| 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 | 31.6 | Very low | 32.7 | Very low | 249 Ų | 249 | 167.8 Ų | 167.8 | 100% | 1.227 | 85% | 0.848 | S | S | * | * | 0 | 139.2 | 0 | -75 | 81.7 | 168 | 0 | 0 | 109.1 | |||||
| 2 | G | 32.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 168.8 Ų | 168.8 | 77% | 0.773 | 86% | 0.855 | S | S | * | * | trans | 91.5 | 98.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 3 | K | 30.4 | Very low | 33 | Very low | 201 Ų | 201 | 163.3 Ų | 163.3 | 87% | 0.874 | 85% | 0.852 | S | S | * | * | 58.1 | 116.8 | 56.4 | -67.1 | -87.6 | -171.7 | 171.9 | 0 | 110.8 | |||||
| 4 | L | 30.9 | Very low | 33 | Very low | 168 Ų | 168 | 159.6 Ų | 159.6 | 88% | 0.88 | 85% | 0.846 | S | S | * | * | -164.4 | 155 | 63.6 | -93.6 | 145.2 | 0 | 0 | 0 | 112.8 | |||||
| 5 | R | 34.8 | Very low | 33.5 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 88% | 0.875 | 84% | 0.841 | S | S | * | * | trans | -78.7 | 166.2 | 163.5 | -59.5 | -175.1 | -170.7 | -173.6 | 3 | 110.7 | ||||
| 6 | P | 39.6 | Very low | 33.5 | Very low | 132 Ų | 132 | 155.6 Ų | 155.6 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | -143.2 | 167.4 | 101 | 35 | -19 | 0 | 0 | 0 | 111.3 | |||||
| 7 | G | 31.6 | Very low | 33.5 | Very low | 69 Ų | 69 | 153.8 Ų | 153.8 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | cis | -176.4 | 146.8 | 0.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 8 | R | 31.8 | Very low | 34.4 | Very low | 216 Ų | 216 | 154.6 Ų | 154.6 | 82% | 0.815 | 83% | 0.834 | S | S | * | * | trans | 31.3 | 120.7 | 150.1 | -163 | -178 | -63.7 | -171.5 | -0.8 | 121.2 | ||||
| 9 | V | 34.1 | Very low | 35.2 | Very low | 119 Ų | 119 | 157.2 Ų | 157.2 | 72% | 0.721 | 83% | 0.831 | S | S | * | * | -136.1 | 115.5 | 128.2 | 177.4 | 0 | 0 | 0 | 0 | 108 | W11 | V9-W11 HydrophobicContact CG1-CG 4.49Š| |||
| 10 | E | 30.3 | Very low | 35.9 | Very low | 150 Ų | 150 | 154.9 Ų | 154.9 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | trans | -73.5 | 131.6 | 164.2 | -91.5 | 157.9 | 133 | 0 | 0 | 109.2 | ||||
| 11 | W | 32.4 | Very low | 36.8 | Very low | 235 Ų | 235 | 153.2 Ų | 153.2 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -125 | 118.3 | 153.5 | -72.2 | 109.9 | 0 | 0 | 0 | 107.9 | V9 | V9-W11 HydrophobicContact CG1-CG 4.49Š| ||
| 12 | L | 34.1 | Very low | 37.9 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | trans | -63.9 | 126.3 | 168.2 | -72.6 | 156.6 | 0 | 0 | 0 | 108.8 | ||||
| 13 | A | 35.6 | Very low | 39 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -141.3 | 111.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 14 | S | 32.8 | Very low | 40.3 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | trans | -14.8 | 136 | 164.4 | -51.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 15 | G | 40.1 | Very low | 41.6 | Very low | 75 Ų | 75 | 144.6 Ų | 144.6 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -62.7 | 141.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 16 | H | 34.2 | Very low | 43.1 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 83% | 0.833 | 73% | 0.734 | S | S | * | * | trans | -118.5 | 135.4 | 162.6 | -85.5 | -82.3 | 0 | 0 | 0 | 109.8 | ||||
| 17 | T | 33.4 | Very low | 44.4 | Very low | 125 Ų | 125 | 137.3 Ų | 137.3 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | trans | -67.7 | 121.5 | -174.3 | -44.9 | 0 | 0 | 0 | 0 | 111.5 | R19 | T17-R19 PolarHBondContact O-N 3.03Š| ||
| 18 | E | 48.8 | Very low | 46 | Very low | 168 Ų | 168 | 138.4 Ų | 138.4 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | trans | -63.2 | 118 | 169.3 | -74.5 | -82.2 | 143.1 | 0 | 0 | 110.6 | ||||
| 19 | R | 50 | Low | 47.8 | Very low | 205 Ų | 205 | 134.9 Ų | 134.9 | 77% | 0.774 | 70% | 0.701 | S | S | * | * | trans | -130.1 | 153.7 | 168.8 | -89.2 | -170.2 | -165.6 | -178.6 | 5.7 | 108.9 | T17 H21 | T17-R19 PolarHBondContact O-N 3.03Å; R19-H21 PolarHBondContact O-N 3.37Å | ||
| 20 | P | 48.3 | Very low | 49.5 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | trans | -75.7 | 110.7 | -140.9 | 30 | -34.4 | 0 | 0 | 0 | 113.5 | L22 | P20-L22 PolarHBondContact O-N 3.49Š| ||
| 21 | H | 55.7 | Low | 51.2 | Low | 119 Ų | 119 | 135.2 Ų | 135.2 | 55% | 0.551 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -68.8 | -6.1 | 177.6 | -77.5 | -82.2 | 0 | 0 | 0 | 115.2 | R19 N25 | R19-H21 PolarHBondContact O-N 3.37Å; H21-N25 VanDerWaalsContact O-CB 3.27Å; H21-N25 WeakPolarHBondContact O-CB 3.22Å; H21-N25 PolarHBondContact O-N 2.04Å; H21-N25 VanDerWaalsContact O-N 3.11Å; H21-N25 PolarHBondContact O-ND2 3.3Å |
| 22 | L | 54.7 | Low | 52.9 | Low | 142 Ų | 142 | 126.1 Ų | 126.1 | 74% | 0.743 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.7 | -36.9 | -170.1 | -123.5 | 149.9 | 0 | 0 | 0 | 113 | P20 L26 | P20-L22 PolarHBondContact O-N 3.49Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 PolarHBondContact O-N 2.78Å; L22-L26 VanDerWaalsContact O-N 3.1Å |
| 23 | F | 54.7 | Low | 54.5 | Low | 159 Ų | 159 | 123.6 Ų | 123.6 | 70% | 0.697 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -76.3 | -37.8 | -178.9 | -132.9 | -94.1 | 0 | 0 | 0 | 112.2 | L26 L27 | F23-L26 PolarHBondContact O-N 3.01Å; F23-L27 HydrophobicContact CD1-CD1 4.2Å; F23-L27 PolarHBondContact O-N 3.06Å; F23-L27 VanDerWaalsContact O-N 3.17Å |
| 24 | Q | 58.2 | Low | 55.9 | Low | 138 Ų | 138 | 125.8 Ų | 125.8 | 65% | 0.645 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.6 | -38.7 | 176.2 | -163.6 | 124.2 | -13.7 | 0 | 0 | 111.5 | L28 | Q24-L28 WeakPolarHBondContact O-CG 3.09Å; Q24-L28 PolarHBondContact O-N 3.27Å; Q24-L28 VanDerWaalsContact O-N 3.07Å |
| 25 | N | 59.1 | Low | 57.2 | Low | 73 Ų | 73 | 124.5 Ų | 124.5 | 39% | 0.39 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -66.4 | -41.4 | 174.4 | -73.2 | -12.8 | 0 | 0 | 0 | 111.6 | H21 L27 L28 F29 | H21-N25 VanDerWaalsContact O-CB 3.27Å; H21-N25 WeakPolarHBondContact O-CB 3.22Å; H21-N25 PolarHBondContact O-N 2.04Å; H21-N25 VanDerWaalsContact O-N 3.11Å; H21-N25 PolarHBondContact O-ND2 3.3Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 3.11Å; N25-L28 PolarHBondContact O-N 3.22Å; N25-F29 HydrophobicContact CB-CD2 4.45Å; N25-F29 WeakPolarHBondContact O-CB 3.37Å; N25-F29 WeakPolarHBondContact O-CD2 3.04Å; N25-F29 PolarHBondContact O-N 3.45Å |
| 26 | L | 65.2 | Low | 58.1 | Low | 100 Ų | 100 | 126 Ų | 126 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.8 | -39 | 178.9 | -154.4 | 80.9 | 0 | 0 | 0 | 112.4 | L22 F23 F29 L30 | L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 PolarHBondContact O-N 2.78Å; L22-L26 VanDerWaalsContact O-N 3.1Å; F23-L26 PolarHBondContact O-N 3.01Å; L26-F29 PolarHBondContact O-N 3.47Å; L26-L30 HydrophobicContact CG-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CD1 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.89Å |
| 27 | L | 67.3 | Low | 59.3 | Low | 112 Ų | 112 | 120.7 Ų | 120.7 | 59% | 0.586 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66 | -40.4 | 173.7 | -94 | 147.1 | 0 | 0 | 0 | 112.5 | F23 N25 L30 W31 | F23-L27 HydrophobicContact CD1-CD1 4.2Å; F23-L27 PolarHBondContact O-N 3.06Å; F23-L27 VanDerWaalsContact O-N 3.17Å; N25-L27 VanDerWaalsContact C-N 3.34Å; N25-L27 PolarHBondContact O-N 3.11Å; L27-L30 PolarHBondContact O-N 2.77Å; L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.48Å; L27-W31 PolarHBondContact O-N 3.18Å |
| 28 | L | 66.1 | Low | 60.5 | Low | 92 Ų | 92 | 120.7 Ų | 120.7 | 48% | 0.482 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.6 | -39.5 | 174.3 | -73.5 | 168.3 | 0 | 0 | 0 | 112.2 | Q24 N25 W31 A32 | Q24-L28 WeakPolarHBondContact O-CG 3.09Å; Q24-L28 PolarHBondContact O-N 3.27Å; Q24-L28 VanDerWaalsContact O-N 3.07Å; N25-L28 PolarHBondContact O-N 3.22Å; L28-W31 HydrophobicContact CD2-CE3 4.39Å; L28-W31 PolarHBondContact O-N 2.8Å; L28-A32 WeakPolarHBondContact O-CB 3.02Å; L28-A32 PolarHBondContact O-N 3.13Å |
| 29 | F | 67.9 | Low | 60.9 | Low | 142 Ų | 142 | 116.5 Ų | 116.5 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.1 | -41.7 | 174.1 | -86.1 | -69 | 0 | 0 | 0 | 111.7 | N25 L26 A32 L33 | N25-F29 HydrophobicContact CB-CD2 4.45Å; N25-F29 WeakPolarHBondContact O-CB 3.37Å; N25-F29 WeakPolarHBondContact O-CD2 3.04Å; N25-F29 PolarHBondContact O-N 3.45Å; L26-F29 PolarHBondContact O-N 3.47Å; F29-A32 PolarHBondContact O-N 3.11Å; F29-L33 WeakPolarHBondContact O-CB 3.43Å; F29-L33 WeakPolarHBondContact O-CG 3.29Å; F29-L33 PolarHBondContact O-N 3.01Å |
| 30 | L | 69.9 | Low | 61.3 | Low | 102 Ų | 102 | 112 Ų | 112 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 173.9 | -79.6 | 161.9 | 0 | 0 | 0 | 111.9 | L26 L27 L33 L34 | L26-L30 HydrophobicContact CG-CD1 4.41Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CD1 3.19Å; L26-L30 WeakPolarHBondContact O-CG 3.34Å; L26-L30 PolarHBondContact O-N 2.89Å; L27-L30 PolarHBondContact O-N 2.77Å; L30-L33 PolarHBondContact O-N 3.32Å; L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.18Å |
| 31 | W | 67.4 | Low | 62 | Low | 173 Ų | 173 | 111.1 Ų | 111.1 | 66% | 0.655 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -66.2 | -37.1 | 174.2 | -178.3 | 69.1 | 0 | 0 | 0 | 112.6 | L27 L28 N35 | L27-W31 VanDerWaalsContact O-CB 3.25Å; L27-W31 WeakPolarHBondContact O-CB 3.48Å; L27-W31 PolarHBondContact O-N 3.18Å; L28-W31 HydrophobicContact CD2-CE3 4.39Å; L28-W31 PolarHBondContact O-N 2.8Å; W31-N35 VanDerWaalsContact CD1-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.25Å; W31-N35 VanDerWaalsContact NE1-ND2 3.11Å; W31-N35 WeakPolarHBondContact O-CB 3.22Å; W31-N35 PolarHBondContact O-N 3.49Å; W31-N35 PolarHBondContact O-ND2 2.96Å |
| 32 | A | 68.3 | Low | 62.1 | Low | 45 Ų | 45 | 108.2 Ų | 108.2 | 37% | 0.372 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68.4 | -41.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L28 F29 N35 C36 | L28-A32 WeakPolarHBondContact O-CB 3.02Å; L28-A32 PolarHBondContact O-N 3.13Å; F29-A32 PolarHBondContact O-N 3.11Å; A32-N35 PolarHBondContact O-N 3.23Å; A32-C36 VanDerWaalsContact O-CB 3.27Å; A32-C36 WeakPolarHBondContact O-CB 3.45Å; A32-C36 PolarHBondContact O-N 3.08Å; A32-C36 PolarHBondContact O-SG 3.22Å; A32-C36 VanDerWaalsContact O-SG 3.38Å |
| 33 | L | 66.9 | Low | 62.3 | Low | 126 Ų | 126 | 107.8 Ų | 107.8 | 66% | 0.66 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65 | -37.2 | 174.7 | -71 | 169.8 | 0 | 0 | 0 | 112.1 | F29 L30 | F29-L33 WeakPolarHBondContact O-CB 3.43Å; F29-L33 WeakPolarHBondContact O-CG 3.29Å; F29-L33 PolarHBondContact O-N 3.01Å; L30-L33 PolarHBondContact O-N 3.32Å |
| 34 | L | 63.8 | Low | 63 | Low | 144 Ų | 144 | 100.6 Ų | 100.6 | 75% | 0.754 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -69.3 | -37.1 | 176 | -135.1 | 81.7 | 0 | 0 | 0 | 112.3 | L30 | L30-L34 WeakPolarHBondContact O-CB 3.43Å; L30-L34 PolarHBondContact O-N 3.18Å |
| 35 | N | 60.8 | Low | 63.8 | Low | 83 Ų | 83 | 98.5 Ų | 98.5 | 44% | 0.444 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -84.2 | -19.7 | 178.9 | -78.4 | -67.5 | 0 | 0 | 0 | 114.1 | W31 A32 G37 | W31-N35 VanDerWaalsContact CD1-ND2 3.33Å; W31-N35 PolarHBondContact NE1-ND2 3.25Å; W31-N35 VanDerWaalsContact NE1-ND2 3.11Å; W31-N35 WeakPolarHBondContact O-CB 3.22Å; W31-N35 PolarHBondContact O-N 3.49Å; W31-N35 PolarHBondContact O-ND2 2.96Å; A32-N35 PolarHBondContact O-N 3.23Å; N35-G37 PolarHBondContact O-N 3.44Å |
| 36 | C | 58.7 | Low | 65 | Low | 108 Ų | 108 | 95.3 Ų | 95.3 | 73% | 0.73 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -12.9 | 175.2 | -89.3 | 0 | 0 | 0 | 0 | 113.8 | A32 | A32-C36 VanDerWaalsContact O-CB 3.27Å; A32-C36 WeakPolarHBondContact O-CB 3.45Å; A32-C36 PolarHBondContact O-N 3.08Å; A32-C36 PolarHBondContact O-SG 3.22Å; A32-C36 VanDerWaalsContact O-SG 3.38Å |
| 37 | G | 59.3 | Low | 66.1 | Low | 67 Ų | 67 | 97.4 Ų | 97.4 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -15.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N35 G39 | N35-G37 PolarHBondContact O-N 3.44Å; G37-G39 PolarHBondContact O-N 2.94Å |
| 38 | L | 59.3 | Low | 67.4 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 66% | 0.66 | 54% | 0.542 | S | S | * | . | trans | -91.4 | 91 | 172.6 | -74.3 | 164 | 0 | 0 | 0 | 107.1 | V40 | L38-V40 HydrophobicContact CB-CG2 4.23Å; L38-V40 PolarHBondContact O-N 3.01Å | ||
| 39 | G | 58.2 | Low | 68.9 | Low | 79 Ų | 79 | 90.9 Ų | 90.9 | 81% | 0.814 | 53% | 0.529 | S | S | * | . | trans | -64.2 | 53.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G37 S41 | G37-G39 PolarHBondContact O-N 2.94Å; G39-S41 VanDerWaalsContact C-N 3.28Å; G39-S41 PolarHBondContact O-N 3.48Å | ||
| 40 | V | 58.1 | Low | 70.2 | Confident | 112 Ų | 112 | 89.6 Ų | 89.6 | 68% | 0.679 | 54% | 0.535 | S | S | * | . | trans | -66.6 | 98.1 | 164.2 | 179.3 | 0 | 0 | 0 | 0 | 104.2 | L38 A42 | L38-V40 HydrophobicContact CB-CG2 4.23Å; L38-V40 PolarHBondContact O-N 3.01Å; V40-A42 PolarHBondContact O-N 3.28Å | ||
| 41 | S | 61.5 | Low | 71.5 | Confident | 91 Ų | 91 | 88.3 Ų | 88.3 | 64% | 0.636 | 52% | 0.523 | S | S | * | . | trans | -51.7 | 104.4 | 155.8 | -82 | 0 | 0 | 0 | 0 | 105.1 | G39 Q43 | G39-S41 VanDerWaalsContact C-N 3.28Å; G39-S41 PolarHBondContact O-N 3.48Å; S41-Q43 PolarHBondContact O-N 3.25Å; S41-Q43 PolarHBondContact O-NE2 2.75Å | ||
| 42 | A | 57.9 | Low | 73 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | trans | -65 | 86.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | V40 W82 | V40-A42 PolarHBondContact O-N 3.28Å; A42-W82 HydrophobicContact CB-CE3 3.64Å; A42-W82 HydrophobicContact CB-CZ3 3.72Å | ||
| 43 | Q | 60.7 | Low | 74.4 | Confident | 134 Ų | 134 | 86.5 Ų | 86.5 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | trans | -76.4 | 122.2 | 167.9 | -70 | 159.9 | 90.7 | 0 | 0 | 103.5 | S41 | S41-Q43 PolarHBondContact O-N 3.25Å; S41-Q43 PolarHBondContact O-NE2 2.75Å | ||
| 44 | G | 67.6 | Low | 75.9 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 7% | 0.072 | 51% | 0.51 | C | S | . | . | trans | -53.8 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G46 | G44-G46 PolarHBondContact O-N 3.4Š| ||
| 45 | P | 76 | Confident | 77.6 | Confident | 95 Ų | 95 | 79.9 Ų | 79.9 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -64.8 | -16.3 | -174.4 | 25.9 | -33.2 | 0 | 0 | 0 | 114.1 | E79 | P45-E79 HydrophobicContact CG-CB 3.51Š|
| 46 | G | 83.4 | Confident | 79.3 | Confident | 6 Ų | 6 | 86.9 Ų | 86.9 | 6% | 0.062 | 52% | 0.516 | C | S | . | . | S | Bend | trans | -78.6 | 153.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G44 C81 | G44-G46 PolarHBondContact O-N 3.4Å; G46-C81 PolarHBondContact O-SG 3.46Å |
| 47 | E | 90.1 | Very high | 81.2 | Confident | 143 Ų | 143 | 82.8 Ų | 82.8 | 67% | 0.668 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 129.3 | 179.8 | -170.9 | 179.4 | 176.1 | 0 | 0 | 111.1 | L73 | E47-L73 PolarHBondContact N-O 2.79Å; E47-L73 WeakPolarHBondContact O-CB 3.46Å; E47-L73 PolarHBondContact O-N 2.02Å |
| 48 | W | 94.5 | Very high | 82.9 | Confident | 31 Ų | 31 | 83.9 Ų | 83.9 | 12% | 0.117 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 133.3 | 172.5 | -78 | 116.3 | 0 | 0 | 0 | 110.9 | R70 R71 C72 C81 W82 G83 | W48-R70 HydrophobicContact CD2-CG 4.17Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.51Å; W48-R70 HydrophobicContact CZ3-CG 3.81Å; W48-R71 VanDerWaalsContact CE3-C 3.45Å; W48-C72 HydrophobicContact CE3-CB 4.04Å; W48-C72 HydrophobicContact CH2-CB 4.1Å; W48-C72 HydrophobicContact CZ3-CB 3.73Å; W48-C81 HydrophobicContact CD2-CB 3.78Å; W48-C81 HydrophobicContact CE3-CB 4.35Å; W48-C81 HydrophobicContact CG-CB 4.29Å; W48-C81 HydrophobicContact CH2-CB 3.98Å; W48-C81 HydrophobicContact CZ2-CB 3.35Å; W48-C81 HydrophobicContact CZ3-CB 4.44Å; W48-W82 PolarHBondContact NE1-O 2.68Å; W48-G83 WeakPolarHBondContact CZ2-O 3.19Å |
| 49 | T | 95.9 | Very high | 84.6 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 22% | 0.221 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 156.5 | 162 | 68.4 | 0 | 0 | 0 | 0 | 109.9 | R71 L73 | T49-R71 HydrophobicContact CG2-CB 3.97Å; T49-R71 WeakPolarHBondContact CG2-O 3.43Å; T49-R71 PolarHBondContact N-O 2.91Å; T49-R71 PolarHBondContact OG1-N 2.84Å; T49-R71 PolarHBondContact OG1-O 2.78Å; T49-L73 HydrophobicContact CG2-CD1 3.98Å; T49-L73 HydrophobicContact CG2-CD2 3.82Å; T49-L73 HydrophobicContact CG2-CG 3.76Å |
| 50 | P | 96.3 | Very high | 86.3 | Confident | 115 Ų | 115 | 81.6 Ų | 81.6 | 75% | 0.747 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 148.1 | 164.5 | -24.9 | 34.5 | 0 | 0 | 0 | 110.9 | V52 | P50-V52 PolarHBondContact O-N 3.43Š|
| 51 | W | 97.9 | Very high | 88.1 | Confident | 76 Ų | 76 | 77.6 Ų | 77.6 | 29% | 0.288 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 133 | 171 | -73.9 | 107.5 | 0 | 0 | 0 | 110.2 | R68 S69 R70 E87 | W51-R68 HydrophobicContact CD2-CG 4.27Å; W51-R68 HydrophobicContact CE3-CB 4.32Å; W51-R68 HydrophobicContact CE3-CG 3.65Å; W51-R68 HydrophobicContact CZ3-CG 4.04Å; W51-S69 VanDerWaalsContact CE3-C 3.48Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.8Å; W51-R70 HydrophobicContact CE3-CG 3.74Å; W51-R70 HydrophobicContact CH2-CG 3.72Å; W51-R70 VanDerWaalsContact CZ2-CD 3.48Å; W51-R70 HydrophobicContact CZ2-CG 4.03Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.47Å; W51-R70 HydrophobicContact CZ3-CB 4.11Å; W51-R70 HydrophobicContact CZ3-CG 3.58Å; W51-E87 HydrophobicContact CH2-CB 3.87Å; W51-E87 HydrophobicContact CZ2-CB 4.45Å; W51-E87 HydrophobicContact CZ3-CB 4.04Å |
| 52 | V | 98.1 | Very high | 89.7 | Confident | 71 Ų | 71 | 73.8 Ų | 73.8 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 159.8 | 166.4 | -54.9 | 0 | 0 | 0 | 0 | 110 | P50 R68 S69 | P50-V52 PolarHBondContact O-N 3.43Å; V52-R68 HydrophobicContact CG2-CB 4.34Å; V52-R68 WeakPolarHBondContact O-CB 3.41Å; V52-S69 WeakPolarHBondContact CG2-O 3.39Å; V52-S69 PolarHBondContact N-O 2.82Å |
| 53 | S | 98.3 | Very high | 91.4 | Very high | 108 Ų | 108 | 79 Ų | 79 | 76% | 0.755 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 142.9 | 171.1 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | T55 | S53-T55 PolarHBondContact O-N 2.88Š|
| 54 | W | 98.4 | Very high | 93.1 | Very high | 57 Ų | 57 | 72.9 Ų | 72.9 | 22% | 0.216 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -49.3 | 134.1 | 170.5 | -71.1 | 105.8 | 0 | 0 | 0 | 112.1 | S66 V67 R68 E87 R89 | W54-S66 WeakPolarHBondContact CZ3-O 3.41Å; W54-V67 VanDerWaalsContact CE3-C 3.44Å; W54-R68 HydrophobicContact CD2-CB 3.95Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.48Å; W54-R68 HydrophobicContact CE3-CB 3.79Å; W54-R68 HydrophobicContact CE3-CG 3.8Å; W54-R68 HydrophobicContact CG-CB 4.47Å; W54-R68 HydrophobicContact CH2-CG 3.69Å; W54-R68 VanDerWaalsContact CZ2-CD 3.5Å; W54-R68 HydrophobicContact CZ2-CG 3.83Å; W54-R68 HydrophobicContact CZ3-CB 4.11Å; W54-R68 HydrophobicContact CZ3-CG 3.67Å; W54-E87 HydrophobicContact CH2-CB 4.04Å; W54-E87 HydrophobicContact CH2-CG 3.83Å; W54-E87 HydrophobicContact CZ2-CG 4.49Å; W54-E87 VanDerWaalsContact CZ3-O 3.29Å; W54-E87 WeakPolarHBondContact CZ3-O 3.31Å; W54-R89 VanDerWaalsContact CD1-CZ 3.44Å; W54-R89 HydrophobicContact CD2-CG 4.19Å; W54-R89 VanDerWaalsContact CD2-NE 3.31Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 HydrophobicContact CH2-CB 3.88Å; W54-R89 HydrophobicContact CH2-CG 3.85Å; W54-R89 HydrophobicContact CZ2-CB 4.41Å; W54-R89 HydrophobicContact CZ2-CG 4.24Å; W54-R89 HydrophobicContact CZ3-CB 4.02Å; W54-R89 HydrophobicContact CZ3-CG 3.61Å |
| 55 | T | 98.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 75.1 Ų | 75.1 | 46% | 0.46 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 162.5 | 171.6 | 62.9 | 0 | 0 | 0 | 0 | 110.4 | S53 S66 V67 | S53-T55 PolarHBondContact O-N 2.88Å; T55-S66 PolarHBondContact O-OG 2.92Å; T55-V67 VanDerWaalsContact CG2-O 3.31Å; T55-V67 WeakPolarHBondContact CG2-O 3.43Å; T55-V67 PolarHBondContact N-O 2.95Å; T55-V67 PolarHBondContact OG1-N 3.36Å; T55-V67 PolarHBondContact OG1-O 3.21Å |
| 56 | R | 97.7 | Very high | 95.5 | Very high | 230 Ų | 230 | 70.7 Ų | 70.7 | 87% | 0.868 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -54.3 | 151.2 | 162.7 | -172.6 | 176.9 | -75.1 | 176.1 | -3.2 | 109.7 | ||
| 57 | C | 97.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 15% | 0.149 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 140.8 | 172.7 | -161.6 | 0 | 0 | 0 | 0 | 110.5 | S59 C91 L93 | C57-S59 PolarHBondContact O-N 3.41Å; C57-C91 WeakPolarHBondContact CA-SG 3.21Å; C57-C91 HydrophobicContact CB-CB 3.85Å; C57-C91 WeakPolarHBondContact CB-SG 3.48Å; C57-C91 WeakPolarHBondContact SG-CB 3.47Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.03Å; C57-L93 HydrophobicContact CB-CD1 3.8Å; C57-L93 VanDerWaalsContact SG-CD1 3.53Å |
| 58 | S | 95.8 | Very high | 96.7 | Very high | 89 Ų | 89 | 68.2 Ų | 68.2 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -61.4 | -23.6 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 113.3 | G64 V65 | S58-G64 WeakPolarHBondContact OG-CA 3.48Å; S58-V65 WeakPolarHBondContact CB-O 3.29Å; S58-V65 PolarHBondContact N-O 3.26Å; S58-V65 PolarHBondContact OG-N 2.81Å |
| 59 | S | 94.2 | Very high | 96.8 | Very high | 42 Ų | 42 | 68.8 Ų | 68.8 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -108.9 | 155 | 179.3 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | C57 C61 R63 G64 L93 | C57-S59 PolarHBondContact O-N 3.41Å; S59-C61 VanDerWaalsContact CB-O 3.29Å; S59-C61 WeakPolarHBondContact CB-O 3.41Å; S59-R63 WeakPolarHBondContact CB-O 3.49Å; S59-R63 PolarHBondContact OG-O 3Å; S59-G64 WeakPolarHBondContact OG-CA 3.08Å; S59-L93 WeakPolarHBondContact O-CD1 3.39Å | ||
| 60 | S | 93.9 | Very high | 96.9 | Very high | 115 Ų | 115 | 69.4 Ų | 69.4 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -95 | -14.8 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 61 | C | 95.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 73.1 Ų | 73.1 | 19% | 0.189 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -147.3 | 165.8 | 175.3 | 59.1 | 0 | 0 | 0 | 0 | 109.6 | S59 P94 C96 | S59-C61 VanDerWaalsContact CB-O 3.29Å; S59-C61 WeakPolarHBondContact CB-O 3.41Å; C61-P94 CarbonylContact C-O 3.54Å; C61-P94 WeakPolarHBondContact CA-O 3.48Å; C61-P94 WeakPolarHBondContact CB-O 3.23Å; C61-C96 VanDerWaalsContact C-SG 3.51Å; C61-C96 HydrophobicContact CB-CB 3.91Å; C61-C96 WeakPolarHBondContact CB-SG 2.99Å; C61-C96 WeakPolarHBondContact SG-CA 3.48Å; C61-C96 WeakPolarHBondContact SG-CB 3.28Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.92Å |
| 62 | G | 94.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 71.4 Ų | 71.4 | 11% | 0.113 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 61.1 | -136.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L93 P94 | G62-L93 WeakPolarHBondContact O-CB 3.37Å; G62-L93 PolarHBondContact O-N 3.44Å; G62-P94 PolarHBondContact N-O 2.91Å |
| 63 | R | 95.1 | Very high | 96.5 | Very high | 167 Ų | 167 | 72.6 Ų | 72.6 | 63% | 0.63 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 142.4 | -178.4 | -169.1 | 177.4 | -65.3 | 162.4 | 2.2 | 111.2 | S59 L90 | S59-R63 WeakPolarHBondContact CB-O 3.49Å; S59-R63 PolarHBondContact OG-O 3Å; R63-L90 HydrophobicContact CG-CD2 4.48Å |
| 64 | G | 95.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 73.6 Ų | 73.6 | 6% | 0.062 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | -169.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S58 S59 C91 | S58-G64 WeakPolarHBondContact OG-CA 3.48Å; S59-G64 WeakPolarHBondContact OG-CA 3.08Å; G64-C91 PolarHBondContact N-O 2.83Å; G64-C91 PolarHBondContact O-N 2.59Å; G64-C91 PolarHBondContact O-SG 3.4Å; G64-C91 VanDerWaalsContact O-SG 3.4Å |
| 65 | V | 96.9 | Very high | 95.7 | Very high | 55 Ų | 55 | 76.1 Ų | 76.1 | 33% | 0.333 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 138.8 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 109.3 | S58 V67 Y88 R89 L90 C91 | S58-V65 WeakPolarHBondContact CB-O 3.29Å; S58-V65 PolarHBondContact N-O 3.26Å; S58-V65 PolarHBondContact OG-N 2.81Å; V65-V67 HydrophobicContact CG1-CG2 4.28Å; V65-Y88 HydrophobicContact CG1-CD1 4Å; V65-R89 WeakPolarHBondContact CA-O 3.39Å; V65-L90 HydrophobicContact CG2-CD2 4.26Å; V65-C91 PolarHBondContact N-SG 3.34Å |
| 66 | S | 98.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 78.6 Ų | 78.6 | 1% | 0.007 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.4 | 170.2 | 173.7 | 0 | 0 | 0 | 0 | 107.8 | W54 T55 R89 | W54-S66 WeakPolarHBondContact CZ3-O 3.41Å; T55-S66 PolarHBondContact O-OG 2.92Å; S66-R89 PolarHBondContact N-O 2.05Å; S66-R89 PolarHBondContact O-N 2.92Å |
| 67 | V | 98.4 | Very high | 94.5 | Very high | 38 Ų | 38 | 71.7 Ų | 71.7 | 23% | 0.23 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 144 | -173.9 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | W54 T55 V65 E87 Y88 | W54-V67 VanDerWaalsContact CE3-C 3.44Å; T55-V67 VanDerWaalsContact CG2-O 3.31Å; T55-V67 WeakPolarHBondContact CG2-O 3.43Å; T55-V67 PolarHBondContact N-O 2.95Å; T55-V67 PolarHBondContact OG1-N 3.36Å; T55-V67 PolarHBondContact OG1-O 3.21Å; V65-V67 HydrophobicContact CG1-CG2 4.28Å; V67-E87 WeakPolarHBondContact CA-O 3.46Å; V67-Y88 HydrophobicContact CB-CD1 4.41Å; V67-Y88 HydrophobicContact CB-CE1 4.45Å; V67-Y88 HydrophobicContact CG1-CD1 4.13Å; V67-Y88 HydrophobicContact CG1-CE1 3.86Å; V67-Y88 HydrophobicContact CG2-CD1 3.62Å; V67-Y88 HydrophobicContact CG2-CE1 3.72Å |
| 68 | R | 98.4 | Very high | 94.1 | Very high | 60 Ų | 60 | 74.6 Ų | 74.6 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.9 | 162 | 64.4 | 176.6 | -178.2 | -170.7 | -5.7 | 109.2 | W51 V52 W54 H86 E87 | W51-R68 HydrophobicContact CD2-CG 4.27Å; W51-R68 HydrophobicContact CE3-CB 4.32Å; W51-R68 HydrophobicContact CE3-CG 3.65Å; W51-R68 HydrophobicContact CZ3-CG 4.04Å; V52-R68 HydrophobicContact CG2-CB 4.34Å; V52-R68 WeakPolarHBondContact O-CB 3.41Å; W54-R68 HydrophobicContact CD2-CB 3.95Å; W54-R68 HydrophobicContact CD2-CG 3.95Å; W54-R68 VanDerWaalsContact CE2-CD 3.48Å; W54-R68 HydrophobicContact CE3-CB 3.79Å; W54-R68 HydrophobicContact CE3-CG 3.8Å; W54-R68 HydrophobicContact CG-CB 4.47Å; W54-R68 HydrophobicContact CH2-CG 3.69Å; W54-R68 VanDerWaalsContact CZ2-CD 3.5Å; W54-R68 HydrophobicContact CZ2-CG 3.83Å; W54-R68 HydrophobicContact CZ3-CB 4.11Å; W54-R68 HydrophobicContact CZ3-CG 3.67Å; R68-H86 WeakPolarHBondContact O-CA 3.1Å; R68-E87 HydrophobicContact CG-CB 3.84Å; R68-E87 IonicContact CZ-OE1 3.46Å; R68-E87 IonicContact CZ-OE2 3.07Å; R68-E87 PolarHBondContact N-O 2.9Å; R68-E87 VanDerWaalsContact NE-CD 3.31Å; R68-E87 IonicContact NE-OE1 3.53Å; R68-E87 IonicContact NE-OE2 2.81Å; R68-E87 PolarHBondContact NE-OE2 2.86Å; R68-E87 IonicContact NH2-OE1 2.83Å; R68-E87 PolarHBondContact NH2-OE1 3.05Å; R68-E87 IonicContact NH2-OE2 2.59Å; R68-E87 PolarHBondContact NH2-OE2 3.37Å; R68-E87 PolarHBondContact O-N 2.95Å |
| 69 | S | 98.1 | Very high | 93.7 | Very high | 43 Ų | 43 | 75.8 Ų | 75.8 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 159.9 | 179 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | W51 V52 S85 | W51-S69 VanDerWaalsContact CE3-C 3.48Å; V52-S69 WeakPolarHBondContact CG2-O 3.39Å; V52-S69 PolarHBondContact N-O 2.82Å; S69-S85 CarbonylContact C-O 3.57Å; S69-S85 VanDerWaalsContact CA-O 3.26Å; S69-S85 WeakPolarHBondContact CA-O 3.41Å |
| 70 | R | 97.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 77.4 Ų | 77.4 | 18% | 0.181 | 42% | 0.417 | C | S | . | . | trans | -141.6 | 159.9 | 169.9 | 59.5 | 177 | 178.4 | 178.2 | 0.5 | 108.3 | W48 W51 D84 S85 | W48-R70 HydrophobicContact CD2-CG 4.17Å; W48-R70 HydrophobicContact CE3-CB 4.26Å; W48-R70 HydrophobicContact CE3-CG 3.51Å; W48-R70 HydrophobicContact CZ3-CG 3.81Å; W51-R70 HydrophobicContact CD2-CB 4.11Å; W51-R70 HydrophobicContact CD2-CG 4.05Å; W51-R70 HydrophobicContact CE3-CB 3.8Å; W51-R70 HydrophobicContact CE3-CG 3.74Å; W51-R70 HydrophobicContact CH2-CG 3.72Å; W51-R70 VanDerWaalsContact CZ2-CD 3.48Å; W51-R70 HydrophobicContact CZ2-CG 4.03Å; W51-R70 VanDerWaalsContact CZ2-CZ 3.47Å; W51-R70 HydrophobicContact CZ3-CB 4.11Å; W51-R70 HydrophobicContact CZ3-CG 3.58Å; R70-D84 PolarHBondContact NE-O 3.14Å; R70-D84 PolarHBondContact NH2-O 2.81Å; R70-S85 PolarHBondContact N-O 3.1Å | ||
| 71 | R | 95.9 | Very high | 93.3 | Very high | 194 Ų | 194 | 72.5 Ų | 72.5 | 73% | 0.732 | 38% | 0.382 | S | S | * | . | trans | -112.9 | 145.1 | 179 | -63.3 | -178.3 | -176.9 | 174 | 0.7 | 109.7 | W48 T49 | W48-R71 VanDerWaalsContact CE3-C 3.45Å; T49-R71 HydrophobicContact CG2-CB 3.97Å; T49-R71 WeakPolarHBondContact CG2-O 3.43Å; T49-R71 PolarHBondContact N-O 2.91Å; T49-R71 PolarHBondContact OG1-N 2.84Å; T49-R71 PolarHBondContact OG1-O 2.78Å | ||
| 72 | C | 95.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 77.5 Ų | 77.5 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119 | 169.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | W48 C81 | W48-C72 HydrophobicContact CE3-CB 4.04Å; W48-C72 HydrophobicContact CH2-CB 4.1Å; W48-C72 HydrophobicContact CZ3-CB 3.73Å; C72-C81 WeakPolarHBondContact CA-SG 3.24Å; C72-C81 HydrophobicContact CB-CB 3.69Å; C72-C81 WeakPolarHBondContact CB-SG 3.1Å; C72-C81 WeakPolarHBondContact SG-CB 3.38Å; C72-C81 PolarHBondContact SG-N 3.44Å; C72-C81 CovalentContact SG-SG 2.03Å; C72-C81 PolarHBondContact SG-SG 2.82Å |
| 73 | L | 93.6 | Very high | 92.9 | Very high | 96 Ų | 96 | 79.7 Ų | 79.7 | 50% | 0.503 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.7 | 171.7 | -55.7 | -178.4 | 0 | 0 | 0 | 108.1 | E47 T49 | E47-L73 PolarHBondContact N-O 2.79Å; E47-L73 WeakPolarHBondContact O-CB 3.46Å; E47-L73 PolarHBondContact O-N 2.02Å; T49-L73 HydrophobicContact CG2-CD1 3.98Å; T49-L73 HydrophobicContact CG2-CD2 3.82Å; T49-L73 HydrophobicContact CG2-CG 3.76Å |
| 74 | R | 90.9 | Very high | 92.9 | Very high | 129 Ų | 129 | 77.6 Ų | 77.6 | 49% | 0.487 | 42% | 0.421 | S | S | . | . | trans | -156.1 | 155.1 | 178.5 | 68.4 | 179.5 | -176.5 | 84.2 | 3.7 | 110.7 | E78 | R74-E78 WeakPolarHBondContact CA-OE2 3.29Å; R74-E78 HydrophobicContact CB-CB 4.18Å; R74-E78 PolarHBondContact NH1-O 2.95Å; R74-E78 VanDerWaalsContact NH1-O 3.13Å | ||
| 75 | L | 87.8 | Confident | 93 | Very high | 110 Ų | 110 | 79.7 Ų | 79.7 | 58% | 0.576 | 44% | 0.435 | S | S | * | . | trans | -78.7 | 158.9 | 169.8 | -60.4 | 177.8 | 0 | 0 | 0 | 111.4 | G77 E78 | L75-G77 PolarHBondContact O-N 2.87Å; L75-E78 HydrophobicContact CB-CG 3.99Å; L75-E78 WeakPolarHBondContact CD1-OE1 3.33Å; L75-E78 PolarHBondContact N-OE2 2.98Å; L75-E78 WeakPolarHBondContact O-CB 3.31Å; L75-E78 PolarHBondContact O-N 3.23Å; L75-E78 VanDerWaalsContact O-N 3.16Å | ||
| 76 | P | 87.1 | Confident | 93 | Very high | 127 Ų | 127 | 81 Ų | 81 | 83% | 0.825 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 129.4 | 168.9 | -22.2 | 33.7 | 0 | 0 | 0 | 110.8 | ||
| 77 | G | 84.8 | Confident | 93 | Very high | 85 Ų | 85 | 84.2 Ų | 84.2 | 88% | 0.876 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -12.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L75 | L75-G77 PolarHBondContact O-N 2.87Š|
| 78 | E | 87.9 | Confident | 93 | Very high | 84 Ų | 84 | 89.7 Ų | 89.7 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -78.3 | 150.2 | 171.1 | -70 | 177.5 | 176.2 | 0 | 0 | 111.8 | R74 L75 | R74-E78 WeakPolarHBondContact CA-OE2 3.29Å; R74-E78 HydrophobicContact CB-CB 4.18Å; R74-E78 PolarHBondContact NH1-O 2.95Å; R74-E78 VanDerWaalsContact NH1-O 3.13Å; L75-E78 HydrophobicContact CB-CG 3.99Å; L75-E78 WeakPolarHBondContact CD1-OE1 3.33Å; L75-E78 PolarHBondContact N-OE2 2.98Å; L75-E78 WeakPolarHBondContact O-CB 3.31Å; L75-E78 PolarHBondContact O-N 3.23Å; L75-E78 VanDerWaalsContact O-N 3.16Å |
| 79 | E | 87.3 | Confident | 92.9 | Very high | 114 Ų | 114 | 92.5 Ų | 92.5 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 145.7 | 175 | -78.5 | -140.1 | 174.3 | 0 | 0 | 112.1 | P45 | P45-E79 HydrophobicContact CG-CB 3.51Š|
| 80 | P | 87.8 | Confident | 92.9 | Very high | 76 Ų | 76 | 96.5 Ų | 96.5 | 49% | 0.494 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 154.2 | 178.1 | 30.6 | -34.6 | 0 | 0 | 0 | 111.6 | W82 | P80-W82 PolarHBondContact O-N 3.41Š|
| 81 | C | 91.8 | Very high | 92.9 | Very high | 11 Ų | 11 | 95.2 Ų | 95.2 | 7% | 0.074 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 137.2 | 169.9 | -54.6 | 0 | 0 | 0 | 0 | 109.8 | G46 W48 C72 | G46-C81 PolarHBondContact O-SG 3.46Å; W48-C81 HydrophobicContact CD2-CB 3.78Å; W48-C81 HydrophobicContact CE3-CB 4.35Å; W48-C81 HydrophobicContact CG-CB 4.29Å; W48-C81 HydrophobicContact CH2-CB 3.98Å; W48-C81 HydrophobicContact CZ2-CB 3.35Å; W48-C81 HydrophobicContact CZ3-CB 4.44Å; C72-C81 WeakPolarHBondContact CA-SG 3.24Å; C72-C81 HydrophobicContact CB-CB 3.69Å; C72-C81 WeakPolarHBondContact CB-SG 3.1Å; C72-C81 WeakPolarHBondContact SG-CB 3.38Å; C72-C81 PolarHBondContact SG-N 3.44Å; C72-C81 CovalentContact SG-SG 2.03Å; C72-C81 PolarHBondContact SG-SG 2.82Å |
| 82 | W | 92.1 | Very high | 92.9 | Very high | 134 Ų | 134 | 91.9 Ų | 91.9 | 51% | 0.508 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -78.5 | 140.6 | 174.1 | -57.8 | -17.6 | 0 | 0 | 0 | 110.8 | A42 W48 P80 | A42-W82 HydrophobicContact CB-CE3 3.64Å; A42-W82 HydrophobicContact CB-CZ3 3.72Å; W48-W82 PolarHBondContact NE1-O 2.68Å; P80-W82 PolarHBondContact O-N 3.41Å |
| 83 | G | 91.4 | Very high | 93 | Very high | 57 Ų | 57 | 92.7 Ų | 92.7 | 59% | 0.588 | 49% | 0.49 | S | S | * | . | S | Bend | trans | 99.2 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W48 | W48-G83 WeakPolarHBondContact CZ2-O 3.19Š|
| 84 | D | 95 | Very high | 93.2 | Very high | 123 Ų | 123 | 93 Ų | 93 | 66% | 0.658 | 50% | 0.498 | S | S | * | . | trans | -81.3 | 143.2 | -171.8 | -60.6 | -51.4 | 0 | 0 | 0 | 112.8 | R70 H86 | R70-D84 PolarHBondContact NE-O 3.14Å; R70-D84 PolarHBondContact NH2-O 2.81Å; D84-H86 VanDerWaalsContact C-N 3.32Å; D84-H86 WeakPolarHBondContact CB-O 3.41Å | ||
| 85 | S | 96.2 | Very high | 93.5 | Very high | 50 Ų | 50 | 93.6 Ų | 93.6 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -82.8 | -12.2 | 171.6 | 55.7 | 0 | 0 | 0 | 0 | 113 | S69 R70 | S69-S85 CarbonylContact C-O 3.57Å; S69-S85 VanDerWaalsContact CA-O 3.26Å; S69-S85 WeakPolarHBondContact CA-O 3.41Å; R70-S85 PolarHBondContact N-O 3.1Å |
| 86 | H | 97.8 | Very high | 93.8 | Very high | 83 Ų | 83 | 91.1 Ų | 91.1 | 38% | 0.384 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 146.1 | -176.7 | -66 | 78.1 | 0 | 0 | 0 | 110.4 | R68 D84 Y88 | R68-H86 WeakPolarHBondContact O-CA 3.1Å; D84-H86 VanDerWaalsContact C-N 3.32Å; D84-H86 WeakPolarHBondContact CB-O 3.41Å; H86-Y88 HydrophobicContact CB-CE2 3.95Å |
| 87 | E | 98.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 89.2 Ų | 89.2 | 31% | 0.313 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 144 | 172.9 | -166 | -176 | 138.5 | 0 | 0 | 109.2 | W51 W54 V67 R68 | W51-E87 HydrophobicContact CH2-CB 3.87Å; W51-E87 HydrophobicContact CZ2-CB 4.45Å; W51-E87 HydrophobicContact CZ3-CB 4.04Å; W54-E87 HydrophobicContact CH2-CB 4.04Å; W54-E87 HydrophobicContact CH2-CG 3.83Å; W54-E87 HydrophobicContact CZ2-CG 4.49Å; W54-E87 VanDerWaalsContact CZ3-O 3.29Å; W54-E87 WeakPolarHBondContact CZ3-O 3.31Å; V67-E87 WeakPolarHBondContact CA-O 3.46Å; R68-E87 HydrophobicContact CG-CB 3.84Å; R68-E87 IonicContact CZ-OE1 3.46Å; R68-E87 IonicContact CZ-OE2 3.07Å; R68-E87 PolarHBondContact N-O 2.9Å; R68-E87 VanDerWaalsContact NE-CD 3.31Å; R68-E87 IonicContact NE-OE1 3.53Å; R68-E87 IonicContact NE-OE2 2.81Å; R68-E87 PolarHBondContact NE-OE2 2.86Å; R68-E87 IonicContact NH2-OE1 2.83Å; R68-E87 PolarHBondContact NH2-OE1 3.05Å; R68-E87 IonicContact NH2-OE2 2.59Å; R68-E87 PolarHBondContact NH2-OE2 3.37Å; R68-E87 PolarHBondContact O-N 2.95Å |
| 88 | Y | 97.8 | Very high | 94.8 | Very high | 153 Ų | 153 | 91.7 Ų | 91.7 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139.9 | -174.5 | -58.6 | -93 | 0 | 0 | 0 | 109.3 | V65 V67 H86 | V65-Y88 HydrophobicContact CG1-CD1 4Å; V67-Y88 HydrophobicContact CB-CD1 4.41Å; V67-Y88 HydrophobicContact CB-CE1 4.45Å; V67-Y88 HydrophobicContact CG1-CD1 4.13Å; V67-Y88 HydrophobicContact CG1-CE1 3.86Å; V67-Y88 HydrophobicContact CG2-CD1 3.62Å; V67-Y88 HydrophobicContact CG2-CE1 3.72Å; H86-Y88 HydrophobicContact CB-CE2 3.95Å |
| 89 | R | 97.8 | Very high | 95.1 | Very high | 120 Ų | 120 | 91.4 Ų | 91.4 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149 | 169.8 | 70.7 | -179.5 | -180 | 169.8 | 3.8 | 110.9 | W54 V65 S66 | W54-R89 VanDerWaalsContact CD1-CZ 3.44Å; W54-R89 HydrophobicContact CD2-CG 4.19Å; W54-R89 VanDerWaalsContact CD2-NE 3.31Å; W54-R89 HydrophobicContact CE3-CG 3.79Å; W54-R89 HydrophobicContact CH2-CB 3.88Å; W54-R89 HydrophobicContact CH2-CG 3.85Å; W54-R89 HydrophobicContact CZ2-CB 4.41Å; W54-R89 HydrophobicContact CZ2-CG 4.24Å; W54-R89 HydrophobicContact CZ3-CB 4.02Å; W54-R89 HydrophobicContact CZ3-CG 3.61Å; V65-R89 WeakPolarHBondContact CA-O 3.39Å; S66-R89 PolarHBondContact N-O 2.05Å; S66-R89 PolarHBondContact O-N 2.92Å |
| 90 | L | 97.7 | Very high | 95.4 | Very high | 126 Ų | 126 | 88.4 Ų | 88.4 | 66% | 0.66 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.9 | 168.2 | -65.7 | 176.2 | 0 | 0 | 0 | 109.5 | R63 V65 | R63-L90 HydrophobicContact CG-CD2 4.48Å; V65-L90 HydrophobicContact CG2-CD2 4.26Å |
| 91 | C | 97.2 | Very high | 95.5 | Very high | 22 Ų | 22 | 88.8 Ų | 88.8 | 15% | 0.149 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.1 | 168.2 | 39.3 | 0 | 0 | 0 | 0 | 109 | C57 G64 V65 | C57-C91 WeakPolarHBondContact CA-SG 3.21Å; C57-C91 HydrophobicContact CB-CB 3.85Å; C57-C91 WeakPolarHBondContact CB-SG 3.48Å; C57-C91 WeakPolarHBondContact SG-CB 3.47Å; C57-C91 CovalentContact SG-SG 2.02Å; C57-C91 PolarHBondContact SG-SG 3.03Å; G64-C91 PolarHBondContact N-O 2.83Å; G64-C91 PolarHBondContact O-N 2.59Å; G64-C91 PolarHBondContact O-SG 3.4Å; G64-C91 VanDerWaalsContact O-SG 3.4Å; V65-C91 PolarHBondContact N-SG 3.34Å |
| 92 | Q | 96.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 92 Ų | 92 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.5 | 178.4 | -167.2 | 73.5 | 37.9 | 0 | 0 | 108 | ||
| 93 | L | 96.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 29% | 0.288 | 53% | 0.533 | S | S | . | . | trans | -112.3 | 169.5 | 178.5 | -69.6 | 148.1 | 0 | 0 | 0 | 108.9 | C57 S59 G62 | C57-L93 HydrophobicContact CB-CD1 3.8Å; C57-L93 VanDerWaalsContact SG-CD1 3.53Å; S59-L93 WeakPolarHBondContact O-CD1 3.39Å; G62-L93 WeakPolarHBondContact O-CB 3.37Å; G62-L93 PolarHBondContact O-N 3.44Å | ||
| 94 | P | 97.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 92.6 Ų | 92.6 | 68% | 0.675 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -52.3 | 148.3 | 169.8 | -26 | 35.7 | 0 | 0 | 0 | 111.7 | C61 G62 | C61-P94 CarbonylContact C-O 3.54Å; C61-P94 WeakPolarHBondContact CA-O 3.48Å; C61-P94 WeakPolarHBondContact CB-O 3.23Å; G62-P94 PolarHBondContact N-O 2.91Å |
| 95 | D | 96.5 | Very high | 95.7 | Very high | 140 Ų | 140 | 89.7 Ų | 89.7 | 75% | 0.749 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -56 | 149.1 | -178.6 | -67.7 | -39.8 | 0 | 0 | 0 | 112.2 | ||
| 96 | C | 95.8 | Very high | 95.6 | Very high | 59 Ų | 59 | 91.4 Ų | 91.4 | 40% | 0.399 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 146 | 177.9 | -65.5 | 0 | 0 | 0 | 0 | 110.9 | C61 A100 | C61-C96 VanDerWaalsContact C-SG 3.51Å; C61-C96 HydrophobicContact CB-CB 3.91Å; C61-C96 WeakPolarHBondContact CB-SG 2.99Å; C61-C96 WeakPolarHBondContact SG-CA 3.48Å; C61-C96 WeakPolarHBondContact SG-CB 3.28Å; C61-C96 CovalentContact SG-SG 2.04Å; C61-C96 PolarHBondContact SG-SG 2.92Å; C96-A100 HydrophobicContact CB-CB 3.8Å |
| 97 | P | 96.6 | Very high | 95.5 | Very high | 86 Ų | 86 | 90.2 Ų | 90.2 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 151.9 | 178.3 | 25.4 | -33.5 | 0 | 0 | 0 | 110.9 | G99 A100 | P97-G99 PolarHBondContact O-N 2.78Å; P97-A100 HydrophobicContact CG-CB 4.28Å; P97-A100 VanDerWaalsContact O-CB 3.22Å; P97-A100 WeakPolarHBondContact O-CB 3.35Å; P97-A100 PolarHBondContact O-N 2.83Å |
| 98 | P | 96 | Very high | 95.4 | Very high | 137 Ų | 137 | 87 Ų | 87 | 89% | 0.89 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 134.7 | 174.8 | -24.5 | 33.7 | 0 | 0 | 0 | 111.3 | A100 | P98-A100 VanDerWaalsContact C-N 3.3Å; P98-A100 PolarHBondContact O-N 2.91Å |
| 99 | G | 93.4 | Very high | 95.4 | Very high | 79 Ų | 79 | 81.7 Ų | 81.7 | 81% | 0.814 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.3 | 5.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P97 V101 | P97-G99 PolarHBondContact O-N 2.78Å; G99-V101 PolarHBondContact O-N 3Å |
| 100 | A | 93 | Very high | 95.3 | Very high | 50 Ų | 50 | 81.6 Ų | 81.6 | 41% | 0.413 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 128 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | C96 P97 P98 | C96-A100 HydrophobicContact CB-CB 3.8Å; P97-A100 HydrophobicContact CG-CB 4.28Å; P97-A100 VanDerWaalsContact O-CB 3.22Å; P97-A100 WeakPolarHBondContact O-CB 3.35Å; P97-A100 PolarHBondContact O-N 2.83Å; P98-A100 VanDerWaalsContact C-N 3.3Å; P98-A100 PolarHBondContact O-N 2.91Å |
| 101 | V | 91.8 | Very high | 95.1 | Very high | 85 Ų | 85 | 81.7 Ų | 81.7 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -80.2 | 130 | 177.8 | -176 | 0 | 0 | 0 | 0 | 108.9 | G99 D105 L106 | G99-V101 PolarHBondContact O-N 3Å; V101-D105 HydrophobicContact CG1-CB 3.78Å; V101-L106 HydrophobicContact CB-CD2 3.97Å; V101-L106 HydrophobicContact CB-CG 4.1Å; V101-L106 HydrophobicContact CG1-CD2 3.72Å; V101-L106 HydrophobicContact CG1-CG 3.77Å |
| 102 | P | 91.6 | Very high | 95.1 | Very high | 79 Ų | 79 | 83 Ų | 83 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -64 | 150.7 | 177.2 | -12.9 | 25.2 | 0 | 0 | 0 | 111.5 | R104 D105 L106 | P102-R104 VanDerWaalsContact C-N 3.34Å; P102-R104 PolarHBondContact O-N 2.93Å; P102-D105 WeakPolarHBondContact CB-OD2 3.26Å; P102-D105 WeakPolarHBondContact CD-OD2 3.39Å; P102-D105 WeakPolarHBondContact CG-OD2 3.34Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 3.47Å; P102-L106 PolarHBondContact O-N 3.05Å |
| 103 | F | 91.7 | Very high | 94.9 | Very high | 147 Ų | 147 | 79.2 Ų | 79.2 | 65% | 0.645 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.9 | -36.4 | -171.4 | -170.7 | -114.4 | 0 | 0 | 0 | 113.3 | D105 L106 Q107 | F103-D105 VanDerWaalsContact C-N 3.33Å; F103-D105 PolarHBondContact O-N 2.95Å; F103-L106 PolarHBondContact O-N 2.72Å; F103-Q107 HydrophobicContact CD1-CG 4.03Å; F103-Q107 HydrophobicContact CE1-CG 3.8Å; F103-Q107 VanDerWaalsContact CE1-NE2 3.28Å; F103-Q107 HydrophobicContact CE2-CG 4.49Å; F103-Q107 HydrophobicContact CG-CG 4.49Å; F103-Q107 HydrophobicContact CZ-CG 4.04Å; F103-Q107 VanDerWaalsContact O-CG 3.29Å; F103-Q107 WeakPolarHBondContact O-CG 3.46Å; F103-Q107 PolarHBondContact O-N 3.02Å |
| 104 | R | 93.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 83.9 Ų | 83.9 | 21% | 0.211 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 176.9 | -71.4 | 179.2 | 76.2 | 110.5 | -1.7 | 111.8 | P102 Q107 C108 P127 F128 Q134 D136 | P102-R104 VanDerWaalsContact C-N 3.34Å; P102-R104 PolarHBondContact O-N 2.93Å; R104-Q107 PolarHBondContact O-N 2.7Å; R104-C108 PolarHBondContact O-N 3.33Å; R104-P127 HydrophobicContact CB-CB 4.06Å; R104-P127 HydrophobicContact CB-CG 3.86Å; R104-F128 PolarHBondContact NH2-O 2.77Å; R104-Q134 PolarHBondContact NH1-O 3.07Å; R104-D136 PolarHBondContact NH2-O 3.44Å |
| 105 | D | 95.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 82.5 Ų | 82.5 | 33% | 0.326 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176.5 | -60.1 | -90.1 | 0 | 0 | 0 | 110.9 | V101 P102 F103 Q107 C108 A109 P127 | V101-D105 HydrophobicContact CG1-CB 3.78Å; P102-D105 WeakPolarHBondContact CB-OD2 3.26Å; P102-D105 WeakPolarHBondContact CD-OD2 3.39Å; P102-D105 WeakPolarHBondContact CG-OD2 3.34Å; P102-D105 WeakPolarHBondContact O-CB 3.42Å; P102-D105 PolarHBondContact O-N 3.47Å; F103-D105 VanDerWaalsContact C-N 3.33Å; F103-D105 PolarHBondContact O-N 2.95Å; D105-Q107 PolarHBondContact O-N 2.03Å; D105-C108 PolarHBondContact O-N 3.09Å; D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 3.3Å; D105-P127 HydrophobicContact CB-CG 4.3Å; D105-P127 WeakPolarHBondContact OD1-CD 3.44Å |
| 106 | L | 94.4 | Very high | 94.2 | Very high | 87 Ų | 87 | 78.4 Ų | 78.4 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 174.6 | -66.5 | 175.6 | 0 | 0 | 0 | 111.7 | V101 P102 F103 C108 A109 L110 | V101-L106 HydrophobicContact CB-CD2 3.97Å; V101-L106 HydrophobicContact CB-CG 4.1Å; V101-L106 HydrophobicContact CG1-CD2 3.72Å; V101-L106 HydrophobicContact CG1-CG 3.77Å; P102-L106 PolarHBondContact O-N 3.05Å; F103-L106 PolarHBondContact O-N 2.72Å; L106-C108 PolarHBondContact O-N 3.34Å; L106-A109 PolarHBondContact O-N 2.8Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.33Å; L106-L110 VanDerWaalsContact O-N 3.13Å |
| 107 | Q | 95.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 83.9 Ų | 83.9 | 27% | 0.271 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | -179.1 | -71 | 177 | -61.1 | 0 | 0 | 112.6 | F103 R104 D105 L137 | F103-Q107 HydrophobicContact CD1-CG 4.03Å; F103-Q107 HydrophobicContact CE1-CG 3.8Å; F103-Q107 VanDerWaalsContact CE1-NE2 3.28Å; F103-Q107 HydrophobicContact CE2-CG 4.49Å; F103-Q107 HydrophobicContact CG-CG 4.49Å; F103-Q107 HydrophobicContact CZ-CG 4.04Å; F103-Q107 VanDerWaalsContact O-CG 3.29Å; F103-Q107 WeakPolarHBondContact O-CG 3.46Å; F103-Q107 PolarHBondContact O-N 3.02Å; R104-Q107 PolarHBondContact O-N 2.7Å; D105-Q107 PolarHBondContact O-N 2.03Å; Q107-L137 HydrophobicContact CB-CD1 3.82Å; Q107-L137 HydrophobicContact CB-CD2 3.63Å; Q107-L137 HydrophobicContact CB-CG 4.39Å |
| 108 | C | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 174.2 | -69.6 | 0 | 0 | 0 | 0 | 111.2 | R104 D105 L106 L110 Y111 W125 C139 | R104-C108 PolarHBondContact O-N 3.33Å; D105-C108 PolarHBondContact O-N 3.09Å; L106-C108 PolarHBondContact O-N 3.34Å; C108-L110 PolarHBondContact O-N 2.79Å; C108-L110 VanDerWaalsContact O-N 3.11Å; C108-Y111 PolarHBondContact O-N 3.13Å; C108-W125 HydrophobicContact CB-CB 4.01Å; C108-W125 WeakPolarHBondContact O-CB 3.25Å; C108-C139 WeakPolarHBondContact CA-SG 3.03Å; C108-C139 HydrophobicContact CB-CB 3.9Å; C108-C139 WeakPolarHBondContact CB-SG 2.97Å; C108-C139 WeakPolarHBondContact SG-CB 3.27Å; C108-C139 CovalentContact SG-SG 2.05Å; C108-C139 PolarHBondContact SG-SG 3.36Å |
| 109 | A | 96.8 | Very high | 93 | Very high | 41 Ų | 41 | 80.7 Ų | 80.7 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -22.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D105 L106 Y111 N112 | D105-A109 WeakPolarHBondContact O-CB 3.47Å; D105-A109 PolarHBondContact O-N 3.3Å; L106-A109 PolarHBondContact O-N 2.8Å; A109-Y111 PolarHBondContact O-N 3.38Å; A109-N112 WeakPolarHBondContact CA-ND2 3.43Å; A109-N112 WeakPolarHBondContact O-CB 3.43Å; A109-N112 PolarHBondContact O-N 3.16Å |
| 110 | L | 96.2 | Very high | 92.9 | Very high | 117 Ų | 117 | 85.2 Ų | 85.2 | 61% | 0.613 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.7 | 172.2 | -71.5 | 174.1 | 0 | 0 | 0 | 113.7 | L106 C108 R114 | L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 3.33Å; L106-L110 VanDerWaalsContact O-N 3.13Å; C108-L110 PolarHBondContact O-N 2.79Å; C108-L110 VanDerWaalsContact O-N 3.11Å; L110-R114 PolarHBondContact O-NE 2.88Å |
| 111 | Y | 94.6 | Very high | 92.9 | Very high | 129 Ų | 129 | 89.2 Ų | 89.2 | 51% | 0.506 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -0.9 | 179.6 | -63.1 | -88.4 | 0 | 0 | 0 | 113.6 | C108 A109 G113 R114 W125 | C108-Y111 PolarHBondContact O-N 3.13Å; A109-Y111 PolarHBondContact O-N 3.38Å; Y111-G113 PolarHBondContact O-N 2.91Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.4Å; Y111-W125 VanDerWaalsContact C-CD1 3.44Å; Y111-W125 PolarHBondContact O-NE1 3.46Å |
| 112 | N | 95.6 | Very high | 93.1 | Very high | 48 Ų | 48 | 89 Ų | 89 | 26% | 0.257 | 48% | 0.482 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 138.2 | 178.9 | -65.2 | -3.7 | 0 | 0 | 0 | 110.6 | A109 R114 Y123 Q124 W125 | A109-N112 WeakPolarHBondContact CA-ND2 3.43Å; A109-N112 WeakPolarHBondContact O-CB 3.43Å; A109-N112 PolarHBondContact O-N 3.16Å; N112-R114 PolarHBondContact O-N 3.38Å; N112-R114 VanDerWaalsContact O-N 3.11Å; N112-Y123 WeakPolarHBondContact CA-O 3.47Å; N112-Q124 VanDerWaalsContact CG-OE1 3.22Å; N112-Q124 PolarHBondContact ND2-OE1 3.02Å; N112-W125 WeakPolarHBondContact OD1-CB 3.49Å; N112-W125 PolarHBondContact OD1-N 2.87Å |
| 113 | G | 94 | Very high | 93.2 | Very high | 46 Ų | 46 | 89 Ų | 89 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -2.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y111 T122 Y123 | Y111-G113 PolarHBondContact O-N 2.91Å; G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.39Å; G113-Y123 PolarHBondContact N-O 2.88Å |
| 114 | R | 93.3 | Very high | 93.5 | Very high | 153 Ų | 153 | 88.2 Ų | 88.2 | 58% | 0.577 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -79.2 | 133.2 | 172.1 | -60.3 | -173.8 | -175 | -108.1 | -1.3 | 109.7 | L110 Y111 N112 | L110-R114 PolarHBondContact O-NE 2.88Å; Y111-R114 WeakPolarHBondContact O-CB 3.21Å; Y111-R114 PolarHBondContact O-N 3.4Å; N112-R114 PolarHBondContact O-N 3.38Å; N112-R114 VanDerWaalsContact O-N 3.11Å |
| 115 | P | 91.7 | Very high | 93.6 | Very high | 75 Ų | 75 | 88.5 Ų | 88.5 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 137.7 | 178.2 | 27.2 | -32.9 | 0 | 0 | 0 | 110.7 | K121 | P115-K121 WeakPolarHBondContact CA-O 3.4Š|
| 116 | V | 89.1 | Confident | 93.7 | Very high | 53 Ų | 53 | 89.3 Ų | 89.3 | 32% | 0.321 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 131.8 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | G118 T119 K121 Y123 W125 | V116-G118 PolarHBondContact O-N 3.37Å; V116-T119 CarbonylContact O-C 3.53Å; V116-T119 PolarHBondContact O-N 2.85Å; V116-T119 PolarHBondContact O-OG1 3.11Å; V116-K121 PolarHBondContact N-O 2.86Å; V116-K121 VanDerWaalsContact N-O 3.08Å; V116-Y123 HydrophobicContact CG2-CD2 3.64Å; V116-Y123 HydrophobicContact CG2-CE2 3.66Å; V116-W125 HydrophobicContact CG2-CH2 4.45Å; V116-W125 HydrophobicContact CG2-CZ2 3.91Å |
| 117 | L | 87.3 | Confident | 93.8 | Very high | 175 Ų | 175 | 86.1 Ų | 86.1 | 92% | 0.916 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.3 | 126.4 | 180 | -65.4 | 175.3 | 0 | 0 | 0 | 111.4 | ||
| 118 | G | 87.6 | Confident | 93.8 | Very high | 89 Ų | 89 | 87 Ų | 87 | 92% | 0.918 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.6 | -0.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | V116 | V116-G118 PolarHBondContact O-N 3.37Š|
| 119 | T | 88.8 | Confident | 93.7 | Very high | 66 Ų | 66 | 93.3 Ų | 93.3 | 41% | 0.405 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -140.9 | 160.2 | 174 | 74.7 | 0 | 0 | 0 | 0 | 111.5 | V116 K121 | V116-T119 CarbonylContact O-C 3.53Å; V116-T119 PolarHBondContact O-N 2.85Å; V116-T119 PolarHBondContact O-OG1 3.11Å; T119-K121 VanDerWaalsContact C-N 3.27Å; T119-K121 PolarHBondContact OG1-N 3.41Å |
| 120 | Q | 90.9 | Very high | 93.7 | Very high | 175 Ų | 175 | 94.1 Ų | 94.1 | 82% | 0.818 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -90.5 | 11 | 170 | -156.8 | 65.1 | 15.3 | 0 | 0 | 112.3 | ||
| 121 | K | 93.4 | Very high | 93.6 | Very high | 133 Ų | 133 | 89.2 Ų | 89.2 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | trans | -79.4 | 142.4 | -177.8 | -66.2 | -174.3 | -179.5 | -179.7 | 0 | 110.3 | P115 V116 T119 Y123 | P115-K121 WeakPolarHBondContact CA-O 3.4Å; V116-K121 PolarHBondContact N-O 2.86Å; V116-K121 VanDerWaalsContact N-O 3.08Å; T119-K121 VanDerWaalsContact C-N 3.27Å; T119-K121 PolarHBondContact OG1-N 3.41Å; K121-Y123 HydrophobicContact CB-CE2 3.8Å; K121-Y123 WeakPolarHBondContact CD-OH 3.32Å | ||
| 122 | T | 95.3 | Very high | 93.6 | Very high | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | trans | -123 | 154.1 | 176.3 | 59.8 | 0 | 0 | 0 | 0 | 109.4 | G113 | G113-T122 VanDerWaalsContact O-CG2 3.31Å; G113-T122 WeakPolarHBondContact O-CG2 3.39Å | ||
| 123 | Y | 95.1 | Very high | 93.6 | Very high | 81 Ų | 81 | 91 Ų | 91 | 32% | 0.318 | 51% | 0.51 | S | S | . | . | trans | -139.2 | 167 | -173 | -62.4 | -85.8 | 0 | 0 | 0 | 111.4 | N112 G113 V116 K121 W125 A141 | N112-Y123 WeakPolarHBondContact CA-O 3.47Å; G113-Y123 PolarHBondContact N-O 2.88Å; V116-Y123 HydrophobicContact CG2-CD2 3.64Å; V116-Y123 HydrophobicContact CG2-CE2 3.66Å; K121-Y123 HydrophobicContact CB-CE2 3.8Å; K121-Y123 WeakPolarHBondContact CD-OH 3.32Å; Y123-W125 HydrophobicContact CD2-CZ2 4.41Å; Y123-A141 HydrophobicContact CD1-CB 3.67Å; Y123-A141 HydrophobicContact CD2-CB 4.19Å; Y123-A141 HydrophobicContact CE1-CB 4.29Å; Y123-A141 HydrophobicContact CG-CB 3.6Å | ||
| 124 | Q | 96.6 | Very high | 93.5 | Very high | 129 Ų | 129 | 95.9 Ų | 95.9 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | trans | -107.7 | 105.1 | 168.6 | -66.2 | -67.4 | -27.1 | 0 | 0 | 107.4 | N112 | N112-Q124 VanDerWaalsContact CG-OE1 3.22Å; N112-Q124 PolarHBondContact ND2-OE1 3.02Å | ||
| 125 | W | 96.8 | Very high | 93.4 | Very high | 62 Ų | 62 | 94.3 Ų | 94.3 | 24% | 0.235 | 53% | 0.532 | C | S | . | . | trans | -82.5 | 131.3 | -173.2 | -60.7 | 90.4 | 0 | 0 | 0 | 111.2 | C108 Y111 N112 V116 Y123 C139 L140 A141 | C108-W125 HydrophobicContact CB-CB 4.01Å; C108-W125 WeakPolarHBondContact O-CB 3.25Å; Y111-W125 VanDerWaalsContact C-CD1 3.44Å; Y111-W125 PolarHBondContact O-NE1 3.46Å; N112-W125 WeakPolarHBondContact OD1-CB 3.49Å; N112-W125 PolarHBondContact OD1-N 2.87Å; V116-W125 HydrophobicContact CG2-CH2 4.45Å; V116-W125 HydrophobicContact CG2-CZ2 3.91Å; Y123-W125 HydrophobicContact CD2-CZ2 4.41Å; W125-C139 HydrophobicContact CB-CB 4.21Å; W125-C139 HydrophobicContact CE3-CB 3.86Å; W125-L140 CarbonylContact C-O 3.5Å; W125-L140 VanDerWaalsContact CA-O 3.23Å; W125-L140 WeakPolarHBondContact CA-O 3.45Å; W125-A141 HydrophobicContact CD2-CB 4.35Å; W125-A141 HydrophobicContact CE3-CB 3.92Å; W125-A141 HydrophobicContact CH2-CB 3.94Å; W125-A141 HydrophobicContact CZ2-CB 4.35Å; W125-A141 HydrophobicContact CZ3-CB 3.71Å | ||
| 126 | V | 96.9 | Very high | 93.6 | Very high | 79 Ų | 79 | 94.7 Ų | 94.7 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 153.8 | 177.2 | -63 | 0 | 0 | 0 | 0 | 111.2 | F128 C139 L140 | V126-F128 PolarHBondContact O-N 2.87Å; V126-C139 CarbonylContact O-C 3.53Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.35Å; V126-L140 HydrophobicContact CG2-CB 4.16Å; V126-L140 PolarHBondContact N-O 3.49Å; V126-L140 PolarHBondContact O-N 3.47Å |
| 127 | P | 97.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 95.5 Ų | 95.5 | 13% | 0.13 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 133.4 | 179.7 | -25.3 | 36.3 | 0 | 0 | 0 | 113.4 | R104 D105 | R104-P127 HydrophobicContact CB-CB 4.06Å; R104-P127 HydrophobicContact CB-CG 3.86Å; D105-P127 HydrophobicContact CB-CG 4.3Å; D105-P127 WeakPolarHBondContact OD1-CD 3.44Å |
| 128 | F | 96.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 89.8 Ų | 89.8 | 33% | 0.333 | 50% | 0.502 | S | S | . | . | trans | -98.2 | 128.3 | 167.3 | -171.7 | -127.2 | 0 | 0 | 0 | 110.5 | R104 V126 G130 A131 N138 L140 | R104-F128 PolarHBondContact NH2-O 2.77Å; V126-F128 PolarHBondContact O-N 2.87Å; F128-G130 VanDerWaalsContact CZ-CA 3.46Å; F128-A131 HydrophobicContact CD1-CB 4.07Å; F128-A131 HydrophobicContact CE1-CB 4.16Å; F128-A131 VanDerWaalsContact CE1-N 3.33Å; F128-N138 HydrophobicContact CB-CB 3.95Å; F128-N138 WeakPolarHBondContact CB-O 3.13Å; F128-N138 HydrophobicContact CD1-CB 4.09Å; F128-N138 PolarHBondContact N-O 3.24Å; F128-L140 HydrophobicContact CB-CD1 4.35Å; F128-L140 HydrophobicContact CB-CG 3.93Å; F128-L140 HydrophobicContact CD2-CD1 3.45Å; F128-L140 VanDerWaalsContact CD2-CD1 3.45Å; F128-L140 HydrophobicContact CD2-CD2 4.24Å; F128-L140 HydrophobicContact CD2-CG 3.82Å; F128-L140 HydrophobicContact CE2-CD1 4.11Å; F128-L140 HydrophobicContact CG-CD1 4.18Å; F128-L140 HydrophobicContact CG-CD2 4.38Å; F128-L140 HydrophobicContact CG-CG 4.04Å | ||
| 129 | H | 94.6 | Very high | 94.7 | Very high | 133 Ų | 133 | 87.3 Ų | 87.3 | 62% | 0.616 | 47% | 0.47 | S | S | * | . | trans | -107.9 | -3.5 | -179.9 | -67.6 | -87.5 | 0 | 0 | 0 | 113.8 | ||||
| 130 | G | 95.4 | Very high | 95 | Very high | 57 Ų | 57 | 88.4 Ų | 88.4 | 59% | 0.588 | 47% | 0.473 | S | S | * | . | trans | -88.5 | 5.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | F128 | F128-G130 VanDerWaalsContact CZ-CA 3.46Š| ||
| 131 | A | 94.8 | Very high | 95 | Very high | 15 Ų | 15 | 84 Ų | 84 | 12% | 0.124 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -75 | 147.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F128 N133 N138 | F128-A131 HydrophobicContact CD1-CB 4.07Å; F128-A131 HydrophobicContact CE1-CB 4.16Å; F128-A131 VanDerWaalsContact CE1-N 3.33Å; A131-N133 VanDerWaalsContact C-N 3.31Å; A131-N133 PolarHBondContact O-N 2.84Å; A131-N138 HydrophobicContact CB-CB 4.18Å; A131-N138 VanDerWaalsContact CB-ND2 3.28Å; A131-N138 WeakPolarHBondContact CB-ND2 3.27Å |
| 132 | P | 95.7 | Very high | 95.1 | Very high | 143 Ų | 143 | 81.6 Ų | 81.6 | 93% | 0.929 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -58.6 | -40 | 178.8 | -25.1 | 33.8 | 0 | 0 | 0 | 113.5 | ||
| 133 | N | 95.1 | Very high | 95 | Very high | 71 Ų | 71 | 81.7 Ų | 81.7 | 38% | 0.38 | 46% | 0.46 | S | S | . | . | trans | -95.8 | 105.1 | 172.1 | -174 | 0.6 | 0 | 0 | 0 | 109.9 | A131 C135 D136 | A131-N133 VanDerWaalsContact C-N 3.31Å; A131-N133 PolarHBondContact O-N 2.84Å; N133-C135 PolarHBondContact O-N 3.25Å; N133-C135 WeakPolarHBondContact OD1-CB 3.34Å; N133-C135 PolarHBondContact OD1-N 3.17Å; N133-D136 HydrophobicContact CB-CB 4.38Å; N133-D136 WeakPolarHBondContact CB-OD2 3.47Å; N133-D136 PolarHBondContact ND2-OD1 3.11Å; N133-D136 PolarHBondContact ND2-OD2 3.21Å; N133-D136 PolarHBondContact O-N 3.44Å | ||
| 134 | Q | 91.4 | Very high | 95 | Very high | 149 Ų | 149 | 81.7 Ų | 81.7 | 70% | 0.696 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.3 | -179.7 | -61.6 | -178.4 | 28.2 | 0 | 0 | 113 | R104 D136 | R104-Q134 PolarHBondContact NH1-O 3.07Å; Q134-D136 VanDerWaalsContact C-N 3.33Å |
| 135 | C | 91.1 | Very high | 95 | Very high | 119 Ų | 119 | 78.9 Ų | 78.9 | 80% | 0.804 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -23.5 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 112.3 | N133 | N133-C135 PolarHBondContact O-N 3.25Å; N133-C135 WeakPolarHBondContact OD1-CB 3.34Å; N133-C135 PolarHBondContact OD1-N 3.17Å |
| 136 | D | 95.5 | Very high | 94.8 | Very high | 84 Ų | 84 | 80 Ų | 80 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -74.6 | 137.2 | 176.3 | -67.5 | -21.5 | 0 | 0 | 0 | 110.4 | R104 N133 Q134 N138 | R104-D136 PolarHBondContact NH2-O 3.44Å; N133-D136 HydrophobicContact CB-CB 4.38Å; N133-D136 WeakPolarHBondContact CB-OD2 3.47Å; N133-D136 PolarHBondContact ND2-OD1 3.11Å; N133-D136 PolarHBondContact ND2-OD2 3.21Å; N133-D136 PolarHBondContact O-N 3.44Å; Q134-D136 VanDerWaalsContact C-N 3.33Å; D136-N138 WeakPolarHBondContact CB-ND2 3.33Å; D136-N138 PolarHBondContact O-N 3.19Å; D136-N138 VanDerWaalsContact O-N 3.1Å; D136-N138 PolarHBondContact O-ND2 3.1Å; D136-N138 VanDerWaalsContact O-ND2 3.14Å |
| 137 | L | 95.6 | Very high | 94.7 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 36% | 0.361 | 47% | 0.474 | S | S | . | . | trans | -74.1 | 102.8 | 170.6 | -177.1 | 71.4 | 0 | 0 | 0 | 108.7 | Q107 | Q107-L137 HydrophobicContact CB-CD1 3.82Å; Q107-L137 HydrophobicContact CB-CD2 3.63Å; Q107-L137 HydrophobicContact CB-CG 4.39Å | ||
| 138 | N | 96.4 | Very high | 94.5 | Very high | 56 Ų | 56 | 84.4 Ų | 84.4 | 30% | 0.299 | 50% | 0.499 | S | S | . | . | trans | -108.5 | 131.8 | 171.2 | -66 | -83.6 | 0 | 0 | 0 | 108.1 | F128 A131 D136 | F128-N138 HydrophobicContact CB-CB 3.95Å; F128-N138 WeakPolarHBondContact CB-O 3.13Å; F128-N138 HydrophobicContact CD1-CB 4.09Å; F128-N138 PolarHBondContact N-O 3.24Å; A131-N138 HydrophobicContact CB-CB 4.18Å; A131-N138 VanDerWaalsContact CB-ND2 3.28Å; A131-N138 WeakPolarHBondContact CB-ND2 3.27Å; D136-N138 WeakPolarHBondContact CB-ND2 3.33Å; D136-N138 PolarHBondContact O-N 3.19Å; D136-N138 VanDerWaalsContact O-N 3.1Å; D136-N138 PolarHBondContact O-ND2 3.1Å; D136-N138 VanDerWaalsContact O-ND2 3.14Å | ||
| 139 | C | 95.8 | Very high | 94.4 | Very high | 36 Ų | 36 | 85 Ų | 85 | 24% | 0.243 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.5 | 179.8 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | C108 W125 V126 | C108-C139 WeakPolarHBondContact CA-SG 3.03Å; C108-C139 HydrophobicContact CB-CB 3.9Å; C108-C139 WeakPolarHBondContact CB-SG 2.97Å; C108-C139 WeakPolarHBondContact SG-CB 3.27Å; C108-C139 CovalentContact SG-SG 2.05Å; C108-C139 PolarHBondContact SG-SG 3.36Å; W125-C139 HydrophobicContact CB-CB 4.21Å; W125-C139 HydrophobicContact CE3-CB 3.86Å; V126-C139 CarbonylContact O-C 3.53Å; V126-C139 VanDerWaalsContact O-CA 3.24Å; V126-C139 WeakPolarHBondContact O-CA 3.35Å |
| 140 | L | 95.1 | Very high | 94.3 | Very high | 89 Ų | 89 | 81 Ų | 81 | 47% | 0.466 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 145.3 | 170.3 | -70.2 | 174.4 | 0 | 0 | 0 | 109.8 | W125 V126 F128 | W125-L140 CarbonylContact C-O 3.5Å; W125-L140 VanDerWaalsContact CA-O 3.23Å; W125-L140 WeakPolarHBondContact CA-O 3.45Å; V126-L140 HydrophobicContact CG2-CB 4.16Å; V126-L140 PolarHBondContact N-O 3.49Å; V126-L140 PolarHBondContact O-N 3.47Å; F128-L140 HydrophobicContact CB-CD1 4.35Å; F128-L140 HydrophobicContact CB-CG 3.93Å; F128-L140 HydrophobicContact CD2-CD1 3.45Å; F128-L140 VanDerWaalsContact CD2-CD1 3.45Å; F128-L140 HydrophobicContact CD2-CD2 4.24Å; F128-L140 HydrophobicContact CD2-CG 3.82Å; F128-L140 HydrophobicContact CE2-CD1 4.11Å; F128-L140 HydrophobicContact CG-CD1 4.18Å; F128-L140 HydrophobicContact CG-CD2 4.38Å; F128-L140 HydrophobicContact CG-CG 4.04Å |
| 141 | A | 90.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 83.2 Ų | 83.2 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | trans | -96.5 | 0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y123 W125 | Y123-A141 HydrophobicContact CD1-CB 3.67Å; Y123-A141 HydrophobicContact CD2-CB 4.19Å; Y123-A141 HydrophobicContact CE1-CB 4.29Å; Y123-A141 HydrophobicContact CG-CB 3.6Å; W125-A141 HydrophobicContact CD2-CB 4.35Å; W125-A141 HydrophobicContact CE3-CB 3.92Å; W125-A141 HydrophobicContact CH2-CB 3.94Å; W125-A141 HydrophobicContact CZ2-CB 4.35Å; W125-A141 HydrophobicContact CZ3-CB 3.71Å |
Retrieved 141 of 141 residues in 60.9 ms
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