 Ų | 60 | 69.1 Ų | 69.1 | 32% | 0.321 | 37% | 0.368 | S | S | . | . | trans | -134.5 | 174.7 | -176.8 | 68.4 | -27.7 | 0 | 0 | 0 | 111.2 | G125 C126 T127 V183 | G125-D185 VanDerWaalsContact CA-CG 3.46Å; G125-D185 VanDerWaalsContact CA-OD2 3.31Å; G125-D185 WeakPolarHBondContact CA-OD2 3.37Å; C126-D185 PolarHBondContact N-OD1 2.91Å; T127-D185 WeakPolarHBondContact CB-OD1 3.41Å; T127-D185 PolarHBondContact N-OD1 3.02Å; T127-D185 PolarHBondContact OG1-OD1 3.44Å; V183-D185 PolarHBondContact O-N 3.18Å | ||
| 186 | G | 85.4 | Confident | 87.8 | Confident | 57 Ų | 57 | 67.3 Ų | 67.3 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 74.3 | -163.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | D188 R189 | G186-D188 VanDerWaalsContact C-N 3.33Å; G186-R189 WeakPolarHBondContact O-CB 3.29Å |
| 187 | T | 85.3 | Confident | 87.8 | Confident | 137 Ų | 137 | 72.2 Ų | 72.2 | 84% | 0.84 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -30.7 | -176.6 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | R189 | T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 3.49Å |
| 188 | D | 85.8 | Confident | 87.8 | Confident | 89 Ų | 89 | 67.5 Ų | 67.5 | 48% | 0.476 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.2 | -176.9 | -60.5 | -28.1 | 0 | 0 | 0 | 112.6 | G186 N190 I191 C192 | G186-D188 VanDerWaalsContact C-N 3.33Å; D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.44Å; D188-I191 PolarHBondContact O-N 2.99Å; D188-C192 PolarHBondContact O-N 3.25Å |
| 189 | R | 85.1 | Confident | 87.8 | Confident | 120 Ų | 120 | 65.8 Ų | 65.8 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -49.6 | -48.1 | -176.1 | -175.9 | 172.9 | 91.2 | 102.7 | -5.5 | 112.8 | C184 G186 T187 I191 C192 E193 | C184-R189 HydrophobicContact CB-CG 4.02Å; C184-R189 WeakPolarHBondContact O-CD 3.48Å; C184-R189 WeakPolarHBondContact O-CG 3.42Å; G186-R189 WeakPolarHBondContact O-CB 3.29Å; T187-R189 VanDerWaalsContact C-N 3.26Å; T187-R189 PolarHBondContact O-N 3.49Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.2Å; R189-C192 WeakPolarHBondContact O-CB 3.38Å; R189-C192 PolarHBondContact O-N 3.18Å; R189-E193 HydrophobicContact CG-CG 4.47Å; R189-E193 WeakPolarHBondContact CG-OE1 3.43Å; R189-E193 IonicContact CZ-OE1 3.41Å; R189-E193 IonicContact NE-OE1 3.49Å; R189-E193 IonicContact NH1-OE1 3.57Å; R189-E193 PolarHBondContact NH1-OE1 3.03Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 2.8Å |
| 190 | N | 85.5 | Confident | 87.8 | Confident | 115 Ų | 115 | 72 Ų | 72 | 62% | 0.615 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -39 | -178.6 | -63 | -24.1 | 0 | 0 | 0 | 112.2 | D188 Y194 | D188-N190 VanDerWaalsContact C-N 3.29Å; D188-N190 PolarHBondContact O-N 3.44Å; N190-Y194 WeakPolarHBondContact O-CB 3.38Å; N190-Y194 PolarHBondContact O-N 3.09Å |
| 191 | I | 88.1 | Confident | 87.9 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 53% | 0.533 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 178.3 | -60.9 | 171.4 | 0 | 0 | 0 | 109.5 | D188 R189 E193 Y194 I195 | D188-I191 PolarHBondContact O-N 2.99Å; R189-I191 VanDerWaalsContact C-N 3.33Å; R189-I191 PolarHBondContact O-N 3.2Å; I191-E193 PolarHBondContact O-N 3.37Å; I191-Y194 PolarHBondContact O-N 3.38Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.48Å; I191-I195 VanDerWaalsContact O-CG1 3.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.26Å |
| 192 | C | 90.4 | Very high | 88.1 | Confident | 26 Ų | 26 | 72.3 Ų | 72.3 | 18% | 0.176 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.1 | -49.4 | 174.9 | 174 | 0 | 0 | 0 | 0 | 111.6 | C184 D188 R189 Y194 I195 K196 | C184-C192 VanDerWaalsContact CA-SG 3.54Å; C184-C192 HydrophobicContact CB-CB 3.62Å; C184-C192 WeakPolarHBondContact CB-SG 3.41Å; C184-C192 WeakPolarHBondContact SG-CB 3.46Å; C184-C192 CovalentContact SG-SG 2.04Å; C184-C192 PolarHBondContact SG-SG 3.46Å; D188-C192 PolarHBondContact O-N 3.25Å; R189-C192 WeakPolarHBondContact O-CB 3.38Å; R189-C192 PolarHBondContact O-N 3.18Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.41Å; C192-I195 PolarHBondContact O-N 3.49Å; C192-K196 WeakPolarHBondContact O-CG 3.47Å; C192-K196 PolarHBondContact O-N 3.36Å |
| 193 | E | 90.3 | Very high | 88 | Confident | 79 Ų | 79 | 72.9 Ų | 72.9 | 37% | 0.369 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.1 | -43.2 | 179.3 | -73.6 | 175.9 | -175.1 | 0 | 0 | 111.4 | C184 R189 I191 I195 K196 L197 | C184-E193 HydrophobicContact CB-CG 3.72Å; C184-E193 PolarHBondContact SG-N 3.46Å; R189-E193 HydrophobicContact CG-CG 4.47Å; R189-E193 WeakPolarHBondContact CG-OE1 3.43Å; R189-E193 IonicContact CZ-OE1 3.41Å; R189-E193 IonicContact NE-OE1 3.49Å; R189-E193 IonicContact NH1-OE1 3.57Å; R189-E193 PolarHBondContact NH1-OE1 3.03Å; R189-E193 WeakPolarHBondContact O-CG 3.42Å; R189-E193 PolarHBondContact O-N 2.8Å; I191-E193 PolarHBondContact O-N 3.37Å; E193-I195 PolarHBondContact O-N 3.38Å; E193-K196 PolarHBondContact O-N 2.79Å; E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 PolarHBondContact O-N 3.22Å |
| 194 | Y | 89.9 | Confident | 87.7 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -44.6 | 175.2 | 176.8 | -97.1 | 0 | 0 | 0 | 112.3 | N190 I191 C192 L197 S198 | N190-Y194 WeakPolarHBondContact O-CB 3.38Å; N190-Y194 PolarHBondContact O-N 3.09Å; I191-Y194 PolarHBondContact O-N 3.38Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.41Å; Y194-L197 PolarHBondContact O-N 2.85Å; Y194-S198 WeakPolarHBondContact O-CB 3.39Å; Y194-S198 PolarHBondContact O-N 3.49Å; Y194-S198 PolarHBondContact O-OG 3.46Å |
| 195 | I | 88.8 | Confident | 86.5 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 21% | 0.205 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 179.1 | -67.2 | 164.3 | 0 | 0 | 0 | 110.6 | F154 I191 C192 E193 L197 S198 M199 | F154-I195 HydrophobicContact CD1-CD1 3.99Å; F154-I195 HydrophobicContact CD1-CG1 3.75Å; F154-I195 HydrophobicContact CE1-CB 4.5Å; F154-I195 HydrophobicContact CE1-CD1 3.59Å; F154-I195 HydrophobicContact CE1-CG1 3.64Å; F154-I195 HydrophobicContact CE1-CG2 4.03Å; I191-I195 HydrophobicContact CG2-CD1 3.74Å; I191-I195 HydrophobicContact CG2-CG1 4.42Å; I191-I195 WeakPolarHBondContact O-CD1 3.48Å; I191-I195 VanDerWaalsContact O-CG1 3.22Å; I191-I195 WeakPolarHBondContact O-CG1 3.39Å; I191-I195 PolarHBondContact O-N 3.26Å; C192-I195 PolarHBondContact O-N 3.49Å; E193-I195 PolarHBondContact O-N 3.38Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 3.36Å; I195-S198 PolarHBondContact O-N 3.33Å; I195-M199 VanDerWaalsContact O-CB 3.32Å; I195-M199 WeakPolarHBondContact O-CB 3.22Å; I195-M199 PolarHBondContact O-N 3.46Å |
| 196 | K | 89.2 | Confident | 85 | Confident | 56 Ų | 56 | 82 Ų | 82 | 24% | 0.243 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 179.5 | -68.1 | -171.2 | 79.7 | 144.9 | 0 | 111.3 | L179 D180 C182 C192 E193 K200 | L179-K196 PolarHBondContact O-NZ 2.93Å; D180-K196 WeakPolarHBondContact O-CE 3.23Å; D180-K196 PolarHBondContact O-NZ 3.27Å; C182-K196 PolarHBondContact O-NZ 3.36Å; C192-K196 WeakPolarHBondContact O-CG 3.47Å; C192-K196 PolarHBondContact O-N 3.36Å; E193-K196 PolarHBondContact O-N 2.79Å; K196-K200 WeakPolarHBondContact O-CB 3.34Å; K196-K200 PolarHBondContact O-N 2.03Å; K196-K200 VanDerWaalsContact O-N 3.1Å |
| 197 | L | 88.2 | Confident | 83.3 | Confident | 109 Ų | 109 | 81.8 Ų | 81.8 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.1 | -47.7 | 176.2 | -178.2 | 61.9 | 0 | 0 | 0 | 111.5 | E193 Y194 I195 M199 K200 T201 | E193-L197 WeakPolarHBondContact O-CB 3.39Å; E193-L197 PolarHBondContact O-N 3.22Å; Y194-L197 PolarHBondContact O-N 2.85Å; I195-L197 VanDerWaalsContact C-N 3.34Å; I195-L197 PolarHBondContact O-N 3.36Å; L197-M199 VanDerWaalsContact C-N 3.35Å; L197-M199 PolarHBondContact O-N 2.86Å; L197-K200 WeakPolarHBondContact O-CB 3.5Å; L197-K200 PolarHBondContact O-N 3.06Å; L197-K200 VanDerWaalsContact O-N 3.16Å; L197-T201 HydrophobicContact CD1-CG2 4.09Å; L197-T201 HydrophobicContact CG-CG2 4.49Å; L197-T201 WeakPolarHBondContact O-CG2 3.12Å; L197-T201 PolarHBondContact O-N 3.25Å; L197-T201 PolarHBondContact O-OG1 3.5Å; L197-T201 VanDerWaalsContact O-OG1 3.09Å |
| 198 | S | 89.3 | Confident | 81.4 | Confident | 9 Ų | 9 | 82.7 Ų | 82.7 | 6% | 0.063 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 178.8 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | Y194 I195 K200 T201 L202 | Y194-S198 WeakPolarHBondContact O-CB 3.39Å; Y194-S198 PolarHBondContact O-N 3.49Å; Y194-S198 PolarHBondContact O-OG 3.46Å; I195-S198 PolarHBondContact O-N 3.33Å; S198-K200 VanDerWaalsContact C-N 3.3Å; S198-K200 PolarHBondContact O-N 3.3Å; S198-T201 PolarHBondContact O-N 3.1Å; S198-T201 PolarHBondContact O-OG1 3.18Å; S198-L202 WeakPolarHBondContact O-CB 3.42Å; S198-L202 WeakPolarHBondContact O-CG 3.03Å; S198-L202 PolarHBondContact O-N 3.49Å |
| 199 | M | 87.9 | Confident | 79.6 | Confident | 27 Ų | 27 | 89.6 Ų | 89.6 | 13% | 0.133 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 176.6 | -170.2 | 173.7 | 67.7 | 0 | 0 | 111 | Y146 L153 I167 D180 I195 L197 C203 | Y146-M199 HydrophobicContact CE2-SD 4.34Å; L153-M199 HydrophobicContact CD2-CB 3.95Å; L153-M199 HydrophobicContact CD2-CG 4.38Å; I167-M199 HydrophobicContact CD1-CG 3.97Å; I167-M199 HydrophobicContact CD1-SD 4.04Å; I167-M199 HydrophobicContact CG1-SD 4.26Å; I167-M199 HydrophobicContact CG2-SD 4.5Å; D180-M199 VanDerWaalsContact OD1-CE 3.29Å; D180-M199 WeakPolarHBondContact OD1-CE 3.48Å; I195-M199 VanDerWaalsContact O-CB 3.32Å; I195-M199 WeakPolarHBondContact O-CB 3.22Å; I195-M199 PolarHBondContact O-N 3.46Å; L197-M199 VanDerWaalsContact C-N 3.35Å; L197-M199 PolarHBondContact O-N 2.86Å; M199-C203 WeakPolarHBondContact O-CB 3.45Å; M199-C203 PolarHBondContact O-N 3.29Å; M199-C203 VanDerWaalsContact O-N 3.11Å |
| 200 | K | 87.4 | Confident | 77.8 | Confident | 166 Ų | 166 | 94.2 Ų | 94.2 | 72% | 0.722 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.8 | -39.8 | 179 | -174.8 | 177.9 | 179.4 | 179.1 | 0 | 112.9 | K196 L197 S198 | K196-K200 WeakPolarHBondContact O-CB 3.34Å; K196-K200 PolarHBondContact O-N 2.03Å; K196-K200 VanDerWaalsContact O-N 3.1Å; L197-K200 WeakPolarHBondContact O-CB 3.5Å; L197-K200 PolarHBondContact O-N 3.06Å; L197-K200 VanDerWaalsContact O-N 3.16Å; S198-K200 VanDerWaalsContact C-N 3.3Å; S198-K200 PolarHBondContact O-N 3.3Å |
| 201 | T | 88.6 | Confident | 76.1 | Confident | 84 Ų | 84 | 92.5 Ų | 92.5 | 52% | 0.515 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -87.2 | -37.7 | -175.1 | 55.8 | 0 | 0 | 0 | 0 | 113 | L197 S198 | L197-T201 HydrophobicContact CD1-CG2 4.09Å; L197-T201 HydrophobicContact CG-CG2 4.49Å; L197-T201 WeakPolarHBondContact O-CG2 3.12Å; L197-T201 PolarHBondContact O-N 3.25Å; L197-T201 PolarHBondContact O-OG1 3.5Å; L197-T201 VanDerWaalsContact O-OG1 3.09Å; S198-T201 PolarHBondContact O-N 3.1Å; S198-T201 PolarHBondContact O-OG1 3.18Å |
| 202 | L | 89 | Confident | 74.4 | Confident | 36 Ų | 36 | 91.1 Ų | 91.1 | 19% | 0.188 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -93.7 | -21.6 | -172 | -59.5 | 174.6 | 0 | 0 | 0 | 113.4 | L153 R158 C159 S198 | L153-L202 HydrophobicContact CD1-CB 3.84Å; L153-L202 HydrophobicContact CD1-CD1 3.89Å; L153-L202 HydrophobicContact CD1-CG 4.44Å; R158-L202 HydrophobicContact CG-CD2 4.47Å; C159-L202 PolarHBondContact N-O 3.19Å; C159-L202 PolarHBondContact SG-O 3.41Å; S198-L202 WeakPolarHBondContact O-CB 3.42Å; S198-L202 WeakPolarHBondContact O-CG 3.03Å; S198-L202 PolarHBondContact O-N 3.49Å |
| 203 | C | 87 | Confident | 72.3 | Confident | 20 Ų | 20 | 94.8 Ų | 94.8 | 14% | 0.135 | 52% | 0.522 | C | S | . | . | S | Bend | trans | -101.4 | 1.8 | 174.6 | -54.6 | 0 | 0 | 0 | 0 | 113.8 | C159 I167 M199 E205 | C159-C203 HydrophobicContact CB-CB 3.69Å; C159-C203 WeakPolarHBondContact CB-SG 3.46Å; C159-C203 WeakPolarHBondContact SG-CA 3.49Å; C159-C203 WeakPolarHBondContact SG-CB 3.42Å; C159-C203 PolarHBondContact SG-N 3.33Å; C159-C203 CovalentContact SG-SG 2.01Å; C159-C203 PolarHBondContact SG-SG 3.09Å; I167-C203 HydrophobicContact CD1-CB 4.2Å; I167-C203 WeakPolarHBondContact CD1-SG 3.26Å; M199-C203 WeakPolarHBondContact O-CB 3.45Å; M199-C203 PolarHBondContact O-N 3.29Å; M199-C203 VanDerWaalsContact O-N 3.11Å; C203-E205 PolarHBondContact O-N 3.4Å |
| 204 | A | 82.5 | Confident | 70.5 | Confident | 59 Ų | 59 | 94.2 Ų | 94.2 | 49% | 0.488 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -53.2 | 137.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | S206 | A204-S206 PolarHBondContact O-N 3.28Š|
| 205 | E | 64.8 | Low | 68.4 | Low | 178 Ų | 178 | 98.5 Ų | 98.5 | 83% | 0.832 | 56% | 0.558 | S | S | * | * | trans | -56.3 | 115.7 | 176.1 | -76.4 | 179.7 | 159.3 | 0 | 0 | 108.5 | C203 G207 | C203-E205 PolarHBondContact O-N 3.4Å; E205-G207 PolarHBondContact O-N 3.45Å | ||
| 206 | S | 56 | Low | 66.4 | Low | 99 Ų | 99 | 100.2 Ų | 100.2 | 69% | 0.692 | 59% | 0.585 | S | S | * | * | trans | -71.5 | 64.8 | 165.7 | 48.8 | 0 | 0 | 0 | 0 | 108.4 | A204 | A204-S206 PolarHBondContact O-N 3.28Š| ||
| 207 | G | 50.2 | Low | 64.4 | Low | 53 Ų | 53 | 104.8 Ų | 104.8 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | trans | -89.6 | 121.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | E205 | E205-G207 PolarHBondContact O-N 3.45Š| ||
| 208 | D | 45.5 | Very low | 62.5 | Low | 155 Ų | 155 | 105.4 Ų | 105.4 | 83% | 0.829 | 63% | 0.626 | S | S | * | * | S | Bend | trans | 92.6 | 116.3 | 175.6 | -51 | -28.8 | 0 | 0 | 0 | 117 | ||
| 209 | R | 48.4 | Very low | 60.8 | Low | 234 Ų | 234 | 114 Ų | 114 | 88% | 0.883 | 67% | 0.665 | S | S | * | * | trans | 100.1 | 37 | 169.9 | -51.6 | -165.3 | 172.5 | 102.4 | 0.5 | 118.1 | A211 | R209-A211 PolarHBondContact O-N 3.38Š| ||
| 210 | F | 46.3 | Very low | 59 | Low | 217 Ų | 217 | 121.1 Ų | 121.1 | 95% | 0.952 | 70% | 0.698 | S | S | * | * | trans | -82.2 | 72.3 | 132.8 | -160.5 | -93.7 | 0 | 0 | 0 | 108.5 | ||||
| 211 | A | 49.5 | Very low | 57.4 | Low | 80 Ų | 80 | 119.9 Ų | 119.9 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | trans | -114.9 | 86.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 104.8 | R209 S213 | R209-A211 PolarHBondContact O-N 3.38Å; A211-S213 PolarHBondContact O-N 3.33Å | ||
| 212 | G | 52.7 | Low | 55.9 | Low | 74 Ų | 74 | 121.9 Ų | 121.9 | 76% | 0.763 | 71% | 0.712 | S | S | * | * | trans | -62.4 | 113.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 213 | S | 46.1 | Very low | 54.2 | Low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | -122.5 | 88.4 | 161.1 | 41.6 | 0 | 0 | 0 | 0 | 106.4 | A211 | A211-S213 PolarHBondContact O-N 3.33Š| ||
| 214 | G | 53.7 | Low | 52.5 | Low | 67 Ų | 67 | 136.3 Ų | 136.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -79.4 | 119.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 215 | F | 44.7 | Very low | 51.1 | Low | 202 Ų | 202 | 141.3 Ų | 141.3 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -157.5 | 113.7 | 156.7 | -70.8 | -73.3 | 0 | 0 | 0 | 102.3 | ||||
| 216 | G | 48.4 | Very low | 50.2 | Low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | 108.3 | 107.7 | 51.8 | 0 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 217 | D | 45.8 | Very low | 49.9 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -41.5 | 143.8 | -177.3 | -75 | -43.4 | 0 | 0 | 0 | 114.7 | ||||
| 218 | S | 49 | Very low | 49.9 | Very low | 121 Ų | 121 | 151.8 Ų | 151.8 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -153.5 | 89.4 | 146.1 | -61.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 219 | E | 53.4 | Low | 50.1 | Low | 190 Ų | 190 | 151.6 Ų | 151.6 | 89% | 0.888 | 84% | 0.836 | S | S | * | * | trans | -68.1 | 122.5 | 154.9 | -63.6 | -175.4 | 151.1 | 0 | 0 | 107.3 | ||||
| 220 | E | 50.9 | Low | 50.2 | Low | 177 Ų | 177 | 146.8 Ų | 146.8 | 83% | 0.827 | 83% | 0.833 | S | S | * | * | trans | -140.5 | 95.5 | 155.4 | -155.8 | 166.7 | -172 | 0 | 0 | 108.5 | ||||
| 221 | D | 53.8 | Low | 50.5 | Low | 140 Ų | 140 | 142.4 Ų | 142.4 | 75% | 0.749 | 83% | 0.826 | S | S | * | * | trans | -62.3 | 118.7 | 161.8 | -110.1 | -24.9 | 0 | 0 | 0 | 108.5 | ||||
| 222 | T | 55.3 | Low | 50.5 | Low | 126 Ų | 126 | 146.5 Ų | 146.5 | 77% | 0.773 | 84% | 0.837 | S | S | * | * | trans | -123.9 | 105.7 | 154.6 | 49.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 223 | K | 53.9 | Low | 50.4 | Low | 179 Ų | 179 | 151.7 Ų | 151.7 | 78% | 0.778 | 84% | 0.842 | S | S | * | * | trans | -71 | 148.7 | 170.4 | -66.1 | 174.9 | 180 | 166.8 | 0 | 110.4 | ||||
| 224 | E | 52.7 | Low | 50.7 | Low | 180 Ų | 180 | 155.4 Ų | 155.4 | 84% | 0.841 | 85% | 0.851 | S | S | * | * | trans | -51.7 | 144.9 | 162.6 | -65.9 | 165.8 | 143.2 | 0 | 0 | 111.4 | ||||
| 225 | D | 52.6 | Low | 50.5 | Low | 164 Ų | 164 | 162.8 Ų | 162.8 | 88% | 0.877 | 86% | 0.864 | S | S | * | * | trans | -179.8 | 141.9 | 133 | -84.5 | -28.7 | 0 | 0 | 0 | 111.9 | ||||
| 226 | D | 45.1 | Very low | 51 | Low | 246 Ų | 246 | 159.2 Ų | 159.2 | 100% | 1.316 | 86% | 0.862 | S | S | * | * | trans | 78.8 | 0 | 176.5 | -75.6 | -40.1 | 0 | 0 | 0 | 121.1 |
Retrieved 226 of 226 residues in 50.3 ms
(Link to these results)