| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 40.3 | Very low | 244 Ų | 244 | 170.5 Ų | 170.5 | 100% | 1.202 | 86% | 0.858 | S | S | * | * | 0 | 121.7 | 0 | -63.5 | 81.9 | 177.4 | 0 | 0 | 108.3 | |||||
| 2 | G | 38.7 | Very low | 40 | Very low | 80 Ų | 80 | 170.7 Ų | 170.7 | 83% | 0.825 | 86% | 0.862 | S | S | * | * | trans | -84.6 | 163.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 3 | K | 37.2 | Very low | 40.4 | Very low | 211 Ų | 211 | 164.9 Ų | 164.9 | 92% | 0.917 | 86% | 0.857 | S | S | * | * | trans | -106.9 | 113 | 161.2 | -77.8 | -162.2 | 175.5 | -178 | 0 | 108.8 | ||||
| 4 | L | 37.7 | Very low | 40 | Very low | 176 Ų | 176 | 160.7 Ų | 160.7 | 92% | 0.921 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 131.7 | 169.9 | -69.3 | 160.5 | 0 | 0 | 0 | 108.6 | ||
| 5 | R | 43.6 | Very low | 40.3 | Very low | 236 Ų | 236 | 155 Ų | 155 | 89% | 0.891 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -88 | 140.6 | 167 | -60.2 | -166.4 | -152.6 | -160.9 | 7.5 | 108.7 | G7 | R5-G7 PolarHBondContact O-N 3.5Š|
| 6 | P | 42.9 | Very low | 40 | Very low | 131 Ų | 131 | 156.3 Ų | 156.3 | 85% | 0.851 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 133.5 | 172.2 | -2.7 | 17.9 | 0 | 0 | 0 | 109.8 | ||
| 7 | G | 41 | Very low | 39.9 | Very low | 66 Ų | 66 | 155.3 Ų | 155.3 | 68% | 0.68 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 146 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R5 V9 | R5-G7 PolarHBondContact O-N 3.5Å; G7-V9 PolarHBondContact O-N 3.07Å |
| 8 | R | 40.7 | Very low | 40.2 | Very low | 230 Ų | 230 | 156.3 Ų | 156.3 | 87% | 0.868 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 119.6 | 171.8 | -179.3 | -174.7 | -64.3 | -173.7 | -1.1 | 109 | ||
| 9 | V | 48.7 | Very low | 40.7 | Very low | 103 Ų | 103 | 159.1 Ų | 159.1 | 62% | 0.624 | 84% | 0.838 | S | S | * | * | trans | -105.3 | 109.7 | 168.5 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | G7 W11 | G7-V9 PolarHBondContact O-N 3.07Å; V9-W11 HydrophobicContact CG1-CD2 4.34Å; V9-W11 HydrophobicContact CG1-CG 4.38Å; V9-W11 HydrophobicContact CG1-CZ2 4.1Å; V9-W11 VanDerWaalsContact CG1-NE1 3.25Å | ||
| 10 | E | 39.1 | Very low | 41.1 | Very low | 170 Ų | 170 | 157.4 Ų | 157.4 | 79% | 0.794 | 84% | 0.836 | S | S | * | * | trans | -76.2 | 123.3 | 166 | -86.3 | 168.6 | 161.3 | 0 | 0 | 108.6 | ||||
| 11 | W | 37.7 | Very low | 41.9 | Very low | 228 Ų | 228 | 154.9 Ų | 154.9 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -112.3 | 128.3 | 165 | -72.6 | 111 | 0 | 0 | 0 | 109.4 | V9 | V9-W11 HydrophobicContact CG1-CD2 4.34Å; V9-W11 HydrophobicContact CG1-CG 4.38Å; V9-W11 HydrophobicContact CG1-CZ2 4.1Å; V9-W11 VanDerWaalsContact CG1-NE1 3.25Å | ||
| 12 | L | 36.5 | Very low | 42.8 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -62.7 | 147.4 | 175.9 | -75.4 | 156.3 | 0 | 0 | 0 | 111.7 | ||||
| 13 | A | 45.2 | Very low | 43.5 | Very low | 96 Ų | 96 | 154.2 Ų | 154.2 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | -56.7 | 147 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 14 | S | 35.2 | Very low | 44.5 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -144 | 116.5 | 154.2 | -72.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 15 | G | 44.3 | Very low | 45.4 | Very low | 75 Ų | 75 | 145.6 Ų | 145.6 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | trans | -70.3 | 137.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 16 | H | 36.3 | Very low | 46.5 | Very low | 175 Ų | 175 | 139.1 Ų | 139.1 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -113 | 125.3 | 167.2 | -80.5 | -79.6 | 0 | 0 | 0 | 109.6 | ||||
| 17 | T | 37.7 | Very low | 47.6 | Very low | 140 Ų | 140 | 138.8 Ų | 138.8 | 86% | 0.859 | 73% | 0.727 | S | S | * | * | trans | -70.8 | 119.8 | 179.2 | -44.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 18 | E | 45.4 | Very low | 48.8 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | -65.2 | 131 | 176.7 | -71.3 | -82.5 | 141 | 0 | 0 | 112.6 | ||||
| 19 | R | 49.6 | Very low | 49.9 | Very low | 210 Ų | 210 | 135.2 Ų | 135.2 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | trans | -129.7 | 148.6 | 162.3 | -84.4 | -172.5 | -169.4 | 179.3 | 4.9 | 108.9 | H21 | R19-H21 PolarHBondContact O-CD2 3.29Å; R19-H21 PolarHBondContact O-N 3.38Å; R19-H21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | P | 48.6 | Very low | 50.8 | Low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 70% | 0.698 | S | S | * | * | trans | -74.9 | 109.5 | -150.2 | 28.2 | -33.9 | 0 | 0 | 0 | 113.5 | L22 | P20-L22 PolarHBondContact O-N 2.04Š| ||
| 21 | H | 57.7 | Low | 52 | Low | 105 Ų | 105 | 134.7 Ų | 134.7 | 49% | 0.486 | 69% | 0.689 | S | S | . | * | trans | -89.7 | 34.2 | -179.9 | -78.4 | -80.4 | 0 | 0 | 0 | 114.2 | R19 F23 Q24 N25 | R19-H21 PolarHBondContact O-CD2 3.29Å; R19-H21 PolarHBondContact O-N 3.38Å; R19-H21 VanDerWaalsContact O-N 3.16Å; H21-F23 PolarHBondContact O-N 2.78Å; H21-Q24 PolarHBondContact O-N 3.42Å; H21-N25 WeakPolarHBondContact O-CB 3.24Å; H21-N25 PolarHBondContact O-N 2.9Å; H21-N25 PolarHBondContact O-ND2 3.4Å | ||
| 22 | L | 55.4 | Low | 53.2 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 72% | 0.723 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -61.4 | -38.2 | -171.7 | -99.7 | 158 | 0 | 0 | 0 | 114 | P20 L26 | P20-L22 PolarHBondContact O-N 2.04Å; L22-L26 PolarHBondContact O-N 3.35Å |
| 23 | F | 53.8 | Low | 54.5 | Low | 173 Ų | 173 | 123.5 Ų | 123.5 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -81.1 | -36.3 | -178.2 | -113.7 | -94.6 | 0 | 0 | 0 | 114 | H21 L26 L27 | H21-F23 PolarHBondContact O-N 2.78Å; F23-L26 PolarHBondContact O-N 3.17Å; F23-L27 PolarHBondContact O-N 3.24Å |
| 24 | Q | 58.2 | Low | 55.2 | Low | 131 Ų | 131 | 125.5 Ų | 125.5 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.3 | -33.9 | 178 | -165.2 | 143.4 | -18.6 | 0 | 0 | 111.5 | H21 L28 | H21-Q24 PolarHBondContact O-N 3.42Å; Q24-L28 HydrophobicContact CG-CD1 4.4Å; Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.05Å; Q24-L28 PolarHBondContact O-N 3.1Å |
| 25 | N | 56.9 | Low | 56.4 | Low | 74 Ų | 74 | 124.9 Ų | 124.9 | 40% | 0.396 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.3 | -40.6 | 170.6 | -70.1 | -11.5 | 0 | 0 | 0 | 110.8 | H21 L27 L28 F29 | H21-N25 WeakPolarHBondContact O-CB 3.24Å; H21-N25 PolarHBondContact O-N 2.9Å; H21-N25 PolarHBondContact O-ND2 3.4Å; N25-L27 PolarHBondContact O-N 3.23Å; N25-L28 PolarHBondContact O-N 3.09Å; N25-F29 HydrophobicContact CB-CD2 4.25Å; N25-F29 HydrophobicContact CB-CE2 4.41Å; N25-F29 VanDerWaalsContact O-CB 3.29Å; N25-F29 WeakPolarHBondContact O-CB 3.39Å; N25-F29 WeakPolarHBondContact O-CD2 3.08Å; N25-F29 PolarHBondContact O-N 3.11Å |
| 26 | L | 64.9 | Low | 56.9 | Low | 101 Ų | 101 | 126.3 Ų | 126.3 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.1 | -40.4 | 179.4 | -152.4 | 82.7 | 0 | 0 | 0 | 112.8 | L22 F23 F29 L30 | L22-L26 PolarHBondContact O-N 3.35Å; F23-L26 PolarHBondContact O-N 3.17Å; L26-F29 PolarHBondContact O-N 3.44Å; L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 PolarHBondContact O-N 2.8Å |
| 27 | L | 67.1 | Low | 58 | Low | 123 Ų | 123 | 121.2 Ų | 121.2 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.7 | -39.5 | 175.3 | -104.9 | 139.9 | 0 | 0 | 0 | 112.5 | F23 N25 L30 W31 | F23-L27 PolarHBondContact O-N 3.24Å; N25-L27 PolarHBondContact O-N 3.23Å; L27-L30 PolarHBondContact O-N 2.97Å; L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.45Å; L27-W31 PolarHBondContact O-N 3.29Å |
| 28 | L | 65.6 | Low | 58.9 | Low | 86 Ų | 86 | 121.9 Ų | 121.9 | 45% | 0.45 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -68.9 | -36.6 | 173.5 | -71.4 | 170.2 | 0 | 0 | 0 | 112.1 | Q24 N25 W31 A32 | Q24-L28 HydrophobicContact CG-CD1 4.4Å; Q24-L28 WeakPolarHBondContact O-CB 3.44Å; Q24-L28 VanDerWaalsContact O-CG 3.28Å; Q24-L28 WeakPolarHBondContact O-CG 3.05Å; Q24-L28 PolarHBondContact O-N 3.1Å; N25-L28 PolarHBondContact O-N 3.09Å; L28-W31 HydrophobicContact CD2-CE3 3.92Å; L28-W31 HydrophobicContact CD2-CZ3 4.25Å; L28-W31 PolarHBondContact O-N 3.21Å; L28-A32 WeakPolarHBondContact O-CB 3.23Å; L28-A32 PolarHBondContact O-N 3.49Å |
| 29 | F | 63.8 | Low | 59.5 | Low | 136 Ų | 136 | 116.2 Ų | 116.2 | 60% | 0.596 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.3 | -42.6 | 173.3 | -89.7 | -69.2 | 0 | 0 | 0 | 111.2 | N25 L26 A32 L33 | N25-F29 HydrophobicContact CB-CD2 4.25Å; N25-F29 HydrophobicContact CB-CE2 4.41Å; N25-F29 VanDerWaalsContact O-CB 3.29Å; N25-F29 WeakPolarHBondContact O-CB 3.39Å; N25-F29 WeakPolarHBondContact O-CD2 3.08Å; N25-F29 PolarHBondContact O-N 3.11Å; L26-F29 PolarHBondContact O-N 3.44Å; F29-A32 PolarHBondContact O-N 2.89Å; F29-L33 WeakPolarHBondContact O-CB 3.48Å; F29-L33 WeakPolarHBondContact O-CG 3.5Å; F29-L33 PolarHBondContact O-N 3.1Å |
| 30 | L | 67.4 | Low | 60 | Low | 99 Ų | 99 | 111.6 Ų | 111.6 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.5 | -39.7 | 173.5 | -88.2 | 156.1 | 0 | 0 | 0 | 112.2 | L26 L27 L33 L34 | L26-L30 WeakPolarHBondContact O-CB 3.34Å; L26-L30 PolarHBondContact O-N 2.8Å; L27-L30 PolarHBondContact O-N 2.97Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.37Å; L30-L34 PolarHBondContact O-N 3.18Å |
| 31 | W | 65.5 | Low | 60.5 | Low | 162 Ų | 162 | 110.2 Ų | 110.2 | 61% | 0.614 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.3 | -38.5 | 173.7 | 179.2 | 56.9 | 0 | 0 | 0 | 112.5 | L27 L28 L34 N35 | L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.45Å; L27-W31 PolarHBondContact O-N 3.29Å; L28-W31 HydrophobicContact CD2-CE3 3.92Å; L28-W31 HydrophobicContact CD2-CZ3 4.25Å; L28-W31 PolarHBondContact O-N 3.21Å; W31-L34 PolarHBondContact O-N 3.36Å; W31-N35 PolarHBondContact NE1-ND2 3.1Å; W31-N35 WeakPolarHBondContact O-CB 3.36Å; W31-N35 PolarHBondContact O-N 3.29Å |
| 32 | A | 63.1 | Low | 60.6 | Low | 43 Ų | 43 | 108.8 Ų | 108.8 | 36% | 0.355 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.5 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L28 F29 N35 C36 | L28-A32 WeakPolarHBondContact O-CB 3.23Å; L28-A32 PolarHBondContact O-N 3.49Å; F29-A32 PolarHBondContact O-N 2.89Å; A32-N35 CarbonylContact O-C 3.6Å; A32-N35 PolarHBondContact O-N 2.81Å; A32-C36 WeakPolarHBondContact O-CA 3.38Å; A32-C36 WeakPolarHBondContact O-CB 3.47Å; A32-C36 PolarHBondContact O-N 3.04Å; A32-C36 PolarHBondContact O-SG 3.23Å; A32-C36 VanDerWaalsContact O-SG 3.35Å |
| 33 | L | 62.3 | Low | 61.1 | Low | 123 Ų | 123 | 105.6 Ų | 105.6 | 64% | 0.644 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.3 | -36.8 | 174.6 | -70.3 | 168.5 | 0 | 0 | 0 | 111.8 | F29 L30 | F29-L33 WeakPolarHBondContact O-CB 3.48Å; F29-L33 WeakPolarHBondContact O-CG 3.5Å; F29-L33 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.32Å |
| 34 | L | 61.4 | Low | 62.2 | Low | 138 Ų | 138 | 99.4 Ų | 99.4 | 72% | 0.723 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.5 | -38.4 | 173.6 | -125.3 | 83.1 | 0 | 0 | 0 | 112.3 | L30 W31 | L30-L34 WeakPolarHBondContact O-CB 3.37Å; L30-L34 PolarHBondContact O-N 3.18Å; W31-L34 PolarHBondContact O-N 3.36Å |
| 35 | N | 59.9 | Low | 63.5 | Low | 94 Ų | 94 | 98 Ų | 98 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -81 | -21.8 | 176.6 | -95 | -49.4 | 0 | 0 | 0 | 113.8 | W31 A32 G37 | W31-N35 PolarHBondContact NE1-ND2 3.1Å; W31-N35 WeakPolarHBondContact O-CB 3.36Å; W31-N35 PolarHBondContact O-N 3.29Å; A32-N35 CarbonylContact O-C 3.6Å; A32-N35 PolarHBondContact O-N 2.81Å; N35-G37 PolarHBondContact O-N 3.4Å |
| 36 | C | 55.1 | Low | 65.2 | Low | 104 Ų | 104 | 95 Ų | 95 | 70% | 0.703 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.6 | -15.4 | 176.7 | -91 | 0 | 0 | 0 | 0 | 113 | A32 | A32-C36 WeakPolarHBondContact O-CA 3.38Å; A32-C36 WeakPolarHBondContact O-CB 3.47Å; A32-C36 PolarHBondContact O-N 3.04Å; A32-C36 PolarHBondContact O-SG 3.23Å; A32-C36 VanDerWaalsContact O-SG 3.35Å |
| 37 | G | 58.1 | Low | 66.6 | Low | 69 Ų | 69 | 97.1 Ų | 97.1 | 71% | 0.711 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -8.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | N35 | N35-G37 PolarHBondContact O-N 3.4Š|
| 38 | L | 57.1 | Low | 68.1 | Low | 153 Ų | 153 | 94 Ų | 94 | 80% | 0.801 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 15.3 | -179.1 | -85 | 153.5 | 0 | 0 | 0 | 112.8 | V40 | L38-V40 PolarHBondContact O-N 2.94Š|
| 39 | G | 57.3 | Low | 69.6 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | trans | -73 | 94.9 | 164 | 0 | 0 | 0 | 0 | 0 | 108.6 | S41 | G39-S41 PolarHBondContact O-N 3.18Š| ||
| 40 | V | 60.9 | Low | 71.3 | Confident | 114 Ų | 114 | 90.5 Ų | 90.5 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | trans | -49.2 | 101.6 | 153 | 173.4 | 0 | 0 | 0 | 0 | 104.6 | L38 A42 | L38-V40 PolarHBondContact O-N 2.94Å; V40-A42 PolarHBondContact O-N 2.86Å | ||
| 41 | S | 59.6 | Low | 72.8 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 66% | 0.657 | 54% | 0.537 | S | S | * | . | trans | -53.7 | 121.5 | 169.6 | -79.9 | 0 | 0 | 0 | 0 | 104.7 | G39 Q43 | G39-S41 PolarHBondContact O-N 3.18Å; S41-Q43 PolarHBondContact O-N 3.04Å | ||
| 42 | A | 59.8 | Low | 74.3 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 63% | 0.628 | 53% | 0.528 | S | S | * | . | trans | -55.5 | 98.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 105 | V40 | V40-A42 PolarHBondContact O-N 2.86Š| ||
| 43 | Q | 65.8 | Low | 76 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 33% | 0.332 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 142.8 | 175.6 | -70 | 155.7 | 62.9 | 0 | 0 | 104.5 | S41 P76 G77 E78 | S41-Q43 PolarHBondContact O-N 3.04Å; Q43-P76 PolarHBondContact NE2-O 2.92Å; Q43-G77 PolarHBondContact N-O 2.97Å; Q43-E78 HydrophobicContact CB-CB 4.22Å; Q43-E78 HydrophobicContact CB-CG 3.2Å; Q43-E78 HydrophobicContact CG-CG 4.39Å; Q43-E78 WeakPolarHBondContact O-CA 3.37Å |
| 44 | G | 76 | Confident | 77.7 | Confident | 42 Ų | 42 | 85 Ų | 85 | 43% | 0.433 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 178 | -166 | 0 | 0 | 0 | 0 | 0 | 115.4 | G46 E78 E79 | G44-G46 PolarHBondContact O-N 3.42Å; G44-E78 WeakPolarHBondContact O-CB 3.35Å; G44-E79 PolarHBondContact O-N 2.63Å |
| 45 | P | 86.7 | Confident | 79.5 | Confident | 102 Ų | 102 | 82 Ų | 82 | 66% | 0.662 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 134.2 | 178.4 | 26.9 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 46 | G | 91.9 | Very high | 81.3 | Confident | 11 Ų | 11 | 88.6 Ų | 88.6 | 11% | 0.113 | 53% | 0.531 | C | S | . | . | trans | -55.4 | 153.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G44 E79 C81 | G44-G46 PolarHBondContact O-N 3.42Å; G46-E79 WeakPolarHBondContact CA-O 3.4Å; G46-E79 PolarHBondContact N-O 3.26Å; G46-C81 PolarHBondContact O-SG 2.9Å | ||
| 47 | E | 95.1 | Very high | 83.3 | Confident | 145 Ų | 145 | 84.5 Ų | 84.5 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 137 | -174 | -168.9 | 176.7 | -179.1 | 0 | 0 | 111.7 | L73 C81 | E47-L73 PolarHBondContact N-O 3.28Å; E47-L73 PolarHBondContact O-N 2.67Å; E47-C81 VanDerWaalsContact C-SG 3.57Å |
| 48 | W | 97.8 | Very high | 85.1 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 22% | 0.216 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 134.2 | 173.7 | -77.2 | 117 | 0 | 0 | 0 | 111.2 | R70 R71 C72 C81 W82 G83 | W48-R70 HydrophobicContact CD2-CG 4.14Å; W48-R70 HydrophobicContact CE3-CB 4.27Å; W48-R70 HydrophobicContact CE3-CG 3.51Å; W48-R70 HydrophobicContact CZ3-CG 3.84Å; W48-R71 VanDerWaalsContact CE3-C 3.45Å; W48-C72 HydrophobicContact CE3-CB 4.05Å; W48-C72 HydrophobicContact CH2-CB 4.1Å; W48-C72 HydrophobicContact CZ3-CB 3.72Å; W48-C81 HydrophobicContact CD2-CB 3.76Å; W48-C81 HydrophobicContact CE3-CB 4.32Å; W48-C81 HydrophobicContact CG-CB 4.26Å; W48-C81 HydrophobicContact CH2-CB 3.98Å; W48-C81 HydrophobicContact CZ2-CB 3.36Å; W48-C81 HydrophobicContact CZ3-CB 4.42Å; W48-W82 PolarHBondContact NE1-O 3.49Å; W48-G83 WeakPolarHBondContact CZ2-O 3.39Å |
| 49 | T | 98.1 | Very high | 86.8 | Confident | 35 Ų | 35 | 80 Ų | 80 | 22% | 0.215 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -61.2 | 157.4 | 161 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | R71 L73 | T49-R71 HydrophobicContact CG2-CB 3.98Å; T49-R71 WeakPolarHBondContact CG2-O 2.95Å; T49-R71 PolarHBondContact N-O 3.01Å; T49-R71 PolarHBondContact OG1-N 3.24Å; T49-R71 PolarHBondContact OG1-O 3.29Å; T49-L73 HydrophobicContact CG2-CD1 3.87Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.71Å |
| 50 | P | 98.1 | Very high | 88.5 | Confident | 114 Ų | 114 | 83 Ų | 83 | 74% | 0.74 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -52.4 | 149.8 | 163.5 | -24.5 | 34.4 | 0 | 0 | 0 | 111 | V52 | P50-V52 PolarHBondContact O-N 2.03Š|
| 51 | W | 98.5 | Very high | 90.2 | Very high | 79 Ų | 79 | 78.9 Ų | 78.9 | 30% | 0.299 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 135.2 | 171.8 | -72.8 | 107.4 | 0 | 0 | 0 | 110.4 | R68 S69 R70 E87 | W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.7Å; W51-R68 HydrophobicContact CZ3-CG 4.1Å; W51-S69 VanDerWaalsContact CE3-C 3.46Å; W51-R70 HydrophobicContact CD2-CB 4.15Å; W51-R70 HydrophobicContact CD2-CG 4.1Å; W51-R70 HydrophobicContact CE3-CB 3.8Å; W51-R70 HydrophobicContact CE3-CG 3.74Å; W51-R70 HydrophobicContact CH2-CG 3.71Å; W51-R70 VanDerWaalsContact CZ2-CD 3.47Å; W51-R70 HydrophobicContact CZ2-CG 4.07Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.46Å; W51-R70 HydrophobicContact CZ3-CB 4.09Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; W51-E87 HydrophobicContact CH2-CB 4.02Å; W51-E87 HydrophobicContact CZ3-CB 4.18Å |
| 52 | V | 98.3 | Very high | 91.8 | Very high | 71 Ų | 71 | 75 Ų | 75 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -67 | 160 | 164.9 | -56.5 | 0 | 0 | 0 | 0 | 110 | P50 R68 S69 | P50-V52 PolarHBondContact O-N 2.03Å; V52-R68 HydrophobicContact CG2-CB 4.5Å; V52-S69 WeakPolarHBondContact CG2-O 3.34Å; V52-S69 PolarHBondContact N-O 3.42Å |
| 53 | S | 98.4 | Very high | 93.4 | Very high | 104 Ų | 104 | 79.6 Ų | 79.6 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 146.8 | 170.1 | 55.9 | 0 | 0 | 0 | 0 | 110.8 | T55 | S53-T55 PolarHBondContact O-N 3.39Š|
| 54 | W | 98.5 | Very high | 94.8 | Very high | 57 Ų | 57 | 76.4 Ų | 76.4 | 22% | 0.216 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -53 | 136.5 | 171.1 | -68.3 | 101 | 0 | 0 | 0 | 111.4 | S66 V67 R68 E87 R89 | W54-S66 WeakPolarHBondContact CZ3-O 3.22Å; W54-V67 VanDerWaalsContact CE3-C 3.42Å; W54-R68 HydrophobicContact CD2-CB 3.95Å; W54-R68 HydrophobicContact CD2-CG 3.98Å; W54-R68 VanDerWaalsContact CE2-CD 3.49Å; W54-R68 HydrophobicContact CE3-CB 3.79Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.69Å; W54-R68 VanDerWaalsContact CZ2-CD 3.49Å; W54-R68 HydrophobicContact CZ2-CG 3.82Å; W54-R68 HydrophobicContact CZ3-CB 4.11Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; W54-E87 HydrophobicContact CH2-CB 4.04Å; W54-E87 HydrophobicContact CH2-CG 3.85Å; W54-E87 WeakPolarHBondContact CZ3-O 3.21Å; W54-R89 VanDerWaalsContact CD1-CZ 3.48Å; W54-R89 HydrophobicContact CD2-CG 4.23Å; W54-R89 HydrophobicContact CE3-CG 3.85Å; W54-R89 VanDerWaalsContact CG-CZ 3.45Å; W54-R89 HydrophobicContact CH2-CB 3.93Å; W54-R89 HydrophobicContact CH2-CG 3.87Å; W54-R89 HydrophobicContact CZ2-CB 4.47Å; W54-R89 HydrophobicContact CZ2-CG 4.26Å; W54-R89 HydrophobicContact CZ3-CB 4.08Å; W54-R89 HydrophobicContact CZ3-CG 3.65Å |
| 55 | T | 98.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 76.9 Ų | 76.9 | 47% | 0.472 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 163.4 | 169.5 | 62 | 0 | 0 | 0 | 0 | 110.4 | S53 V67 | S53-T55 PolarHBondContact O-N 3.39Å; T55-V67 WeakPolarHBondContact CG2-O 3Å; T55-V67 PolarHBondContact N-O 3.05Å; T55-V67 PolarHBondContact OG1-N 3.45Å; T55-V67 PolarHBondContact OG1-O 2.88Å |
| 56 | R | 97.6 | Very high | 96.4 | Very high | 231 Ų | 231 | 72.2 Ų | 72.2 | 87% | 0.872 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 150.2 | 163.5 | -174.3 | 178.3 | -75.4 | 179.6 | -3.4 | 109.3 | ||
| 57 | C | 97.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 73.5 Ų | 73.5 | 13% | 0.128 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 139.7 | 172.7 | -161.9 | 0 | 0 | 0 | 0 | 110.8 | S59 C91 L93 | C57-S59 PolarHBondContact O-N 2.93Å; C57-C91 WeakPolarHBondContact CA-SG 3.39Å; C57-C91 HydrophobicContact CB-CB 3.88Å; C57-C91 WeakPolarHBondContact CB-SG 3.46Å; C57-C91 WeakPolarHBondContact SG-CB 3.41Å; C57-C91 CovalentContact SG-SG 2.03Å; C57-C91 PolarHBondContact SG-SG 2.03Å; C57-L93 HydrophobicContact CB-CD1 3.79Å |
| 58 | S | 95.5 | Very high | 96.9 | Very high | 88 Ų | 88 | 69.5 Ų | 69.5 | 62% | 0.615 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -64.2 | -17.2 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 113.9 | V65 | S58-V65 WeakPolarHBondContact CB-O 3.35Å; S58-V65 PolarHBondContact N-O 2.91Å; S58-V65 PolarHBondContact OG-N 3.4Å; S58-V65 PolarHBondContact OG-O 2.97Å |
| 59 | S | 93.4 | Very high | 96.9 | Very high | 40 Ų | 40 | 68.8 Ų | 68.8 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -114.2 | 156.4 | 176.1 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | C57 C61 R63 L93 | C57-S59 PolarHBondContact O-N 2.93Å; S59-C61 WeakPolarHBondContact CB-O 3.47Å; S59-R63 PolarHBondContact OG-O 3.19Å; S59-L93 WeakPolarHBondContact O-CD1 3.45Å |
| 60 | S | 93.7 | Very high | 96.9 | Very high | 116 Ų | 116 | 69.4 Ų | 69.4 | 81% | 0.811 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -95.6 | -11.6 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 113.5 | ||
| 61 | C | 94.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 73.3 Ų | 73.3 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -150 | 165.9 | 175.6 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | S59 P94 C96 | S59-C61 WeakPolarHBondContact CB-O 3.47Å; C61-P94 CarbonylContact C-O 3.56Å; C61-P94 WeakPolarHBondContact CA-O 3.45Å; C61-P94 WeakPolarHBondContact CB-O 3.36Å; C61-C96 HydrophobicContact CB-CB 3.92Å; C61-C96 WeakPolarHBondContact CB-SG 2.98Å; C61-C96 WeakPolarHBondContact SG-CA 3.38Å; C61-C96 WeakPolarHBondContact SG-CB 3.39Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 3.5Å |
| 62 | G | 94.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | S | Bend | trans | 61.3 | -139.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L93 P94 | G62-L93 WeakPolarHBondContact O-CB 3.45Å; G62-L93 PolarHBondContact O-N 3.2Å; G62-P94 PolarHBondContact N-O 3.17Å |
| 63 | R | 94.3 | Very high | 96.7 | Very high | 173 Ų | 173 | 73.1 Ų | 73.1 | 65% | 0.653 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 135.4 | -177.8 | -173.9 | 179.6 | -65.2 | 174.4 | 2.2 | 111 | S59 | S59-R63 PolarHBondContact OG-O 3.19Å |
| 64 | G | 95 | Very high | 96.5 | Very high | 5 Ų | 5 | 75 Ų | 75 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | -166.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L90 C91 | G64-L90 WeakPolarHBondContact O-CA 3.35Å; G64-C91 PolarHBondContact N-O 3.39Å; G64-C91 PolarHBondContact O-N 3.21Å; G64-C91 PolarHBondContact O-SG 3.26Å; G64-C91 VanDerWaalsContact O-SG 3.42Å |
| 65 | V | 97.2 | Very high | 96.1 | Very high | 52 Ų | 52 | 77 Ų | 77 | 32% | 0.315 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.5 | 177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | S58 V67 Y88 R89 L90 C91 | S58-V65 WeakPolarHBondContact CB-O 3.35Å; S58-V65 PolarHBondContact N-O 2.91Å; S58-V65 PolarHBondContact OG-N 3.4Å; S58-V65 PolarHBondContact OG-O 2.97Å; V65-V67 HydrophobicContact CG1-CG2 4.37Å; V65-Y88 HydrophobicContact CG1-CD1 4.04Å; V65-R89 CarbonylContact C-O 3.52Å; V65-R89 WeakPolarHBondContact CA-O 3.29Å; V65-L90 HydrophobicContact CG2-CD2 4.25Å; V65-C91 PolarHBondContact N-SG 3.44Å; V65-C91 VanDerWaalsContact N-SG 3.39Å |
| 66 | S | 98.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 78.7 Ų | 78.7 | 3% | 0.028 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 145.5 | 165.7 | -52.9 | 0 | 0 | 0 | 0 | 109.2 | W54 R89 C91 | W54-S66 WeakPolarHBondContact CZ3-O 3.22Å; S66-R89 PolarHBondContact N-O 2.9Å; S66-R89 PolarHBondContact O-N 2.79Å; S66-C91 PolarHBondContact OG-SG 3.14Å |
| 67 | V | 98.6 | Very high | 94.9 | Very high | 38 Ų | 38 | 69.4 Ų | 69.4 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.6 | -178.1 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | W54 T55 V65 E87 Y88 | W54-V67 VanDerWaalsContact CE3-C 3.42Å; T55-V67 WeakPolarHBondContact CG2-O 3Å; T55-V67 PolarHBondContact N-O 3.05Å; T55-V67 PolarHBondContact OG1-N 3.45Å; T55-V67 PolarHBondContact OG1-O 2.88Å; V65-V67 HydrophobicContact CG1-CG2 4.37Å; V67-E87 WeakPolarHBondContact CA-O 3.41Å; V67-Y88 HydrophobicContact CB-CD1 4.44Å; V67-Y88 HydrophobicContact CB-CE1 4.46Å; V67-Y88 HydrophobicContact CG1-CD1 4.17Å; V67-Y88 HydrophobicContact CG1-CE1 3.88Å; V67-Y88 HydrophobicContact CG2-CD1 3.66Å; V67-Y88 HydrophobicContact CG2-CE1 3.73Å |
| 68 | R | 98.6 | Very high | 94.5 | Very high | 60 Ų | 60 | 70.8 Ų | 70.8 | 23% | 0.226 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 155.3 | 162.2 | 65.3 | 176.3 | -179.3 | -176 | -3.9 | 109.5 | W51 V52 W54 H86 E87 | W51-R68 HydrophobicContact CD2-CG 4.29Å; W51-R68 HydrophobicContact CE3-CB 4.36Å; W51-R68 HydrophobicContact CE3-CG 3.7Å; W51-R68 HydrophobicContact CZ3-CG 4.1Å; V52-R68 HydrophobicContact CG2-CB 4.5Å; W54-R68 HydrophobicContact CD2-CB 3.95Å; W54-R68 HydrophobicContact CD2-CG 3.98Å; W54-R68 VanDerWaalsContact CE2-CD 3.49Å; W54-R68 HydrophobicContact CE3-CB 3.79Å; W54-R68 HydrophobicContact CE3-CG 3.84Å; W54-R68 HydrophobicContact CG-CB 4.48Å; W54-R68 HydrophobicContact CH2-CG 3.69Å; W54-R68 VanDerWaalsContact CZ2-CD 3.49Å; W54-R68 HydrophobicContact CZ2-CG 3.82Å; W54-R68 HydrophobicContact CZ3-CB 4.11Å; W54-R68 HydrophobicContact CZ3-CG 3.69Å; R68-H86 WeakPolarHBondContact O-CA 3.44Å; R68-E87 HydrophobicContact CG-CB 3.87Å; R68-E87 IonicContact CZ-OE1 3.91Å; R68-E87 IonicContact CZ-OE2 3.09Å; R68-E87 PolarHBondContact N-O 3.42Å; R68-E87 IonicContact NE-OE1 2.78Å; R68-E87 IonicContact NE-OE2 2.63Å; R68-E87 PolarHBondContact NE-OE2 2.83Å; R68-E87 VanDerWaalsContact NH2-CD 3.32Å; R68-E87 IonicContact NH2-OE1 3.26Å; R68-E87 PolarHBondContact NH2-OE1 2.77Å; R68-E87 IonicContact NH2-OE2 3.88Å; R68-E87 PolarHBondContact NH2-OE2 3.03Å; R68-E87 PolarHBondContact O-N 2.82Å |
| 69 | S | 98.5 | Very high | 94.3 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 161.4 | -178.9 | 61.6 | 0 | 0 | 0 | 0 | 112 | W51 V52 S85 | W51-S69 VanDerWaalsContact CE3-C 3.46Å; V52-S69 WeakPolarHBondContact CG2-O 3.34Å; V52-S69 PolarHBondContact N-O 3.42Å; S69-S85 CarbonylContact C-O 3.59Å; S69-S85 VanDerWaalsContact CA-O 3.29Å; S69-S85 WeakPolarHBondContact CA-O 3.11Å |
| 70 | R | 98.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 72.9 Ų | 72.9 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | trans | -144.3 | 160.1 | 170.6 | 59.6 | 178 | 178.4 | 176.3 | 1 | 108.4 | W48 W51 D84 S85 | W48-R70 HydrophobicContact CD2-CG 4.14Å; W48-R70 HydrophobicContact CE3-CB 4.27Å; W48-R70 HydrophobicContact CE3-CG 3.51Å; W48-R70 HydrophobicContact CZ3-CG 3.84Å; W51-R70 HydrophobicContact CD2-CB 4.15Å; W51-R70 HydrophobicContact CD2-CG 4.1Å; W51-R70 HydrophobicContact CE3-CB 3.8Å; W51-R70 HydrophobicContact CE3-CG 3.74Å; W51-R70 HydrophobicContact CH2-CG 3.71Å; W51-R70 VanDerWaalsContact CZ2-CD 3.47Å; W51-R70 HydrophobicContact CZ2-CG 4.07Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.46Å; W51-R70 HydrophobicContact CZ3-CB 4.09Å; W51-R70 HydrophobicContact CZ3-CG 3.55Å; R70-D84 PolarHBondContact NE-O 2.95Å; R70-D84 PolarHBondContact NH2-O 2.97Å; R70-S85 PolarHBondContact N-O 2.93Å | ||
| 71 | R | 97.6 | Very high | 94.3 | Very high | 195 Ų | 195 | 68.1 Ų | 68.1 | 74% | 0.736 | 35% | 0.347 | S | S | * | . | trans | -112.7 | 145.4 | 179.1 | -63.1 | -178.5 | -177 | 169 | 1.3 | 109.8 | W48 T49 | W48-R71 VanDerWaalsContact CE3-C 3.45Å; T49-R71 HydrophobicContact CG2-CB 3.98Å; T49-R71 WeakPolarHBondContact CG2-O 2.95Å; T49-R71 PolarHBondContact N-O 3.01Å; T49-R71 PolarHBondContact OG1-N 3.24Å; T49-R71 PolarHBondContact OG1-O 3.29Å | ||
| 72 | C | 97 | Very high | 94.3 | Very high | 43 Ų | 43 | 77 Ų | 77 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 115.6 | 170.1 | -179.3 | 0 | 0 | 0 | 0 | 108 | W48 C81 | W48-C72 HydrophobicContact CE3-CB 4.05Å; W48-C72 HydrophobicContact CH2-CB 4.1Å; W48-C72 HydrophobicContact CZ3-CB 3.72Å; C72-C81 WeakPolarHBondContact CA-SG 3.5Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.38Å; C72-C81 WeakPolarHBondContact SG-CB 3.36Å; C72-C81 PolarHBondContact SG-N 2.86Å; C72-C81 CovalentContact SG-SG 2.03Å; C72-C81 PolarHBondContact SG-SG 2.98Å |
| 73 | L | 95.7 | Very high | 94.3 | Very high | 103 Ų | 103 | 79.2 Ų | 79.2 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.4 | 171 | -56.9 | -177.1 | 0 | 0 | 0 | 107.5 | E47 T49 | E47-L73 PolarHBondContact N-O 3.28Å; E47-L73 PolarHBondContact O-N 2.67Å; T49-L73 HydrophobicContact CG2-CD1 3.87Å; T49-L73 HydrophobicContact CG2-CD2 3.92Å; T49-L73 HydrophobicContact CG2-CG 3.71Å |
| 74 | R | 93.1 | Very high | 94.4 | Very high | 143 Ų | 143 | 76.9 Ų | 76.9 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | trans | -150.5 | 148.8 | 176.6 | 71 | 177.7 | -175.5 | 81.7 | 2.8 | 112.1 | E78 | R74-E78 WeakPolarHBondContact CA-OE2 3.32Å; R74-E78 HydrophobicContact CB-CB 4.03Å | ||
| 75 | L | 90.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 79 Ų | 79 | 52% | 0.518 | 41% | 0.414 | S | S | . | . | trans | -85.1 | 162.3 | 170.4 | -63.9 | 175.7 | 0 | 0 | 0 | 111.6 | G77 E78 | L75-G77 PolarHBondContact O-N 2.93Å; L75-E78 HydrophobicContact CB-CG 4.13Å; L75-E78 PolarHBondContact N-OE2 3.47Å; L75-E78 PolarHBondContact O-N 2.78Å; L75-E78 VanDerWaalsContact O-N 3.14Å | ||
| 76 | P | 87.4 | Confident | 94.6 | Very high | 113 Ų | 113 | 80.7 Ų | 80.7 | 73% | 0.734 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 118.4 | 169.6 | -21.7 | 33.9 | 0 | 0 | 0 | 111.1 | Q43 | Q43-P76 PolarHBondContact NE2-O 2.92Š|
| 77 | G | 84.4 | Confident | 94.6 | Very high | 36 Ų | 36 | 83.8 Ų | 83.8 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 99.4 | -3.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q43 L75 | Q43-G77 PolarHBondContact N-O 2.97Å; L75-G77 PolarHBondContact O-N 2.93Å |
| 78 | E | 89.6 | Confident | 94.6 | Very high | 48 Ų | 48 | 89.3 Ų | 89.3 | 22% | 0.224 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 147.2 | 167.7 | -75.6 | 178.4 | 178.1 | 0 | 0 | 112 | Q43 G44 R74 L75 | Q43-E78 HydrophobicContact CB-CB 4.22Å; Q43-E78 HydrophobicContact CB-CG 3.2Å; Q43-E78 HydrophobicContact CG-CG 4.39Å; Q43-E78 WeakPolarHBondContact O-CA 3.37Å; G44-E78 WeakPolarHBondContact O-CB 3.35Å; R74-E78 WeakPolarHBondContact CA-OE2 3.32Å; R74-E78 HydrophobicContact CB-CB 4.03Å; L75-E78 HydrophobicContact CB-CG 4.13Å; L75-E78 PolarHBondContact N-OE2 3.47Å; L75-E78 PolarHBondContact O-N 2.78Å; L75-E78 VanDerWaalsContact O-N 3.14Å |
| 79 | E | 90.6 | Very high | 94.6 | Very high | 100 Ų | 100 | 92.1 Ų | 92.1 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.2 | 175 | -69.3 | -63.7 | 152 | 0 | 0 | 111.1 | G44 G46 | G44-E79 PolarHBondContact O-N 2.63Å; G46-E79 WeakPolarHBondContact CA-O 3.4Å; G46-E79 PolarHBondContact N-O 3.26Å |
| 80 | P | 91.8 | Very high | 94.6 | Very high | 73 Ų | 73 | 96 Ų | 96 | 47% | 0.474 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 150.3 | 175.4 | 28.7 | -33.6 | 0 | 0 | 0 | 111.2 | W82 | P80-W82 PolarHBondContact O-N 3.45Š|
| 81 | C | 94.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 94.7 Ų | 94.7 | 11% | 0.108 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 134.8 | 174.7 | -53.5 | 0 | 0 | 0 | 0 | 110.6 | G46 E47 W48 C72 | G46-C81 PolarHBondContact O-SG 2.9Å; E47-C81 VanDerWaalsContact C-SG 3.57Å; W48-C81 HydrophobicContact CD2-CB 3.76Å; W48-C81 HydrophobicContact CE3-CB 4.32Å; W48-C81 HydrophobicContact CG-CB 4.26Å; W48-C81 HydrophobicContact CH2-CB 3.98Å; W48-C81 HydrophobicContact CZ2-CB 3.36Å; W48-C81 HydrophobicContact CZ3-CB 4.42Å; C72-C81 WeakPolarHBondContact CA-SG 3.5Å; C72-C81 HydrophobicContact CB-CB 3.72Å; C72-C81 WeakPolarHBondContact CB-SG 3.38Å; C72-C81 WeakPolarHBondContact SG-CB 3.36Å; C72-C81 PolarHBondContact SG-N 2.86Å; C72-C81 CovalentContact SG-SG 2.03Å; C72-C81 PolarHBondContact SG-SG 2.98Å |
| 82 | W | 94.2 | Very high | 94.4 | Very high | 214 Ų | 214 | 91.2 Ų | 91.2 | 81% | 0.811 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -81.1 | 136.1 | 176.2 | -66.3 | 82.6 | 0 | 0 | 0 | 111.1 | W48 P80 | W48-W82 PolarHBondContact NE1-O 3.49Å; P80-W82 PolarHBondContact O-N 3.45Å |
| 83 | G | 94.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 91.9 Ų | 91.9 | 59% | 0.588 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 101.1 | -177 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | W48 | W48-G83 WeakPolarHBondContact CZ2-O 3.39Š|
| 84 | D | 97.4 | Very high | 94.4 | Very high | 125 Ų | 125 | 91.9 Ų | 91.9 | 67% | 0.668 | 47% | 0.474 | S | S | * | . | trans | -81.1 | 143.8 | -171.8 | -60.5 | -49.7 | 0 | 0 | 0 | 112.8 | R70 H86 | R70-D84 PolarHBondContact NE-O 2.95Å; R70-D84 PolarHBondContact NH2-O 2.97Å; D84-H86 VanDerWaalsContact C-N 3.31Å; D84-H86 WeakPolarHBondContact CB-O 3.34Å | ||
| 85 | S | 97.8 | Very high | 94.6 | Very high | 50 Ų | 50 | 91.6 Ų | 91.6 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -82.3 | -11.8 | 172.3 | 55.8 | 0 | 0 | 0 | 0 | 113 | S69 R70 | S69-S85 CarbonylContact C-O 3.59Å; S69-S85 VanDerWaalsContact CA-O 3.29Å; S69-S85 WeakPolarHBondContact CA-O 3.11Å; R70-S85 PolarHBondContact N-O 2.93Å |
| 86 | H | 98.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 89.6 Ų | 89.6 | 40% | 0.398 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147.6 | -176.4 | -65.9 | 77.9 | 0 | 0 | 0 | 110.6 | R68 D84 Y88 | R68-H86 WeakPolarHBondContact O-CA 3.44Å; D84-H86 VanDerWaalsContact C-N 3.31Å; D84-H86 WeakPolarHBondContact CB-O 3.34Å; H86-Y88 HydrophobicContact CB-CE2 4Å |
| 87 | E | 98.5 | Very high | 95.2 | Very high | 70 Ų | 70 | 88.3 Ų | 88.3 | 33% | 0.327 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 146.5 | 172.9 | -165.8 | -175.1 | 148.9 | 0 | 0 | 109.8 | W51 W54 V67 R68 | W51-E87 HydrophobicContact CH2-CB 4.02Å; W51-E87 HydrophobicContact CZ3-CB 4.18Å; W54-E87 HydrophobicContact CH2-CB 4.04Å; W54-E87 HydrophobicContact CH2-CG 3.85Å; W54-E87 WeakPolarHBondContact CZ3-O 3.21Å; V67-E87 WeakPolarHBondContact CA-O 3.41Å; R68-E87 HydrophobicContact CG-CB 3.87Å; R68-E87 IonicContact CZ-OE1 3.91Å; R68-E87 IonicContact CZ-OE2 3.09Å; R68-E87 PolarHBondContact N-O 3.42Å; R68-E87 IonicContact NE-OE1 2.78Å; R68-E87 IonicContact NE-OE2 2.63Å; R68-E87 PolarHBondContact NE-OE2 2.83Å; R68-E87 VanDerWaalsContact NH2-CD 3.32Å; R68-E87 IonicContact NH2-OE1 3.26Å; R68-E87 PolarHBondContact NH2-OE1 2.77Å; R68-E87 IonicContact NH2-OE2 3.88Å; R68-E87 PolarHBondContact NH2-OE2 3.03Å; R68-E87 PolarHBondContact O-N 2.82Å |
| 88 | Y | 98.4 | Very high | 95.8 | Very high | 154 Ų | 154 | 93.3 Ų | 93.3 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.2 | -174.5 | -58 | -92.8 | 0 | 0 | 0 | 109.6 | V65 V67 H86 | V65-Y88 HydrophobicContact CG1-CD1 4.04Å; V67-Y88 HydrophobicContact CB-CD1 4.44Å; V67-Y88 HydrophobicContact CB-CE1 4.46Å; V67-Y88 HydrophobicContact CG1-CD1 4.17Å; V67-Y88 HydrophobicContact CG1-CE1 3.88Å; V67-Y88 HydrophobicContact CG2-CD1 3.66Å; V67-Y88 HydrophobicContact CG2-CE1 3.73Å; H86-Y88 HydrophobicContact CB-CE2 4Å |
| 89 | R | 98 | Very high | 95.9 | Very high | 119 Ų | 119 | 94.9 Ų | 94.9 | 45% | 0.449 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.5 | 169.9 | 70.7 | 179.6 | -174.6 | 178.3 | 1.5 | 111 | W54 V65 S66 | W54-R89 VanDerWaalsContact CD1-CZ 3.48Å; W54-R89 HydrophobicContact CD2-CG 4.23Å; W54-R89 HydrophobicContact CE3-CG 3.85Å; W54-R89 VanDerWaalsContact CG-CZ 3.45Å; W54-R89 HydrophobicContact CH2-CB 3.93Å; W54-R89 HydrophobicContact CH2-CG 3.87Å; W54-R89 HydrophobicContact CZ2-CB 4.47Å; W54-R89 HydrophobicContact CZ2-CG 4.26Å; W54-R89 HydrophobicContact CZ3-CB 4.08Å; W54-R89 HydrophobicContact CZ3-CG 3.65Å; V65-R89 CarbonylContact C-O 3.52Å; V65-R89 WeakPolarHBondContact CA-O 3.29Å; S66-R89 PolarHBondContact N-O 2.9Å; S66-R89 PolarHBondContact O-N 2.79Å |
| 90 | L | 97.8 | Very high | 96 | Very high | 124 Ų | 124 | 92.4 Ų | 92.4 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 139.1 | 168.1 | -63.5 | 175.9 | 0 | 0 | 0 | 109.7 | G64 V65 | G64-L90 WeakPolarHBondContact O-CA 3.35Å; V65-L90 HydrophobicContact CG2-CD2 4.25Å |
| 91 | C | 97 | Very high | 95.9 | Very high | 20 Ų | 20 | 94 Ų | 94 | 14% | 0.135 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.6 | 168.8 | 40 | 0 | 0 | 0 | 0 | 109 | C57 G64 V65 S66 | C57-C91 WeakPolarHBondContact CA-SG 3.39Å; C57-C91 HydrophobicContact CB-CB 3.88Å; C57-C91 WeakPolarHBondContact CB-SG 3.46Å; C57-C91 WeakPolarHBondContact SG-CB 3.41Å; C57-C91 CovalentContact SG-SG 2.03Å; C57-C91 PolarHBondContact SG-SG 2.03Å; G64-C91 PolarHBondContact N-O 3.39Å; G64-C91 PolarHBondContact O-N 3.21Å; G64-C91 PolarHBondContact O-SG 3.26Å; G64-C91 VanDerWaalsContact O-SG 3.42Å; V65-C91 PolarHBondContact N-SG 3.44Å; V65-C91 VanDerWaalsContact N-SG 3.39Å; S66-C91 PolarHBondContact OG-SG 3.14Å |
| 92 | Q | 96.3 | Very high | 95.6 | Very high | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.4 | 178.1 | -166.6 | 71.8 | 37.2 | 0 | 0 | 108.2 | ||
| 93 | L | 95.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 93.2 Ų | 93.2 | 30% | 0.298 | 54% | 0.537 | S | S | . | . | trans | -110.4 | 170.4 | 177.7 | -70.8 | 157.6 | 0 | 0 | 0 | 109.1 | C57 S59 G62 | C57-L93 HydrophobicContact CB-CD1 3.79Å; S59-L93 WeakPolarHBondContact O-CD1 3.45Å; G62-L93 WeakPolarHBondContact O-CB 3.45Å; G62-L93 PolarHBondContact O-N 3.2Å | ||
| 94 | P | 96.9 | Very high | 95.2 | Very high | 103 Ų | 103 | 96 Ų | 96 | 67% | 0.669 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -52.3 | 148.7 | 170.5 | -26.2 | 35.8 | 0 | 0 | 0 | 111.7 | C61 G62 | C61-P94 CarbonylContact C-O 3.56Å; C61-P94 WeakPolarHBondContact CA-O 3.45Å; C61-P94 WeakPolarHBondContact CB-O 3.36Å; G62-P94 PolarHBondContact N-O 3.17Å |
| 95 | D | 95.8 | Very high | 95 | Very high | 138 Ų | 138 | 93.1 Ų | 93.1 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 148.6 | -178.4 | -68 | -39.8 | 0 | 0 | 0 | 112.2 | ||
| 96 | C | 95.2 | Very high | 94.8 | Very high | 57 Ų | 57 | 95.2 Ų | 95.2 | 39% | 0.385 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 148.5 | 178.2 | -65.9 | 0 | 0 | 0 | 0 | 111 | C61 A100 | C61-C96 HydrophobicContact CB-CB 3.92Å; C61-C96 WeakPolarHBondContact CB-SG 2.98Å; C61-C96 WeakPolarHBondContact SG-CA 3.38Å; C61-C96 WeakPolarHBondContact SG-CB 3.39Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 3.5Å; C96-A100 HydrophobicContact CB-CB 3.8Å |
| 97 | P | 96.3 | Very high | 94.6 | Very high | 86 Ų | 86 | 95.5 Ų | 95.5 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 152.4 | 177.4 | 25.4 | -33.6 | 0 | 0 | 0 | 111 | G99 A100 | P97-G99 PolarHBondContact O-N 3.33Å; P97-A100 HydrophobicContact CG-CB 4.32Å; P97-A100 VanDerWaalsContact O-CB 3.24Å; P97-A100 WeakPolarHBondContact O-CB 3.39Å; P97-A100 PolarHBondContact O-N 3.34Å |
| 98 | P | 95.6 | Very high | 94.4 | Very high | 140 Ų | 140 | 93.5 Ų | 93.5 | 91% | 0.909 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 135.2 | 175.2 | -23.4 | 32.9 | 0 | 0 | 0 | 111.3 | A100 | P98-A100 VanDerWaalsContact C-N 3.3Å; P98-A100 PolarHBondContact O-N 2.74Å |
| 99 | G | 92.2 | Very high | 94.3 | Very high | 81 Ų | 81 | 88.3 Ų | 88.3 | 84% | 0.835 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 3.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | P97 V101 | P97-G99 PolarHBondContact O-N 3.33Å; G99-V101 PolarHBondContact O-N 2.87Å |
| 100 | A | 91.7 | Very high | 94.2 | Very high | 49 Ų | 49 | 87.7 Ų | 87.7 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 126.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | C96 P97 P98 | C96-A100 HydrophobicContact CB-CB 3.8Å; P97-A100 HydrophobicContact CG-CB 4.32Å; P97-A100 VanDerWaalsContact O-CB 3.24Å; P97-A100 WeakPolarHBondContact O-CB 3.39Å; P97-A100 PolarHBondContact O-N 3.34Å; P98-A100 VanDerWaalsContact C-N 3.3Å; P98-A100 PolarHBondContact O-N 2.74Å |
| 101 | V | 90.8 | Very high | 94.1 | Very high | 105 Ų | 105 | 88 Ų | 88 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -77.1 | 126.9 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | G99 D105 | G99-V101 PolarHBondContact O-N 2.87Å; V101-D105 HydrophobicContact CG1-CB 3.93Å |
| 102 | P | 89.1 | Confident | 94 | Very high | 79 Ų | 79 | 90.1 Ų | 90.1 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 145.9 | 177.9 | -15.2 | 27 | 0 | 0 | 0 | 111.2 | R104 D105 L106 | P102-R104 PolarHBondContact O-N 2.78Å; P102-D105 WeakPolarHBondContact CB-OD2 3.4Å; P102-D105 WeakPolarHBondContact CD-OD2 3.15Å; P102-D105 VanDerWaalsContact CG-OD2 3.22Å; P102-D105 WeakPolarHBondContact CG-OD2 3.13Å; P102-D105 WeakPolarHBondContact O-CB 3.03Å; P102-D105 PolarHBondContact O-N 2.91Å; P102-D105 VanDerWaalsContact O-N 3.1Å; P102-L106 PolarHBondContact O-N 3.46Å |
| 103 | F | 88.9 | Confident | 93.8 | Very high | 135 Ų | 135 | 86.7 Ų | 86.7 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -35.1 | -174.4 | -178.5 | -111.8 | 0 | 0 | 0 | 113.2 | D105 L106 Q107 | F103-D105 PolarHBondContact O-N 3.36Å; F103-L106 PolarHBondContact O-N 3.35Å; F103-Q107 HydrophobicContact CD1-CG 4.18Å; F103-Q107 HydrophobicContact CE1-CG 3.78Å; F103-Q107 VanDerWaalsContact CE1-NE2 3.34Å; F103-Q107 HydrophobicContact CE2-CG 4.18Å; F103-Q107 HydrophobicContact CZ-CG 3.78Å; F103-Q107 WeakPolarHBondContact O-CG 3.5Å; F103-Q107 PolarHBondContact O-N 3.41Å |
| 104 | R | 90.8 | Very high | 93.7 | Very high | 115 Ų | 115 | 91 Ų | 91 | 43% | 0.434 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 178.4 | -60.6 | -174.3 | 73.5 | -162.7 | 1.8 | 111.8 | P102 L106 Q107 C108 P127 F128 H129 | P102-R104 PolarHBondContact O-N 2.78Å; R104-L106 VanDerWaalsContact C-N 3.33Å; R104-Q107 PolarHBondContact O-N 2.81Å; R104-C108 PolarHBondContact O-N 2.85Å; R104-C108 PolarHBondContact O-SG 3.04Å; R104-C108 VanDerWaalsContact O-SG 3.42Å; R104-P127 HydrophobicContact CB-CB 4.02Å; R104-P127 HydrophobicContact CB-CG 3.92Å; R104-F128 PolarHBondContact NH1-O 3.05Å; R104-F128 PolarHBondContact NH2-O 3.5Å; R104-H129 PolarHBondContact NH1-ND1 3.41Å |
| 105 | D | 93.7 | Very high | 93.5 | Very high | 65 Ų | 65 | 89.9 Ų | 89.9 | 35% | 0.348 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.2 | -61.9 | -84.8 | 0 | 0 | 0 | 111.2 | V101 P102 F103 C108 A109 P127 | V101-D105 HydrophobicContact CG1-CB 3.93Å; P102-D105 WeakPolarHBondContact CB-OD2 3.4Å; P102-D105 WeakPolarHBondContact CD-OD2 3.15Å; P102-D105 VanDerWaalsContact CG-OD2 3.22Å; P102-D105 WeakPolarHBondContact CG-OD2 3.13Å; P102-D105 WeakPolarHBondContact O-CB 3.03Å; P102-D105 PolarHBondContact O-N 2.91Å; P102-D105 VanDerWaalsContact O-N 3.1Å; F103-D105 PolarHBondContact O-N 3.36Å; D105-C108 PolarHBondContact O-N 2.86Å; D105-A109 WeakPolarHBondContact O-CB 3.14Å; D105-A109 PolarHBondContact O-N 3.5Å; D105-P127 HydrophobicContact CB-CG 4.39Å; D105-P127 WeakPolarHBondContact OD1-CD 3.45Å; D105-P127 WeakPolarHBondContact OD1-CG 3.49Å |
| 106 | L | 92.6 | Very high | 93.2 | Very high | 95 Ų | 95 | 85.7 Ų | 85.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.9 | -175.6 | 64.1 | 0 | 0 | 0 | 111.6 | P102 F103 R104 C108 A109 L110 | P102-L106 PolarHBondContact O-N 3.46Å; F103-L106 PolarHBondContact O-N 3.35Å; R104-L106 VanDerWaalsContact C-N 3.33Å; L106-C108 VanDerWaalsContact C-N 3.33Å; L106-C108 PolarHBondContact O-N 2.74Å; L106-A109 PolarHBondContact O-N 3.08Å; L106-L110 WeakPolarHBondContact O-CG 3.25Å; L106-L110 PolarHBondContact O-N 3.41Å |
| 107 | Q | 94.4 | Very high | 93 | Very high | 92 Ų | 92 | 91.2 Ų | 91.2 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -41.9 | 178 | -72.1 | -172.4 | -59.3 | 0 | 0 | 112.2 | F103 R104 L110 Y111 | F103-Q107 HydrophobicContact CD1-CG 4.18Å; F103-Q107 HydrophobicContact CE1-CG 3.78Å; F103-Q107 VanDerWaalsContact CE1-NE2 3.34Å; F103-Q107 HydrophobicContact CE2-CG 4.18Å; F103-Q107 HydrophobicContact CZ-CG 3.78Å; F103-Q107 WeakPolarHBondContact O-CG 3.5Å; F103-Q107 PolarHBondContact O-N 3.41Å; R104-Q107 PolarHBondContact O-N 2.81Å; Q107-L110 WeakPolarHBondContact O-CB 3.21Å; Q107-Y111 WeakPolarHBondContact O-CD2 3.5Å |
| 108 | C | 95.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 91.3 Ų | 91.3 | 18% | 0.182 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 174.9 | -71.4 | 0 | 0 | 0 | 0 | 111.3 | R104 D105 L106 L110 Y111 W125 V126 | R104-C108 PolarHBondContact O-N 2.85Å; R104-C108 PolarHBondContact O-SG 3.04Å; R104-C108 VanDerWaalsContact O-SG 3.42Å; D105-C108 PolarHBondContact O-N 2.86Å; L106-C108 VanDerWaalsContact C-N 3.33Å; L106-C108 PolarHBondContact O-N 2.74Å; C108-L110 PolarHBondContact O-N 2.81Å; C108-L110 VanDerWaalsContact O-N 3.09Å; C108-Y111 PolarHBondContact O-N 3.48Å; C108-W125 HydrophobicContact CB-CB 3.85Å; C108-W125 WeakPolarHBondContact CB-O 3.13Å; C108-W125 WeakPolarHBondContact O-CB 3.38Å; C108-V126 VanDerWaalsContact SG-C 3.53Å |
| 109 | A | 96.2 | Very high | 92.3 | Very high | 45 Ų | 45 | 87.6 Ų | 87.6 | 37% | 0.372 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -27.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D105 L106 Y111 N112 | D105-A109 WeakPolarHBondContact O-CB 3.14Å; D105-A109 PolarHBondContact O-N 3.5Å; L106-A109 PolarHBondContact O-N 3.08Å; A109-Y111 PolarHBondContact O-N 3.38Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; A109-N112 WeakPolarHBondContact O-CB 3.33Å; A109-N112 PolarHBondContact O-N 3.3Å; A109-N112 VanDerWaalsContact O-N 3.1Å |
| 110 | L | 95.8 | Very high | 92.2 | Very high | 106 Ų | 106 | 92.4 Ų | 92.4 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.4 | 174.1 | -66.9 | 175.6 | 0 | 0 | 0 | 114.1 | L106 Q107 C108 R114 | L106-L110 WeakPolarHBondContact O-CG 3.25Å; L106-L110 PolarHBondContact O-N 3.41Å; Q107-L110 WeakPolarHBondContact O-CB 3.21Å; C108-L110 PolarHBondContact O-N 2.81Å; C108-L110 VanDerWaalsContact O-N 3.09Å; L110-R114 PolarHBondContact O-NE 3.47Å; L110-R114 PolarHBondContact O-NH2 2.86Å |
| 111 | Y | 94.9 | Very high | 92.3 | Very high | 131 Ų | 131 | 96.6 Ų | 96.6 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -3.7 | -180 | -65.5 | -91.8 | 0 | 0 | 0 | 113.5 | Q107 C108 A109 G113 R114 W125 | Q107-Y111 WeakPolarHBondContact O-CD2 3.5Å; C108-Y111 PolarHBondContact O-N 3.48Å; A109-Y111 PolarHBondContact O-N 3.38Å; A109-Y111 VanDerWaalsContact O-N 3.11Å; Y111-G113 PolarHBondContact O-N 3.29Å; Y111-R114 WeakPolarHBondContact O-CB 3.29Å; Y111-R114 PolarHBondContact O-N 3.42Å; Y111-R114 VanDerWaalsContact O-N 3.1Å; Y111-W125 VanDerWaalsContact CB-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 2.76Å |
| 112 | N | 95.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 95.6 Ų | 95.6 | 34% | 0.342 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.3 | 176.3 | -70.7 | -11.7 | 0 | 0 | 0 | 110.6 | A109 R114 Q124 W125 | A109-N112 WeakPolarHBondContact O-CB 3.33Å; A109-N112 PolarHBondContact O-N 3.3Å; A109-N112 VanDerWaalsContact O-N 3.1Å; N112-R114 PolarHBondContact O-N 3.04Å; N112-Q124 WeakPolarHBondContact OD1-CA 3.11Å; N112-W125 PolarHBondContact OD1-N 3.44Å |
| 113 | G | 93.3 | Very high | 92.7 | Very high | 50 Ų | 50 | 97.4 Ų | 97.4 | 52% | 0.515 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -4.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y111 T122 Y123 | Y111-G113 PolarHBondContact O-N 3.29Å; G113-T122 VanDerWaalsContact O-CG2 3.23Å; G113-T122 WeakPolarHBondContact O-CG2 3.35Å; G113-Y123 PolarHBondContact N-O 3.24Å |
| 114 | R | 93.3 | Very high | 93 | Very high | 148 Ų | 148 | 98.4 Ų | 98.4 | 56% | 0.558 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -76.6 | 131.4 | 171.9 | -60.2 | -172.9 | -173.8 | -119 | -0.8 | 109.5 | L110 Y111 N112 | L110-R114 PolarHBondContact O-NE 3.47Å; L110-R114 PolarHBondContact O-NH2 2.86Å; Y111-R114 WeakPolarHBondContact O-CB 3.29Å; Y111-R114 PolarHBondContact O-N 3.42Å; Y111-R114 VanDerWaalsContact O-N 3.1Å; N112-R114 PolarHBondContact O-N 3.04Å |
| 115 | P | 92.3 | Very high | 93.2 | Very high | 79 Ų | 79 | 98.3 Ų | 98.3 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | B | Isolated β-bridge | trans | -67.1 | 138.2 | 176.7 | 27.1 | -32.6 | 0 | 0 | 0 | 110.3 | K121 | P115-K121 WeakPolarHBondContact CA-O 3.28Å |
| 116 | V | 90.4 | Very high | 93.3 | Very high | 51 Ų | 51 | 100.1 Ų | 100.1 | 31% | 0.309 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 132.3 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 109.1 | G118 T119 K121 Y123 W125 | V116-G118 PolarHBondContact O-N 3.28Å; V116-T119 CarbonylContact O-C 3.57Å; V116-T119 PolarHBondContact O-N 3.48Å; V116-T119 PolarHBondContact O-OG1 3.27Å; V116-T119 VanDerWaalsContact O-OG1 3.05Å; V116-K121 PolarHBondContact N-O 3.37Å; V116-Y123 HydrophobicContact CB-CE2 4.47Å; V116-Y123 HydrophobicContact CG2-CD2 3.62Å; V116-Y123 HydrophobicContact CG2-CE2 3.83Å; V116-W125 HydrophobicContact CG2-CZ2 4.01Å |
| 117 | L | 89.4 | Confident | 93.5 | Very high | 173 Ų | 173 | 96.4 Ų | 96.4 | 91% | 0.906 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 128.7 | -179.8 | -65.7 | 175.4 | 0 | 0 | 0 | 111.3 | ||
| 118 | G | 89.2 | Confident | 93.4 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 90% | 0.897 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 1.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | V116 | V116-G118 PolarHBondContact O-N 3.28Š|
| 119 | T | 89.8 | Confident | 93 | Very high | 62 Ų | 62 | 105.4 Ų | 105.4 | 38% | 0.38 | 55% | 0.551 | S | S | . | * | trans | -139.7 | 155.2 | 174.1 | 75.6 | 0 | 0 | 0 | 0 | 111.4 | V116 K121 | V116-T119 CarbonylContact O-C 3.57Å; V116-T119 PolarHBondContact O-N 3.48Å; V116-T119 PolarHBondContact O-OG1 3.27Å; V116-T119 VanDerWaalsContact O-OG1 3.05Å; T119-K121 PolarHBondContact OG1-N 2.94Å | ||
| 120 | Q | 89.9 | Confident | 92.1 | Very high | 182 Ų | 182 | 108.9 Ų | 108.9 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -89.1 | 10.2 | 169.1 | -155.2 | 68.6 | 5.8 | 0 | 0 | 112.2 | ||
| 121 | K | 93.3 | Very high | 91.9 | Very high | 137 Ų | 137 | 109 Ų | 109 | 60% | 0.596 | 59% | 0.592 | S | S | * | * | trans | -87.6 | 142.2 | -176 | -65.9 | -175.9 | 179.5 | -179.1 | 0 | 110.4 | P115 V116 T119 Y123 | P115-K121 WeakPolarHBondContact CA-O 3.28Å; V116-K121 PolarHBondContact N-O 3.37Å; T119-K121 PolarHBondContact OG1-N 2.94Å; K121-Y123 HydrophobicContact CB-CE2 3.62Å; K121-Y123 WeakPolarHBondContact CD-OH 3.45Å | ||
| 122 | T | 94.4 | Very high | 91.8 | Very high | 85 Ų | 85 | 107.8 Ų | 107.8 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | B | Isolated β-bridge | trans | -112.6 | 151.7 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 110.2 | G113 | G113-T122 VanDerWaalsContact O-CG2 3.23Å; G113-T122 WeakPolarHBondContact O-CG2 3.35Å |
| 123 | Y | 93.7 | Very high | 91.6 | Very high | 117 Ų | 117 | 110.3 Ų | 110.3 | 46% | 0.459 | 61% | 0.611 | S | S | . | * | trans | -136.6 | 162.5 | -175.8 | -61.3 | -91.3 | 0 | 0 | 0 | 111.3 | G113 V116 K121 | G113-Y123 PolarHBondContact N-O 3.24Å; V116-Y123 HydrophobicContact CB-CE2 4.47Å; V116-Y123 HydrophobicContact CG2-CD2 3.62Å; V116-Y123 HydrophobicContact CG2-CE2 3.83Å; K121-Y123 HydrophobicContact CB-CE2 3.62Å; K121-Y123 WeakPolarHBondContact CD-OH 3.45Å | ||
| 124 | Q | 95.8 | Very high | 91.5 | Very high | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 62% | 0.616 | S | S | * | * | trans | -93.5 | 118.4 | 162.6 | -174 | 175.5 | 0.7 | 0 | 0 | 108.2 | N112 | N112-Q124 WeakPolarHBondContact OD1-CA 3.11Š| ||
| 125 | W | 95.3 | Very high | 91.4 | Very high | 113 Ų | 113 | 111.7 Ų | 111.7 | 43% | 0.428 | 62% | 0.62 | S | S | . | * | trans | -84.9 | 134.4 | 178.8 | -63.3 | 80.4 | 0 | 0 | 0 | 109 | C108 Y111 N112 V116 | C108-W125 HydrophobicContact CB-CB 3.85Å; C108-W125 WeakPolarHBondContact CB-O 3.13Å; C108-W125 WeakPolarHBondContact O-CB 3.38Å; Y111-W125 VanDerWaalsContact CB-CD1 3.5Å; Y111-W125 PolarHBondContact O-NE1 2.76Å; N112-W125 PolarHBondContact OD1-N 3.44Å; V116-W125 HydrophobicContact CG2-CZ2 4.01Å | ||
| 126 | V | 95.7 | Very high | 91.3 | Very high | 103 Ų | 103 | 113.9 Ų | 113.9 | 62% | 0.624 | 63% | 0.627 | S | S | * | * | trans | -127.8 | 154.1 | 177.2 | -64.9 | 0 | 0 | 0 | 0 | 109.8 | C108 F128 | C108-V126 VanDerWaalsContact SG-C 3.53Å; V126-F128 PolarHBondContact O-N 3.16Å | ||
| 127 | P | 95.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 118.4 Ų | 118.4 | 11% | 0.11 | 65% | 0.65 | C | S | . | * | trans | -63.1 | 136.1 | 177.8 | -22.9 | 34.6 | 0 | 0 | 0 | 112.3 | R104 D105 H129 | R104-P127 HydrophobicContact CB-CB 4.02Å; R104-P127 HydrophobicContact CB-CG 3.92Å; D105-P127 HydrophobicContact CB-CG 4.39Å; D105-P127 WeakPolarHBondContact OD1-CD 3.45Å; D105-P127 WeakPolarHBondContact OD1-CG 3.49Å; P127-H129 PolarHBondContact O-CD2 3.05Å | ||
| 128 | F | 93.4 | Very high | 91.6 | Very high | 162 Ų | 162 | 114.2 Ų | 114.2 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | trans | -87.9 | 126.3 | 171 | 177.1 | -106.3 | 0 | 0 | 0 | 110.6 | R104 V126 | R104-F128 PolarHBondContact NH1-O 3.05Å; R104-F128 PolarHBondContact NH2-O 3.5Å; V126-F128 PolarHBondContact O-N 3.16Å | ||
| 129 | H | 86.4 | Confident | 91.7 | Very high | 146 Ų | 146 | 116.4 Ų | 116.4 | 68% | 0.676 | 61% | 0.608 | S | S | * | * | trans | -101.4 | -6.5 | -174 | -73.9 | -83.3 | 0 | 0 | 0 | 115.9 | R104 P127 | R104-H129 PolarHBondContact NH1-ND1 3.41Å; P127-H129 PolarHBondContact O-CD2 3.05Å | ||
| 130 | G | 77.9 | Confident | 91.9 | Very high | 117 Ų | 117 | 121.4 Ų | 121.4 | 100% | 1.206 | 63% | 0.628 | S | S | * | * | trans | 79.3 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 130 of 130 residues in 105.7 ms
(Link to these results)