| 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 | 60.9 | Low | 54 | Low | 218 Ų | 218 | 162.4 Ų | 162.4 | 100% | 1.074 | 75% | 0.749 | S | S | * | * | 0 | 19.8 | 0 | -66 | -51.6 | -166.1 | 0 | 0 | 115.5 | |||||
| 2 | R | 58.3 | Low | 53.9 | Low | 227 Ų | 227 | 157.5 Ų | 157.5 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | trans | -119.6 | -14.1 | 172.4 | -73.7 | -179.1 | 170.4 | 145.4 | -2.6 | 114.7 | ||||
| 3 | F | 55.1 | Low | 54 | Low | 170 Ų | 170 | 156.2 Ų | 156.2 | 75% | 0.746 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -94 | -15.8 | 178.6 | -93.3 | -85.7 | 0 | 0 | 0 | 115 | W5 | F3-W5 VanDerWaalsContact C-N 3.32Š|
| 4 | L | 54.3 | Low | 53.9 | Low | 133 Ų | 133 | 152.9 Ų | 152.9 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -76.1 | -18.6 | 176 | -92.9 | 84.5 | 0 | 0 | 0 | 113.5 | ||
| 5 | W | 49.1 | Very low | 53.9 | Low | 203 Ų | 203 | 151.8 Ų | 151.8 | 77% | 0.769 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -81.4 | -26.8 | -177 | -147.8 | 41.2 | 0 | 0 | 0 | 112.9 | F3 | F3-W5 VanDerWaalsContact C-N 3.32Å |
| 6 | L | 52.8 | Low | 53.8 | Low | 113 Ų | 113 | 152.1 Ų | 152.1 | 59% | 0.592 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -74.7 | -29.5 | 176.5 | -72 | 168.8 | 0 | 0 | 0 | 112.7 | F8 | L6-F8 VanDerWaalsContact C-N 3.35Å |
| 7 | L | 51.3 | Low | 53.1 | Low | 120 Ų | 120 | 149.2 Ų | 149.2 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -73.5 | -26.4 | 175.4 | -80.9 | 161.8 | 0 | 0 | 0 | 112.7 | ||
| 8 | F | 52.7 | Low | 53 | Low | 164 Ų | 164 | 148 Ų | 148 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -76.1 | -28.4 | 177.4 | -143.1 | -93.2 | 0 | 0 | 0 | 112.6 | L6 | L6-F8 VanDerWaalsContact C-N 3.35Å |
| 9 | F | 53.6 | Low | 52.6 | Low | 158 Ų | 158 | 147 Ų | 147 | 69% | 0.693 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -78.7 | -21.6 | 178.3 | -105.4 | -85.4 | 0 | 0 | 0 | 114.1 | ||
| 10 | L | 53.3 | Low | 52.4 | Low | 130 Ų | 130 | 149.2 Ų | 149.2 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12 | 179.5 | -94.4 | 157 | 0 | 0 | 0 | 114.1 | ||
| 11 | L | 52.9 | Low | 52.3 | Low | 150 Ų | 150 | 147 Ų | 147 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -0.6 | -177.2 | -101.4 | 143.5 | 0 | 0 | 0 | 114.5 | ||
| 12 | C | 52.3 | Low | 51.3 | Low | 104 Ų | 104 | 145 Ų | 145 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | trans | -111.3 | 34 | 179.8 | -83.7 | 0 | 0 | 0 | 0 | 113.4 | P14 | C12-P14 WeakPolarHBondContact O-CD 3.31Š| ||
| 13 | L | 55.9 | Low | 50.9 | Low | 140 Ų | 140 | 145.9 Ų | 145.9 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | trans | -80.8 | 110.7 | 163.1 | -77 | 169.2 | 0 | 0 | 0 | 108.5 | V15 | L13-V15 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact O-N 3.17Å | ||
| 14 | P | 52.6 | Low | 50.1 | Low | 110 Ų | 110 | 145.6 Ų | 145.6 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | trans | -65.4 | 119.1 | 169.6 | 27.4 | -31.9 | 0 | 0 | 0 | 108.4 | C12 L16 | C12-P14 WeakPolarHBondContact O-CD 3.31Å; P14-L16 PolarHBondContact O-N 3.44Å; P14-L16 VanDerWaalsContact O-N 3.13Å | ||
| 15 | V | 53 | Low | 50 | Low | 137 Ų | 137 | 146.3 Ų | 146.3 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -56.3 | 114.6 | 165.3 | 178.6 | 0 | 0 | 0 | 0 | 107 | L13 P17 | L13-V15 PolarHBondContact O-N 2.8Å; L13-V15 VanDerWaalsContact O-N 3.17Å; V15-P17 VanDerWaalsContact O-CD 3.32Å; V15-P17 WeakPolarHBondContact O-CD 3.23Å | ||
| 16 | L | 52.9 | Low | 49.5 | Very low | 156 Ų | 156 | 141.3 Ų | 141.3 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -64.5 | 122.4 | 171.9 | -74 | 165.3 | 0 | 0 | 0 | 108.3 | P14 S18 | P14-L16 PolarHBondContact O-N 3.44Å; P14-L16 VanDerWaalsContact O-N 3.13Å; L16-S18 PolarHBondContact O-N 2.95Å | ||
| 17 | P | 41.8 | Very low | 49.4 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | trans | -67.5 | 118.3 | 164.9 | 26.1 | -29.4 | 0 | 0 | 0 | 108.4 | V15 T19 | V15-P17 VanDerWaalsContact O-CD 3.32Å; V15-P17 WeakPolarHBondContact O-CD 3.23Å; P17-T19 PolarHBondContact O-N 3.09Å | ||
| 18 | S | 50.4 | Low | 48.8 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 90% | 0.895 | 77% | 0.774 | S | S | * | * | trans | -57.7 | 103.7 | 159.8 | -69.8 | 0 | 0 | 0 | 0 | 107.7 | L16 | L16-S18 PolarHBondContact O-N 2.95Š| ||
| 19 | T | 45.6 | Very low | 48.8 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | -88.6 | 129.6 | 168.8 | 46.5 | 0 | 0 | 0 | 0 | 108.4 | P17 | P17-T19 PolarHBondContact O-N 3.09Š| ||
| 20 | E | 49.4 | Very low | 48.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -53 | 143.2 | -176.6 | -69 | -178.1 | 101 | 0 | 0 | 113.3 | K22 | E20-K22 PolarHBondContact O-N 3.26Š| ||
| 21 | A | 50.1 | Low | 48.2 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 87% | 0.868 | 79% | 0.786 | S | S | * | * | trans | -63.5 | 96.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | R23 | A21-R23 PolarHBondContact O-N 3.3Š| ||
| 22 | K | 39.5 | Very low | 47.8 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -88.8 | 96.4 | 164.4 | -158.1 | 161.2 | -171.3 | 162.8 | 0 | 109 | E20 Q24 | E20-K22 PolarHBondContact O-N 3.26Å; K22-Q24 HydrophobicContact CG-CG 4.37Å; K22-Q24 PolarHBondContact O-N 2.97Å; K22-Q24 VanDerWaalsContact O-N 3.17Å | ||
| 23 | R | 50.7 | Low | 47.7 | Very low | 246 Ų | 246 | 143.9 Ų | 143.9 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | trans | -53.5 | 117 | 159.4 | -85.5 | -173.2 | 175.8 | -177.7 | -0 | 107.8 | A21 | A21-R23 PolarHBondContact O-N 3.3Š| ||
| 24 | Q | 38.5 | Very low | 48.1 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | -122 | 101.7 | 157.7 | -75.1 | -166.7 | -28.7 | 0 | 0 | 108.3 | K22 | K22-Q24 HydrophobicContact CG-CG 4.37Å; K22-Q24 PolarHBondContact O-N 2.97Å; K22-Q24 VanDerWaalsContact O-N 3.17Å | ||
| 25 | N | 52.3 | Low | 48.2 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -74.4 | 120.3 | 149.7 | -179.8 | 13.9 | 0 | 0 | 0 | 106.5 | ||||
| 26 | S | 38.3 | Very low | 48.3 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | -168.9 | 112.6 | 152.6 | -164 | 0 | 0 | 0 | 0 | 110 | N28 | S26-N28 PolarHBondContact O-N 3.41Š| ||
| 27 | D | 50.6 | Low | 48.3 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | -49 | 117.2 | 166.8 | -61.2 | -77.8 | 0 | 0 | 0 | 111.7 | ||||
| 28 | N | 37.9 | Very low | 48.5 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -151.8 | 84.1 | 160.2 | -103.2 | -61.7 | 0 | 0 | 0 | 110.4 | S26 M30 | S26-N28 PolarHBondContact O-N 3.41Å; N28-M30 PolarHBondContact O-N 3Å; N28-M30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | K | 52.5 | Low | 48.4 | Very low | 215 Ų | 215 | 133.6 Ų | 133.6 | 94% | 0.935 | 74% | 0.735 | S | S | * | * | trans | -76.8 | 90.2 | 169.7 | -175 | 177.5 | -179.6 | -170.3 | 0 | 108.7 | ||||
| 30 | M | 41.9 | Very low | 48.7 | Very low | 155 Ų | 155 | 130 Ų | 130 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | -142.9 | 107.5 | 165.2 | -168.1 | 58.8 | 172.8 | 0 | 0 | 111.2 | N28 Q32 | N28-M30 PolarHBondContact O-N 3Å; N28-M30 VanDerWaalsContact O-N 3.15Å; M30-Q32 PolarHBondContact O-N 2.02Å; M30-Q32 VanDerWaalsContact O-N 3.09Å | ||
| 31 | S | 53.9 | Low | 48.5 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 73% | 0.727 | S | S | * | * | trans | 10.3 | 73 | 167.2 | -55.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 32 | Q | 43.2 | Very low | 48.5 | Very low | 171 Ų | 171 | 131.1 Ų | 131.1 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 145.6 | 155.4 | -74.8 | 176.6 | -49 | 0 | 0 | 110.1 | M30 | M30-Q32 PolarHBondContact O-N 2.02Å; M30-Q32 VanDerWaalsContact O-N 3.09Å |
| 33 | P | 50.8 | Low | 48.7 | Very low | 71 Ų | 71 | 127.4 Ų | 127.4 | 46% | 0.461 | 70% | 0.7 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 138.4 | 166 | 23.8 | -30.6 | 0 | 0 | 0 | 108.9 | ||
| 34 | P | 64.9 | Low | 48.5 | Very low | 24 Ų | 24 | 125.9 Ų | 125.9 | 16% | 0.156 | 70% | 0.7 | C | S | . | * | P | Polyproline II helix | trans | -54.7 | 137.1 | 177.6 | 19.5 | -30.2 | 0 | 0 | 0 | 110.1 | L74 | P34-L74 HydrophobicContact CB-CD2 3.82Å; P34-L74 HydrophobicContact CG-CD1 3.47Å; P34-L74 VanDerWaalsContact CG-CD1 3.47Å; P34-L74 HydrophobicContact CG-CD2 3.34Å; P34-L74 HydrophobicContact CG-CG 4.03Å |
| 35 | P | 54.1 | Low | 49 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 140 | 178.2 | 24.1 | -32.8 | 0 | 0 | 0 | 109.2 | ||
| 36 | P | 54.4 | Low | 49.1 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 135 | 172.9 | 24.3 | -32.1 | 0 | 0 | 0 | 108.4 | ||
| 37 | P | 54.2 | Low | 50.2 | Low | 74 Ų | 74 | 115.6 Ų | 115.6 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 143.2 | -179.7 | 22.2 | -31.5 | 0 | 0 | 0 | 109.8 | A39 D64 | P37-A39 PolarHBondContact O-N 3.06Å; P37-D64 HydrophobicContact CG-CB 4.35Å |
| 38 | P | 44.9 | Very low | 51.1 | Low | 126 Ų | 126 | 111.3 Ų | 111.3 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 133.4 | 178.1 | 22.4 | -31.8 | 0 | 0 | 0 | 109.3 | G40 | P38-G40 PolarHBondContact O-N 3.11Š|
| 39 | A | 49.6 | Very low | 53.3 | Low | 110 Ų | 110 | 106 Ų | 106 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | trans | -69.1 | 70.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P37 | P37-A39 PolarHBondContact O-N 3.06Š| ||
| 40 | G | 51.5 | Low | 55 | Low | 54 Ų | 54 | 98.5 Ų | 98.5 | 56% | 0.557 | 58% | 0.577 | S | S | * | * | trans | -73.8 | 134.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P38 K42 | P38-G40 PolarHBondContact O-N 3.11Å; G40-K42 PolarHBondContact O-N 3.25Å | ||
| 41 | K | 45.6 | Very low | 57.5 | Low | 216 Ų | 216 | 92.6 Ų | 92.6 | 94% | 0.939 | 56% | 0.555 | S | S | * | * | trans | -59.7 | 103.4 | 173.6 | -66.4 | -178.5 | -178.7 | 179.9 | 0 | 108.8 | ||||
| 42 | K | 49.6 | Very low | 59.4 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | trans | -69.7 | 138.5 | 179.5 | -68.5 | -170.9 | -177.1 | -173.7 | 0 | 110.3 | G40 S49 S50 | G40-K42 PolarHBondContact O-N 3.25Å; K42-S49 PolarHBondContact NZ-OG 3.49Å; K42-S50 PolarHBondContact NZ-OG 3.16Å | ||
| 43 | P | 43.6 | Very low | 61.9 | Low | 96 Ų | 96 | 83.4 Ų | 83.4 | 62% | 0.623 | 52% | 0.517 | S | S | * | . | trans | -62 | 142 | 173.5 | 24.5 | -31.3 | 0 | 0 | 0 | 109.8 | N45 S46 | P43-N45 PolarHBondContact O-N 3.16Å; P43-S46 PolarHBondContact O-N 3.49Å; P43-S46 PolarHBondContact O-OG 2.72Å | ||
| 44 | K | 47.5 | Very low | 64.1 | Low | 215 Ų | 215 | 83 Ų | 83 | 94% | 0.935 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -2.6 | -173.3 | -64.3 | 178.6 | 179.2 | 179 | 0 | 114.9 | ||
| 45 | N | 47.1 | Very low | 65.6 | Low | 115 Ų | 115 | 82.2 Ų | 82.2 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.1 | 21.6 | -178.6 | -91 | -16.4 | 0 | 0 | 0 | 114.3 | P43 R101 | P43-N45 PolarHBondContact O-N 3.16Å; N45-R101 VanDerWaalsContact CA-NH1 3.25Å; N45-R101 VanDerWaalsContact O-CZ 3.31Å; N45-R101 PolarHBondContact O-NH1 3.21Å; N45-R101 PolarHBondContact OD1-NH1 3.25Å; N45-R101 PolarHBondContact OD1-NH2 3.05Å |
| 46 | S | 55.3 | Low | 67.5 | Low | 53 Ų | 53 | 85 Ų | 85 | 37% | 0.371 | 51% | 0.511 | S | S | . | . | trans | -78.9 | 138.2 | 171.1 | 47.7 | 0 | 0 | 0 | 0 | 111 | P43 | P43-S46 PolarHBondContact O-N 3.49Å; P43-S46 PolarHBondContact O-OG 2.72Å | ||
| 47 | V | 61.9 | Low | 69.4 | Low | 24 Ų | 24 | 83.2 Ų | 83.2 | 15% | 0.145 | 50% | 0.498 | C | S | . | . | trans | -52.9 | 141.8 | 166.5 | 170.3 | 0 | 0 | 0 | 0 | 108 | S49 R101 Q104 | V47-S49 PolarHBondContact O-N 3.06Å; V47-R101 HydrophobicContact CG2-CB 4.2Å; V47-R101 HydrophobicContact CG2-CG 3.84Å; V47-Q104 HydrophobicContact CG1-CB 3.63Å; V47-Q104 HydrophobicContact CG2-CB 4.11Å | ||
| 48 | P | 69.8 | Low | 71.2 | Confident | 50 Ų | 50 | 82.2 Ų | 82.2 | 33% | 0.325 | 50% | 0.501 | S | S | . | . | trans | -56.8 | 104.3 | -177.7 | 20.8 | -31.6 | 0 | 0 | 0 | 108.9 | S50 W63 V105 | P48-S50 VanDerWaalsContact C-N 3.34Å; P48-W63 HydrophobicContact CB-CH2 4.32Å; P48-W63 VanDerWaalsContact O-CH2 3.29Å; P48-W63 WeakPolarHBondContact O-CH2 3.21Å; P48-V105 VanDerWaalsContact CD-CG2 3.45Å; P48-V105 HydrophobicContact CG-CB 4.43Å; P48-V105 HydrophobicContact CG-CG1 4.38Å; P48-V105 HydrophobicContact CG-CG2 3.95Å | ||
| 49 | S | 82.4 | Confident | 73.7 | Confident | 36 Ų | 36 | 78.2 Ų | 78.2 | 25% | 0.252 | 47% | 0.471 | S | S | . | . | trans | -96.1 | 0.9 | -179.8 | 133.3 | 0 | 0 | 0 | 0 | 110.9 | K42 V47 D64 T65 | K42-S49 PolarHBondContact NZ-OG 3.49Å; V47-S49 PolarHBondContact O-N 3.06Å; S49-D64 CarbonylContact O-C 3.46Å; S49-D64 VanDerWaalsContact O-CA 3.26Å; S49-D64 WeakPolarHBondContact O-CA 3.49Å; S49-T65 VanDerWaalsContact CA-OG1 3.26Å; S49-T65 WeakPolarHBondContact CA-OG1 3.48Å; S49-T65 PolarHBondContact O-N 3.38Å; S49-T65 PolarHBondContact O-OG1 2.75Å; S49-T65 PolarHBondContact OG-O 3.45Å | ||
| 50 | S | 90.1 | Very high | 75.9 | Confident | 58 Ų | 58 | 78 Ų | 78 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 158.3 | 174.6 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | K42 P48 W63 | K42-S50 PolarHBondContact NZ-OG 3.16Å; P48-S50 VanDerWaalsContact C-N 3.34Å; S50-W63 CarbonylContact C-O 3.48Å; S50-W63 WeakPolarHBondContact CA-O 3.46Å; S50-W63 WeakPolarHBondContact CB-O 3.36Å |
| 51 | G | 92.8 | Very high | 78.1 | Confident | 31 Ų | 31 | 75.4 Ų | 75.4 | 32% | 0.32 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.2 | -174.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | T62 W63 | G51-T62 CarbonylContact O-C 3.58Å; G51-T62 WeakPolarHBondContact O-CA 3.19Å; G51-W63 VanDerWaalsContact C-CD1 3.45Å; G51-W63 PolarHBondContact N-O 3.22Å; G51-W63 VanDerWaalsContact O-CD1 3.23Å; G51-W63 PolarHBondContact O-N 3.42Å |
| 52 | G | 95 | Very high | 80.5 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 154.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | C61 | G52-C61 CarbonylContact C-O 3.56Å; G52-C61 VanDerWaalsContact CA-O 3.25Å; G52-C61 WeakPolarHBondContact CA-O 3.25Å |
| 53 | F | 95.6 | Very high | 82.7 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.075 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.3 | 172.1 | 67.7 | -84 | 0 | 0 | 0 | 110.8 | T55 C61 W63 V75 V112 L115 K116 A121 | F53-T55 HydrophobicContact CE2-CG2 4.1Å; F53-C61 HydrophobicContact CD1-CB 4.04Å; F53-C61 HydrophobicContact CD2-CB 4.12Å; F53-C61 HydrophobicContact CE1-CB 3.64Å; F53-C61 HydrophobicContact CE2-CB 3.73Å; F53-C61 HydrophobicContact CG-CB 4.27Å; F53-C61 HydrophobicContact CZ-CB 3.46Å; F53-C61 VanDerWaalsContact CZ-CB 3.46Å; F53-C61 PolarHBondContact N-O 3.14Å; F53-C61 WeakPolarHBondContact O-CA 3Å; F53-C61 WeakPolarHBondContact O-CB 2.92Å; F53-C61 PolarHBondContact O-N 2.85Å; F53-C61 VanDerWaalsContact O-O 3.06Å; F53-W63 AromaticContact CD1-CD1 3.81Å; F53-W63 HydrophobicContact CE1-CB 4.48Å; F53-V75 HydrophobicContact CE1-CG1 4.13Å; F53-V75 HydrophobicContact CZ-CG1 3.89Å; F53-V112 HydrophobicContact CB-CG1 3.97Å; F53-V112 HydrophobicContact CD1-CG1 3.82Å; F53-V112 HydrophobicContact CG-CG1 3.97Å; F53-L115 HydrophobicContact CE1-CB 4.46Å; F53-L115 HydrophobicContact CE1-CD1 4.4Å; F53-L115 HydrophobicContact CE2-CB 3.8Å; F53-L115 HydrophobicContact CZ-CB 3.7Å; F53-L115 HydrophobicContact CZ-CD1 4.17Å; F53-K116 HydrophobicContact CD2-CB 4.31Å; F53-A121 HydrophobicContact CE2-CB 4.06Å; F53-A121 HydrophobicContact CZ-CB 3.87Å |
| 54 | S | 96.4 | Very high | 85.1 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 43% | 0.427 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 134.1 | 171.6 | -50.9 | 0 | 0 | 0 | 0 | 110.7 | H59 K116 | S54-H59 VanDerWaalsContact CA-O 3.3Å; S54-H59 WeakPolarHBondContact CA-O 3.35Å; S54-K116 WeakPolarHBondContact O-CG 3.46Å |
| 55 | T | 96.1 | Very high | 87.3 | Confident | 8 Ų | 8 | 52 Ų | 52 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | trans | -68.4 | 173.7 | 176 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | F53 V57 G58 H59 K116 R118 R119 A121 | F53-T55 HydrophobicContact CE2-CG2 4.1Å; T55-V57 PolarHBondContact O-N 3.08Å; T55-G58 PolarHBondContact O-N 3.27Å; T55-H59 HydrophobicContact CG2-CB 4.17Å; T55-H59 PolarHBondContact N-O 3.16Å; T55-H59 VanDerWaalsContact N-O 3.08Å; T55-H59 VanDerWaalsContact OG1-CB 3.26Å; T55-H59 WeakPolarHBondContact OG1-CB 3.24Å; T55-H59 PolarHBondContact OG1-N 2.84Å; T55-K116 CarbonylContact C-O 3.57Å; T55-R118 WeakPolarHBondContact CB-O 3.32Å; T55-R119 WeakPolarHBondContact CB-O 3.28Å; T55-R119 PolarHBondContact OG1-O 2.91Å; T55-A121 HydrophobicContact CG2-CB 4.07Å | ||
| 56 | K | 94.1 | Very high | 89.3 | Confident | 168 Ų | 168 | 50.2 Ų | 50.2 | 73% | 0.73 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -30.2 | 179.4 | -172.2 | 175.9 | 179.7 | -179.9 | 0 | 113.2 | K116 R118 | K56-K116 PolarHBondContact N-O 2.92Å; K56-K116 VanDerWaalsContact N-O 3.14Å; K56-R118 WeakPolarHBondContact CB-O 3.29Å; K56-R118 PolarHBondContact N-O 2.65Å |
| 57 | V | 93.4 | Very high | 90.8 | Very high | 78 Ų | 78 | 50 Ų | 50 | 47% | 0.473 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.4 | 179.3 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | T55 R119 | T55-V57 PolarHBondContact O-N 3.08Å; V57-R119 HydrophobicContact CG1-CB 3.99Å; V57-R119 HydrophobicContact CG1-CG 4.02Å; V57-R119 WeakPolarHBondContact CG2-O 3.45Å |
| 58 | G | 93.8 | Very high | 91.7 | Very high | 53 Ų | 53 | 58.1 Ų | 58.1 | 55% | 0.546 | 36% | 0.364 | S | S | . | . | trans | 90.3 | 2.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | T55 N60 | T55-G58 PolarHBondContact O-N 3.27Å; G58-N60 PolarHBondContact O-N 3.45Å | ||
| 59 | H | 95.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 57 Ų | 57 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | trans | -58.3 | 129.3 | 173.4 | -55.5 | 154.4 | 0 | 0 | 0 | 110.8 | S54 T55 R78 S79 Y84 | S54-H59 VanDerWaalsContact CA-O 3.3Å; S54-H59 WeakPolarHBondContact CA-O 3.35Å; T55-H59 HydrophobicContact CG2-CB 4.17Å; T55-H59 PolarHBondContact N-O 3.16Å; T55-H59 VanDerWaalsContact N-O 3.08Å; T55-H59 VanDerWaalsContact OG1-CB 3.26Å; T55-H59 WeakPolarHBondContact OG1-CB 3.24Å; T55-H59 PolarHBondContact OG1-N 2.84Å; H59-R78 WeakPolarHBondContact CA-O 3.19Å; H59-S79 WeakPolarHBondContact CD2-CB 3.27Å; H59-S79 WeakPolarHBondContact NE2-CB 3.43Å; H59-Y84 HydrophobicContact CB-CE1 4.41Å; H59-Y84 AromaticContact ND1-CE1 3.65Å; H59-Y84 AromaticContact ND1-CZ 3.65Å; H59-Y84 PolarHBondContact ND1-OH 2.75Å | ||
| 60 | N | 96.8 | Very high | 92.6 | Very high | 105 Ų | 105 | 58.7 Ų | 58.7 | 56% | 0.561 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.4 | 177.8 | -174.7 | -0.6 | 0 | 0 | 0 | 109.3 | G58 C77 R78 | G58-N60 PolarHBondContact O-N 3.45Å; N60-C77 CarbonylContact O-C 3.57Å; N60-C77 WeakPolarHBondContact O-CA 3.44Å; N60-R78 PolarHBondContact N-O 3.09Å; N60-R78 PolarHBondContact O-N 3.15Å |
| 61 | C | 97 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141 | -175.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | G52 F53 S76 C77 | G52-C61 CarbonylContact C-O 3.56Å; G52-C61 VanDerWaalsContact CA-O 3.25Å; G52-C61 WeakPolarHBondContact CA-O 3.25Å; F53-C61 HydrophobicContact CD1-CB 4.04Å; F53-C61 HydrophobicContact CD2-CB 4.12Å; F53-C61 HydrophobicContact CE1-CB 3.64Å; F53-C61 HydrophobicContact CE2-CB 3.73Å; F53-C61 HydrophobicContact CG-CB 4.27Å; F53-C61 HydrophobicContact CZ-CB 3.46Å; F53-C61 VanDerWaalsContact CZ-CB 3.46Å; F53-C61 PolarHBondContact N-O 3.14Å; F53-C61 WeakPolarHBondContact O-CA 3Å; F53-C61 WeakPolarHBondContact O-CB 2.92Å; F53-C61 PolarHBondContact O-N 2.85Å; F53-C61 VanDerWaalsContact O-O 3.06Å; C61-S76 CarbonylContact C-O 3.58Å; C61-S76 VanDerWaalsContact CA-O 3.24Å; C61-S76 WeakPolarHBondContact CA-O 3.09Å; C61-C77 HydrophobicContact CB-CB 4.08Å; C61-C77 WeakPolarHBondContact CB-SG 3.37Å; C61-C77 WeakPolarHBondContact SG-CB 3.39Å; C61-C77 CovalentContact SG-SG 2.03Å; C61-C77 PolarHBondContact SG-SG 3.2Å |
| 62 | T | 96.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 153.6 | 165.2 | 58.5 | 0 | 0 | 0 | 0 | 109.8 | G51 V75 S76 | G51-T62 CarbonylContact O-C 3.58Å; G51-T62 WeakPolarHBondContact O-CA 3.19Å; T62-V75 WeakPolarHBondContact O-CA 3.37Å; T62-S76 PolarHBondContact N-O 3.32Å; T62-S76 PolarHBondContact O-N 3.49Å |
| 63 | W | 95.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 55 Ų | 55 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.9 | 171.3 | 66.2 | -82 | 0 | 0 | 0 | 110.6 | P48 S50 G51 F53 T65 L73 L74 V75 W108 V112 | P48-W63 HydrophobicContact CB-CH2 4.32Å; P48-W63 VanDerWaalsContact O-CH2 3.29Å; P48-W63 WeakPolarHBondContact O-CH2 3.21Å; S50-W63 CarbonylContact C-O 3.48Å; S50-W63 WeakPolarHBondContact CA-O 3.46Å; S50-W63 WeakPolarHBondContact CB-O 3.36Å; G51-W63 VanDerWaalsContact C-CD1 3.45Å; G51-W63 PolarHBondContact N-O 3.22Å; G51-W63 VanDerWaalsContact O-CD1 3.23Å; G51-W63 PolarHBondContact O-N 3.42Å; F53-W63 AromaticContact CD1-CD1 3.81Å; F53-W63 HydrophobicContact CE1-CB 4.48Å; W63-T65 HydrophobicContact CE3-CG2 4.02Å; W63-T65 HydrophobicContact CZ3-CG2 3.77Å; W63-L73 HydrophobicContact CB-CD1 4.03Å; W63-L73 HydrophobicContact CD2-CD1 4.31Å; W63-L73 HydrophobicContact CE3-CD1 3.68Å; W63-L73 HydrophobicContact CG-CD1 4.49Å; W63-L74 CarbonylContact C-O 3.47Å; W63-L74 WeakPolarHBondContact CA-O 3.46Å; W63-V75 HydrophobicContact CB-CG2 4.24Å; W63-W108 HydrophobicContact CH2-CB 3.99Å; W63-W108 HydrophobicContact CH2-CG 4.22Å; W63-W108 HydrophobicContact CZ3-CD2 4.28Å; W63-W108 HydrophobicContact CZ3-CE3 4.19Å; W63-W108 HydrophobicContact CZ3-CG 4.43Å; W63-V112 HydrophobicContact CD2-CG2 3.95Å; W63-V112 HydrophobicContact CG-CG2 4.19Å; W63-V112 HydrophobicContact CZ2-CG2 3.9Å |
| 64 | D | 93.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 54.7 Ų | 54.7 | 13% | 0.134 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 153.9 | 173.5 | 65.1 | -88.8 | 0 | 0 | 0 | 110.9 | P37 S49 L73 L74 | P37-D64 HydrophobicContact CG-CB 4.35Å; S49-D64 CarbonylContact O-C 3.46Å; S49-D64 VanDerWaalsContact O-CA 3.26Å; S49-D64 WeakPolarHBondContact O-CA 3.49Å; D64-L73 WeakPolarHBondContact O-CA 3.44Å; D64-L74 PolarHBondContact N-O 3.03Å; D64-L74 PolarHBondContact O-N 2.91Å |
| 65 | T | 92.7 | Very high | 92.7 | Very high | 22 Ų | 22 | 51.8 Ų | 51.8 | 14% | 0.135 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 138.6 | 177.5 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | S49 W63 V71 N72 L73 W108 | S49-T65 VanDerWaalsContact CA-OG1 3.26Å; S49-T65 WeakPolarHBondContact CA-OG1 3.48Å; S49-T65 PolarHBondContact O-N 3.38Å; S49-T65 PolarHBondContact O-OG1 2.75Å; S49-T65 PolarHBondContact OG-O 3.45Å; W63-T65 HydrophobicContact CE3-CG2 4.02Å; W63-T65 HydrophobicContact CZ3-CG2 3.77Å; T65-V71 HydrophobicContact CG2-CG1 4.32Å; T65-N72 CarbonylContact C-O 3.56Å; T65-N72 WeakPolarHBondContact CA-O 3.33Å; T65-L73 HydrophobicContact CG2-CB 4.48Å; T65-L73 HydrophobicContact CG2-CD1 3.88Å; T65-W108 HydrophobicContact CG2-CD2 4.25Å; T65-W108 HydrophobicContact CG2-CE3 3.95Å; T65-W108 HydrophobicContact CG2-CH2 3.32Å; T65-W108 HydrophobicContact CG2-CZ2 3.65Å; T65-W108 HydrophobicContact CG2-CZ3 3.48Å; T65-W108 VanDerWaalsContact CG2-CZ3 3.48Å |
| 66 | S | 90.3 | Very high | 92.8 | Very high | 76 Ų | 76 | 53 Ų | 53 | 53% | 0.531 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 152.8 | -178.6 | -179.8 | 0 | 0 | 0 | 0 | 111 | N72 | S66-N72 PolarHBondContact N-O 3.49Å; S66-N72 WeakPolarHBondContact O-CB 3.02Å; S66-N72 PolarHBondContact O-N 2.71Å |
| 67 | G | 86.4 | Confident | 92.9 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | trans | 99.5 | 152.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 68 | E | 80.7 | Confident | 93 | Very high | 195 Ų | 195 | 50.1 Ų | 50.1 | 91% | 0.911 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -114.3 | 132.7 | 177.7 | -173.1 | 173.2 | -170.7 | 0 | 0 | 108.6 | V70 | E68-V70 PolarHBondContact O-N 3.25Š|
| 69 | G | 82.8 | Confident | 93 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 72.2 | -64.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q91 | G69-Q91 WeakPolarHBondContact O-CA 3.43Å; G69-Q91 WeakPolarHBondContact O-CG 3.18Å |
| 70 | V | 89.3 | Confident | 92.6 | Very high | 73 Ų | 73 | 56.2 Ų | 56.2 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -94.7 | 103.5 | 170.2 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | E68 Q91 | E68-V70 PolarHBondContact O-N 3.25Å; V70-Q91 HydrophobicContact CG2-CG 3.94Å |
| 71 | V | 91.8 | Very high | 92.1 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 7% | 0.073 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129.6 | -177.5 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | T65 T89 G90 P92 W108 M141 | T65-V71 HydrophobicContact CG2-CG1 4.32Å; V71-T89 WeakPolarHBondContact O-CA 3.33Å; V71-G90 PolarHBondContact N-O 2.7Å; V71-G90 PolarHBondContact O-N 3.23Å; V71-P92 HydrophobicContact CB-CG 4.12Å; V71-P92 HydrophobicContact CG2-CG 3.71Å; V71-W108 HydrophobicContact CG1-CH2 3.81Å; V71-W108 HydrophobicContact CG1-CZ2 3.97Å; V71-M141 HydrophobicContact CB-CE 3.94Å; V71-M141 HydrophobicContact CG1-CE 4.26Å |
| 72 | N | 93.3 | Very high | 91.8 | Very high | 52 Ų | 52 | 63.2 Ų | 63.2 | 28% | 0.278 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 129.6 | 170.4 | -65 | -90.5 | 0 | 0 | 0 | 108.8 | T65 S66 Y88 T89 | T65-N72 CarbonylContact C-O 3.56Å; T65-N72 WeakPolarHBondContact CA-O 3.33Å; S66-N72 PolarHBondContact N-O 3.49Å; S66-N72 WeakPolarHBondContact O-CB 3.02Å; S66-N72 PolarHBondContact O-N 2.71Å; N72-Y88 CarbonylContact C-O 3.51Å; N72-Y88 VanDerWaalsContact CA-O 3.29Å; N72-Y88 WeakPolarHBondContact CA-O 3.27Å; N72-T89 VanDerWaalsContact OD1-CG2 3.28Å; N72-T89 WeakPolarHBondContact OD1-CG2 3.48Å |
| 73 | L | 94.6 | Very high | 91.7 | Very high | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 110.2 | 168.5 | 169.9 | 69.4 | 0 | 0 | 0 | 108 | W63 D64 T65 V75 R87 Y88 W108 L115 L128 | W63-L73 HydrophobicContact CB-CD1 4.03Å; W63-L73 HydrophobicContact CD2-CD1 4.31Å; W63-L73 HydrophobicContact CE3-CD1 3.68Å; W63-L73 HydrophobicContact CG-CD1 4.49Å; D64-L73 WeakPolarHBondContact O-CA 3.44Å; T65-L73 HydrophobicContact CG2-CB 4.48Å; T65-L73 HydrophobicContact CG2-CD1 3.88Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å; L73-V75 HydrophobicContact CG-CG2 4.11Å; L73-R87 WeakPolarHBondContact O-CA 3.09Å; L73-Y88 HydrophobicContact CD2-CD2 4.34Å; L73-Y88 PolarHBondContact N-O 2.78Å; L73-Y88 PolarHBondContact O-N 2.89Å; L73-W108 HydrophobicContact CB-CZ3 4.31Å; L73-W108 HydrophobicContact CD1-CZ3 4.11Å; L73-W108 HydrophobicContact CD2-CZ3 4.3Å; L73-W108 HydrophobicContact CG-CZ3 4.48Å; L73-L115 HydrophobicContact CD2-CD1 4.48Å; L73-L128 HydrophobicContact CD2-CD1 4.17Å |
| 74 | L | 95.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.063 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 131.9 | 171.9 | 176.1 | 61.5 | 0 | 0 | 0 | 108.9 | P34 W63 D64 W85 | P34-L74 HydrophobicContact CB-CD2 3.82Å; P34-L74 HydrophobicContact CG-CD1 3.47Å; P34-L74 VanDerWaalsContact CG-CD1 3.47Å; P34-L74 HydrophobicContact CG-CD2 3.34Å; P34-L74 HydrophobicContact CG-CG 4.03Å; W63-L74 CarbonylContact C-O 3.47Å; W63-L74 WeakPolarHBondContact CA-O 3.46Å; D64-L74 PolarHBondContact N-O 3.03Å; D64-L74 PolarHBondContact O-N 2.91Å; L74-W85 HydrophobicContact CD1-CE3 4.08Å |
| 75 | V | 96.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.2 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | F53 T62 W63 L73 W85 C86 Y88 L115 A121 | F53-V75 HydrophobicContact CE1-CG1 4.13Å; F53-V75 HydrophobicContact CZ-CG1 3.89Å; T62-V75 WeakPolarHBondContact O-CA 3.37Å; W63-V75 HydrophobicContact CB-CG2 4.24Å; L73-V75 HydrophobicContact CD1-CG2 4.44Å; L73-V75 HydrophobicContact CD2-CG2 4.38Å; L73-V75 HydrophobicContact CG-CG2 4.11Å; V75-W85 CarbonylContact O-C 3.58Å; V75-W85 WeakPolarHBondContact O-CA 3.03Å; V75-W85 VanDerWaalsContact O-CB 3.31Å; V75-W85 WeakPolarHBondContact O-CB 3.39Å; V75-C86 PolarHBondContact N-O 3.36Å; V75-C86 PolarHBondContact O-N 2.04Å; V75-Y88 HydrophobicContact CG2-CE2 4.45Å; V75-L115 HydrophobicContact CG2-CD1 3.87Å; V75-A121 HydrophobicContact CG1-CB 3.95Å |
| 76 | S | 96.6 | Very high | 91.9 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 22% | 0.224 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126 | 179.4 | -67.4 | 0 | 0 | 0 | 0 | 108.7 | C61 T62 | C61-S76 CarbonylContact C-O 3.58Å; C61-S76 VanDerWaalsContact CA-O 3.24Å; C61-S76 WeakPolarHBondContact CA-O 3.09Å; T62-S76 PolarHBondContact N-O 3.32Å; T62-S76 PolarHBondContact O-N 3.49Å |
| 77 | C | 96.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 147 | -174.3 | -65.6 | 0 | 0 | 0 | 0 | 111.3 | N60 C61 T83 Y84 A121 | N60-C77 CarbonylContact O-C 3.57Å; N60-C77 WeakPolarHBondContact O-CA 3.44Å; C61-C77 HydrophobicContact CB-CB 4.08Å; C61-C77 WeakPolarHBondContact CB-SG 3.37Å; C61-C77 WeakPolarHBondContact SG-CB 3.39Å; C61-C77 CovalentContact SG-SG 2.03Å; C61-C77 PolarHBondContact SG-SG 3.2Å; C77-T83 CarbonylContact O-C 3.49Å; C77-T83 WeakPolarHBondContact O-CA 3.34Å; C77-Y84 HydrophobicContact CB-CD1 3.93Å; C77-Y84 HydrophobicContact CB-CD2 3.94Å; C77-Y84 HydrophobicContact CB-CE1 3.42Å; C77-Y84 VanDerWaalsContact CB-CE1 3.42Å; C77-Y84 HydrophobicContact CB-CE2 3.43Å; C77-Y84 VanDerWaalsContact CB-CE2 3.43Å; C77-Y84 HydrophobicContact CB-CG 4.17Å; C77-Y84 WeakPolarHBondContact CB-OH 3Å; C77-Y84 PolarHBondContact N-O 2.89Å; C77-Y84 PolarHBondContact O-N 2.88Å; C77-A121 VanDerWaalsContact SG-CB 3.55Å |
| 78 | R | 95.9 | Very high | 92.6 | Very high | 180 Ų | 180 | 57.5 Ų | 57.5 | 68% | 0.679 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 126.3 | 174.4 | -172.7 | 168.4 | 179.8 | 178.7 | -0.4 | 109.5 | H59 N60 T83 | H59-R78 WeakPolarHBondContact CA-O 3.19Å; N60-R78 PolarHBondContact N-O 3.09Å; N60-R78 PolarHBondContact O-N 3.15Å; R78-T83 HydrophobicContact CB-CG2 4.21Å; R78-T83 HydrophobicContact CG-CG2 3.96Å |
| 79 | S | 92.7 | Very high | 93.3 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | trans | -101.4 | -178.5 | 164.2 | 64.3 | 0 | 0 | 0 | 0 | 109 | H59 E81 Q82 | H59-S79 WeakPolarHBondContact CD2-CB 3.27Å; H59-S79 WeakPolarHBondContact NE2-CB 3.43Å; S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.81Å; S79-Q82 PolarHBondContact N-O 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.27Å; S79-Q82 WeakPolarHBondContact OG-CG 3.31Å; S79-Q82 PolarHBondContact OG-N 3.32Å; S79-Q82 PolarHBondContact OG-O 2.78Å | ||
| 80 | E | 88.7 | Confident | 93.7 | Very high | 202 Ų | 202 | 48.3 Ų | 48.3 | 94% | 0.944 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -64.5 | -36 | 175.4 | -62.2 | -175.9 | 176.1 | 0 | 0 | 111.7 | ||
| 81 | E | 86.3 | Confident | 93.8 | Very high | 182 Ų | 182 | 48.1 Ų | 48.1 | 85% | 0.85 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -101.5 | -32.1 | -171.5 | -60.3 | 178.2 | 175.9 | 0 | 0 | 114.2 | S79 | S79-E81 VanDerWaalsContact C-N 3.29Å; S79-E81 PolarHBondContact O-N 2.81Å |
| 82 | Q | 89.5 | Confident | 93.6 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | trans | -143.1 | 155.2 | -172.7 | 62.4 | 176.4 | 20.7 | 0 | 0 | 112.8 | S79 | S79-Q82 PolarHBondContact N-O 3.3Å; S79-Q82 VanDerWaalsContact OG-CG 3.27Å; S79-Q82 WeakPolarHBondContact OG-CG 3.31Å; S79-Q82 PolarHBondContact OG-N 3.32Å; S79-Q82 PolarHBondContact OG-O 2.78Å | ||
| 83 | T | 94.7 | Very high | 93.3 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 37% | 0.368 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 147 | 163 | 54.9 | 0 | 0 | 0 | 0 | 109 | C77 R78 K148 G149 | C77-T83 CarbonylContact O-C 3.49Å; C77-T83 WeakPolarHBondContact O-CA 3.34Å; R78-T83 HydrophobicContact CB-CG2 4.21Å; R78-T83 HydrophobicContact CG-CG2 3.96Å; T83-K148 CarbonylContact O-C 3.51Å; T83-K148 WeakPolarHBondContact O-CA 3.33Å; T83-G149 PolarHBondContact N-O 3.38Å; T83-G149 PolarHBondContact O-N 2.86Å; T83-G149 WeakPolarHBondContact OG1-CA 3.3Å; T83-G149 PolarHBondContact OG1-O 2.98Å |
| 84 | Y | 95.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 53.5 Ų | 53.5 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 156.4 | 177 | 65.8 | -87.3 | 0 | 0 | 0 | 110 | H59 C77 S120 A121 C122 G147 | H59-Y84 HydrophobicContact CB-CE1 4.41Å; H59-Y84 AromaticContact ND1-CE1 3.65Å; H59-Y84 AromaticContact ND1-CZ 3.65Å; H59-Y84 PolarHBondContact ND1-OH 2.75Å; C77-Y84 HydrophobicContact CB-CD1 3.93Å; C77-Y84 HydrophobicContact CB-CD2 3.94Å; C77-Y84 HydrophobicContact CB-CE1 3.42Å; C77-Y84 VanDerWaalsContact CB-CE1 3.42Å; C77-Y84 HydrophobicContact CB-CE2 3.43Å; C77-Y84 VanDerWaalsContact CB-CE2 3.43Å; C77-Y84 HydrophobicContact CB-CG 4.17Å; C77-Y84 WeakPolarHBondContact CB-OH 3Å; C77-Y84 PolarHBondContact N-O 2.89Å; C77-Y84 PolarHBondContact O-N 2.88Å; Y84-S120 WeakPolarHBondContact CE2-OG 3.15Å; Y84-A121 HydrophobicContact CE2-CB 4.41Å; Y84-A121 PolarHBondContact OH-N 3Å; Y84-C122 HydrophobicContact CD2-CB 4.08Å; Y84-C122 HydrophobicContact CE2-CB 4.21Å; Y84-G147 CarbonylContact C-O 3.52Å; Y84-G147 VanDerWaalsContact CA-O 3.31Å; Y84-G147 WeakPolarHBondContact CA-O 3.32Å |
| 85 | W | 96.1 | Very high | 92.5 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.045 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159.3 | -176.8 | 63.3 | -91.7 | 0 | 0 | 0 | 111.7 | L74 V75 R87 E145 K146 G147 | L74-W85 HydrophobicContact CD1-CE3 4.08Å; V75-W85 CarbonylContact O-C 3.58Å; V75-W85 WeakPolarHBondContact O-CA 3.03Å; V75-W85 VanDerWaalsContact O-CB 3.31Å; V75-W85 WeakPolarHBondContact O-CB 3.39Å; W85-R87 HydrophobicContact CZ3-CB 4.28Å; W85-E145 HydrophobicContact CH2-CB 4.27Å; W85-E145 HydrophobicContact CH2-CG 3.58Å; W85-E145 WeakPolarHBondContact CH2-OE1 3.28Å; W85-E145 HydrophobicContact CZ3-CB 4.04Å; W85-E145 HydrophobicContact CZ3-CG 3.86Å; W85-K146 CarbonylContact O-C 3.51Å; W85-K146 WeakPolarHBondContact O-CA 3.37Å; W85-K146 WeakPolarHBondContact O-CB 3.4Å; W85-G147 PolarHBondContact N-O 3.21Å; W85-G147 PolarHBondContact O-N 3.07Å |
| 86 | C | 96.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 145.9 | 173.7 | 40.1 | 0 | 0 | 0 | 0 | 111.2 | V75 Y88 C122 L143 E145 K146 | V75-C86 PolarHBondContact N-O 3.36Å; V75-C86 PolarHBondContact O-N 2.04Å; C86-Y88 HydrophobicContact CB-CE2 3.99Å; C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; C86-C122 HydrophobicContact CB-CB 3.63Å; C86-C122 WeakPolarHBondContact CB-SG 2.94Å; C86-C122 PolarHBondContact N-SG 2.03Å; C86-C122 VanDerWaalsContact N-SG 3.36Å; C86-C122 WeakPolarHBondContact SG-CA 3.31Å; C86-C122 WeakPolarHBondContact SG-CB 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.89Å; C86-L143 HydrophobicContact CB-CD1 3.51Å; C86-E145 CarbonylContact C-O 3.53Å; C86-E145 VanDerWaalsContact CA-O 3.27Å; C86-E145 WeakPolarHBondContact CA-O 3.4Å; C86-K146 HydrophobicContact CB-CB 3.92Å |
| 87 | R | 96.1 | Very high | 91.1 | Very high | 61 Ų | 61 | 61.7 Ų | 61.7 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.7 | 176.7 | -176.3 | 175.4 | -69.7 | 118.1 | -1.5 | 109.8 | L73 W85 K144 E145 | L73-R87 WeakPolarHBondContact O-CA 3.09Å; W85-R87 HydrophobicContact CZ3-CB 4.28Å; R87-K144 PolarHBondContact O-N 3.04Å; R87-E145 HydrophobicContact CB-CB 4.27Å; R87-E145 IonicContact CZ-OE2 3.97Å; R87-E145 PolarHBondContact N-O 3Å; R87-E145 IonicContact NH1-OE2 2.7Å; R87-E145 PolarHBondContact NH1-OE2 3.48Å; R87-E145 PolarHBondContact O-N 3.32Å |
| 88 | Y | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 151.3 | 172.2 | -58.4 | -102.1 | 0 | 0 | 0 | 110.2 | N72 L73 V75 C86 R118 L128 K142 L143 | N72-Y88 CarbonylContact C-O 3.51Å; N72-Y88 VanDerWaalsContact CA-O 3.29Å; N72-Y88 WeakPolarHBondContact CA-O 3.27Å; L73-Y88 HydrophobicContact CD2-CD2 4.34Å; L73-Y88 PolarHBondContact N-O 2.78Å; L73-Y88 PolarHBondContact O-N 2.89Å; V75-Y88 HydrophobicContact CG2-CE2 4.45Å; C86-Y88 HydrophobicContact CB-CE2 3.99Å; C86-Y88 VanDerWaalsContact SG-CE2 3.59Å; Y88-R118 PolarHBondContact OH-NH1 3.29Å; Y88-L128 HydrophobicContact CD1-CD1 3.69Å; Y88-L128 HydrophobicContact CD1-CG 3.86Å; Y88-L128 HydrophobicContact CD2-CD1 4.1Å; Y88-L128 HydrophobicContact CE1-CD1 3.61Å; Y88-L128 HydrophobicContact CE1-CD2 4.3Å; Y88-L128 HydrophobicContact CE1-CG 3.6Å; Y88-L128 HydrophobicContact CE2-CD1 4.01Å; Y88-L128 HydrophobicContact CG-CD1 3.96Å; Y88-K142 CarbonylContact C-O 3.48Å; Y88-K142 WeakPolarHBondContact CA-O 3.16Å; Y88-L143 HydrophobicContact CD1-CB 3.85Å; Y88-L143 HydrophobicContact CD1-CD1 4.21Å; Y88-L143 HydrophobicContact CD2-CD1 4.32Å; Y88-L143 HydrophobicContact CE1-CB 3.68Å; Y88-L143 HydrophobicContact CE1-CD1 3.82Å; Y88-L143 HydrophobicContact CE1-CG 4.32Å; Y88-L143 HydrophobicContact CE2-CD1 3.97Å; Y88-L143 HydrophobicContact CG-CD1 4.43Å |
| 89 | T | 94.4 | Very high | 90 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 140.3 | 177.4 | 59.2 | 0 | 0 | 0 | 0 | 110.9 | V71 N72 M141 K142 K144 | V71-T89 WeakPolarHBondContact O-CA 3.33Å; N72-T89 VanDerWaalsContact OD1-CG2 3.28Å; N72-T89 WeakPolarHBondContact OD1-CG2 3.48Å; T89-M141 VanDerWaalsContact C-SD 3.57Å; T89-K142 PolarHBondContact N-O 2.89Å; T89-K142 PolarHBondContact O-N 2.78Å; T89-K144 HydrophobicContact CG2-CB 4.39Å; T89-K144 HydrophobicContact CG2-CG 3.58Å; T89-K144 WeakPolarHBondContact OG1-CE 3.47Å; T89-K144 WeakPolarHBondContact OG1-CG 3.44Å |
| 90 | G | 92.3 | Very high | 89.7 | Confident | 6 Ų | 6 | 60.9 Ų | 60.9 | 6% | 0.062 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.4 | 172.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V71 P92 M141 | V71-G90 PolarHBondContact N-O 2.7Å; V71-G90 PolarHBondContact O-N 3.23Å; G90-P92 VanDerWaalsContact O-CD 3.28Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å; G90-M141 PolarHBondContact N-SD 3.49Å |
| 91 | Q | 91.1 | Very high | 89.5 | Confident | 68 Ų | 68 | 57.2 Ų | 57.2 | 32% | 0.318 | 29% | 0.289 | S | S | . | . | trans | -113.8 | 79.8 | -179.8 | -64.1 | -175.3 | -74.3 | 0 | 0 | 110.8 | G69 V70 D93 L94 E138 S139 | G69-Q91 WeakPolarHBondContact O-CA 3.43Å; G69-Q91 WeakPolarHBondContact O-CG 3.18Å; V70-Q91 HydrophobicContact CG2-CG 3.94Å; Q91-D93 PolarHBondContact O-N 3.31Å; Q91-D93 VanDerWaalsContact O-N 3.12Å; Q91-L94 HydrophobicContact CB-CD1 3.85Å; Q91-L94 HydrophobicContact CB-CG 3.95Å; Q91-L94 PolarHBondContact O-N 2.87Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; Q91-E138 PolarHBondContact N-O 3.15Å; Q91-S139 VanDerWaalsContact O-CA 3.29Å; Q91-S139 WeakPolarHBondContact O-CA 2.96Å | ||
| 92 | P | 87.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -62.8 | -23 | -174.3 | 28.5 | -34.6 | 0 | 0 | 0 | 112.4 | V71 G90 L94 C95 Y98 M141 | V71-P92 HydrophobicContact CB-CG 4.12Å; V71-P92 HydrophobicContact CG2-CG 3.71Å; G90-P92 VanDerWaalsContact O-CD 3.28Å; G90-P92 WeakPolarHBondContact O-CD 3.22Å; P92-L94 PolarHBondContact O-N 3.34Å; P92-C95 WeakPolarHBondContact O-CB 3.47Å; P92-C95 PolarHBondContact O-N 3.19Å; P92-Y98 HydrophobicContact CB-CD1 3.79Å; P92-Y98 HydrophobicContact CB-CD2 3.83Å; P92-Y98 HydrophobicContact CB-CE1 3.84Å; P92-Y98 HydrophobicContact CB-CE2 3.88Å; P92-Y98 HydrophobicContact CB-CG 3.81Å; P92-Y98 HydrophobicContact CG-CD1 4.15Å; P92-Y98 HydrophobicContact CG-CE1 3.77Å; P92-Y98 HydrophobicContact CG-CE2 4.34Å; P92-Y98 WeakPolarHBondContact O-CB 3.4Å; P92-M141 HydrophobicContact CB-CE 4.43Å; P92-M141 HydrophobicContact CG-CE 4.09Å |
| 93 | D | 86.1 | Confident | 89.5 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -65.4 | -23.5 | 178.5 | -57.6 | -33.3 | 0 | 0 | 0 | 113.7 | Q91 C95 Y98 | Q91-D93 PolarHBondContact O-N 3.31Å; Q91-D93 VanDerWaalsContact O-N 3.12Å; D93-C95 PolarHBondContact O-N 3.2Å; D93-C95 VanDerWaalsContact O-N 3.14Å; D93-Y98 VanDerWaalsContact OD1-CD1 3.3Å; D93-Y98 WeakPolarHBondContact OD1-CD1 3.03Å; D93-Y98 WeakPolarHBondContact OD1-CE1 3.05Å |
| 94 | L | 87.4 | Confident | 89.1 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -68.5 | -8.1 | 172 | -62.7 | -179.8 | 0 | 0 | 0 | 112.5 | Q91 P92 P136 E138 | Q91-L94 HydrophobicContact CB-CD1 3.85Å; Q91-L94 HydrophobicContact CB-CG 3.95Å; Q91-L94 PolarHBondContact O-N 2.87Å; Q91-L94 VanDerWaalsContact O-N 3.15Å; P92-L94 PolarHBondContact O-N 3.34Å; L94-P136 HydrophobicContact CD1-CG 4.44Å; L94-E138 HydrophobicContact CD1-CB 3.94Å |
| 95 | C | 85.8 | Confident | 88.7 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.02 | 28% | 0.279 | C | S | . | . | trans | -98.6 | 120.2 | -179.4 | -160 | 0 | 0 | 0 | 0 | 111 | P92 D93 A97 Y98 C133 A135 | P92-C95 WeakPolarHBondContact O-CB 3.47Å; P92-C95 PolarHBondContact O-N 3.19Å; D93-C95 PolarHBondContact O-N 3.2Å; D93-C95 VanDerWaalsContact O-N 3.14Å; C95-A97 PolarHBondContact O-N 3.21Å; C95-A97 VanDerWaalsContact O-N 3.08Å; C95-Y98 WeakPolarHBondContact O-CA 3.36Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.9Å; C95-C133 HydrophobicContact CB-CB 4.39Å; C95-C133 WeakPolarHBondContact CB-SG 3.49Å; C95-C133 WeakPolarHBondContact SG-CA 3.49Å; C95-C133 WeakPolarHBondContact SG-CB 3.45Å; C95-C133 CovalentContact SG-SG 2.03Å; C95-C133 PolarHBondContact SG-SG 2.89Å; C95-A135 HydrophobicContact CB-CB 4.29Å | ||
| 96 | Q | 82.9 | Confident | 88.4 | Confident | 180 Ų | 180 | 62 Ų | 62 | 84% | 0.841 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -57.7 | -28.7 | 174 | -168.2 | 179.5 | 9.2 | 0 | 0 | 112.3 | Y98 S99 | Q96-Y98 PolarHBondContact O-N 2.03Å; Q96-Y98 VanDerWaalsContact O-N 3.09Å; Q96-S99 WeakPolarHBondContact O-CB 3.3Å; Q96-S99 PolarHBondContact O-N 3Å; Q96-S99 PolarHBondContact O-OG 3.43Å |
| 97 | A | 81.6 | Confident | 88 | Confident | 32 Ų | 32 | 62.1 Ų | 62.1 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -72.8 | 10 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | C95 A103 S132 | C95-A97 PolarHBondContact O-N 3.21Å; C95-A97 VanDerWaalsContact O-N 3.08Å; A97-A103 VanDerWaalsContact O-CB 3.28Å; A97-A103 WeakPolarHBondContact O-CB 3.26Å; A97-S132 WeakPolarHBondContact CB-O 3.42Å |
| 98 | Y | 85.5 | Confident | 87.7 | Confident | 19 Ų | 19 | 59.4 Ų | 59.4 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -123.6 | 14.7 | 176.1 | -159.5 | -100.9 | 0 | 0 | 0 | 112.3 | P92 D93 C95 Q96 Q104 H107 W108 | P92-Y98 HydrophobicContact CB-CD1 3.79Å; P92-Y98 HydrophobicContact CB-CD2 3.83Å; P92-Y98 HydrophobicContact CB-CE1 3.84Å; P92-Y98 HydrophobicContact CB-CE2 3.88Å; P92-Y98 HydrophobicContact CB-CG 3.81Å; P92-Y98 HydrophobicContact CG-CD1 4.15Å; P92-Y98 HydrophobicContact CG-CE1 3.77Å; P92-Y98 HydrophobicContact CG-CE2 4.34Å; P92-Y98 WeakPolarHBondContact O-CB 3.4Å; D93-Y98 VanDerWaalsContact OD1-CD1 3.3Å; D93-Y98 WeakPolarHBondContact OD1-CD1 3.03Å; D93-Y98 WeakPolarHBondContact OD1-CE1 3.05Å; C95-Y98 WeakPolarHBondContact O-CA 3.36Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 2.9Å; Q96-Y98 PolarHBondContact O-N 2.03Å; Q96-Y98 VanDerWaalsContact O-N 3.09Å; Y98-Q104 HydrophobicContact CD1-CG 3.75Å; Y98-Q104 HydrophobicContact CD2-CB 4.08Å; Y98-Q104 HydrophobicContact CD2-CG 3.74Å; Y98-Q104 HydrophobicContact CE1-CB 4.44Å; Y98-Q104 HydrophobicContact CE1-CG 3.57Å; Y98-Q104 HydrophobicContact CE2-CB 3.65Å; Y98-Q104 HydrophobicContact CE2-CG 3.57Å; Y98-Q104 HydrophobicContact CG-CG 3.81Å; Y98-Q104 VanDerWaalsContact CZ-CG 3.46Å; Y98-Q104 WeakPolarHBondContact O-CG 3.05Å; Y98-Q104 PolarHBondContact O-NE2 3.02Å; Y98-H107 HydrophobicContact CD2-CB 3.72Å; Y98-H107 AromaticContact CD2-CG 3.7Å; Y98-H107 HydrophobicContact CE2-CB 4.03Å; Y98-W108 HydrophobicContact CE2-CZ2 4.48Å; Y98-W108 AromaticContact CE2-NE1 3.69Å; Y98-W108 AromaticContact CZ-NE1 3.82Å; Y98-W108 PolarHBondContact OH-NE1 2.76Å |
| 99 | S | 83.8 | Confident | 87.5 | Confident | 92 Ų | 92 | 67.2 Ų | 67.2 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -70 | -32.6 | -172.8 | 57.7 | 0 | 0 | 0 | 0 | 115.4 | Q96 | Q96-S99 WeakPolarHBondContact O-CB 3.3Å; Q96-S99 PolarHBondContact O-N 3Å; Q96-S99 PolarHBondContact O-OG 3.43Å |
| 100 | D | 86.9 | Confident | 87.4 | Confident | 80 Ų | 80 | 69.2 Ų | 69.2 | 43% | 0.428 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -124.2 | 164 | -176.5 | 76 | 46 | 0 | 0 | 0 | 112.6 | K102 A103 Q104 | D100-K102 VanDerWaalsContact C-N 3.28Å; D100-K102 PolarHBondContact O-N 2.82Å; D100-K102 WeakPolarHBondContact OD1-CA 3.06Å; D100-K102 WeakPolarHBondContact OD1-CB 3.38Å; D100-K102 PolarHBondContact OD1-N 3.46Å; D100-A103 WeakPolarHBondContact O-CB 3.28Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.08Å; D100-A103 WeakPolarHBondContact OD1-CB 3.43Å; D100-A103 PolarHBondContact OD1-N 3.47Å; D100-Q104 VanDerWaalsContact O-CG 3.27Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.24Å |
| 101 | R | 85.1 | Confident | 87.3 | Confident | 124 Ų | 124 | 69 Ų | 69 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.7 | -36.3 | -178.4 | -72 | -147.7 | -71.5 | 146.4 | -3.1 | 113.8 | N45 V47 V105 | N45-R101 VanDerWaalsContact CA-NH1 3.25Å; N45-R101 VanDerWaalsContact O-CZ 3.31Å; N45-R101 PolarHBondContact O-NH1 3.21Å; N45-R101 PolarHBondContact OD1-NH1 3.25Å; N45-R101 PolarHBondContact OD1-NH2 3.05Å; V47-R101 HydrophobicContact CG2-CB 4.2Å; V47-R101 HydrophobicContact CG2-CG 3.84Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.08Å |
| 102 | K | 87.8 | Confident | 87.4 | Confident | 170 Ų | 170 | 66.7 Ų | 66.7 | 74% | 0.739 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70.1 | -39.5 | 179 | -65.1 | -179.3 | -179.9 | 177.7 | 0 | 110.7 | D100 V105 R106 | D100-K102 VanDerWaalsContact C-N 3.28Å; D100-K102 PolarHBondContact O-N 2.82Å; D100-K102 WeakPolarHBondContact OD1-CA 3.06Å; D100-K102 WeakPolarHBondContact OD1-CB 3.38Å; D100-K102 PolarHBondContact OD1-N 3.46Å; K102-V105 PolarHBondContact O-N 3.26Å; K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.14Å |
| 103 | A | 86.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 68 Ų | 68 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A97 D100 R106 H107 | A97-A103 VanDerWaalsContact O-CB 3.28Å; A97-A103 WeakPolarHBondContact O-CB 3.26Å; D100-A103 WeakPolarHBondContact O-CB 3.28Å; D100-A103 PolarHBondContact O-N 3.12Å; D100-A103 VanDerWaalsContact O-N 3.08Å; D100-A103 WeakPolarHBondContact OD1-CB 3.43Å; D100-A103 PolarHBondContact OD1-N 3.47Å; A103-R106 PolarHBondContact O-N 3.02Å; A103-H107 WeakPolarHBondContact O-CB 3.24Å; A103-H107 PolarHBondContact O-N 2.7Å |
| 104 | Q | 86.9 | Confident | 88 | Confident | 40 Ų | 40 | 67.2 Ų | 67.2 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 174.5 | -62.4 | -179.4 | 13.3 | 0 | 0 | 112.2 | V47 Y98 D100 R106 H107 W108 | V47-Q104 HydrophobicContact CG1-CB 3.63Å; V47-Q104 HydrophobicContact CG2-CB 4.11Å; Y98-Q104 HydrophobicContact CD1-CG 3.75Å; Y98-Q104 HydrophobicContact CD2-CB 4.08Å; Y98-Q104 HydrophobicContact CD2-CG 3.74Å; Y98-Q104 HydrophobicContact CE1-CB 4.44Å; Y98-Q104 HydrophobicContact CE1-CG 3.57Å; Y98-Q104 HydrophobicContact CE2-CB 3.65Å; Y98-Q104 HydrophobicContact CE2-CG 3.57Å; Y98-Q104 HydrophobicContact CG-CG 3.81Å; Y98-Q104 VanDerWaalsContact CZ-CG 3.46Å; Y98-Q104 WeakPolarHBondContact O-CG 3.05Å; Y98-Q104 PolarHBondContact O-NE2 3.02Å; D100-Q104 VanDerWaalsContact O-CG 3.27Å; D100-Q104 WeakPolarHBondContact O-CG 3.47Å; D100-Q104 PolarHBondContact O-N 3.24Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.32Å; Q104-H107 WeakPolarHBondContact O-CB 3.25Å; Q104-H107 PolarHBondContact O-N 2.82Å; Q104-W108 PolarHBondContact O-N 3.41Å; Q104-W108 VanDerWaalsContact O-N 3.07Å |
| 105 | V | 87.5 | Confident | 88.3 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 175.1 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | P48 R101 K102 W108 K109 | P48-V105 VanDerWaalsContact CD-CG2 3.45Å; P48-V105 HydrophobicContact CG-CB 4.43Å; P48-V105 HydrophobicContact CG-CG1 4.38Å; P48-V105 HydrophobicContact CG-CG2 3.95Å; R101-V105 WeakPolarHBondContact O-CG2 3.4Å; R101-V105 PolarHBondContact O-N 3.08Å; K102-V105 PolarHBondContact O-N 3.26Å; V105-W108 PolarHBondContact O-N 3.27Å; V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.43Å |
| 106 | R | 88.4 | Confident | 88.7 | Confident | 153 Ų | 153 | 68.8 Ų | 68.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 178.1 | -174.2 | -171.7 | -65.2 | 140.1 | -3.2 | 111.4 | K102 A103 Q104 K109 Q110 | K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.14Å; A103-R106 PolarHBondContact O-N 3.02Å; Q104-R106 VanDerWaalsContact C-N 3.32Å; Q104-R106 PolarHBondContact O-N 3.32Å; R106-K109 PolarHBondContact O-N 2.83Å; R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 2.86Å |
| 107 | H | 88.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 2% | 0.019 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.5 | -52 | 178 | -175.9 | 101.7 | 0 | 0 | 0 | 111 | Y98 A103 Q104 K109 Q110 L111 T130 | Y98-H107 HydrophobicContact CD2-CB 3.72Å; Y98-H107 AromaticContact CD2-CG 3.7Å; Y98-H107 HydrophobicContact CE2-CB 4.03Å; A103-H107 WeakPolarHBondContact O-CB 3.24Å; A103-H107 PolarHBondContact O-N 2.7Å; Q104-H107 WeakPolarHBondContact O-CB 3.25Å; Q104-H107 PolarHBondContact O-N 2.82Å; H107-K109 PolarHBondContact O-N 3.46Å; H107-Q110 WeakPolarHBondContact O-CB 3.4Å; H107-Q110 PolarHBondContact O-N 2.9Å; H107-Q110 VanDerWaalsContact O-N 3.15Å; H107-L111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-L111 PolarHBondContact O-N 2.65Å; H107-T130 PolarHBondContact CE1-OG1 3.21Å |
| 108 | W | 89.4 | Confident | 89.8 | Confident | 3 Ų | 3 | 68.6 Ų | 68.6 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 178.1 | -66.3 | 116.4 | 0 | 0 | 0 | 112.3 | W63 T65 V71 L73 Y98 Q104 V105 Q110 L111 V112 M141 | W63-W108 HydrophobicContact CH2-CB 3.99Å; W63-W108 HydrophobicContact CH2-CG 4.22Å; W63-W108 HydrophobicContact CZ3-CD2 4.28Å; W63-W108 HydrophobicContact CZ3-CE3 4.19Å; W63-W108 HydrophobicContact CZ3-CG 4.43Å; T65-W108 HydrophobicContact CG2-CD2 4.25Å; T65-W108 HydrophobicContact CG2-CE3 3.95Å; T65-W108 HydrophobicContact CG2-CH2 3.32Å; T65-W108 HydrophobicContact CG2-CZ2 3.65Å; T65-W108 HydrophobicContact CG2-CZ3 3.48Å; T65-W108 VanDerWaalsContact CG2-CZ3 3.48Å; V71-W108 HydrophobicContact CG1-CH2 3.81Å; V71-W108 HydrophobicContact CG1-CZ2 3.97Å; L73-W108 HydrophobicContact CB-CZ3 4.31Å; L73-W108 HydrophobicContact CD1-CZ3 4.11Å; L73-W108 HydrophobicContact CD2-CZ3 4.3Å; L73-W108 HydrophobicContact CG-CZ3 4.48Å; Y98-W108 HydrophobicContact CE2-CZ2 4.48Å; Y98-W108 AromaticContact CE2-NE1 3.69Å; Y98-W108 AromaticContact CZ-NE1 3.82Å; Y98-W108 PolarHBondContact OH-NE1 2.76Å; Q104-W108 PolarHBondContact O-N 3.41Å; Q104-W108 VanDerWaalsContact O-N 3.07Å; V105-W108 PolarHBondContact O-N 3.27Å; W108-Q110 VanDerWaalsContact C-N 3.26Å; W108-Q110 PolarHBondContact O-N 2.77Å; W108-L111 HydrophobicContact CE3-CD1 3.77Å; W108-L111 HydrophobicContact CZ3-CD1 3.69Å; W108-L111 PolarHBondContact O-N 3.06Å; W108-V112 WeakPolarHBondContact O-CB 3.11Å; W108-V112 VanDerWaalsContact O-CG2 3.28Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 2.83Å; W108-M141 HydrophobicContact CH2-CE 3.97Å |
| 109 | K | 90.9 | Very high | 90 | Very high | 165 Ų | 165 | 77 Ų | 77 | 72% | 0.717 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59 | -37.5 | 174.6 | -171.4 | 174.2 | -177.1 | 175.2 | 0 | 112.2 | V105 R106 H107 G113 | V105-K109 WeakPolarHBondContact O-CB 3.2Å; V105-K109 PolarHBondContact O-N 3.43Å; R106-K109 PolarHBondContact O-N 2.83Å; H107-K109 PolarHBondContact O-N 3.46Å; K109-G113 WeakPolarHBondContact O-CA 3.06Å; K109-G113 PolarHBondContact O-N 3.37Å |
| 110 | Q | 91.8 | Very high | 90.4 | Very high | 65 Ų | 65 | 73.3 Ų | 73.3 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.9 | -43.4 | 177 | -74.1 | 172.2 | -40 | 0 | 0 | 112.1 | R106 H107 W108 G113 K114 T130 S132 | R106-Q110 WeakPolarHBondContact O-CG 3.39Å; R106-Q110 PolarHBondContact O-N 2.86Å; H107-Q110 WeakPolarHBondContact O-CB 3.4Å; H107-Q110 PolarHBondContact O-N 2.9Å; H107-Q110 VanDerWaalsContact O-N 3.15Å; W108-Q110 VanDerWaalsContact C-N 3.26Å; W108-Q110 PolarHBondContact O-N 2.77Å; Q110-G113 PolarHBondContact O-N 2.85Å; Q110-K114 PolarHBondContact O-N 3.07Å; Q110-T130 HydrophobicContact CB-CG2 3.92Å; Q110-T130 HydrophobicContact CG-CG2 4.4Å; Q110-S132 PolarHBondContact OE1-OG 2.87Å; Q110-S132 VanDerWaalsContact OE1-OG 3.11Å |
| 111 | L | 91.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.6 | -50.7 | 176.6 | -68.9 | 179.8 | 0 | 0 | 0 | 111.7 | H107 W108 G113 K114 L115 L128 T130 M141 | H107-L111 WeakPolarHBondContact NE2-CD1 3.43Å; H107-L111 PolarHBondContact O-N 2.65Å; W108-L111 HydrophobicContact CE3-CD1 3.77Å; W108-L111 HydrophobicContact CZ3-CD1 3.69Å; W108-L111 PolarHBondContact O-N 3.06Å; L111-G113 VanDerWaalsContact C-N 3.27Å; L111-G113 PolarHBondContact O-N 3.05Å; L111-K114 WeakPolarHBondContact O-CB 3.36Å; L111-K114 PolarHBondContact O-N 2.86Å; L111-L115 PolarHBondContact O-N 3.34Å; L111-L115 VanDerWaalsContact O-N 3.07Å; L111-L128 HydrophobicContact CD2-CB 3.71Å; L111-T130 WeakPolarHBondContact CD2-OG1 3.44Å; L111-M141 HydrophobicContact CD1-CG 3.99Å |
| 112 | V | 93.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 64 Ų | 64 | 12% | 0.121 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.5 | -39.2 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 110.6 | F53 W63 W108 K114 L115 K116 | F53-V112 HydrophobicContact CB-CG1 3.97Å; F53-V112 HydrophobicContact CD1-CG1 3.82Å; F53-V112 HydrophobicContact CG-CG1 3.97Å; W63-V112 HydrophobicContact CD2-CG2 3.95Å; W63-V112 HydrophobicContact CG-CG2 4.19Å; W63-V112 HydrophobicContact CZ2-CG2 3.9Å; W108-V112 WeakPolarHBondContact O-CB 3.11Å; W108-V112 VanDerWaalsContact O-CG2 3.28Å; W108-V112 WeakPolarHBondContact O-CG2 3.44Å; W108-V112 PolarHBondContact O-N 2.83Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.17Å; V112-L115 PolarHBondContact O-N 2.74Å; V112-K116 WeakPolarHBondContact O-CB 3.49Å; V112-K116 PolarHBondContact O-N 3.46Å |
| 113 | G | 93.4 | Very high | 91 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.8 | -33.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K109 Q110 L111 K117 | K109-G113 WeakPolarHBondContact O-CA 3.06Å; K109-G113 PolarHBondContact O-N 3.37Å; Q110-G113 PolarHBondContact O-N 2.85Å; L111-G113 VanDerWaalsContact C-N 3.27Å; L111-G113 PolarHBondContact O-N 3.05Å; G113-K117 WeakPolarHBondContact O-CG 3.29Å |
| 114 | K | 92.6 | Very high | 90.9 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 33% | 0.326 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 172.1 | -76.1 | -173.5 | 166.5 | -161.9 | 0 | 111.9 | Q110 L111 V112 K116 K117 K129 | Q110-K114 PolarHBondContact O-N 3.07Å; L111-K114 WeakPolarHBondContact O-CB 3.36Å; L111-K114 PolarHBondContact O-N 2.86Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 3.17Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 2.86Å; K114-K117 PolarHBondContact O-N 3.17Å; K114-K129 WeakPolarHBondContact CD-O 3.37Å; K114-K129 WeakPolarHBondContact CE-O 3.4Å; K114-K129 PolarHBondContact NZ-O 3.31Å |
| 115 | L | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 177.7 | -66.2 | 171.4 | 0 | 0 | 0 | 111.6 | F53 L73 V75 L111 V112 K117 R118 A121 L128 | F53-L115 HydrophobicContact CE1-CB 4.46Å; F53-L115 HydrophobicContact CE1-CD1 4.4Å; F53-L115 HydrophobicContact CE2-CB 3.8Å; F53-L115 HydrophobicContact CZ-CB 3.7Å; F53-L115 HydrophobicContact CZ-CD1 4.17Å; L73-L115 HydrophobicContact CD2-CD1 4.48Å; V75-L115 HydrophobicContact CG2-CD1 3.87Å; L111-L115 PolarHBondContact O-N 3.34Å; L111-L115 VanDerWaalsContact O-N 3.07Å; V112-L115 PolarHBondContact O-N 2.74Å; L115-K117 PolarHBondContact O-N 3.04Å; L115-R118 WeakPolarHBondContact O-CB 3.39Å; L115-R118 PolarHBondContact O-N 2.91Å; L115-R118 VanDerWaalsContact O-N 3.12Å; L115-A121 HydrophobicContact CD2-CB 4.49Å; L115-A121 VanDerWaalsContact CD2-O 3.22Å; L115-A121 WeakPolarHBondContact CD2-O 3.26Å; L115-L128 HydrophobicContact CD1-CD1 4.39Å; L115-L128 HydrophobicContact CD2-CD1 4Å; L115-L128 HydrophobicContact CD2-CD2 4.04Å; L115-L128 HydrophobicContact CG-CD1 4.33Å |
| 116 | K | 94 | Very high | 91 | Very high | 124 Ų | 124 | 69.4 Ų | 69.4 | 54% | 0.539 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.4 | -36.5 | 176.9 | -159.9 | -173.5 | 176.8 | 173.2 | 0 | 113 | F53 S54 T55 K56 V112 K114 R118 | F53-K116 HydrophobicContact CD2-CB 4.31Å; S54-K116 WeakPolarHBondContact O-CG 3.46Å; T55-K116 CarbonylContact C-O 3.57Å; K56-K116 PolarHBondContact N-O 2.92Å; K56-K116 VanDerWaalsContact N-O 3.14Å; V112-K116 WeakPolarHBondContact O-CB 3.49Å; V112-K116 PolarHBondContact O-N 3.46Å; K114-K116 VanDerWaalsContact C-N 3.31Å; K114-K116 PolarHBondContact O-N 2.86Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.99Å |
| 117 | K | 92.8 | Very high | 91.2 | Very high | 170 Ų | 170 | 63.4 Ų | 63.4 | 74% | 0.739 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -13.9 | -177.4 | -69.9 | 176.6 | -177.3 | -169.1 | 0 | 113.6 | G113 K114 L115 | G113-K117 WeakPolarHBondContact O-CG 3.29Å; K114-K117 PolarHBondContact O-N 3.17Å; L115-K117 PolarHBondContact O-N 3.04Å |
| 118 | R | 93.5 | Very high | 91.2 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 14% | 0.143 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -77.4 | 155.6 | 178.6 | -63.1 | 174.5 | 170.3 | -162.9 | -5.7 | 110.3 | T55 K56 Y88 L115 K116 S120 A121 D123 E125 L128 | T55-R118 WeakPolarHBondContact CB-O 3.32Å; K56-R118 WeakPolarHBondContact CB-O 3.29Å; K56-R118 PolarHBondContact N-O 2.65Å; Y88-R118 PolarHBondContact OH-NH1 3.29Å; L115-R118 WeakPolarHBondContact O-CB 3.39Å; L115-R118 PolarHBondContact O-N 2.91Å; L115-R118 VanDerWaalsContact O-N 3.12Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.99Å; R118-S120 WeakPolarHBondContact CB-O 3.19Å; R118-A121 PolarHBondContact NH1-O 2.8Å; R118-D123 WeakPolarHBondContact CD-O 3.43Å; R118-E125 PolarHBondContact NH2-O 3.15Å; R118-L128 VanDerWaalsContact NH2-CD2 3.31Å |
| 119 | R | 91.5 | Very high | 91 | Very high | 196 Ų | 196 | 67.3 Ų | 67.3 | 74% | 0.74 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -66.7 | -49.3 | 168.7 | -69.3 | -171.6 | 177.9 | -168 | -0.2 | 110.1 | T55 V57 | T55-R119 WeakPolarHBondContact CB-O 3.28Å; T55-R119 PolarHBondContact OG1-O 2.91Å; V57-R119 HydrophobicContact CG1-CB 3.99Å; V57-R119 HydrophobicContact CG1-CG 4.02Å; V57-R119 WeakPolarHBondContact CG2-O 3.45Å |
| 120 | S | 91.6 | Very high | 90.6 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 10% | 0.098 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -118.9 | 135.7 | 170.2 | 155.5 | 0 | 0 | 0 | 0 | 108.7 | Y84 R118 C122 D123 | Y84-S120 WeakPolarHBondContact CE2-OG 3.15Å; R118-S120 WeakPolarHBondContact CB-O 3.19Å; S120-C122 PolarHBondContact O-N 3.22Å; S120-D123 WeakPolarHBondContact CB-OD2 3.39Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 PolarHBondContact OG-OD2 3.43Å |
| 121 | A | 93.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -32.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F53 T55 V75 C77 Y84 L115 R118 | F53-A121 HydrophobicContact CE2-CB 4.06Å; F53-A121 HydrophobicContact CZ-CB 3.87Å; T55-A121 HydrophobicContact CG2-CB 4.07Å; V75-A121 HydrophobicContact CG1-CB 3.95Å; C77-A121 VanDerWaalsContact SG-CB 3.55Å; Y84-A121 HydrophobicContact CE2-CB 4.41Å; Y84-A121 PolarHBondContact OH-N 3Å; L115-A121 HydrophobicContact CD2-CB 4.49Å; L115-A121 VanDerWaalsContact CD2-O 3.22Å; L115-A121 WeakPolarHBondContact CD2-O 3.26Å; R118-A121 PolarHBondContact NH1-O 2.8Å |
| 122 | C | 92.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -6 | -175.7 | -58.8 | 0 | 0 | 0 | 0 | 114 | Y84 C86 S120 | Y84-C122 HydrophobicContact CD2-CB 4.08Å; Y84-C122 HydrophobicContact CE2-CB 4.21Å; C86-C122 HydrophobicContact CB-CB 3.63Å; C86-C122 WeakPolarHBondContact CB-SG 2.94Å; C86-C122 PolarHBondContact N-SG 2.03Å; C86-C122 VanDerWaalsContact N-SG 3.36Å; C86-C122 WeakPolarHBondContact SG-CA 3.31Å; C86-C122 WeakPolarHBondContact SG-CB 3.33Å; C86-C122 CovalentContact SG-SG 2.04Å; C86-C122 PolarHBondContact SG-SG 2.89Å; S120-C122 PolarHBondContact O-N 3.22Å |
| 123 | D | 86.7 | Confident | 87.7 | Confident | 85 Ų | 85 | 70.2 Ų | 70.2 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -103.4 | 129.1 | 179.3 | -61.3 | -42.5 | 0 | 0 | 0 | 110.3 | R118 S120 K146 | R118-D123 WeakPolarHBondContact CD-O 3.43Å; S120-D123 WeakPolarHBondContact CB-OD2 3.39Å; S120-D123 PolarHBondContact O-N 2.85Å; S120-D123 PolarHBondContact OG-OD2 3.43Å; D123-K146 IonicContact OD1-NZ 3.56Å |
| 124 | G | 85.2 | Confident | 86.7 | Confident | 59 Ų | 59 | 79.1 Ų | 79.1 | 61% | 0.608 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 138 | -156.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | K126 | G124-K126 PolarHBondContact O-N 3.02Š|
| 125 | E | 87.3 | Confident | 85.7 | Confident | 98 Ų | 98 | 76.6 Ų | 76.6 | 46% | 0.458 | 36% | 0.36 | S | S | . | . | trans | -56.1 | 126.8 | 177.7 | -166.5 | -178.1 | 179.3 | 0 | 0 | 110.2 | R118 V127 K129 | R118-E125 PolarHBondContact NH2-O 3.15Å; E125-V127 VanDerWaalsContact CD-O 3.28Å; E125-V127 WeakPolarHBondContact CG-O 3.1Å; E125-V127 PolarHBondContact O-N 3.07Å; E125-K129 WeakPolarHBondContact OE1-CE 3.48Å; E125-K129 IonicContact OE1-NZ 3.49Å; E125-K129 PolarHBondContact OE1-NZ 3.15Å | ||
| 126 | K | 89.1 | Confident | 84.8 | Confident | 154 Ų | 154 | 80 Ų | 80 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -66.1 | -14.5 | 178.6 | -63 | -178.2 | -177.2 | 176.2 | 0 | 112.4 | G124 K142 L143 | G124-K126 PolarHBondContact O-N 3.02Å; K126-K142 CarbonylContact O-C 3.5Å; K126-L143 HydrophobicContact CB-CB 4.21Å; K126-L143 HydrophobicContact CG-CD2 4.4Å; K126-L143 WeakPolarHBondContact O-CB 3.33Å; K126-L143 PolarHBondContact O-N 3.23Å |
| 127 | V | 91.2 | Very high | 84 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 16% | 0.164 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 116.5 | 178.4 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | E125 K129 H140 M141 K142 | E125-V127 VanDerWaalsContact CD-O 3.28Å; E125-V127 WeakPolarHBondContact CG-O 3.1Å; E125-V127 PolarHBondContact O-N 3.07Å; V127-K129 HydrophobicContact CG1-CG 3.87Å; V127-K129 PolarHBondContact O-N 3.41Å; V127-H140 HydrophobicContact CG1-CB 3.61Å; V127-M141 CarbonylContact C-O 3.57Å; V127-M141 WeakPolarHBondContact CA-O 3.06Å; V127-K142 HydrophobicContact CG1-CG 4.36Å; V127-K142 HydrophobicContact CG2-CG 4.18Å |
| 128 | L | 89.1 | Confident | 83.4 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 97.4 | 172.7 | -57.8 | 174.2 | 0 | 0 | 0 | 109.2 | L73 Y88 L111 L115 R118 M141 | L73-L128 HydrophobicContact CD2-CD1 4.17Å; Y88-L128 HydrophobicContact CD1-CD1 3.69Å; Y88-L128 HydrophobicContact CD1-CG 3.86Å; Y88-L128 HydrophobicContact CD2-CD1 4.1Å; Y88-L128 HydrophobicContact CE1-CD1 3.61Å; Y88-L128 HydrophobicContact CE1-CD2 4.3Å; Y88-L128 HydrophobicContact CE1-CG 3.6Å; Y88-L128 HydrophobicContact CE2-CD1 4.01Å; Y88-L128 HydrophobicContact CG-CD1 3.96Å; L111-L128 HydrophobicContact CD2-CB 3.71Å; L115-L128 HydrophobicContact CD1-CD1 4.39Å; L115-L128 HydrophobicContact CD2-CD1 4Å; L115-L128 HydrophobicContact CD2-CD2 4.04Å; L115-L128 HydrophobicContact CG-CD1 4.33Å; R118-L128 VanDerWaalsContact NH2-CD2 3.31Å; L128-M141 HydrophobicContact CB-CB 4.1Å; L128-M141 PolarHBondContact N-O 3.45Å; L128-M141 PolarHBondContact O-N 3.35Å |
| 129 | K | 85.6 | Confident | 82.9 | Confident | 87 Ų | 87 | 74 Ų | 74 | 38% | 0.378 | 36% | 0.361 | S | S | . | . | trans | -84.5 | 148.4 | 176.4 | -58.5 | 179.8 | -175.8 | 165 | 0 | 111.4 | K114 E125 V127 | K114-K129 WeakPolarHBondContact CD-O 3.37Å; K114-K129 WeakPolarHBondContact CE-O 3.4Å; K114-K129 PolarHBondContact NZ-O 3.31Å; E125-K129 WeakPolarHBondContact OE1-CE 3.48Å; E125-K129 IonicContact OE1-NZ 3.49Å; E125-K129 PolarHBondContact OE1-NZ 3.15Å; V127-K129 HydrophobicContact CG1-CG 3.87Å; V127-K129 PolarHBondContact O-N 3.41Å | ||
| 130 | T | 81.8 | Confident | 82.8 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.049 | 33% | 0.331 | C | S | . | . | trans | -109.1 | 130.5 | 171.4 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | H107 Q110 L111 S132 C133 | H107-T130 PolarHBondContact CE1-OG1 3.21Å; Q110-T130 HydrophobicContact CB-CG2 3.92Å; Q110-T130 HydrophobicContact CG-CG2 4.4Å; L111-T130 WeakPolarHBondContact CD2-OG1 3.44Å; T130-S132 WeakPolarHBondContact CG2-OG 3.28Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 VanDerWaalsContact O-N 3.15Å; T130-C133 PolarHBondContact O-N 3.44Å | ||
| 131 | R | 75.5 | Confident | 82.8 | Confident | 240 Ų | 240 | 65.1 Ų | 65.1 | 91% | 0.906 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.9 | -175.4 | -78 | -172.9 | 171.2 | -168.9 | -3.1 | 113.4 | C133 | R131-C133 VanDerWaalsContact C-N 3.34Š|
| 132 | S | 66.9 | Low | 82.8 | Confident | 53 Ų | 53 | 68 Ų | 68 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.6 | -178.7 | 46.4 | 0 | 0 | 0 | 0 | 113.9 | A97 Q110 T130 K134 | A97-S132 WeakPolarHBondContact CB-O 3.42Å; Q110-S132 PolarHBondContact OE1-OG 2.87Å; Q110-S132 VanDerWaalsContact OE1-OG 3.11Å; T130-S132 WeakPolarHBondContact CG2-OG 3.28Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 VanDerWaalsContact O-N 3.15Å; S132-K134 PolarHBondContact O-N 3.41Å |
| 133 | C | 73.6 | Confident | 83 | Confident | 10 Ų | 10 | 69.5 Ų | 69.5 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | trans | -98.9 | 87.9 | -174.4 | -162 | 0 | 0 | 0 | 0 | 111.1 | C95 T130 R131 A135 | C95-C133 HydrophobicContact CB-CB 4.39Å; C95-C133 WeakPolarHBondContact CB-SG 3.49Å; C95-C133 WeakPolarHBondContact SG-CA 3.49Å; C95-C133 WeakPolarHBondContact SG-CB 3.45Å; C95-C133 CovalentContact SG-SG 2.03Å; C95-C133 PolarHBondContact SG-SG 2.89Å; T130-C133 PolarHBondContact O-N 3.44Å; R131-C133 VanDerWaalsContact C-N 3.34Å; C133-A135 VanDerWaalsContact C-N 3.3Å; C133-A135 PolarHBondContact O-N 2.98Å | ||
| 134 | K | 72.6 | Confident | 83.4 | Confident | 215 Ų | 215 | 72.4 Ų | 72.4 | 94% | 0.935 | 36% | 0.355 | S | S | * | . | trans | -82.8 | 77.2 | 167.1 | -71.2 | -178.3 | 179.3 | 178.1 | 0 | 108.5 | S132 | S132-K134 PolarHBondContact O-N 3.41Š| ||
| 135 | A | 72.9 | Confident | 83.8 | Confident | 22 Ų | 22 | 73.6 Ų | 73.6 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -141.6 | 166.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | C95 C133 S139 | C95-A135 HydrophobicContact CB-CB 4.29Å; C133-A135 VanDerWaalsContact C-N 3.3Å; C133-A135 PolarHBondContact O-N 2.98Å; A135-S139 WeakPolarHBondContact CB-OG 3.47Å |
| 136 | P | 74.9 | Confident | 84.2 | Confident | 71 Ų | 71 | 74.8 Ų | 74.8 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | trans | -62 | 160.4 | -177.9 | 27.9 | -37.3 | 0 | 0 | 0 | 111.3 | L94 E138 S139 | L94-P136 HydrophobicContact CD1-CG 4.44Å; P136-E138 WeakPolarHBondContact CB-OE2 3.26Å; P136-E138 PolarHBondContact O-N 3.3Å; P136-S139 VanDerWaalsContact O-CB 3.32Å; P136-S139 WeakPolarHBondContact O-CB 3.27Å; P136-S139 PolarHBondContact O-N 3.3Å; P136-S139 PolarHBondContact O-OG 2.85Å | ||
| 137 | M | 77.2 | Confident | 84.3 | Confident | 110 Ų | 110 | 68.4 Ų | 68.4 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -58.8 | -23.6 | -169.8 | -70.6 | -168.7 | 68.7 | 0 | 0 | 113.4 | S139 H140 K142 | M137-S139 PolarHBondContact O-N 2.83Å; M137-H140 PolarHBondContact O-N 2.98Å; M137-K142 WeakPolarHBondContact O-CE 3.29Å; M137-K142 PolarHBondContact O-NZ 3.5Å |
| 138 | E | 79.8 | Confident | 84.4 | Confident | 94 Ų | 94 | 74.1 Ų | 74.1 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -63.2 | -28.2 | 176.9 | -66.5 | 60.1 | -124.7 | 0 | 0 | 112 | Q91 L94 P136 H140 K142 | Q91-E138 PolarHBondContact N-O 3.15Å; L94-E138 HydrophobicContact CD1-CB 3.94Å; P136-E138 WeakPolarHBondContact CB-OE2 3.26Å; P136-E138 PolarHBondContact O-N 3.3Å; E138-H140 VanDerWaalsContact C-N 3.28Å; E138-H140 PolarHBondContact O-N 3.12Å; E138-K142 IonicContact OE1-NZ 3.99Å |
| 139 | S | 83.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.007 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -71.6 | -22.6 | 176 | 70 | 0 | 0 | 0 | 0 | 113.9 | Q91 A135 P136 M137 | Q91-S139 VanDerWaalsContact O-CA 3.29Å; Q91-S139 WeakPolarHBondContact O-CA 2.96Å; A135-S139 WeakPolarHBondContact CB-OG 3.47Å; P136-S139 VanDerWaalsContact O-CB 3.32Å; P136-S139 WeakPolarHBondContact O-CB 3.27Å; P136-S139 PolarHBondContact O-N 3.3Å; P136-S139 PolarHBondContact O-OG 2.85Å; M137-S139 PolarHBondContact O-N 2.83Å |
| 140 | H | 89.1 | Confident | 82.9 | Confident | 24 Ų | 24 | 82 Ų | 82 | 11% | 0.111 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -82.1 | 146 | -178.3 | -60 | -30.9 | 0 | 0 | 0 | 111.2 | V127 M137 E138 K142 | V127-H140 HydrophobicContact CG1-CB 3.61Å; M137-H140 PolarHBondContact O-N 2.98Å; E138-H140 VanDerWaalsContact C-N 3.28Å; E138-H140 PolarHBondContact O-N 3.12Å; H140-K142 PolarHBondContact O-N 2.99Å |
| 141 | M | 91.6 | Very high | 81.7 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 111.3 | 177.9 | -73.7 | -63.3 | 158.5 | 0 | 0 | 110.3 | V71 T89 G90 P92 W108 L111 V127 L128 | V71-M141 HydrophobicContact CB-CE 3.94Å; V71-M141 HydrophobicContact CG1-CE 4.26Å; T89-M141 VanDerWaalsContact C-SD 3.57Å; G90-M141 PolarHBondContact N-SD 3.49Å; P92-M141 HydrophobicContact CB-CE 4.43Å; P92-M141 HydrophobicContact CG-CE 4.09Å; W108-M141 HydrophobicContact CH2-CE 3.97Å; L111-M141 HydrophobicContact CD1-CG 3.99Å; V127-M141 CarbonylContact C-O 3.57Å; V127-M141 WeakPolarHBondContact CA-O 3.06Å; L128-M141 HydrophobicContact CB-CB 4.1Å; L128-M141 PolarHBondContact N-O 3.45Å; L128-M141 PolarHBondContact O-N 3.35Å |
| 142 | K | 93.7 | Very high | 80.2 | Confident | 61 Ų | 61 | 82.4 Ų | 82.4 | 27% | 0.265 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.2 | -178.4 | -56.9 | -177.8 | -174.6 | 167.8 | 0 | 110.6 | Y88 T89 K126 V127 M137 E138 H140 K144 | Y88-K142 CarbonylContact C-O 3.48Å; Y88-K142 WeakPolarHBondContact CA-O 3.16Å; T89-K142 PolarHBondContact N-O 2.89Å; T89-K142 PolarHBondContact O-N 2.78Å; K126-K142 CarbonylContact O-C 3.5Å; V127-K142 HydrophobicContact CG1-CG 4.36Å; V127-K142 HydrophobicContact CG2-CG 4.18Å; M137-K142 WeakPolarHBondContact O-CE 3.29Å; M137-K142 PolarHBondContact O-NZ 3.5Å; E138-K142 IonicContact OE1-NZ 3.99Å; H140-K142 PolarHBondContact O-N 2.99Å; K142-K144 PolarHBondContact O-N 3.11Å |
| 143 | L | 95 | Very high | 78.9 | Confident | 37 Ų | 37 | 89.4 Ų | 89.4 | 19% | 0.194 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 122.3 | 175.8 | -175.6 | 69.9 | 0 | 0 | 0 | 109.1 | C86 Y88 K126 E145 K146 | C86-L143 HydrophobicContact CB-CD1 3.51Å; Y88-L143 HydrophobicContact CD1-CB 3.85Å; Y88-L143 HydrophobicContact CD1-CD1 4.21Å; Y88-L143 HydrophobicContact CD2-CD1 4.32Å; Y88-L143 HydrophobicContact CE1-CB 3.68Å; Y88-L143 HydrophobicContact CE1-CD1 3.82Å; Y88-L143 HydrophobicContact CE1-CG 4.32Å; Y88-L143 HydrophobicContact CE2-CD1 3.97Å; Y88-L143 HydrophobicContact CG-CD1 4.43Å; K126-L143 HydrophobicContact CB-CB 4.21Å; K126-L143 HydrophobicContact CG-CD2 4.4Å; K126-L143 WeakPolarHBondContact O-CB 3.33Å; K126-L143 PolarHBondContact O-N 3.23Å; L143-E145 WeakPolarHBondContact CD1-O 3.4Å; L143-K146 HydrophobicContact CD2-CD 4.4Å |
| 144 | K | 95.1 | Very high | 77.6 | Confident | 147 Ų | 147 | 95.5 Ų | 95.5 | 64% | 0.639 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -39.4 | 176 | -72.3 | -64 | -172 | 171.6 | 0 | 112.1 | R87 T89 K142 | R87-K144 PolarHBondContact O-N 3.04Å; T89-K144 HydrophobicContact CG2-CB 4.39Å; T89-K144 HydrophobicContact CG2-CG 3.58Å; T89-K144 WeakPolarHBondContact OG1-CE 3.47Å; T89-K144 WeakPolarHBondContact OG1-CG 3.44Å; K142-K144 PolarHBondContact O-N 3.11Å |
| 145 | E | 94.6 | Very high | 76.2 | Confident | 84 Ų | 84 | 90.5 Ų | 90.5 | 39% | 0.393 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 148.3 | -172.6 | -161.8 | 176.3 | -179.7 | 0 | 0 | 110.2 | W85 C86 R87 L143 | W85-E145 HydrophobicContact CH2-CB 4.27Å; W85-E145 HydrophobicContact CH2-CG 3.58Å; W85-E145 WeakPolarHBondContact CH2-OE1 3.28Å; W85-E145 HydrophobicContact CZ3-CB 4.04Å; W85-E145 HydrophobicContact CZ3-CG 3.86Å; C86-E145 CarbonylContact C-O 3.53Å; C86-E145 VanDerWaalsContact CA-O 3.27Å; C86-E145 WeakPolarHBondContact CA-O 3.4Å; R87-E145 HydrophobicContact CB-CB 4.27Å; R87-E145 IonicContact CZ-OE2 3.97Å; R87-E145 PolarHBondContact N-O 3Å; R87-E145 IonicContact NH1-OE2 2.7Å; R87-E145 PolarHBondContact NH1-OE2 3.48Å; R87-E145 PolarHBondContact O-N 3.32Å; L143-E145 WeakPolarHBondContact CD1-O 3.4Å |
| 146 | K | 94.8 | Very high | 74.8 | Confident | 123 Ų | 123 | 95.8 Ų | 95.8 | 54% | 0.535 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 150.3 | 168.3 | 63.3 | 171.7 | -178.5 | 173.6 | 0 | 110.1 | W85 C86 D123 L143 | W85-K146 CarbonylContact O-C 3.51Å; W85-K146 WeakPolarHBondContact O-CA 3.37Å; W85-K146 WeakPolarHBondContact O-CB 3.4Å; C86-K146 HydrophobicContact CB-CB 3.92Å; D123-K146 IonicContact OD1-NZ 3.56Å; L143-K146 HydrophobicContact CD2-CD 4.4Å |
| 147 | G | 92.9 | Very high | 73.3 | Confident | 20 Ų | 20 | 97.5 Ų | 97.5 | 21% | 0.206 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 161.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | Y84 W85 | Y84-G147 CarbonylContact C-O 3.52Å; Y84-G147 VanDerWaalsContact CA-O 3.31Å; Y84-G147 WeakPolarHBondContact CA-O 3.32Å; W85-G147 PolarHBondContact N-O 3.21Å; W85-G147 PolarHBondContact O-N 3.07Å |
| 148 | K | 92.3 | Very high | 71.6 | Confident | 147 Ų | 147 | 100.1 Ų | 100.1 | 64% | 0.639 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 125.2 | 169.9 | -67.4 | -176.5 | 175 | -172.2 | 0 | 107.9 | T83 R150 | T83-K148 CarbonylContact O-C 3.51Å; T83-K148 WeakPolarHBondContact O-CA 3.33Å; K148-R150 PolarHBondContact O-N 2.99Å |
| 149 | G | 78.5 | Confident | 69.7 | Low | 12 Ų | 12 | 101.8 Ų | 101.8 | 12% | 0.124 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 106.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | T83 G151 | T83-G149 PolarHBondContact N-O 3.38Å; T83-G149 PolarHBondContact O-N 2.86Å; T83-G149 WeakPolarHBondContact OG1-CA 3.3Å; T83-G149 PolarHBondContact OG1-O 2.98Å; G149-G151 PolarHBondContact O-N 3.27Å |
| 150 | R | 64.8 | Low | 67.5 | Low | 242 Ų | 242 | 107 Ų | 107 | 91% | 0.913 | 56% | 0.561 | S | S | * | * | trans | -68.7 | 124.1 | 163.5 | -76.2 | -179.3 | 167.6 | 169.9 | -3.9 | 107.2 | K148 K152 | K148-R150 PolarHBondContact O-N 2.99Å; R150-K152 PolarHBondContact O-N 3.23Å | ||
| 151 | G | 57.5 | Low | 64.9 | Low | 59 Ų | 59 | 112.8 Ų | 112.8 | 61% | 0.608 | 59% | 0.588 | S | S | * | * | trans | -53.3 | 140.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | G149 K153 | G149-G151 PolarHBondContact O-N 3.27Å; G151-K153 PolarHBondContact O-N 2.72Å | ||
| 152 | K | 44 | Very low | 62.5 | Low | 197 Ų | 197 | 120.1 Ų | 120.1 | 86% | 0.857 | 62% | 0.624 | S | S | * | * | trans | -50 | 103.9 | -178.7 | -173.4 | 172.3 | 177.2 | -178 | 0 | 109.7 | R150 | R150-K152 PolarHBondContact O-N 3.23Š| ||
| 153 | K | 38.9 | Very low | 59.5 | Low | 200 Ų | 200 | 124 Ų | 124 | 87% | 0.87 | 65% | 0.653 | S | S | * | * | trans | -130.6 | 119.3 | 164 | -139.3 | 178.7 | -172.7 | -179.7 | 0 | 104.8 | G151 | G151-K153 PolarHBondContact O-N 2.72Š| ||
| 154 | D | 45.4 | Very low | 56.5 | Low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | trans | -56.2 | 147.1 | -166.4 | -60.9 | -64.8 | 0 | 0 | 0 | 112.7 | ||||
| 155 | S | 44.8 | Very low | 53.3 | Low | 109 Ų | 109 | 132.4 Ų | 132.4 | 76% | 0.762 | 69% | 0.691 | S | S | * | * | trans | -60.8 | 129.3 | -178.6 | 48.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 156 | V | 41.9 | Very low | 50.2 | Low | 134 Ų | 134 | 136.2 Ų | 136.2 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | -132.9 | 112.2 | 140 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 157 | S | 44.9 | Very low | 47.2 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | -63.3 | 130.4 | 165.7 | -76.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 158 | L | 41 | Very low | 44.1 | Very low | 164 Ų | 164 | 147.2 Ų | 147.2 | 86% | 0.859 | 75% | 0.754 | S | S | * | * | trans | -142.6 | 111.8 | 141.4 | -71.2 | 178.2 | 0 | 0 | 0 | 107.9 | ||||
| 159 | V | 39.2 | Very low | 41.1 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | trans | -94.6 | 135.5 | 156.1 | 179 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 160 | P | 37.8 | Very low | 38.7 | Very low | 111 Ų | 111 | 154.3 Ų | 154.3 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -134.3 | 136.4 | 95 | 10.5 | 13.6 | 0 | 0 | 0 | 111.6 | |||||
| 161 | E | 34.4 | Very low | 37 | Very low | 146 Ų | 146 | 150 Ų | 150 | 68% | 0.682 | 78% | 0.779 | S | S | * | * | 94.3 | 112 | 75.7 | -158.8 | 176.1 | 133 | 0 | 0 | 112 | |||||
| 162 | M | 41.3 | Very low | 35.8 | Very low | 154 Ų | 154 | 155.3 Ų | 155.3 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | 32.6 | 114.6 | 140.6 | -44.5 | -174.3 | -82.6 | 0 | 0 | 119.1 | ||||
| 163 | V | 30.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 152 Ų | 152 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -150.8 | 128.9 | 135.4 | -164.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 164 | E | 32.4 | Very low | 35 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -53.2 | 160.8 | 165.4 | -68.7 | 165.8 | 124.1 | 0 | 0 | 112.8 | ||||
| 165 | K | 28.1 | Very low | 34.3 | Very low | 174 Ų | 174 | 147.9 Ų | 147.9 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | 158.4 | 116.3 | 112.5 | -168.6 | 164.4 | -172.7 | -179 | 0 | 113 | |||||
| 166 | E | 29.3 | Very low | 33.7 | Very low | 164 Ų | 164 | 149 Ų | 149 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | 41.9 | 133.1 | 138.4 | -59.4 | 176.8 | 136.7 | 0 | 0 | 123 | ||||
| 167 | E | 31.7 | Very low | 33.1 | Very low | 193 Ų | 193 | 150.2 Ų | 150.2 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | trans | -57 | 146.1 | 154.4 | -54.8 | 174.6 | 138.6 | 0 | 0 | 112.3 | ||||
| 168 | K | 27.1 | Very low | 32.5 | Very low | 181 Ų | 181 | 153 Ų | 153 | 79% | 0.787 | 77% | 0.773 | S | S | * | * | 173.8 | 111.5 | 123.7 | -170.1 | 171.9 | 179.8 | -171.2 | 0 | 112.3 | |||||
| 169 | K | 29.6 | Very low | 32.1 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | 39.2 | 146.6 | 124.3 | -137.6 | -170.9 | 168.7 | -158.2 | 0 | 121.7 | |||||
| 170 | E | 29.3 | Very low | 31.7 | Very low | 137 Ų | 137 | 154.7 Ų | 154.7 | 64% | 0.64 | 76% | 0.764 | S | S | * | * | trans | 102.3 | 100.5 | 154.8 | -58.5 | 168 | -163.1 | 0 | 0 | 113.2 | ||||
| 171 | D | 27.4 | Very low | 31.4 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | 60.8 | 100.8 | 78.4 | -167.8 | 68.1 | 0 | 0 | 0 | 112.3 | |||||
| 172 | M | 33.4 | Very low | 31.4 | Very low | 169 Ų | 169 | 154.6 Ų | 154.6 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -172.3 | 102.4 | 143.4 | -158.2 | 162.3 | 170 | 0 | 0 | 110.8 | ||||
| 173 | T | 32.4 | Very low | 31.3 | Very low | 127 Ų | 127 | 152.6 Ų | 152.6 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -81.9 | 145 | 156.5 | 1.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 174 | P | 34 | Very low | 31.6 | Very low | 109 Ų | 109 | 153.2 Ų | 153.2 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | -146.3 | 116.9 | 118 | 30.1 | -10.5 | 0 | 0 | 0 | 114.8 | |||||
| 175 | L | 29.7 | Very low | 31.7 | Very low | 145 Ų | 145 | 150.8 Ų | 150.8 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | 30.2 | 138.3 | 122.2 | -110.3 | 154.1 | 0 | 0 | 0 | 123.3 | |||||
| 176 | L | 32.2 | Very low | 32.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 69% | 0.691 | 76% | 0.76 | S | S | * | * | trans | 89.4 | 135.6 | 156.4 | -52.8 | 170 | 0 | 0 | 0 | 116.3 | ||||
| 177 | E | 30.4 | Very low | 32.6 | Very low | 160 Ų | 160 | 149.3 Ų | 149.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | cis | -166.7 | 162.9 | 5 | -114.2 | 172 | 176.4 | 0 | 0 | 110.4 | ||||
| 178 | E | 31.5 | Very low | 33.2 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 77% | 0.766 | 74% | 0.742 | S | S | * | * | trans | 2.8 | 153.3 | 162.4 | -42.6 | -154.8 | 134.5 | 0 | 0 | 121.5 | ||||
| 179 | R | 33.3 | Very low | 34.4 | Very low | 200 Ų | 200 | 141 Ų | 141 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | cis | -176.8 | 155.9 | 44.1 | -158.9 | -171 | 161.7 | 127.6 | -3.5 | 110.5 | ||||
| 180 | D | 29.9 | Very low | 35.2 | Very low | 129 Ų | 129 | 139.6 Ų | 139.6 | 69% | 0.69 | 73% | 0.734 | S | S | * | * | trans | 28 | 132.3 | 156.2 | 59.1 | 3.2 | 0 | 0 | 0 | 124 | ||||
| 181 | G | 30.8 | Very low | 36.8 | Very low | 74 Ų | 74 | 138.1 Ų | 138.1 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | trans | -175.7 | 83.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 182 | E | 34.4 | Very low | 38.5 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | 58.3 | 121.4 | 146.7 | -141.1 | 96.5 | 128 | 0 | 0 | 121.4 | ||||
| 183 | V | 39.3 | Very low | 40.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.685 | 70% | 0.697 | S | S | * | * | trans | -64.8 | 139.1 | 167.6 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 184 | N | 37.1 | Very low | 42.5 | Very low | 156 Ų | 156 | 130.9 Ų | 130.9 | 83% | 0.834 | 69% | 0.687 | S | S | * | * | trans | -127.2 | 122.7 | 150.1 | -89.9 | -73.9 | 0 | 0 | 0 | 110.3 | ||||
| 185 | D | 35.3 | Very low | 43.8 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 70% | 0.695 | S | S | * | * | trans | -44.7 | 139.5 | 176.9 | -78.3 | -78.5 | 0 | 0 | 0 | 118.5 | ||||
| 186 | M | 35.3 | Very low | 45.7 | Very low | 150 Ų | 150 | 131.6 Ų | 131.6 | 74% | 0.739 | 70% | 0.698 | S | S | * | * | 87 | 100.4 | 123.3 | -154.6 | 165.9 | -151.9 | 0 | 0 | 120.6 | |||||
| 187 | E | 40.9 | Very low | 47.8 | Very low | 158 Ų | 158 | 133.5 Ų | 133.5 | 74% | 0.738 | 70% | 0.696 | S | S | * | * | trans | 67.9 | 151.8 | 130.8 | -66.3 | -172.8 | 150.6 | 0 | 0 | 120.8 | ||||
| 188 | P | 43.2 | Very low | 49.8 | Very low | 84 Ų | 84 | 131.6 Ų | 131.6 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | cis | -123.5 | 156.8 | 17.3 | 23.3 | 0.9 | 0 | 0 | 0 | 115.2 | E190 | P188-E190 HydrophobicContact CB-CG 3.93Å; P188-E190 HydrophobicContact CG-CG 3.79Å; P188-E190 PolarHBondContact O-N 3.14Å | ||
| 189 | V | 52.7 | Low | 51.8 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 69% | 0.691 | 69% | 0.686 | S | S | * | * | trans | -66.7 | 75.4 | 167 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | N191 Y192 | V189-N191 PolarHBondContact O-N 2.83Å; V189-Y192 HydrophobicContact CG1-CD2 4.24Å; V189-Y192 HydrophobicContact CG1-CE2 3.66Å | ||
| 190 | E | 47.7 | Very low | 54 | Low | 143 Ų | 143 | 122.5 Ų | 122.5 | 67% | 0.668 | 67% | 0.669 | S | S | * | * | trans | -96.6 | 99.8 | 179.6 | -77.9 | -174.9 | 164.8 | 0 | 0 | 110 | P188 | P188-E190 HydrophobicContact CB-CG 3.93Å; P188-E190 HydrophobicContact CG-CG 3.79Å; P188-E190 PolarHBondContact O-N 3.14Å | ||
| 191 | N | 61.1 | Low | 56.3 | Low | 106 Ų | 106 | 117.7 Ų | 117.7 | 57% | 0.567 | 65% | 0.645 | S | S | * | * | trans | 75.5 | 71.6 | 147.2 | -48.9 | -29 | 0 | 0 | 0 | 114.9 | V189 C193 | V189-N191 PolarHBondContact O-N 2.83Å; N191-C193 PolarHBondContact O-N 2.89Å | ||
| 192 | Y | 64.4 | Low | 58.4 | Low | 210 Ų | 210 | 117 Ų | 117 | 82% | 0.824 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -47.1 | -26.2 | 159.6 | -73.9 | -77.6 | 0 | 0 | 0 | 112.5 | V189 | V189-Y192 HydrophobicContact CG1-CD2 4.24Å; V189-Y192 HydrophobicContact CG1-CE2 3.66Å |
| 193 | C | 74.3 | Confident | 60.6 | Low | 18 Ų | 18 | 114.8 Ų | 114.8 | 12% | 0.122 | 62% | 0.616 | C | S | . | * | S | Bend | trans | -101.8 | 111.1 | 176.2 | -54.5 | 0 | 0 | 0 | 0 | 111 | N191 C201 | N191-C193 PolarHBondContact O-N 2.89Å; C193-C201 WeakPolarHBondContact CA-SG 3.34Å; C193-C201 HydrophobicContact CB-CB 3.49Å; C193-C201 VanDerWaalsContact CB-CB 3.49Å; C193-C201 WeakPolarHBondContact CB-SG 3.42Å; C193-C201 WeakPolarHBondContact SG-CB 3.27Å; C193-C201 CovalentContact SG-SG 2.02Å; C193-C201 PolarHBondContact SG-SG 3.19Å |
| 194 | A | 74.8 | Confident | 62.5 | Low | 68 Ų | 68 | 114.6 Ų | 114.6 | 56% | 0.562 | 61% | 0.607 | S | S | * | * | trans | -58.4 | 147.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G196 W197 | A194-G196 PolarHBondContact O-N 2.94Å; A194-W197 PolarHBondContact O-N 3.31Å; A194-W197 VanDerWaalsContact O-N 3.09Å | ||
| 195 | E | 62.6 | Low | 64.5 | Low | 190 Ų | 190 | 110 Ų | 110 | 89% | 0.888 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 129.2 | 176.2 | -74.1 | -176 | 156.6 | 0 | 0 | 110.8 | ||
| 196 | G | 68.8 | Low | 66.2 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 81% | 0.814 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.9 | -11.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A194 | A194-G196 PolarHBondContact O-N 2.94Š|
| 197 | W | 76.3 | Confident | 68.1 | Low | 173 Ų | 173 | 106.9 Ų | 106.9 | 66% | 0.655 | 57% | 0.57 | S | S | * | * | trans | -119.7 | 9.1 | -179.4 | -68.2 | 84.4 | 0 | 0 | 0 | 114.4 | A194 S199 V200 C201 | A194-W197 PolarHBondContact O-N 3.31Å; A194-W197 VanDerWaalsContact O-N 3.09Å; W197-S199 VanDerWaalsContact C-N 3.26Å; W197-S199 PolarHBondContact O-N 2.86Å; W197-S199 VanDerWaalsContact O-N 3.14Å; W197-V200 HydrophobicContact CE3-CB 4.26Å; W197-V200 HydrophobicContact CE3-CG2 4.32Å; W197-V200 PolarHBondContact O-N 3.08Å; W197-V200 VanDerWaalsContact O-N 3.08Å; W197-C201 VanDerWaalsContact O-CB 3.25Å; W197-C201 WeakPolarHBondContact O-CB 3.36Å; W197-C201 PolarHBondContact O-N 3.15Å | ||
| 198 | H | 72.1 | Confident | 69.3 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -54.3 | -38.4 | -172.9 | -143.1 | -83.9 | 0 | 0 | 0 | 113.9 | S202 | H198-S202 WeakPolarHBondContact O-CB 3.49Å; H198-S202 PolarHBondContact O-N 3.45Å |
| 199 | S | 74.2 | Confident | 70 | Confident | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -43.7 | 178.5 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | W197 F203 | W197-S199 VanDerWaalsContact C-N 3.26Å; W197-S199 PolarHBondContact O-N 2.86Å; W197-S199 VanDerWaalsContact O-N 3.14Å; S199-F203 PolarHBondContact O-N 3.09Å |
| 200 | V | 78 | Confident | 69.6 | Low | 66 Ų | 66 | 111.6 Ų | 111.6 | 40% | 0.4 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -77.5 | -43 | -179.5 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | W197 F203 F204 | W197-V200 HydrophobicContact CE3-CB 4.26Å; W197-V200 HydrophobicContact CE3-CG2 4.32Å; W197-V200 PolarHBondContact O-N 3.08Å; W197-V200 VanDerWaalsContact O-N 3.08Å; V200-F203 WeakPolarHBondContact O-CB 3.44Å; V200-F203 PolarHBondContact O-N 3.4Å; V200-F204 HydrophobicContact CG1-CD2 3.74Å; V200-F204 HydrophobicContact CG1-CE2 3.57Å; V200-F204 WeakPolarHBondContact O-CD2 3.33Å; V200-F204 PolarHBondContact O-N 2.76Å; V200-F204 VanDerWaalsContact O-N 3.16Å |
| 201 | C | 80 | Confident | 70.7 | Confident | 27 Ų | 27 | 110 Ų | 110 | 18% | 0.182 | 61% | 0.606 | C | S | . | * | H | α-helix | trans | -62.4 | -43.7 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 112 | C193 W197 F203 F204 V205 | C193-C201 WeakPolarHBondContact CA-SG 3.34Å; C193-C201 HydrophobicContact CB-CB 3.49Å; C193-C201 VanDerWaalsContact CB-CB 3.49Å; C193-C201 WeakPolarHBondContact CB-SG 3.42Å; C193-C201 WeakPolarHBondContact SG-CB 3.27Å; C193-C201 CovalentContact SG-SG 2.02Å; C193-C201 PolarHBondContact SG-SG 3.19Å; W197-C201 VanDerWaalsContact O-CB 3.25Å; W197-C201 WeakPolarHBondContact O-CB 3.36Å; W197-C201 PolarHBondContact O-N 3.15Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 2.9Å; C201-F204 PolarHBondContact O-N 3.08Å; C201-V205 WeakPolarHBondContact O-CG2 3.18Å; C201-V205 PolarHBondContact O-N 2.74Å |
| 202 | S | 74.9 | Confident | 71.3 | Confident | 60 Ų | 60 | 110.2 Ų | 110.2 | 42% | 0.42 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -59.6 | -41.3 | 174 | 173 | 0 | 0 | 0 | 0 | 113 | H198 F204 S206 | H198-S202 WeakPolarHBondContact O-CB 3.49Å; H198-S202 PolarHBondContact O-N 3.45Å; S202-F204 PolarHBondContact O-N 3.04Å; S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.17Å; S202-S206 PolarHBondContact O-OG 3.05Å |
| 203 | F | 79.6 | Confident | 71.6 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 59% | 0.588 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -61 | -44 | 176.6 | 175.8 | -96.8 | 0 | 0 | 0 | 112.4 | S199 V200 C201 F207 | S199-F203 PolarHBondContact O-N 3.09Å; V200-F203 WeakPolarHBondContact O-CB 3.44Å; V200-F203 PolarHBondContact O-N 3.4Å; C201-F203 VanDerWaalsContact C-N 3.35Å; C201-F203 PolarHBondContact O-N 2.9Å; F203-F207 PolarHBondContact O-N 2.65Å |
| 204 | F | 79.9 | Confident | 71.5 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 48% | 0.478 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -74.3 | -39.1 | -178.9 | -78.5 | -74 | 0 | 0 | 0 | 113 | V200 C201 S202 S206 F207 F208 | V200-F204 HydrophobicContact CG1-CD2 3.74Å; V200-F204 HydrophobicContact CG1-CE2 3.57Å; V200-F204 WeakPolarHBondContact O-CD2 3.33Å; V200-F204 PolarHBondContact O-N 2.76Å; V200-F204 VanDerWaalsContact O-N 3.16Å; C201-F204 PolarHBondContact O-N 3.08Å; S202-F204 PolarHBondContact O-N 3.04Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.13Å; F204-F207 WeakPolarHBondContact O-CB 3.44Å; F204-F207 PolarHBondContact O-N 2.99Å; F204-F207 VanDerWaalsContact O-N 3.16Å; F204-F208 VanDerWaalsContact O-CD2 3.24Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 2.79Å |
| 205 | V | 79.2 | Confident | 71.3 | Confident | 61 Ų | 61 | 112.4 Ų | 112.4 | 37% | 0.37 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.7 | -46.4 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | C201 F207 F208 E209 | C201-V205 WeakPolarHBondContact O-CG2 3.18Å; C201-V205 PolarHBondContact O-N 2.74Å; V205-F207 PolarHBondContact O-N 2.79Å; V205-F207 VanDerWaalsContact O-N 3.16Å; V205-F208 PolarHBondContact O-N 3.38Å; V205-F208 VanDerWaalsContact O-N 3.11Å; V205-E209 VanDerWaalsContact CG1-OE2 3.23Å; V205-E209 WeakPolarHBondContact CG1-OE2 3.33Å; V205-E209 PolarHBondContact O-N 3.06Å |
| 206 | S | 70.4 | Confident | 71.8 | Confident | 77 Ų | 77 | 107.2 Ų | 107.2 | 54% | 0.538 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -62.7 | -24.7 | 177.3 | -52.1 | 0 | 0 | 0 | 0 | 113.6 | S202 F204 | S202-S206 WeakPolarHBondContact O-CB 3.18Å; S202-S206 PolarHBondContact O-N 3.17Å; S202-S206 PolarHBondContact O-OG 3.05Å; F204-S206 VanDerWaalsContact C-N 3.33Å; F204-S206 PolarHBondContact O-N 3.13Å |
| 207 | F | 74.4 | Confident | 72.1 | Confident | 140 Ų | 140 | 109.2 Ų | 109.2 | 61% | 0.614 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -79 | -28.3 | 177.8 | 179.7 | -94.1 | 0 | 0 | 0 | 113.1 | F203 F204 V205 | F203-F207 PolarHBondContact O-N 2.65Å; F204-F207 WeakPolarHBondContact O-CB 3.44Å; F204-F207 PolarHBondContact O-N 2.99Å; F204-F207 VanDerWaalsContact O-N 3.16Å; V205-F207 PolarHBondContact O-N 2.79Å; V205-F207 VanDerWaalsContact O-N 3.16Å |
| 208 | F | 67 | Low | 71.7 | Confident | 164 Ų | 164 | 104.3 Ų | 104.3 | 72% | 0.719 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -94.7 | -19.5 | 179.6 | -75.6 | -74.8 | 0 | 0 | 0 | 113.4 | F204 V205 | F204-F208 VanDerWaalsContact O-CD2 3.24Å; F204-F208 WeakPolarHBondContact O-CD2 3.42Å; F204-F208 PolarHBondContact O-N 2.79Å; V205-F208 PolarHBondContact O-N 3.38Å; V205-F208 VanDerWaalsContact O-N 3.11Å |
| 209 | E | 57.4 | Low | 71.7 | Confident | 164 Ų | 164 | 103.1 Ų | 103.1 | 77% | 0.766 | 60% | 0.595 | S | S | * | * | trans | -92.1 | 9.7 | 173.9 | -77.7 | -177 | 130.2 | 0 | 0 | 114.1 | V205 | V205-E209 VanDerWaalsContact CG1-OE2 3.23Å; V205-E209 WeakPolarHBondContact CG1-OE2 3.33Å; V205-E209 PolarHBondContact O-N 3.06Å | ||
| 210 | G | 45.4 | Very low | 71.5 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 100% | 1.309 | 58% | 0.58 | S | S | * | * | trans | -114 | 0 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 |
Retrieved 210 of 210 residues in 129.3 ms
(Link to these results)