| 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 | 39.7 | Very low | 36.9 | Very low | 230 Ų | 230 | 153.2 Ų | 153.2 | 100% | 1.133 | 86% | 0.862 | S | S | * | * | 0 | 118.2 | 0 | -71.3 | 166.1 | 130.5 | 0 | 0 | 107.6 | |||||
| 2 | N | 41.6 | Very low | 36.9 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 89% | 0.893 | 86% | 0.864 | S | S | * | * | trans | 58.3 | 119.2 | 161.4 | -45.9 | -20.4 | 0 | 0 | 0 | 116.2 | ||||
| 3 | G | 31.5 | Very low | 36.5 | Very low | 65 Ų | 65 | 163.6 Ų | 163.6 | 67% | 0.67 | 87% | 0.871 | S | S | * | * | cis | 120.9 | 132.8 | 29.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 4 | H | 41.7 | Very low | 36.3 | Very low | 193 Ų | 193 | 157.8 Ų | 157.8 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | trans | 100.6 | 84.7 | 160.9 | -55.5 | -77.4 | 0 | 0 | 0 | 121.2 | ||||
| 5 | A | 35.9 | Very low | 36.3 | Very low | 82 Ų | 82 | 156.2 Ų | 156.2 | 68% | 0.678 | 85% | 0.848 | S | S | * | * | 42.4 | 107.6 | 109.8 | 0 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 6 | T | 36.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 155.1 Ų | 155.1 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | 63.7 | 154.7 | 122.2 | 50 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 7 | P | 37.4 | Very low | 36.4 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 78% | 0.779 | 83% | 0.825 | S | S | * | * | trans | -103.8 | 167.2 | -154.1 | 41 | -33.2 | 0 | 0 | 0 | 115.4 | ||||
| 8 | T | 37.5 | Very low | 36.3 | Very low | 150 Ų | 150 | 147.5 Ų | 147.5 | 92% | 0.92 | 82% | 0.821 | S | S | * | * | trans | -118.9 | 116.4 | 177 | 43 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | S | 36.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -111.8 | 132.9 | 168.8 | 48 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 10 | R | 33.8 | Very low | 36.5 | Very low | 250 Ų | 250 | 144.3 Ų | 144.3 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 123.4 | -169.8 | -177 | 179 | -75.6 | -157.9 | -4 | 112.9 | ||
| 11 | L | 33.4 | Very low | 37.1 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 121.8 | 179.1 | -100.9 | 129.2 | 0 | 0 | 0 | 113.2 | ||
| 12 | Q | 36.9 | Very low | 37.5 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 135.8 | 159.8 | -77.6 | -173.8 | -58 | 0 | 0 | 110.4 | ||
| 13 | R | 31.2 | Very low | 38.3 | Very low | 253 Ų | 253 | 130.8 Ų | 130.8 | 96% | 0.955 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -79 | 116.7 | -177.1 | -117.9 | 172.6 | -83.5 | -141.2 | -4.7 | 110.6 | ||
| 14 | S | 34.1 | Very low | 39.3 | Very low | 82 Ų | 82 | 130 Ų | 130 | 57% | 0.573 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 132.2 | 170.5 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | K16 | S14-K16 PolarHBondContact O-N 3.06Š|
| 15 | T | 36.6 | Very low | 39.9 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | trans | -85.7 | 96.6 | 174.1 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 16 | K | 35.5 | Very low | 40.8 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 60% | 0.604 | 71% | 0.708 | S | S | * | * | trans | -78 | 113.5 | 169.8 | -75.1 | -179 | 174.4 | -175.5 | 0 | 109.8 | S14 Y57 | S14-K16 PolarHBondContact O-N 3.06Å; K16-Y57 HydrophobicContact CD-CE1 4.09Å; K16-Y57 HydrophobicContact CG-CE1 3.69Å | ||
| 17 | S | 38.3 | Very low | 41.6 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | trans | -110.5 | 124.9 | 166.2 | 57.7 | 0 | 0 | 0 | 0 | 108.9 | C19 | S17-C19 PolarHBondContact O-N 3.35Š| ||
| 18 | G | 35.1 | Very low | 42.4 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 75% | 0.753 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -71 | 84.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 19 | C | 37.4 | Very low | 43.1 | Very low | 63 Ų | 63 | 112.5 Ų | 112.5 | 43% | 0.426 | 62% | 0.624 | S | S | . | * | trans | -133.3 | 59.2 | 163.8 | -64.3 | 0 | 0 | 0 | 0 | 108.3 | S17 G21 | S17-C19 PolarHBondContact O-N 3.35Å; C19-G21 PolarHBondContact O-N 3.24Å | ||
| 20 | D | 38.6 | Very low | 43.9 | Very low | 168 Ų | 168 | 116.8 Ų | 116.8 | 90% | 0.898 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 100.5 | 178.8 | -62 | -44.7 | 0 | 0 | 0 | 108.9 | ||
| 21 | G | 48.6 | Very low | 44.5 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.2 | -2.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | C19 | C19-G21 PolarHBondContact O-N 3.24Š|
| 22 | F | 48.7 | Very low | 45.3 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 47% | 0.465 | 58% | 0.575 | S | S | . | * | trans | -99.8 | 98.8 | -178.1 | -138.1 | -116.8 | 0 | 0 | 0 | 110.6 | I24 L27 I162 | F22-I24 PolarHBondContact O-N 2.94Å; F22-L27 HydrophobicContact CD1-CD1 3.46Å; F22-L27 VanDerWaalsContact CD1-CD1 3.46Å; F22-L27 HydrophobicContact CE1-CD1 3.03Å; F22-L27 HydrophobicContact CE1-CG 4.36Å; F22-L27 HydrophobicContact CG-CD1 4.46Å; F22-L27 HydrophobicContact CZ-CD1 3.7Å; F22-I162 HydrophobicContact CD1-CG1 4.48Å; F22-I162 HydrophobicContact CE1-CD1 3.74Å; F22-I162 HydrophobicContact CE1-CG1 3.73Å; F22-I162 HydrophobicContact CE1-CG2 4.5Å; F22-I162 HydrophobicContact CZ-CD1 3.81Å; F22-I162 HydrophobicContact CZ-CG1 4.29Å | ||
| 23 | S | 58.5 | Low | 45.2 | Very low | 69 Ų | 69 | 99.2 Ų | 99.2 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | trans | -73.4 | 107.6 | 171.7 | 179.8 | 0 | 0 | 0 | 0 | 109.1 | D25 A26 | S23-D25 PolarHBondContact O-N 2.88Å; S23-A26 PolarHBondContact O-N 3.23Å | ||
| 24 | I | 53.2 | Low | 45.5 | Very low | 50 Ų | 50 | 92.6 Ų | 92.6 | 26% | 0.256 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -66.2 | -25.7 | 178.9 | -48.4 | 168.9 | 0 | 0 | 0 | 110.6 | F22 L27 L28 C165 | F22-I24 PolarHBondContact O-N 2.94Å; I24-L27 WeakPolarHBondContact O-CB 3.39Å; I24-L27 PolarHBondContact O-N 3.28Å; I24-L27 VanDerWaalsContact O-N 3.13Å; I24-L28 PolarHBondContact O-N 3.47Å; I24-C165 HydrophobicContact CD1-CB 4.04Å |
| 25 | D | 53.1 | Low | 45.6 | Very low | 99 Ų | 99 | 97.9 Ų | 97.9 | 53% | 0.529 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.5 | -39.4 | 178.4 | -58.5 | -39 | 0 | 0 | 0 | 111.9 | S23 L27 L28 E29 Q169 | S23-D25 PolarHBondContact O-N 2.88Å; D25-L27 PolarHBondContact O-N 3.45Å; D25-L28 WeakPolarHBondContact O-CB 3.47Å; D25-L28 PolarHBondContact O-N 3.04Å; D25-E29 PolarHBondContact O-N 3.2Å; D25-E29 VanDerWaalsContact O-N 3.12Å; D25-Q169 PolarHBondContact OD1-NE2 3.4Å |
| 26 | A | 55.3 | Low | 45.3 | Very low | 55 Ų | 55 | 95.1 Ų | 95.1 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.2 | -23.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | S23 | S23-A26 PolarHBondContact O-N 3.23Å |
| 27 | L | 53.9 | Low | 45.1 | Very low | 33 Ų | 33 | 97.8 Ų | 97.8 | 17% | 0.173 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -88.1 | -30.3 | 176.7 | -64.7 | 166.3 | 0 | 0 | 0 | 112.1 | F22 I24 D25 E29 R30 F153 | F22-L27 HydrophobicContact CD1-CD1 3.46Å; F22-L27 VanDerWaalsContact CD1-CD1 3.46Å; F22-L27 HydrophobicContact CE1-CD1 3.03Å; F22-L27 HydrophobicContact CE1-CG 4.36Å; F22-L27 HydrophobicContact CG-CD1 4.46Å; F22-L27 HydrophobicContact CZ-CD1 3.7Å; I24-L27 WeakPolarHBondContact O-CB 3.39Å; I24-L27 PolarHBondContact O-N 3.28Å; I24-L27 VanDerWaalsContact O-N 3.13Å; D25-L27 PolarHBondContact O-N 3.45Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-R30 PolarHBondContact O-N 3.25Å; L27-F153 HydrophobicContact CB-CZ 4.44Å; L27-F153 HydrophobicContact CD1-CE1 4.33Å; L27-F153 HydrophobicContact CD1-CZ 4.48Å; L27-F153 HydrophobicContact CD2-CE1 4.02Å; L27-F153 HydrophobicContact CD2-CZ 4.27Å |
| 28 | L | 53.5 | Low | 44.7 | Very low | 24 Ų | 24 | 97.5 Ų | 97.5 | 13% | 0.126 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -64.2 | -38.5 | 172.2 | -83.8 | 163.8 | 0 | 0 | 0 | 111.3 | I24 D25 R30 F31 T32 F166 Q169 | I24-L28 PolarHBondContact O-N 3.47Å; D25-L28 WeakPolarHBondContact O-CB 3.47Å; D25-L28 PolarHBondContact O-N 3.04Å; L28-R30 PolarHBondContact O-N 3.3Å; L28-F31 CarbonylContact O-C 3.37Å; L28-F31 WeakPolarHBondContact O-CA 3.3Å; L28-F31 PolarHBondContact O-N 3.41Å; L28-T32 PolarHBondContact O-N 3.4Å; L28-T32 PolarHBondContact O-OG1 3.37Å; L28-F166 HydrophobicContact CD2-CD2 4.45Å; L28-F166 HydrophobicContact CD2-CE2 3.58Å; L28-F166 HydrophobicContact CD2-CZ 4.43Å; L28-F166 HydrophobicContact CG-CE2 4.32Å; L28-Q169 VanDerWaalsContact CD1-NE2 3.35Å |
| 29 | E | 53.3 | Low | 44.4 | Very low | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -56.4 | -32.1 | 175.7 | -72.9 | -170.6 | 165.8 | 0 | 0 | 113.1 | D25 L27 F31 S33 W48 | D25-E29 PolarHBondContact O-N 3.2Å; D25-E29 VanDerWaalsContact O-N 3.12Å; L27-E29 VanDerWaalsContact C-N 3.32Å; E29-F31 VanDerWaalsContact C-N 3.26Å; E29-F31 PolarHBondContact O-N 3.49Å; E29-S33 PolarHBondContact O-N 3.11Å; E29-W48 WeakPolarHBondContact OE1-CH2 3.45Å |
| 30 | R | 53.7 | Low | 44.1 | Very low | 209 Ų | 209 | 105.6 Ų | 105.6 | 79% | 0.789 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.6 | -20.5 | 174.1 | -72.8 | -176.9 | 165.8 | -167.1 | -4.4 | 113.8 | L27 L28 | L27-R30 PolarHBondContact O-N 3.25Å; L28-R30 PolarHBondContact O-N 3.3Å |
| 31 | F | 46.6 | Very low | 43.7 | Very low | 67 Ų | 67 | 101 Ų | 101 | 29% | 0.294 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -105.4 | -19.2 | -179.6 | -78.7 | -84.5 | 0 | 0 | 0 | 113.8 | L28 E29 K148 F149 A152 F153 | L28-F31 CarbonylContact O-C 3.37Å; L28-F31 WeakPolarHBondContact O-CA 3.3Å; L28-F31 PolarHBondContact O-N 3.41Å; E29-F31 VanDerWaalsContact C-N 3.26Å; E29-F31 PolarHBondContact O-N 3.49Å; F31-K148 HydrophobicContact CE1-CB 3.95Å; F31-F149 HydrophobicContact CZ-CD2 4.43Å; F31-A152 HydrophobicContact CE2-CB 3.87Å; F31-A152 HydrophobicContact CZ-CB 3.52Å; F31-F153 AromaticContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CZ 4.23Å; F31-F153 HydrophobicContact CZ-CE2 4.27Å |
| 32 | T | 48.3 | Very low | 43 | Very low | 90 Ų | 90 | 102.7 Ų | 102.7 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -100.8 | -9.9 | -177.8 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | L28 P34 | L28-T32 PolarHBondContact O-N 3.4Å; L28-T32 PolarHBondContact O-OG1 3.37Å; T32-P34 WeakPolarHBondContact O-CD 3.49Å |
| 33 | S | 36.2 | Very low | 42.1 | Very low | 83 Ų | 83 | 104.3 Ų | 104.3 | 58% | 0.58 | 61% | 0.605 | S | S | * | * | trans | -70.1 | 113.6 | 176.9 | -156.7 | 0 | 0 | 0 | 0 | 111.5 | E29 H35 | E29-S33 PolarHBondContact O-N 3.11Å; S33-H35 PolarHBondContact O-N 3.42Å | ||
| 34 | P | 37.5 | Very low | 40.9 | Very low | 114 Ų | 114 | 106.8 Ų | 106.8 | 74% | 0.74 | 62% | 0.62 | S | S | * | * | trans | -94 | 81.5 | -176.5 | 35 | -25.4 | 0 | 0 | 0 | 109.5 | T32 A36 | T32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-A36 PolarHBondContact O-N 3.05Å | ||
| 35 | H | 35.4 | Very low | 39.9 | Very low | 192 Ų | 192 | 110 Ų | 110 | 89% | 0.889 | 64% | 0.642 | S | S | * | * | trans | -83.4 | 21.1 | 169.5 | -110.1 | -62.9 | 0 | 0 | 0 | 113.7 | S33 | S33-H35 PolarHBondContact O-N 3.42Š| ||
| 36 | A | 30.3 | Very low | 39.1 | Very low | 76 Ų | 76 | 112.8 Ų | 112.8 | 63% | 0.628 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -128.5 | 114 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P34 | P34-A36 PolarHBondContact O-N 3.05Š|
| 37 | Q | 31.2 | Very low | 37.9 | Very low | 196 Ų | 196 | 115.4 Ų | 115.4 | 92% | 0.916 | 67% | 0.668 | S | S | * | * | trans | 90.1 | 72.9 | 167.9 | -52.5 | 170.8 | 1 | 0 | 0 | 116.2 | ||||
| 38 | A | 29.7 | Very low | 36.6 | Very low | 93 Ų | 93 | 124 Ų | 124 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -114.2 | 128.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 39 | P | 30.3 | Very low | 35.9 | Very low | 121 Ų | 121 | 128.6 Ų | 128.6 | 79% | 0.786 | 73% | 0.729 | S | S | * | * | trans | -69.6 | 149.5 | 164.5 | 30.8 | -29.1 | 0 | 0 | 0 | 109.1 | G41 | P39-G41 PolarHBondContact O-N 3.13Š| ||
| 40 | I | 29.6 | Very low | 34.7 | Very low | 186 Ų | 186 | 133 Ų | 133 | 95% | 0.954 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -55.4 | 122.1 | -175.4 | -57.6 | 155.7 | 0 | 0 | 0 | 109.8 | ||
| 41 | G | 30.2 | Very low | 33.4 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | trans | 116.1 | 74.7 | 163 | 0 | 0 | 0 | 0 | 0 | 116.5 | P39 | P39-G41 PolarHBondContact O-N 3.13Š| ||
| 42 | S | 34.1 | Very low | 32.7 | Very low | 119 Ų | 119 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -172.5 | 125.8 | 142.4 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 43 | N | 29.1 | Very low | 31.7 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -57.3 | 127.1 | -179.5 | -177.8 | 5.3 | 0 | 0 | 0 | 113.7 | ||||
| 44 | P | 35 | Very low | 31.4 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -99.3 | 102.8 | 171.8 | 34.5 | -23.9 | 0 | 0 | 0 | 110.5 | ||||
| 45 | T | 32.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 80% | 0.798 | S | S | * | * | trans | -117.2 | 88.7 | 160.2 | -50.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 46 | I | 34.8 | Very low | 31.2 | Very low | 157 Ų | 157 | 137.5 Ų | 137.5 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -136 | 115.4 | 165.6 | -55.5 | 179.7 | 0 | 0 | 0 | 108 | ||||
| 47 | P | 30.6 | Very low | 31.3 | Very low | 111 Ų | 111 | 140.4 Ų | 140.4 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 141.3 | 175.4 | 19.8 | -8.7 | 0 | 0 | 0 | 111.1 | ||
| 48 | W | 26.4 | Very low | 31.5 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 80% | 0.803 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -53 | 134.4 | 174.2 | -63.3 | 67.1 | 0 | 0 | 0 | 111.5 | E29 | E29-W48 WeakPolarHBondContact OE1-CH2 3.45Š|
| 49 | P | 39.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 121 | 164.7 | 30.6 | -23.9 | 0 | 0 | 0 | 109.5 | ||
| 50 | F | 27.9 | Very low | 32.1 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -26.6 | 131.2 | 152.9 | -85 | -113.4 | 0 | 0 | 0 | 112.9 | ||||
| 51 | W | 26 | Very low | 32.3 | Very low | 249 Ų | 249 | 138.5 Ų | 138.5 | 94% | 0.943 | 77% | 0.766 | S | S | * | * | trans | -133.8 | 130.9 | 150.6 | -101.7 | 13.6 | 0 | 0 | 0 | 110.4 | ||||
| 52 | P | 31.9 | Very low | 32.4 | Very low | 112 Ų | 112 | 142.9 Ų | 142.9 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -78.4 | 145.1 | -173 | 32.8 | -34.1 | 0 | 0 | 0 | 111.5 | I54 | P52-I54 PolarHBondContact O-N 3.24Å; P52-I54 VanDerWaalsContact O-N 3.15Å | ||
| 53 | C | 27 | Very low | 32.3 | Very low | 133 Ų | 133 | 145.4 Ų | 145.4 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -55.3 | 110.2 | 171.4 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | S55 | C53-S55 PolarHBondContact O-N 3.07Š| ||
| 54 | I | 31.6 | Very low | 32.4 | Very low | 160 Ų | 160 | 150.3 Ų | 150.3 | 82% | 0.821 | 78% | 0.781 | S | S | * | * | trans | -92.3 | 92.8 | 161.6 | -57.8 | 174.1 | 0 | 0 | 0 | 107.6 | P52 | P52-I54 PolarHBondContact O-N 3.24Å; P52-I54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | S | 31.3 | Very low | 32.3 | Very low | 92 Ų | 92 | 153.8 Ų | 153.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 139.8 | 167.1 | 173.8 | 0 | 0 | 0 | 0 | 110.3 | C53 Y57 | C53-S55 PolarHBondContact O-N 3.07Å; S55-Y57 PolarHBondContact OG-N 3.45Å | ||
| 56 | P | 36.7 | Very low | 32.2 | Very low | 104 Ų | 104 | 156.3 Ų | 156.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -132.7 | 75.6 | 150.6 | 37.2 | -22 | 0 | 0 | 0 | 110.6 | ||||
| 57 | Y | 31.7 | Very low | 32.2 | Very low | 136 Ų | 136 | 154.4 Ų | 154.4 | 53% | 0.533 | 79% | 0.786 | S | S | . | * | trans | -136.2 | 98.3 | 157.8 | -70 | -68.3 | 0 | 0 | 0 | 111.3 | K16 S55 | K16-Y57 HydrophobicContact CD-CE1 4.09Å; K16-Y57 HydrophobicContact CG-CE1 3.69Å; S55-Y57 PolarHBondContact OG-N 3.45Å | ||
| 58 | R | 36.6 | Very low | 32.3 | Very low | 246 Ų | 246 | 157.4 Ų | 157.4 | 93% | 0.928 | 79% | 0.792 | S | S | * | * | trans | -119.5 | 117.2 | 154.9 | -167.8 | 177.2 | -102.5 | -114.7 | 2.8 | 107.1 | ||||
| 59 | T | 34.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 65% | 0.65 | 79% | 0.788 | S | S | * | * | trans | -65 | 159.7 | 172.1 | 46 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 60 | P | 37 | Very low | 32.5 | Very low | 118 Ų | 118 | 153.4 Ų | 153.4 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | -152.1 | 156.6 | 87.3 | 35.3 | -14 | 0 | 0 | 0 | 117.4 | |||||
| 61 | A | 33.7 | Very low | 32.8 | Very low | 86 Ų | 86 | 149.8 Ų | 149.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 60.2 | 114.9 | 140.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 62 | L | 32.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 58.3 | 89.8 | 137.5 | -61.3 | 172 | 0 | 0 | 0 | 118.9 | ||||
| 63 | M | 32 | Very low | 33.2 | Very low | 172 Ų | 172 | 143.3 Ų | 143.3 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -134.1 | 112.4 | 141.5 | -76.4 | -158.4 | 174.5 | 0 | 0 | 110.2 | F65 | M63-F65 PolarHBondContact O-N 3.34Å; M63-F65 VanDerWaalsContact O-N 3.16Å | ||
| 64 | R | 32.5 | Very low | 33.4 | Very low | 242 Ų | 242 | 141.5 Ų | 141.5 | 91% | 0.913 | 76% | 0.763 | S | S | * | * | trans | -58.8 | 107 | 169.8 | -73.8 | 173.3 | 168.7 | 157.5 | -4.3 | 108.7 | ||||
| 65 | F | 31.6 | Very low | 33.5 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 85% | 0.851 | 76% | 0.759 | S | S | * | * | trans | -85.5 | 111.1 | 164 | -88.2 | -86.6 | 0 | 0 | 0 | 108.5 | M63 | M63-F65 PolarHBondContact O-N 3.34Å; M63-F65 VanDerWaalsContact O-N 3.16Å | ||
| 66 | Q | 30.8 | Very low | 33.8 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 141.4 | 170.1 | -64.2 | -125.3 | -42.2 | 0 | 0 | 109.7 | ||
| 67 | P | 33.7 | Very low | 33.8 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133 | 174.9 | 27.9 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 68 | M | 32.6 | Very low | 33.9 | Very low | 173 Ų | 173 | 147.6 Ų | 147.6 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.5 | 169.9 | -69.7 | -71.5 | -179 | 0 | 0 | 109.4 | V70 | M68-V70 PolarHBondContact O-N 2.74Š|
| 69 | P | 36 | Very low | 33.8 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 130.9 | 179.7 | 27.6 | -31.7 | 0 | 0 | 0 | 110.2 | V71 | P69-V71 PolarHBondContact O-N 3.16Š|
| 70 | V | 34.2 | Very low | 33.9 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 104.7 | 167.6 | -177.9 | 0 | 0 | 0 | 0 | 106.7 | M68 | M68-V70 PolarHBondContact O-N 2.74Š| ||
| 71 | V | 34.7 | Very low | 34 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -78.2 | 122.9 | 176.6 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | P69 | P69-V71 PolarHBondContact O-N 3.16Š| ||
| 72 | P | 32.1 | Very low | 34 | Very low | 84 Ų | 84 | 149 Ų | 149 | 55% | 0.545 | 81% | 0.805 | S | S | . | * | trans | -73.2 | 152.9 | 177.5 | 30.9 | -33.8 | 0 | 0 | 0 | 110.9 | S74 | P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.43Å | ||
| 73 | P | 33.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -78 | 79.1 | 178.7 | 32.7 | -32.4 | 0 | 0 | 0 | 109.9 | ||
| 74 | S | 31.5 | Very low | 34.4 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | -159.2 | 70.4 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | P72 | P72-S74 VanDerWaalsContact C-N 3.29Å; P72-S74 PolarHBondContact O-N 3.43Å | ||
| 75 | A | 34.3 | Very low | 34.6 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | 178.6 | 72 | 159 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 76 | F | 36.8 | Very low | 34.8 | Very low | 212 Ų | 212 | 140.7 Ų | 140.7 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | trans | -139 | 57 | 157.6 | -92.5 | -79.6 | 0 | 0 | 0 | 108.6 | ||||
| 77 | L | 37.1 | Very low | 35.1 | Very low | 153 Ų | 153 | 136.8 Ų | 136.8 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -99.5 | 129.2 | 152.8 | -71.5 | 170.5 | 0 | 0 | 0 | 105 | ||
| 78 | N | 34.3 | Very low | 35.5 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 90.1 | 89.9 | 175.8 | -43.8 | -34.8 | 0 | 0 | 0 | 115.1 | ||
| 79 | G | 33.5 | Very low | 35.7 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 160.6 | 34.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 80 | L | 38.2 | Very low | 35.7 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -97 | 125.9 | 174.7 | -106.1 | 146 | 0 | 0 | 0 | 109.5 | R82 | L80-R82 PolarHBondContact O-N 2.87Š| ||
| 81 | P | 38.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -64.2 | 117.2 | 161.8 | -8.4 | 23.6 | 0 | 0 | 0 | 107.8 | M83 | P81-M83 PolarHBondContact O-N 3.39Š| ||
| 82 | R | 32.9 | Very low | 35.8 | Very low | 237 Ų | 237 | 135.7 Ų | 135.7 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -61.7 | 100.6 | 173.2 | -81.6 | -179.8 | 168.4 | -160.1 | -2.8 | 109.7 | L80 | L80-R82 PolarHBondContact O-N 2.87Š| ||
| 83 | M | 35 | Very low | 36.2 | Very low | 180 Ų | 180 | 139.3 Ų | 139.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | trans | -142.5 | 69.3 | 160.9 | -72.9 | -68.1 | 154.6 | 0 | 0 | 108.6 | P81 | P81-M83 PolarHBondContact O-N 3.39Š| ||
| 84 | L | 38.4 | Very low | 36.6 | Very low | 168 Ų | 168 | 137.7 Ų | 137.7 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -128.2 | 110.4 | 165.3 | -88.5 | 163 | 0 | 0 | 0 | 108.3 | ||||
| 85 | N | 36.5 | Very low | 36.9 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | trans | -53.4 | 120.9 | 174.9 | -177.3 | -2 | 0 | 0 | 0 | 110.6 | S87 | N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.28Å; N85-S87 VanDerWaalsContact O-N 3.16Å; N85-S87 PolarHBondContact OD1-OG 2.89Å | ||
| 86 | P | 36.3 | Very low | 37.4 | Very low | 137 Ų | 137 | 138.1 Ų | 138.1 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 19.8 | -173.6 | 9 | 3.1 | 0 | 0 | 0 | 115.8 | ||
| 87 | S | 38.5 | Very low | 38.1 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 12.8 | -168.5 | 57.1 | 0 | 0 | 0 | 0 | 116.8 | N85 | N85-S87 VanDerWaalsContact C-N 3.26Å; N85-S87 PolarHBondContact O-N 3.28Å; N85-S87 VanDerWaalsContact O-N 3.16Å; N85-S87 PolarHBondContact OD1-OG 2.89Å |
| 88 | L | 40.6 | Very low | 38.4 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -104.4 | 126.6 | 178.1 | -78.8 | 161.6 | 0 | 0 | 0 | 112.1 | A90 | L88-A90 PolarHBondContact O-N 3.37Š|
| 89 | P | 36.9 | Very low | 38.8 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | trans | -63.4 | 133.7 | 177.5 | 25.9 | -31.6 | 0 | 0 | 0 | 110.1 | F91 | P89-F91 HydrophobicContact CG-CE2 4.29Å; P89-F91 PolarHBondContact O-N 2.99Å | ||
| 90 | A | 36.1 | Very low | 38.9 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 88% | 0.884 | 72% | 0.723 | S | S | * | * | trans | -63.8 | 91.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L88 | L88-A90 PolarHBondContact O-N 3.37Š| ||
| 91 | F | 34.4 | Very low | 39.1 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 77% | 0.772 | 72% | 0.723 | S | S | * | * | trans | -68.1 | 135.2 | 165.2 | -86.7 | -85.9 | 0 | 0 | 0 | 109.1 | P89 L93 | P89-F91 HydrophobicContact CG-CE2 4.29Å; P89-F91 PolarHBondContact O-N 2.99Å; F91-L93 PolarHBondContact O-N 3.18Å; F91-L93 VanDerWaalsContact O-N 3.07Å | ||
| 92 | P | 36.1 | Very low | 38.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -65.8 | 114 | -179.7 | 27.6 | -32.4 | 0 | 0 | 0 | 108.8 | ||||
| 93 | L | 41.1 | Very low | 38.7 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -59.6 | 128.6 | 169.2 | -70.6 | 167.2 | 0 | 0 | 0 | 108 | F91 | F91-L93 PolarHBondContact O-N 3.18Å; F91-L93 VanDerWaalsContact O-N 3.07Å | ||
| 94 | P | 41.8 | Very low | 38.7 | Very low | 106 Ų | 106 | 121.7 Ų | 121.7 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | trans | -62.1 | 140.2 | 174.8 | 26.5 | -31.9 | 0 | 0 | 0 | 108.7 | C96 | P94-C96 PolarHBondContact O-N 2.84Å; P94-C96 VanDerWaalsContact O-N 3.09Å | ||
| 95 | P | 38.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 119.7 Ų | 119.7 | 71% | 0.708 | 71% | 0.707 | S | S | * | * | trans | -70.1 | 114.1 | -170.9 | 28.6 | -33.5 | 0 | 0 | 0 | 109.6 | T97 | P95-T97 HydrophobicContact CB-CG2 4.23Å; P95-T97 PolarHBondContact O-N 3.41Å | ||
| 96 | C | 44.6 | Very low | 38.9 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 57% | 0.568 | 71% | 0.71 | S | S | * | * | trans | -69.5 | 73 | 167.5 | -90.3 | 0 | 0 | 0 | 0 | 110.1 | P94 M98 | P94-C96 PolarHBondContact O-N 2.84Å; P94-C96 VanDerWaalsContact O-N 3.09Å; C96-M98 VanDerWaalsContact C-N 3.28Å | ||
| 97 | T | 50 | Low | 38.9 | Very low | 115 Ų | 115 | 118.3 Ų | 118.3 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | -82.1 | -2.2 | 173.2 | 48.3 | 0 | 0 | 0 | 0 | 113.4 | P95 W99 | P95-T97 HydrophobicContact CB-CG2 4.23Å; P95-T97 PolarHBondContact O-N 3.41Å; T97-W99 VanDerWaalsContact C-N 3.33Å; T97-W99 PolarHBondContact O-N 3.48Å | ||
| 98 | M | 45 | Very low | 38.7 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 51% | 0.512 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | 16.1 | -171.8 | -62.9 | -141.7 | -72.1 | 0 | 0 | 115.4 | C96 M225 | C96-M98 VanDerWaalsContact C-N 3.28Å; M98-M225 HydrophobicContact CE-CE 3.22Å; M98-M225 HydrophobicContact SD-CE 4.35Å |
| 99 | W | 41.7 | Very low | 38.4 | Very low | 155 Ų | 155 | 117.7 Ų | 117.7 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 10.4 | -173.5 | -72.8 | 52.9 | 0 | 0 | 0 | 113.7 | T97 P101 F231 | T97-W99 VanDerWaalsContact C-N 3.33Å; T97-W99 PolarHBondContact O-N 3.48Å; W99-P101 WeakPolarHBondContact O-CD 3.5Å; W99-F231 AromaticContact CH2-CD1 3.3Å; W99-F231 HydrophobicContact CH2-CD1 3.3Å; W99-F231 AromaticContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CG 4.44Å; W99-F231 HydrophobicContact CH2-CZ 4.41Å; W99-F231 AromaticContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CE1 4.08Å; W99-F231 HydrophobicContact CZ2-CG 4.48Å; W99-F231 HydrophobicContact CZ3-CD1 4.33Å; W99-F231 AromaticContact CZ3-CE1 3.93Å; W99-F231 HydrophobicContact CZ3-CE1 3.93Å |
| 100 | S | 36.3 | Very low | 38.4 | Very low | 67 Ų | 67 | 120.8 Ų | 120.8 | 47% | 0.469 | 71% | 0.713 | S | S | . | * | trans | -84.1 | 120.9 | 171.5 | -165.4 | 0 | 0 | 0 | 0 | 110.1 | F102 | S100-F102 PolarHBondContact O-N 3.34Š| ||
| 101 | P | 41.1 | Very low | 38.4 | Very low | 130 Ų | 130 | 124.6 Ų | 124.6 | 84% | 0.844 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 4.3 | 175.9 | -13.2 | 28.3 | 0 | 0 | 0 | 113.8 | W99 | W99-P101 WeakPolarHBondContact O-CD 3.5Š|
| 102 | F | 34.8 | Very low | 38.6 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 83% | 0.829 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.2 | -4 | -163.8 | -112.2 | -98.8 | 0 | 0 | 0 | 116.2 | S100 | S100-F102 PolarHBondContact O-N 3.34Š|
| 103 | C | 28.9 | Very low | 39 | Very low | 107 Ų | 107 | 119.8 Ų | 119.8 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | trans | -126.9 | 73 | -179.6 | -75.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 104 | A | 34.9 | Very low | 39.3 | Very low | 87 Ų | 87 | 119.9 Ų | 119.9 | 72% | 0.719 | 69% | 0.686 | S | S | * | * | trans | -147.3 | 57.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 108 | T106 | A104-T106 PolarHBondContact O-N 3.49Š| ||
| 105 | T | 35.7 | Very low | 38.8 | Very low | 125 Ų | 125 | 121.9 Ų | 121.9 | 77% | 0.767 | 69% | 0.686 | S | S | * | * | trans | -56.7 | 100.8 | 150.9 | -36.8 | 0 | 0 | 0 | 0 | 104.7 | S107 | T105-S107 PolarHBondContact O-N 3.27Š| ||
| 106 | T | 42.5 | Very low | 38.7 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | -68.9 | 72.8 | 168.3 | 50.5 | 0 | 0 | 0 | 0 | 107.9 | A104 G108 | A104-T106 PolarHBondContact O-N 3.49Å; T106-G108 PolarHBondContact O-N 2.88Å | ||
| 107 | S | 36.9 | Very low | 38.4 | Very low | 111 Ų | 111 | 119.4 Ų | 119.4 | 78% | 0.776 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 84.3 | 151.9 | 56.2 | 0 | 0 | 0 | 0 | 106.2 | T105 | T105-S107 PolarHBondContact O-N 3.27Š|
| 108 | G | 34.5 | Very low | 37.9 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175 | -23.6 | -178 | 0 | 0 | 0 | 0 | 0 | 118 | T106 | T106-G108 PolarHBondContact O-N 2.88Š|
| 109 | Q | 34.5 | Very low | 37.6 | Very low | 152 Ų | 152 | 123.1 Ų | 123.1 | 71% | 0.71 | 69% | 0.693 | S | S | * | * | trans | -139.4 | 35.9 | 177.1 | -71.6 | -148.5 | -25.7 | 0 | 0 | 114.5 | K111 | Q109-K111 VanDerWaalsContact C-N 3.28Å; Q109-K111 PolarHBondContact O-N 2.89Å | ||
| 110 | E | 36.8 | Very low | 37.5 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 6.7 | 175.4 | -109.5 | -176.9 | 149.8 | 0 | 0 | 114.8 | ||
| 111 | K | 37 | Very low | 38 | Very low | 188 Ų | 188 | 122.2 Ų | 122.2 | 82% | 0.817 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | 7.5 | -170.4 | -82.2 | -173.9 | 177.5 | -178.6 | 0 | 118.5 | Q109 | Q109-K111 VanDerWaalsContact C-N 3.28Å; Q109-K111 PolarHBondContact O-N 2.89Å |
| 112 | T | 38 | Very low | 38.1 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 58% | 0.577 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -138.4 | 3.7 | 178.8 | 55.8 | 0 | 0 | 0 | 0 | 117.4 | A116 | T112-A116 WeakPolarHBondContact O-CB 3.47Š|
| 113 | T | 45 | Very low | 38.6 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 61% | 0.607 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -108.3 | -14 | 177.9 | 55.8 | 0 | 0 | 0 | 0 | 115.4 | A117 | T113-A117 PolarHBondContact O-N 3.31Š|
| 114 | K | 45.8 | Very low | 39.8 | Very low | 161 Ų | 161 | 122.7 Ų | 122.7 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72.9 | -34.5 | 168.6 | -78.8 | 177.4 | 174.9 | 167 | 0 | 111.5 | ||
| 115 | E | 32.9 | Very low | 40.9 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 69% | 0.687 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.5 | -26.9 | 179.9 | -65 | 174.8 | 153.4 | 0 | 0 | 112.9 | D118 H119 | E115-D118 PolarHBondContact O-N 3.02Å; E115-H119 PolarHBondContact O-N 3.18Å |
| 116 | A | 35.7 | Very low | 42.3 | Very low | 67 Ų | 67 | 121.7 Ų | 121.7 | 55% | 0.554 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -79.3 | -17.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T112 | T112-A116 WeakPolarHBondContact O-CB 3.47Å |
| 117 | A | 39.2 | Very low | 43.8 | Very low | 74 Ų | 74 | 123 Ų | 123 | 61% | 0.612 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82.5 | -21 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T113 | T113-A117 PolarHBondContact O-N 3.31Å |
| 118 | D | 39.2 | Very low | 46 | Very low | 129 Ų | 129 | 125 Ų | 125 | 69% | 0.69 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -94.7 | -10.3 | -178 | -74.9 | -24.5 | 0 | 0 | 0 | 113.6 | E115 | E115-D118 PolarHBondContact O-N 3.02Å |
| 119 | H | 39.3 | Very low | 48.2 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 78% | 0.782 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -101.7 | 3.7 | -178.7 | -146.1 | -72.2 | 0 | 0 | 0 | 115.3 | E115 | E115-H119 PolarHBondContact O-N 3.18Š|
| 120 | V | 39.3 | Very low | 50.6 | Low | 119 Ų | 119 | 125.3 Ų | 125.3 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -128.6 | 75.5 | 173.8 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | ||
| 121 | S | 45.9 | Very low | 52.9 | Low | 84 Ų | 84 | 117.9 Ų | 117.9 | 59% | 0.587 | 62% | 0.616 | S | S | * | * | trans | 135.5 | 57.8 | 162.5 | -61.1 | 0 | 0 | 0 | 0 | 113.6 | S123 | S121-S123 WeakPolarHBondContact CB-OG 3.38Å; S121-S123 PolarHBondContact O-N 3.44Å | ||
| 122 | K | 42.7 | Very low | 55.1 | Low | 204 Ų | 204 | 114.4 Ų | 114.4 | 89% | 0.887 | 61% | 0.606 | S | S | * | * | trans | -72.1 | 21.4 | 136.1 | -80.4 | -178.7 | -176.9 | 171.2 | 0 | 111.5 | I124 | K122-I124 PolarHBondContact O-N 2.86Š| ||
| 123 | S | 46.4 | Very low | 57.2 | Low | 71 Ų | 71 | 115.3 Ų | 115.3 | 50% | 0.497 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -57.3 | 122.7 | 156.2 | 61 | 0 | 0 | 0 | 0 | 105.6 | S121 T125 | S121-S123 WeakPolarHBondContact CB-OG 3.38Å; S121-S123 PolarHBondContact O-N 3.44Å; S123-T125 WeakPolarHBondContact O-CG2 3.05Å; S123-T125 PolarHBondContact O-N 2.73Å |
| 124 | I | 53.5 | Low | 59.3 | Low | 161 Ų | 161 | 112.7 Ų | 112.7 | 83% | 0.826 | 60% | 0.597 | S | S | * | * | trans | -50.2 | 90.2 | 178.8 | -61.7 | 160.8 | 0 | 0 | 0 | 108.4 | K122 V126 | K122-I124 PolarHBondContact O-N 2.86Å; I124-V126 VanDerWaalsContact C-N 3.28Å; I124-V126 HydrophobicContact CG2-CG2 4.28Å; I124-V126 PolarHBondContact O-N 3.37Å | ||
| 125 | T | 58.9 | Low | 61.1 | Low | 82 Ų | 82 | 113 Ų | 113 | 50% | 0.503 | 60% | 0.601 | S | S | . | * | trans | -79.4 | 92.5 | 176.1 | 57.7 | 0 | 0 | 0 | 0 | 104.7 | S123 K127 | S123-T125 WeakPolarHBondContact O-CG2 3.05Å; S123-T125 PolarHBondContact O-N 2.73Å; T125-K127 PolarHBondContact O-N 3.3Å | ||
| 126 | V | 64.4 | Low | 63.7 | Low | 109 Ų | 109 | 111.8 Ų | 111.8 | 66% | 0.661 | 59% | 0.593 | S | S | * | * | trans | -50.3 | 115.6 | 172.2 | -179.8 | 0 | 0 | 0 | 0 | 106.7 | I124 K128 | I124-V126 VanDerWaalsContact C-N 3.28Å; I124-V126 HydrophobicContact CG2-CG2 4.28Å; I124-V126 PolarHBondContact O-N 3.37Å; V126-K128 PolarHBondContact O-N 3.17Å | ||
| 127 | K | 74.6 | Confident | 66.1 | Low | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 58% | 0.58 | S | S | * | * | trans | -71.2 | 77.2 | 175.6 | -66 | -179.8 | 175.9 | -179.1 | 0 | 108.1 | T125 Y129 A137 F138 | T125-K127 PolarHBondContact O-N 3.3Å; K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.47Å; K127-A137 HydrophobicContact CB-CB 3.57Å; K127-A137 HydrophobicContact CD-CB 3.83Å; K127-A137 WeakPolarHBondContact CD-O 3.44Å; K127-A137 HydrophobicContact CG-CB 4.32Å; K127-F138 CarbonylContact C-O 3.34Å; K127-F138 WeakPolarHBondContact CA-O 3.27Å | ||
| 128 | K | 82.2 | Confident | 68.3 | Low | 155 Ų | 155 | 108.6 Ų | 108.6 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | trans | -66.3 | -29.6 | -172.1 | -176.9 | 177 | -180 | 178.6 | 0 | 112.6 | V126 F138 | V126-K128 PolarHBondContact O-N 3.17Å; K128-F138 PolarHBondContact N-O 3.07Å | ||
| 129 | Y | 81.6 | Confident | 70.4 | Confident | 72 Ų | 72 | 105 Ų | 105 | 28% | 0.282 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.1 | -170 | -59.4 | -82.2 | 0 | 0 | 0 | 110.5 | K127 A137 F138 S141 | K127-Y129 VanDerWaalsContact C-N 3.29Å; K127-Y129 PolarHBondContact O-N 3.47Å; Y129-A137 CarbonylContact O-C 3.55Å; Y129-A137 WeakPolarHBondContact O-CA 3.24Å; Y129-F138 PolarHBondContact N-O 3.28Å; Y129-F138 VanDerWaalsContact N-O 3.13Å; Y129-F138 PolarHBondContact O-N 3.17Å; Y129-S141 VanDerWaalsContact CD2-N 3.33Å |
| 130 | K | 83.5 | Confident | 72.3 | Confident | 153 Ų | 153 | 101 Ų | 101 | 67% | 0.665 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 143 | 179 | -63.3 | -177.4 | 179.8 | -177.7 | 0 | 111 | A137 L144 | K130-A137 HydrophobicContact CG-CB 4.09Å; K130-L144 WeakPolarHBondContact O-CD2 3.44Å |
| 131 | C | 85.3 | Confident | 74.4 | Confident | 3 Ų | 3 | 97.2 Ų | 97.2 | 2% | 0.02 | 50% | 0.501 | C | S | . | . | trans | -78.4 | 130.7 | 168.1 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | V133 E135 K136 F138 L144 L151 | C131-V133 VanDerWaalsContact C-N 3.35Å; C131-V133 PolarHBondContact SG-N 2.72Å; C131-V133 VanDerWaalsContact SG-N 3.4Å; C131-E135 WeakPolarHBondContact O-CA 3.49Å; C131-E135 PolarHBondContact O-N 3.33Å; C131-K136 PolarHBondContact N-O 3.02Å; C131-F138 HydrophobicContact CB-CE2 4.3Å; C131-L144 HydrophobicContact CB-CD1 3.71Å; C131-L151 VanDerWaalsContact SG-CD1 3.59Å | ||
| 132 | D | 84.2 | Confident | 76.1 | Confident | 115 Ų | 115 | 93.9 Ų | 93.9 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.2 | 173 | 43.6 | -8.9 | 0 | 0 | 0 | 114 | K148 | D132-K148 WeakPolarHBondContact OD1-CE 3.35Å; D132-K148 IonicContact OD1-NZ 3.37Å; D132-K148 PolarHBondContact OD1-NZ 3.4Å; D132-K148 IonicContact OD2-NZ 2.93Å; D132-K148 PolarHBondContact OD2-NZ 3.34Å |
| 133 | V | 82.4 | Confident | 78.1 | Confident | 114 Ų | 114 | 86.7 Ų | 86.7 | 69% | 0.691 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -38.7 | -175.5 | -179.5 | 0 | 0 | 0 | 0 | 113.1 | C131 L151 | C131-V133 VanDerWaalsContact C-N 3.35Å; C131-V133 PolarHBondContact SG-N 2.72Å; C131-V133 VanDerWaalsContact SG-N 3.4Å; V133-L151 HydrophobicContact CB-CD1 4.14Å; V133-L151 HydrophobicContact CG1-CD1 4.39Å |
| 134 | C | 87.8 | Confident | 80 | Confident | 44 Ų | 44 | 84.3 Ų | 84.3 | 30% | 0.297 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 9.9 | -174.8 | 75.2 | 0 | 0 | 0 | 0 | 114.2 | K136 H147 L151 | C134-K136 PolarHBondContact O-N 3.46Å; C134-K136 VanDerWaalsContact SG-CG 3.51Å; C134-H147 VanDerWaalsContact SG-CE1 3.55Å; C134-H147 PolarHBondContact SG-NE2 3.09Å; C134-L151 HydrophobicContact CB-CD1 4.45Å |
| 135 | E | 83.6 | Confident | 81.5 | Confident | 167 Ų | 167 | 79 Ų | 79 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | trans | 61 | 2.6 | 176 | -55.6 | -172.4 | 165.3 | 0 | 0 | 116.1 | C131 A137 | C131-E135 WeakPolarHBondContact O-CA 3.49Å; C131-E135 PolarHBondContact O-N 3.33Å; E135-A137 PolarHBondContact O-N 3.44Å | ||
| 136 | K | 87.9 | Confident | 82.7 | Confident | 122 Ų | 122 | 77.1 Ų | 77.1 | 53% | 0.53 | 39% | 0.393 | S | S | . | . | trans | -60.9 | 129.9 | 176.5 | -71.2 | 180 | -172.1 | 179.6 | 0 | 110.6 | C131 C134 F138 | C131-K136 PolarHBondContact N-O 3.02Å; C134-K136 PolarHBondContact O-N 3.46Å; C134-K136 VanDerWaalsContact SG-CG 3.51Å; K136-F138 HydrophobicContact CB-CE2 3.82Å; K136-F138 HydrophobicContact CB-CZ 4Å; K136-F138 WeakPolarHBondContact O-CD2 3.19Å; K136-F138 VanDerWaalsContact O-CE2 3.26Å; K136-F138 WeakPolarHBondContact O-CE2 3.34Å | ||
| 137 | A | 86.1 | Confident | 83.7 | Confident | 33 Ų | 33 | 73.3 Ų | 73.3 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 137.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | K127 Y129 K130 E135 | K127-A137 HydrophobicContact CB-CB 3.57Å; K127-A137 HydrophobicContact CD-CB 3.83Å; K127-A137 WeakPolarHBondContact CD-O 3.44Å; K127-A137 HydrophobicContact CG-CB 4.32Å; Y129-A137 CarbonylContact O-C 3.55Å; Y129-A137 WeakPolarHBondContact O-CA 3.24Å; K130-A137 HydrophobicContact CG-CB 4.09Å; E135-A137 PolarHBondContact O-N 3.44Å |
| 138 | F | 86.3 | Confident | 84.2 | Confident | 41 Ų | 41 | 69.6 Ų | 69.6 | 18% | 0.18 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 146.9 | -175.2 | -62 | -88.4 | 0 | 0 | 0 | 110.1 | K127 K128 Y129 C131 K136 R140 L144 H147 | K127-F138 CarbonylContact C-O 3.34Å; K127-F138 WeakPolarHBondContact CA-O 3.27Å; K128-F138 PolarHBondContact N-O 3.07Å; Y129-F138 PolarHBondContact N-O 3.28Å; Y129-F138 VanDerWaalsContact N-O 3.13Å; Y129-F138 PolarHBondContact O-N 3.17Å; C131-F138 HydrophobicContact CB-CE2 4.3Å; K136-F138 HydrophobicContact CB-CE2 3.82Å; K136-F138 HydrophobicContact CB-CZ 4Å; K136-F138 WeakPolarHBondContact O-CD2 3.19Å; K136-F138 VanDerWaalsContact O-CE2 3.26Å; K136-F138 WeakPolarHBondContact O-CE2 3.34Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-L144 HydrophobicContact CB-CB 4.32Å; F138-L144 HydrophobicContact CD2-CB 3.94Å; F138-L144 HydrophobicContact CD2-CD1 3.76Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.89Å; F138-L144 HydrophobicContact CG-CB 4.22Å; F138-H147 HydrophobicContact CE1-CB 3.92Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.38Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.42Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.94Å; F138-H147 HydrophobicContact CZ-CB 3.47Å; F138-H147 VanDerWaalsContact CZ-CB 3.47Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.2Å; F138-H147 AromaticContact CZ-CG 3.21Å; F138-H147 AromaticContact CZ-ND1 3.68Å; F138-H147 AromaticContact CZ-NE2 3.84Å |
| 139 | S | 82.4 | Confident | 84.3 | Confident | 52 Ų | 52 | 62.9 Ų | 62.9 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -73 | -23.6 | 175.6 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 140 | R | 80.1 | Confident | 84.4 | Confident | 85 Ų | 85 | 62 Ų | 62 | 32% | 0.321 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -133.6 | 152 | -176 | -61.2 | -176.4 | 174.4 | 107.5 | 5.6 | 113.1 | F138 T143 L144 D181 R197 | F138-R140 VanDerWaalsContact C-N 3.31Å; R140-T143 PolarHBondContact N-OG1 3.2Å; R140-T143 PolarHBondContact O-N 2.97Å; R140-T143 PolarHBondContact O-OG1 3.24Å; R140-L144 PolarHBondContact O-N 3.14Å; R140-D181 VanDerWaalsContact CD-OD2 3.26Å; R140-D181 WeakPolarHBondContact CD-OD2 3.23Å; R140-D181 IonicContact NE-OD2 2.75Å; R140-D181 PolarHBondContact NE-OD2 3.36Å; R140-R197 VanDerWaalsContact NH1-CZ 3.29Å; R140-R197 VanDerWaalsContact NH1-NH1 3.1Å; R140-R197 VanDerWaalsContact NH2-NH2 3.14Å |
| 141 | S | 82.3 | Confident | 84.5 | Confident | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -42.2 | 176.6 | 56.7 | 0 | 0 | 0 | 0 | 112 | Y129 T143 L144 L145 | Y129-S141 VanDerWaalsContact CD2-N 3.33Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 2.87Å; S141-L144 WeakPolarHBondContact O-CB 3.38Å; S141-L144 PolarHBondContact O-N 3.16Å; S141-L145 PolarHBondContact O-N 3.25Å |
| 142 | N | 81.6 | Confident | 84.3 | Confident | 13 Ų | 13 | 59.8 Ų | 59.8 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.9 | -38.1 | -178.9 | -59.8 | -47.4 | 0 | 0 | 0 | 113 | L145 T146 P177 F178 K179 L193 | N142-L145 PolarHBondContact O-N 3.33Å; N142-T146 PolarHBondContact O-N 3.22Å; N142-T146 PolarHBondContact O-OG1 3.43Å; N142-P177 PolarHBondContact OD1-O 3.35Å; N142-F178 HydrophobicContact CB-CD1 4.02Å; N142-F178 VanDerWaalsContact OD1-CA 3.26Å; N142-F178 WeakPolarHBondContact OD1-CA 3.47Å; N142-K179 PolarHBondContact ND2-O 2.89Å; N142-K179 PolarHBondContact OD1-N 3Å; N142-K179 VanDerWaalsContact OD1-N 3.07Å; N142-L193 HydrophobicContact CB-CD2 3.93Å; N142-L193 WeakPolarHBondContact ND2-CD2 3.36Å |
| 143 | T | 84.9 | Confident | 84.2 | Confident | 53 Ų | 53 | 55 Ų | 55 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 176.7 | 42.6 | 0 | 0 | 0 | 0 | 111.6 | R140 S141 L145 T146 H147 | R140-T143 PolarHBondContact N-OG1 3.2Å; R140-T143 PolarHBondContact O-N 2.97Å; R140-T143 PolarHBondContact O-OG1 3.24Å; S141-T143 VanDerWaalsContact C-N 3.32Å; S141-T143 PolarHBondContact O-N 2.87Å; T143-L145 VanDerWaalsContact C-N 3.34Å; T143-T146 WeakPolarHBondContact CA-OG1 3.18Å; T143-T146 PolarHBondContact O-OG1 3.48Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.48Å; T143-H147 PolarHBondContact O-N 3.3Å |
| 144 | L | 86.7 | Confident | 83.9 | Confident | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.11 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63 | -43.3 | 170.8 | 172.7 | 62.3 | 0 | 0 | 0 | 110.4 | K130 C131 F138 R140 S141 H147 K148 | K130-L144 WeakPolarHBondContact O-CD2 3.44Å; C131-L144 HydrophobicContact CB-CD1 3.71Å; F138-L144 HydrophobicContact CB-CB 4.32Å; F138-L144 HydrophobicContact CD2-CB 3.94Å; F138-L144 HydrophobicContact CD2-CD1 3.76Å; F138-L144 HydrophobicContact CD2-CG 4.45Å; F138-L144 HydrophobicContact CE2-CD1 3.89Å; F138-L144 HydrophobicContact CG-CB 4.22Å; R140-L144 PolarHBondContact O-N 3.14Å; S141-L144 WeakPolarHBondContact O-CB 3.38Å; S141-L144 PolarHBondContact O-N 3.16Å; L144-H147 CarbonylContact O-C 3.59Å; L144-H147 WeakPolarHBondContact O-CB 3.45Å; L144-H147 PolarHBondContact O-N 3.35Å; L144-H147 VanDerWaalsContact O-N 3.14Å; L144-K148 HydrophobicContact CD1-CG 4Å; L144-K148 HydrophobicContact CG-CG 4.36Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.81Å |
| 145 | L | 84 | Confident | 83.4 | Confident | 49 Ų | 49 | 62.3 Ų | 62.3 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 179.7 | -173.4 | 70.2 | 0 | 0 | 0 | 112.5 | S141 N142 T143 H147 K148 F149 P177 F178 | S141-L145 PolarHBondContact O-N 3.25Å; N142-L145 PolarHBondContact O-N 3.33Å; T143-L145 VanDerWaalsContact C-N 3.34Å; L145-H147 PolarHBondContact O-N 2.73Å; L145-K148 PolarHBondContact O-N 3.38Å; L145-F149 PolarHBondContact O-N 2.81Å; L145-P177 HydrophobicContact CD2-CB 3.47Å; L145-P177 VanDerWaalsContact CD2-CB 3.47Å; L145-P177 HydrophobicContact CD2-CG 4.18Å; L145-F178 HydrophobicContact CB-CE1 4.47Å; L145-F178 HydrophobicContact CD2-CD1 4.31Å; L145-F178 HydrophobicContact CD2-CE1 3.88Å; L145-F178 HydrophobicContact CD2-CZ 4.31Å; L145-F178 HydrophobicContact CG-CE1 4.41Å |
| 146 | T | 84.7 | Confident | 83.3 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.5 | -38 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 111.6 | N142 T143 F149 S150 F178 P190 | N142-T146 PolarHBondContact O-N 3.22Å; N142-T146 PolarHBondContact O-OG1 3.43Å; T143-T146 WeakPolarHBondContact CA-OG1 3.18Å; T143-T146 PolarHBondContact O-OG1 3.48Å; T146-F149 PolarHBondContact O-N 3.05Å; T146-S150 PolarHBondContact O-N 3.46Å; T146-S150 PolarHBondContact O-OG 2.82Å; T146-F178 HydrophobicContact CG2-CE1 3.54Å; T146-F178 HydrophobicContact CG2-CZ 3.93Å; T146-P190 HydrophobicContact CG2-CB 3.56Å; T146-P190 HydrophobicContact CG2-CG 3.83Å |
| 147 | H | 85.9 | Confident | 83.1 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 13% | 0.134 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.4 | -45.8 | 178.8 | 170.3 | 70.7 | 0 | 0 | 0 | 112.3 | C134 F138 T143 L144 L145 F149 S150 L151 | C134-H147 VanDerWaalsContact SG-CE1 3.55Å; C134-H147 PolarHBondContact SG-NE2 3.09Å; F138-H147 HydrophobicContact CE1-CB 3.92Å; F138-H147 HydrophobicContact CE2-CB 4.04Å; F138-H147 AromaticContact CE2-CD2 3.38Å; F138-H147 WeakPolarHBondContact CE2-CD2 3.42Å; F138-H147 AromaticContact CE2-CG 3.72Å; F138-H147 AromaticContact CE2-NE2 3.94Å; F138-H147 HydrophobicContact CZ-CB 3.47Å; F138-H147 VanDerWaalsContact CZ-CB 3.47Å; F138-H147 AromaticContact CZ-CD2 3.36Å; F138-H147 WeakPolarHBondContact CZ-CD2 3.2Å; F138-H147 AromaticContact CZ-CG 3.21Å; F138-H147 AromaticContact CZ-ND1 3.68Å; F138-H147 AromaticContact CZ-NE2 3.84Å; T143-H147 VanDerWaalsContact O-CB 3.26Å; T143-H147 WeakPolarHBondContact O-CB 3.48Å; T143-H147 PolarHBondContact O-N 3.3Å; L144-H147 CarbonylContact O-C 3.59Å; L144-H147 WeakPolarHBondContact O-CB 3.45Å; L144-H147 PolarHBondContact O-N 3.35Å; L144-H147 VanDerWaalsContact O-N 3.14Å; L145-H147 PolarHBondContact O-N 2.73Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.09Å; H147-S150 PolarHBondContact O-N 3.15Å; H147-L151 WeakPolarHBondContact NE2-CD1 3.24Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.26Å |
| 148 | K | 86.1 | Confident | 83 | Confident | 57 Ų | 57 | 64.2 Ų | 64.2 | 25% | 0.248 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 174.2 | -70.3 | -164.9 | 179.7 | -153 | 0 | 111.2 | F31 D132 L144 L145 L151 A152 | F31-K148 HydrophobicContact CE1-CB 3.95Å; D132-K148 WeakPolarHBondContact OD1-CE 3.35Å; D132-K148 IonicContact OD1-NZ 3.37Å; D132-K148 PolarHBondContact OD1-NZ 3.4Å; D132-K148 IonicContact OD2-NZ 2.93Å; D132-K148 PolarHBondContact OD2-NZ 3.34Å; L144-K148 HydrophobicContact CD1-CG 4Å; L144-K148 HydrophobicContact CG-CG 4.36Å; L144-K148 WeakPolarHBondContact O-CG 3.49Å; L144-K148 PolarHBondContact O-N 2.81Å; L145-K148 PolarHBondContact O-N 3.38Å; K148-L151 PolarHBondContact O-N 2.73Å; K148-A152 WeakPolarHBondContact O-CB 3.28Å; K148-A152 PolarHBondContact O-N 3.47Å |
| 149 | F | 83 | Confident | 82.8 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 6% | 0.061 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.4 | -168.5 | -84.6 | 0 | 0 | 0 | 111.6 | F31 L145 T146 H147 L151 A152 F153 F159 I162 Y163 F166 | F31-F149 HydrophobicContact CZ-CD2 4.43Å; L145-F149 PolarHBondContact O-N 2.81Å; T146-F149 PolarHBondContact O-N 3.05Å; H147-F149 VanDerWaalsContact C-N 3.29Å; H147-F149 PolarHBondContact O-N 3.09Å; F149-L151 PolarHBondContact O-N 3.26Å; F149-A152 PolarHBondContact O-N 3.04Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 HydrophobicContact CD2-CD2 4.27Å; F149-F153 HydrophobicContact CD2-CE2 4.07Å; F149-F153 AromaticContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CE2 4.4Å; F149-F153 AromaticContact CE2-CD2 3.97Å; F149-F153 HydrophobicContact CE2-CD2 3.97Å; F149-F153 AromaticContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CG-CD2 4.38Å; F149-F153 AromaticContact CZ-CD2 3.76Å; F149-F153 HydrophobicContact CZ-CD2 3.76Å; F149-F153 AromaticContact CZ-CE2 3.87Å; F149-F153 HydrophobicContact CZ-CE2 3.87Å; F149-F153 VanDerWaalsContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CD2 3.29Å; F149-F153 PolarHBondContact O-N 2.72Å; F149-F159 HydrophobicContact CD1-CE2 4.19Å; F149-F159 HydrophobicContact CD1-CZ 4.47Å; F149-F159 HydrophobicContact CE1-CE2 4.12Å; F149-F159 HydrophobicContact CE1-CZ 4.49Å; F149-I162 HydrophobicContact CZ-CG2 4.27Å; F149-Y163 AromaticContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CE2 4.49Å; F149-Y163 AromaticContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CD2 3.45Å; F149-Y163 VanDerWaalsContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CE2 4.45Å; F149-Y163 HydrophobicContact CE1-CG 4.14Å; F149-Y163 HydrophobicContact CZ-CD2 4.13Å; F149-F166 AromaticContact CD2-CD1 3.91Å; F149-F166 HydrophobicContact CD2-CD1 3.91Å; F149-F166 AromaticContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CZ 4.35Å; F149-F166 HydrophobicContact CE2-CB 4.14Å; F149-F166 AromaticContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD2 4.37Å; F149-F166 AromaticContact CE2-CE1 3.48Å; F149-F166 HydrophobicContact CE2-CE1 3.48Å; F149-F166 VanDerWaalsContact CE2-CE1 3.48Å; F149-F166 AromaticContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CZ 4.19Å; F149-F166 HydrophobicContact CZ-CB 4.2Å; F149-F166 AromaticContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CG 4.28Å |
| 150 | S | 84.5 | Confident | 82.8 | Confident | 52 Ų | 52 | 66.4 Ų | 66.4 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.6 | -69 | 0 | 0 | 0 | 0 | 112.1 | T146 H147 A152 F153 K154 | T146-S150 PolarHBondContact O-N 3.46Å; T146-S150 PolarHBondContact O-OG 2.82Å; H147-S150 PolarHBondContact O-N 3.15Å; S150-A152 VanDerWaalsContact C-N 3.35Å; S150-A152 PolarHBondContact O-N 3.15Å; S150-F153 PolarHBondContact O-N 2.86Å; S150-K154 VanDerWaalsContact O-CA 3.32Å; S150-K154 WeakPolarHBondContact O-CA 3.4Å; S150-K154 WeakPolarHBondContact O-CB 3.32Å; S150-K154 PolarHBondContact O-N 3.39Å |
| 151 | L | 84.7 | Confident | 83 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 30% | 0.304 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 178.3 | -76.4 | 179.8 | 0 | 0 | 0 | 112.6 | C131 V133 C134 H147 K148 F149 F153 | C131-L151 VanDerWaalsContact SG-CD1 3.59Å; V133-L151 HydrophobicContact CB-CD1 4.14Å; V133-L151 HydrophobicContact CG1-CD1 4.39Å; C134-L151 HydrophobicContact CB-CD1 4.45Å; H147-L151 WeakPolarHBondContact NE2-CD1 3.24Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.26Å; K148-L151 PolarHBondContact O-N 2.73Å; F149-L151 PolarHBondContact O-N 3.26Å; L151-F153 PolarHBondContact O-N 3.03Å |
| 152 | A | 82 | Confident | 82.9 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 44% | 0.438 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.3 | -23.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F31 K148 F149 S150 | F31-A152 HydrophobicContact CE2-CB 3.87Å; F31-A152 HydrophobicContact CZ-CB 3.52Å; K148-A152 WeakPolarHBondContact O-CB 3.28Å; K148-A152 PolarHBondContact O-N 3.47Å; F149-A152 PolarHBondContact O-N 3.04Å; S150-A152 VanDerWaalsContact C-N 3.35Å; S150-A152 PolarHBondContact O-N 3.15Å |
| 153 | F | 80.5 | Confident | 82.8 | Confident | 15 Ų | 15 | 67.1 Ų | 67.1 | 7% | 0.066 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -131 | 5.6 | -171.3 | -57.9 | -67.9 | 0 | 0 | 0 | 114.1 | L27 F31 F149 S150 L151 D155 S156 F159 I162 | L27-F153 HydrophobicContact CB-CZ 4.44Å; L27-F153 HydrophobicContact CD1-CE1 4.33Å; L27-F153 HydrophobicContact CD1-CZ 4.48Å; L27-F153 HydrophobicContact CD2-CE1 4.02Å; L27-F153 HydrophobicContact CD2-CZ 4.27Å; F31-F153 AromaticContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CE2 3.84Å; F31-F153 HydrophobicContact CE2-CZ 4.23Å; F31-F153 HydrophobicContact CZ-CE2 4.27Å; F149-F153 HydrophobicContact CD1-CD2 4.19Å; F149-F153 HydrophobicContact CD2-CD2 4.27Å; F149-F153 HydrophobicContact CD2-CE2 4.07Å; F149-F153 AromaticContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CD2 3.85Å; F149-F153 HydrophobicContact CE1-CE2 4.4Å; F149-F153 AromaticContact CE2-CD2 3.97Å; F149-F153 HydrophobicContact CE2-CD2 3.97Å; F149-F153 AromaticContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CE2-CE2 3.68Å; F149-F153 HydrophobicContact CG-CD2 4.38Å; F149-F153 AromaticContact CZ-CD2 3.76Å; F149-F153 HydrophobicContact CZ-CD2 3.76Å; F149-F153 AromaticContact CZ-CE2 3.87Å; F149-F153 HydrophobicContact CZ-CE2 3.87Å; F149-F153 VanDerWaalsContact O-CD2 3.31Å; F149-F153 WeakPolarHBondContact O-CD2 3.29Å; F149-F153 PolarHBondContact O-N 2.72Å; S150-F153 PolarHBondContact O-N 2.86Å; L151-F153 PolarHBondContact O-N 3.03Å; F153-D155 PolarHBondContact O-N 3.34Å; F153-S156 VanDerWaalsContact O-CB 3.3Å; F153-S156 WeakPolarHBondContact O-CB 3.38Å; F153-S156 PolarHBondContact O-N 3.13Å; F153-F159 HydrophobicContact CB-CD2 3.58Å; F153-F159 HydrophobicContact CB-CE2 4.05Å; F153-F159 WeakPolarHBondContact O-CD2 3.23Å; F153-I162 HydrophobicContact CD1-CD1 3.83Å; F153-I162 HydrophobicContact CD1-CG2 3.87Å; F153-I162 HydrophobicContact CD2-CG2 4.14Å; F153-I162 HydrophobicContact CE1-CD1 4.33Å; F153-I162 HydrophobicContact CE1-CG2 3.84Å; F153-I162 HydrophobicContact CE2-CG2 4.13Å; F153-I162 HydrophobicContact CG-CD1 4.49Å; F153-I162 HydrophobicContact CG-CG2 4.02Å; F153-I162 HydrophobicContact CZ-CG2 3.98Å |
| 154 | K | 77.4 | Confident | 82.8 | Confident | 157 Ų | 157 | 69.3 Ų | 69.3 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -38.8 | -173.5 | -165.6 | -178.8 | 172.8 | -164.3 | 0 | 112.3 | S150 S156 | S150-K154 VanDerWaalsContact O-CA 3.32Å; S150-K154 WeakPolarHBondContact O-CA 3.4Å; S150-K154 WeakPolarHBondContact O-CB 3.32Å; S150-K154 PolarHBondContact O-N 3.39Å; K154-S156 VanDerWaalsContact C-N 3.29Å |
| 155 | D | 77 | Confident | 82.6 | Confident | 153 Ų | 153 | 70 Ų | 70 | 82% | 0.818 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.2 | -175.4 | -52 | -37.3 | 0 | 0 | 0 | 112.2 | F153 R157 | F153-D155 PolarHBondContact O-N 3.34Å; D155-R157 PolarHBondContact O-N 2.87Å |
| 156 | S | 80.8 | Confident | 82.3 | Confident | 45 Ų | 45 | 68.6 Ų | 68.6 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | trans | -79 | 120.2 | 176.8 | -65.3 | 0 | 0 | 0 | 0 | 110.2 | F153 K154 H158 F159 | F153-S156 VanDerWaalsContact O-CB 3.3Å; F153-S156 WeakPolarHBondContact O-CB 3.38Å; F153-S156 PolarHBondContact O-N 3.13Å; K154-S156 VanDerWaalsContact C-N 3.29Å; S156-H158 PolarHBondContact O-N 3.31Å; S156-F159 WeakPolarHBondContact O-CB 3.49Å; S156-F159 PolarHBondContact O-N 3.25Å | ||
| 157 | R | 85 | Confident | 82 | Confident | 226 Ų | 226 | 66.9 Ų | 66.9 | 85% | 0.853 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -22.3 | 165.1 | 58.2 | 177.5 | -93.2 | 168.1 | -3.6 | 113.5 | D155 | D155-R157 PolarHBondContact O-N 2.87Š|
| 158 | H | 84.1 | Confident | 81.9 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 14.9 | 177.7 | -55.5 | 128.9 | 0 | 0 | 0 | 113.7 | S156 A160 C161 I162 | S156-H158 PolarHBondContact O-N 3.31Å; H158-A160 VanDerWaalsContact C-N 3.25Å; H158-A160 PolarHBondContact O-N 2.79Å; H158-A160 VanDerWaalsContact O-N 3.15Å; H158-C161 HydrophobicContact CB-CB 4.46Å; H158-C161 PolarHBondContact O-N 2.86Å; H158-I162 HydrophobicContact CB-CD1 4.1Å; H158-I162 HydrophobicContact CB-CG1 4.18Å; H158-I162 VanDerWaalsContact O-CG1 3.31Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.8Å |
| 159 | F | 81.5 | Confident | 81.6 | Confident | 68 Ų | 68 | 68.6 Ų | 68.6 | 30% | 0.298 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -47.4 | -47.3 | -178.4 | 178.1 | -100.4 | 0 | 0 | 0 | 112.8 | F149 F153 S156 I162 Y163 | F149-F159 HydrophobicContact CD1-CE2 4.19Å; F149-F159 HydrophobicContact CD1-CZ 4.47Å; F149-F159 HydrophobicContact CE1-CE2 4.12Å; F149-F159 HydrophobicContact CE1-CZ 4.49Å; F153-F159 HydrophobicContact CB-CD2 3.58Å; F153-F159 HydrophobicContact CB-CE2 4.05Å; F153-F159 WeakPolarHBondContact O-CD2 3.23Å; S156-F159 WeakPolarHBondContact O-CB 3.49Å; S156-F159 PolarHBondContact O-N 3.25Å; F159-I162 PolarHBondContact O-N 3.38Å; F159-Y163 VanDerWaalsContact O-CB 3.27Å; F159-Y163 WeakPolarHBondContact O-CB 3.23Å; F159-Y163 PolarHBondContact O-N 3.23Å |
| 160 | A | 82.3 | Confident | 81.6 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 60% | 0.595 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H158 L164 | H158-A160 VanDerWaalsContact C-N 3.25Å; H158-A160 PolarHBondContact O-N 2.79Å; H158-A160 VanDerWaalsContact O-N 3.15Å; A160-L164 WeakPolarHBondContact O-CB 3.46Å; A160-L164 PolarHBondContact O-N 3.01Å |
| 161 | C | 83.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 70.2 Ų | 70.2 | 45% | 0.453 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 177.3 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | H158 Y163 L164 C165 | H158-C161 HydrophobicContact CB-CB 4.46Å; H158-C161 PolarHBondContact O-N 2.86Å; C161-Y163 PolarHBondContact O-N 3.27Å; C161-L164 PolarHBondContact O-N 3.13Å; C161-C165 WeakPolarHBondContact O-CB 3.35Å; C161-C165 PolarHBondContact O-N 3.28Å; C161-C165 PolarHBondContact O-SG 3.18Å |
| 162 | I | 79.9 | Confident | 80.9 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 8% | 0.077 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.4 | -46.6 | 178.6 | -64 | 169 | 0 | 0 | 0 | 110.2 | F22 F149 F153 H158 F159 L164 C165 F166 | F22-I162 HydrophobicContact CD1-CG1 4.48Å; F22-I162 HydrophobicContact CE1-CD1 3.74Å; F22-I162 HydrophobicContact CE1-CG1 3.73Å; F22-I162 HydrophobicContact CE1-CG2 4.5Å; F22-I162 HydrophobicContact CZ-CD1 3.81Å; F22-I162 HydrophobicContact CZ-CG1 4.29Å; F149-I162 HydrophobicContact CZ-CG2 4.27Å; F153-I162 HydrophobicContact CD1-CD1 3.83Å; F153-I162 HydrophobicContact CD1-CG2 3.87Å; F153-I162 HydrophobicContact CD2-CG2 4.14Å; F153-I162 HydrophobicContact CE1-CD1 4.33Å; F153-I162 HydrophobicContact CE1-CG2 3.84Å; F153-I162 HydrophobicContact CE2-CG2 4.13Å; F153-I162 HydrophobicContact CG-CD1 4.49Å; F153-I162 HydrophobicContact CG-CG2 4.02Å; F153-I162 HydrophobicContact CZ-CG2 3.98Å; H158-I162 HydrophobicContact CB-CD1 4.1Å; H158-I162 HydrophobicContact CB-CG1 4.18Å; H158-I162 VanDerWaalsContact O-CG1 3.31Å; H158-I162 WeakPolarHBondContact O-CG1 3.43Å; H158-I162 PolarHBondContact O-N 2.8Å; F159-I162 PolarHBondContact O-N 3.38Å; I162-L164 VanDerWaalsContact C-N 3.32Å; I162-L164 PolarHBondContact O-N 3.42Å; I162-C165 PolarHBondContact O-N 3.48Å; I162-F166 VanDerWaalsContact O-CB 3.27Å; I162-F166 WeakPolarHBondContact O-CB 3.37Å; I162-F166 PolarHBondContact O-N 3.29Å |
| 163 | Y | 80.9 | Confident | 80.9 | Confident | 72 Ų | 72 | 76.5 Ų | 76.5 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 176.4 | -178 | -89.4 | 0 | 0 | 0 | 112.2 | F149 F159 C161 S167 P190 | F149-Y163 AromaticContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CD2 3.84Å; F149-Y163 HydrophobicContact CD1-CE2 4.49Å; F149-Y163 AromaticContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CD2 3.45Å; F149-Y163 VanDerWaalsContact CE1-CD2 3.45Å; F149-Y163 HydrophobicContact CE1-CE2 4.45Å; F149-Y163 HydrophobicContact CE1-CG 4.14Å; F149-Y163 HydrophobicContact CZ-CD2 4.13Å; F159-Y163 VanDerWaalsContact O-CB 3.27Å; F159-Y163 WeakPolarHBondContact O-CB 3.23Å; F159-Y163 PolarHBondContact O-N 3.23Å; C161-Y163 PolarHBondContact O-N 3.27Å; Y163-S167 VanDerWaalsContact O-CB 3.28Å; Y163-S167 WeakPolarHBondContact O-CB 3.21Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 PolarHBondContact O-OG 2.91Å; Y163-P190 WeakPolarHBondContact OH-CD 3.37Å; Y163-P190 WeakPolarHBondContact OH-CG 3.43Å |
| 164 | L | 83.9 | Confident | 81 | Confident | 99 Ų | 99 | 77.5 Ų | 77.5 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 177.9 | -177.9 | 61 | 0 | 0 | 0 | 111.6 | A160 C161 I162 F166 S167 L168 | A160-L164 WeakPolarHBondContact O-CB 3.46Å; A160-L164 PolarHBondContact O-N 3.01Å; C161-L164 PolarHBondContact O-N 3.13Å; I162-L164 VanDerWaalsContact C-N 3.32Å; I162-L164 PolarHBondContact O-N 3.42Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 3.01Å; L164-S167 WeakPolarHBondContact O-CB 3.27Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.16Å; L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 4.08Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.23Å |
| 165 | C | 81.9 | Confident | 81.1 | Confident | 34 Ų | 34 | 74 Ų | 74 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.8 | -48.8 | 176.5 | -73.6 | 0 | 0 | 0 | 0 | 111.2 | I24 C161 I162 S167 L168 Q169 | I24-C165 HydrophobicContact CD1-CB 4.04Å; C161-C165 WeakPolarHBondContact O-CB 3.35Å; C161-C165 PolarHBondContact O-N 3.28Å; C161-C165 PolarHBondContact O-SG 3.18Å; I162-C165 PolarHBondContact O-N 3.48Å; C165-S167 VanDerWaalsContact C-N 3.34Å; C165-S167 PolarHBondContact O-N 3.44Å; C165-L168 PolarHBondContact O-N 3.43Å; C165-Q169 PolarHBondContact O-N 3.15Å |
| 166 | F | 78.2 | Confident | 81.6 | Confident | 20 Ų | 20 | 72.1 Ų | 72.1 | 9% | 0.088 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 176.9 | -174 | -116.5 | 0 | 0 | 0 | 112.4 | L28 F149 I162 L164 L168 Q169 R170 | L28-F166 HydrophobicContact CD2-CD2 4.45Å; L28-F166 HydrophobicContact CD2-CE2 3.58Å; L28-F166 HydrophobicContact CD2-CZ 4.43Å; L28-F166 HydrophobicContact CG-CE2 4.32Å; F149-F166 AromaticContact CD2-CD1 3.91Å; F149-F166 HydrophobicContact CD2-CD1 3.91Å; F149-F166 AromaticContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CE1 3.65Å; F149-F166 HydrophobicContact CD2-CZ 4.35Å; F149-F166 HydrophobicContact CE2-CB 4.14Å; F149-F166 AromaticContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD1 3.28Å; F149-F166 HydrophobicContact CE2-CD2 4.37Å; F149-F166 AromaticContact CE2-CE1 3.48Å; F149-F166 HydrophobicContact CE2-CE1 3.48Å; F149-F166 VanDerWaalsContact CE2-CE1 3.48Å; F149-F166 AromaticContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CG 3.73Å; F149-F166 HydrophobicContact CE2-CZ 4.19Å; F149-F166 HydrophobicContact CZ-CB 4.2Å; F149-F166 AromaticContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CD1 3.96Å; F149-F166 HydrophobicContact CZ-CG 4.28Å; I162-F166 VanDerWaalsContact O-CB 3.27Å; I162-F166 WeakPolarHBondContact O-CB 3.37Å; I162-F166 PolarHBondContact O-N 3.29Å; L164-F166 VanDerWaalsContact C-N 3.34Å; L164-F166 PolarHBondContact O-N 3.01Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-L168 PolarHBondContact O-N 2.95Å; F166-Q169 PolarHBondContact O-N 2.92Å; F166-R170 WeakPolarHBondContact O-CG 3.31Å; F166-R170 PolarHBondContact O-N 3.46Å |
| 167 | S | 79.6 | Confident | 81.6 | Confident | 7 Ų | 7 | 71.9 Ų | 71.9 | 5% | 0.049 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.9 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | Y163 L164 C165 | Y163-S167 VanDerWaalsContact O-CB 3.28Å; Y163-S167 WeakPolarHBondContact O-CB 3.21Å; Y163-S167 PolarHBondContact O-N 3.08Å; Y163-S167 PolarHBondContact O-OG 2.91Å; L164-S167 WeakPolarHBondContact O-CB 3.27Å; L164-S167 PolarHBondContact O-N 2.87Å; L164-S167 VanDerWaalsContact O-N 3.16Å; C165-S167 VanDerWaalsContact C-N 3.34Å; C165-S167 PolarHBondContact O-N 3.44Å |
| 168 | L | 82.3 | Confident | 81.7 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -73.5 | -41.3 | 177.1 | -72.3 | 172.8 | 0 | 0 | 0 | 111.6 | L164 C165 F166 R170 I171 | L164-L168 HydrophobicContact CD1-CD1 4.31Å; L164-L168 HydrophobicContact CD1-CG 4.3Å; L164-L168 HydrophobicContact CG-CD1 4.08Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.46Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.23Å; C165-L168 PolarHBondContact O-N 3.43Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-L168 PolarHBondContact O-N 2.95Å; L168-R170 PolarHBondContact O-N 3.42Å; L168-I171 HydrophobicContact CD2-CD1 3.9Å; L168-I171 WeakPolarHBondContact O-CA 3.49Å; L168-I171 WeakPolarHBondContact O-CB 3.47Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.16Å |
| 169 | Q | 79.6 | Confident | 81.7 | Confident | 35 Ų | 35 | 63 Ų | 63 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.1 | -37.3 | 177 | -171.7 | 178.2 | 2.3 | 0 | 0 | 111.7 | D25 L28 C165 F166 I171 H172 T173 | D25-Q169 PolarHBondContact OD1-NE2 3.4Å; L28-Q169 VanDerWaalsContact CD1-NE2 3.35Å; C165-Q169 PolarHBondContact O-N 3.15Å; F166-Q169 PolarHBondContact O-N 2.92Å; Q169-I171 PolarHBondContact O-N 2.77Å; Q169-I171 VanDerWaalsContact O-N 3.08Å; Q169-H172 WeakPolarHBondContact O-CA 3.45Å; Q169-H172 WeakPolarHBondContact O-CB 3.48Å; Q169-H172 PolarHBondContact O-N 3.36Å; Q169-T173 HydrophobicContact CG-CG2 4.16Å; Q169-T173 PolarHBondContact O-N 3.46Å; Q169-T173 PolarHBondContact O-OG1 3.09Å |
| 170 | R | 83.2 | Confident | 82 | Confident | 14 Ų | 14 | 60 Ų | 60 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.9 | -18 | 172.4 | -70.6 | 174 | 170.3 | 178.9 | -2.7 | 114.5 | F166 L168 T173 G174 E175 R188 | F166-R170 WeakPolarHBondContact O-CG 3.31Å; F166-R170 PolarHBondContact O-N 3.46Å; L168-R170 PolarHBondContact O-N 3.42Å; R170-T173 WeakPolarHBondContact CA-OG1 3.33Å; R170-G174 WeakPolarHBondContact O-CA 3.17Å; R170-G174 PolarHBondContact O-N 3.12Å; R170-E175 HydrophobicContact CG-CB 4.15Å; R170-R188 HydrophobicContact CB-CB 4.45Å; R170-R188 HydrophobicContact CB-CG 4.37Å; R170-R188 PolarHBondContact NH1-O 2.77Å; R170-R188 PolarHBondContact O-NE 3.09Å |
| 171 | I | 80.3 | Confident | 82.1 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 44% | 0.441 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 171.6 | -57.1 | 177.3 | 0 | 0 | 0 | 110 | L168 Q169 R188 | L168-I171 HydrophobicContact CD2-CD1 3.9Å; L168-I171 WeakPolarHBondContact O-CA 3.49Å; L168-I171 WeakPolarHBondContact O-CB 3.47Å; L168-I171 WeakPolarHBondContact O-CG1 3.48Å; L168-I171 PolarHBondContact O-N 3.16Å; Q169-I171 PolarHBondContact O-N 2.77Å; Q169-I171 VanDerWaalsContact O-N 3.08Å; I171-R188 PolarHBondContact O-NH2 3.4Å |
| 172 | H | 75.6 | Confident | 82.1 | Confident | 170 Ų | 170 | 61.8 Ų | 61.8 | 79% | 0.787 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.7 | -45.5 | 179.4 | -66.7 | -73.7 | 0 | 0 | 0 | 112.6 | Q169 G174 | Q169-H172 WeakPolarHBondContact O-CA 3.45Å; Q169-H172 WeakPolarHBondContact O-CB 3.48Å; Q169-H172 PolarHBondContact O-N 3.36Å; H172-G174 VanDerWaalsContact C-N 3.29Å; H172-G174 PolarHBondContact O-N 3.13Å |
| 173 | T | 81.1 | Confident | 82.5 | Confident | 73 Ų | 73 | 64.1 Ų | 64.1 | 45% | 0.448 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -77 | -17.4 | -179.1 | 62 | 0 | 0 | 0 | 0 | 113.1 | Q169 R170 E175 | Q169-T173 HydrophobicContact CG-CG2 4.16Å; Q169-T173 PolarHBondContact O-N 3.46Å; Q169-T173 PolarHBondContact O-OG1 3.09Å; R170-T173 WeakPolarHBondContact CA-OG1 3.33Å; T173-E175 PolarHBondContact O-N 3.26Å; T173-E175 WeakPolarHBondContact OG1-CG 3.47Å; T173-E175 PolarHBondContact OG1-N 3.44Å |
| 174 | G | 82.4 | Confident | 82.8 | Confident | 36 Ų | 36 | 63.2 Ų | 63.2 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | trans | 75.1 | 2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R170 H172 K176 | R170-G174 WeakPolarHBondContact O-CA 3.17Å; R170-G174 PolarHBondContact O-N 3.12Å; H172-G174 VanDerWaalsContact C-N 3.29Å; H172-G174 PolarHBondContact O-N 3.13Å; G174-K176 PolarHBondContact O-N 3.46Å | ||
| 175 | E | 80.5 | Confident | 83 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 39% | 0.388 | 36% | 0.356 | S | S | . | . | trans | -59 | 131.3 | -179.1 | -75.4 | -177.4 | 178.5 | 0 | 0 | 112.9 | R170 T173 R188 | R170-E175 HydrophobicContact CG-CB 4.15Å; T173-E175 PolarHBondContact O-N 3.26Å; T173-E175 WeakPolarHBondContact OG1-CG 3.47Å; T173-E175 PolarHBondContact OG1-N 3.44Å; E175-R188 WeakPolarHBondContact O-CG 3.49Å | ||
| 176 | K | 86.2 | Confident | 83.3 | Confident | 113 Ų | 113 | 65.8 Ų | 65.8 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | trans | -130.1 | 76.4 | 178.8 | -67.5 | 167.1 | -174.8 | 173 | 0 | 110.4 | G174 F178 A186 F187 R188 | G174-K176 PolarHBondContact O-N 3.46Å; K176-F178 VanDerWaalsContact C-N 3.28Å; K176-F178 PolarHBondContact O-N 3.37Å; K176-A186 HydrophobicContact CB-CB 3.46Å; K176-A186 VanDerWaalsContact CB-CB 3.46Å; K176-A186 HydrophobicContact CD-CB 4.11Å; K176-A186 HydrophobicContact CG-CB 4.4Å; K176-A186 WeakPolarHBondContact O-CB 3.44Å; K176-F187 CarbonylContact C-O 3.47Å; K176-F187 WeakPolarHBondContact CA-O 3.32Å; K176-R188 HydrophobicContact CG-CG 4.13Å | ||
| 177 | P | 82.4 | Confident | 83.7 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 26% | 0.26 | 36% | 0.359 | S | S | . | . | trans | -74.1 | -18.7 | -173.4 | 14.3 | -14.7 | 0 | 0 | 0 | 113.8 | N142 L145 K179 | N142-P177 PolarHBondContact OD1-O 3.35Å; L145-P177 HydrophobicContact CD2-CB 3.47Å; L145-P177 VanDerWaalsContact CD2-CB 3.47Å; L145-P177 HydrophobicContact CD2-CG 4.18Å; P177-K179 PolarHBondContact O-N 3.22Å | ||
| 178 | F | 85.2 | Confident | 84 | Confident | 7 Ų | 7 | 70.2 Ų | 70.2 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 94.8 | -178.2 | -57.2 | -69.1 | 0 | 0 | 0 | 111.3 | N142 L145 T146 K176 A186 F187 R188 P190 L193 | N142-F178 HydrophobicContact CB-CD1 4.02Å; N142-F178 VanDerWaalsContact OD1-CA 3.26Å; N142-F178 WeakPolarHBondContact OD1-CA 3.47Å; L145-F178 HydrophobicContact CB-CE1 4.47Å; L145-F178 HydrophobicContact CD2-CD1 4.31Å; L145-F178 HydrophobicContact CD2-CE1 3.88Å; L145-F178 HydrophobicContact CD2-CZ 4.31Å; L145-F178 HydrophobicContact CG-CE1 4.41Å; T146-F178 HydrophobicContact CG2-CE1 3.54Å; T146-F178 HydrophobicContact CG2-CZ 3.93Å; K176-F178 VanDerWaalsContact C-N 3.28Å; K176-F178 PolarHBondContact O-N 3.37Å; F178-A186 CarbonylContact O-C 3.57Å; F178-A186 WeakPolarHBondContact O-CA 3.36Å; F178-F187 HydrophobicContact CB-CB 4.31Å; F178-F187 WeakPolarHBondContact CB-O 3.36Å; F178-F187 WeakPolarHBondContact CD2-O 3.43Å; F178-F187 PolarHBondContact N-O 2.92Å; F178-F187 VanDerWaalsContact N-O 3.1Å; F178-F187 PolarHBondContact O-N 3.45Å; F178-R188 WeakPolarHBondContact CE2-O 3.38Å; F178-P190 HydrophobicContact CD1-CB 4.24Å; F178-P190 HydrophobicContact CE1-CB 3.99Å; F178-P190 HydrophobicContact CE2-CB 4.29Å; F178-P190 HydrophobicContact CE2-CG 4.29Å; F178-P190 HydrophobicContact CZ-CB 4Å; F178-P190 HydrophobicContact CZ-CG 4.07Å; F178-L193 HydrophobicContact CB-CB 4.17Å; F178-L193 HydrophobicContact CB-CD2 3.99Å |
| 179 | K | 85.8 | Confident | 84.1 | Confident | 125 Ų | 125 | 69.3 Ų | 69.3 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.9 | -176.1 | -67.3 | -179.2 | -178.9 | 179.9 | 0 | 112.1 | N142 P177 D181 R185 A186 | N142-K179 PolarHBondContact ND2-O 2.89Å; N142-K179 PolarHBondContact OD1-N 3Å; N142-K179 VanDerWaalsContact OD1-N 3.07Å; P177-K179 PolarHBondContact O-N 3.22Å; K179-D181 PolarHBondContact O-N 3.2Å; K179-R185 CarbonylContact C-O 3.49Å; K179-A186 HydrophobicContact CG-CB 3.89Å |
| 180 | C | 86.8 | Confident | 84.3 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.02 | 37% | 0.366 | C | S | . | . | trans | -77.6 | 120.3 | 174.7 | -169.6 | 0 | 0 | 0 | 0 | 110.3 | S182 C183 G184 R185 L193 | C180-S182 PolarHBondContact O-N 2.78Å; C180-S182 PolarHBondContact SG-OG 2.78Å; C180-C183 VanDerWaalsContact CB-SG 3.59Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 VanDerWaalsContact SG-SG 3.65Å; C180-G184 VanDerWaalsContact O-CA 3.23Å; C180-G184 WeakPolarHBondContact O-CA 3.38Å; C180-G184 PolarHBondContact O-N 3.13Å; C180-R185 HydrophobicContact CB-CB 4.48Å; C180-R185 WeakPolarHBondContact CB-O 3.37Å; C180-R185 PolarHBondContact N-O 3.17Å; C180-L193 HydrophobicContact CB-CD1 3.79Å | ||
| 181 | D | 84.3 | Confident | 84.4 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -26.1 | -179.8 | -55.2 | -36 | 0 | 0 | 0 | 112.5 | R140 K179 | R140-D181 VanDerWaalsContact CD-OD2 3.26Å; R140-D181 WeakPolarHBondContact CD-OD2 3.23Å; R140-D181 IonicContact NE-OD2 2.75Å; R140-D181 PolarHBondContact NE-OD2 3.36Å; K179-D181 PolarHBondContact O-N 3.2Å |
| 182 | S | 84.9 | Confident | 84.8 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 57% | 0.566 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -23.3 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 115 | C180 H200 | C180-S182 PolarHBondContact O-N 2.78Å; C180-S182 PolarHBondContact SG-OG 2.78Å; S182-H200 PolarHBondContact OG-CD2 2.89Å; S182-H200 PolarHBondContact OG-NE2 3.18Å; S182-H200 VanDerWaalsContact OG-NE2 3.12Å |
| 183 | C | 88 | Confident | 85.4 | Confident | 64 Ų | 64 | 61 Ų | 61 | 43% | 0.432 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.3 | 2.6 | -177.5 | 69.1 | 0 | 0 | 0 | 0 | 114.8 | C180 R185 H196 H200 | C180-C183 VanDerWaalsContact CB-SG 3.59Å; C180-C183 PolarHBondContact O-N 3.49Å; C180-C183 VanDerWaalsContact SG-SG 3.65Å; C183-R185 PolarHBondContact O-N 3.17Å; C183-R185 VanDerWaalsContact SG-CB 3.53Å; C183-H196 PolarHBondContact SG-NE2 3.42Å; C183-H200 PolarHBondContact SG-NE2 2.67Å |
| 184 | G | 87.3 | Confident | 85.6 | Confident | 52 Ų | 52 | 61.7 Ų | 61.7 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | trans | 71.7 | -8.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | C180 A186 | C180-G184 VanDerWaalsContact O-CA 3.23Å; C180-G184 WeakPolarHBondContact O-CA 3.38Å; C180-G184 PolarHBondContact O-N 3.13Å; G184-A186 PolarHBondContact O-N 3.28Å | ||
| 185 | R | 88.3 | Confident | 85.7 | Confident | 160 Ų | 160 | 64.5 Ų | 64.5 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | trans | -62.3 | 130.1 | -176.1 | -169.2 | 170.4 | -177.3 | 163.3 | 4.8 | 111.7 | K179 C180 C183 F187 | K179-R185 CarbonylContact C-O 3.49Å; C180-R185 HydrophobicContact CB-CB 4.48Å; C180-R185 WeakPolarHBondContact CB-O 3.37Å; C180-R185 PolarHBondContact N-O 3.17Å; C183-R185 PolarHBondContact O-N 3.17Å; C183-R185 VanDerWaalsContact SG-CB 3.53Å; R185-F187 HydrophobicContact CB-CE2 4.09Å; R185-F187 HydrophobicContact CB-CZ 4.32Å; R185-F187 HydrophobicContact CG-CE2 3.9Å; R185-F187 HydrophobicContact CG-CZ 3.75Å; R185-F187 WeakPolarHBondContact O-CE2 3.24Å | ||
| 186 | A | 87.9 | Confident | 86.1 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 142.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K176 F178 K179 G184 | K176-A186 HydrophobicContact CB-CB 3.46Å; K176-A186 VanDerWaalsContact CB-CB 3.46Å; K176-A186 HydrophobicContact CD-CB 4.11Å; K176-A186 HydrophobicContact CG-CB 4.4Å; K176-A186 WeakPolarHBondContact O-CB 3.44Å; F178-A186 CarbonylContact O-C 3.57Å; F178-A186 WeakPolarHBondContact O-CA 3.36Å; K179-A186 HydrophobicContact CG-CB 3.89Å; G184-A186 PolarHBondContact O-N 3.28Å |
| 187 | F | 86.6 | Confident | 86.1 | Confident | 32 Ų | 32 | 60.6 Ų | 60.6 | 14% | 0.14 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.1 | -176.7 | -59.3 | -89 | 0 | 0 | 0 | 111.9 | K176 F178 R185 N192 L193 H196 | K176-F187 CarbonylContact C-O 3.47Å; K176-F187 WeakPolarHBondContact CA-O 3.32Å; F178-F187 HydrophobicContact CB-CB 4.31Å; F178-F187 WeakPolarHBondContact CB-O 3.36Å; F178-F187 WeakPolarHBondContact CD2-O 3.43Å; F178-F187 PolarHBondContact N-O 2.92Å; F178-F187 VanDerWaalsContact N-O 3.1Å; F178-F187 PolarHBondContact O-N 3.45Å; R185-F187 HydrophobicContact CB-CE2 4.09Å; R185-F187 HydrophobicContact CB-CZ 4.32Å; R185-F187 HydrophobicContact CG-CE2 3.9Å; R185-F187 HydrophobicContact CG-CZ 3.75Å; R185-F187 WeakPolarHBondContact O-CE2 3.24Å; F187-N192 HydrophobicContact CB-CB 4.22Å; F187-N192 HydrophobicContact CD1-CB 3.93Å; F187-N192 HydrophobicContact CG-CB 4.34Å; F187-L193 HydrophobicContact CB-CB 4.38Å; F187-L193 HydrophobicContact CD2-CB 3.97Å; F187-L193 HydrophobicContact CD2-CD1 3.8Å; F187-L193 HydrophobicContact CD2-CG 4.5Å; F187-L193 HydrophobicContact CE2-CD1 3.99Å; F187-L193 HydrophobicContact CG-CB 4.34Å; F187-H196 HydrophobicContact CE1-CB 3.96Å; F187-H196 HydrophobicContact CE2-CB 3.82Å; F187-H196 AromaticContact CE2-CD2 3.24Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.41Å; F187-H196 AromaticContact CE2-CG 3.61Å; F187-H196 AromaticContact CE2-NE2 3.96Å; F187-H196 HydrophobicContact CZ-CB 3.38Å; F187-H196 AromaticContact CZ-CD2 3.36Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.5Å; F187-H196 AromaticContact CZ-CG 3.22Å; F187-H196 AromaticContact CZ-ND1 3.85Å; F187-H196 AromaticContact CZ-NE2 3.97Å |
| 188 | R | 85.1 | Confident | 86.2 | Confident | 87 Ų | 87 | 60.9 Ų | 60.9 | 33% | 0.328 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -77.8 | -28.4 | 178.3 | -65.4 | -177.6 | 176.2 | 143.6 | -2.9 | 113.9 | R170 I171 E175 K176 F178 | R170-R188 HydrophobicContact CB-CB 4.45Å; R170-R188 HydrophobicContact CB-CG 4.37Å; R170-R188 PolarHBondContact NH1-O 2.77Å; R170-R188 PolarHBondContact O-NE 3.09Å; I171-R188 PolarHBondContact O-NH2 3.4Å; E175-R188 WeakPolarHBondContact O-CG 3.49Å; K176-R188 HydrophobicContact CG-CG 4.13Å; F178-R188 WeakPolarHBondContact CE2-O 3.38Å |
| 189 | Q | 84.3 | Confident | 86.1 | Confident | 70 Ų | 70 | 64.4 Ų | 64.4 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -128 | 145.3 | -175.3 | -71.8 | -179.9 | -25.2 | 0 | 0 | 110.9 | G191 N192 L193 | Q189-G191 PolarHBondContact O-N 3.02Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.23Å; Q189-L193 PolarHBondContact O-N 3.35Å |
| 190 | P | 85.1 | Confident | 86 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 18% | 0.175 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.9 | -37.7 | -177.4 | 28 | -32.5 | 0 | 0 | 0 | 111.9 | T146 Y163 F178 N192 L193 T194 | T146-P190 HydrophobicContact CG2-CB 3.56Å; T146-P190 HydrophobicContact CG2-CG 3.83Å; Y163-P190 WeakPolarHBondContact OH-CD 3.37Å; Y163-P190 WeakPolarHBondContact OH-CG 3.43Å; F178-P190 HydrophobicContact CD1-CB 4.24Å; F178-P190 HydrophobicContact CE1-CB 3.99Å; F178-P190 HydrophobicContact CE2-CB 4.29Å; F178-P190 HydrophobicContact CE2-CG 4.29Å; F178-P190 HydrophobicContact CZ-CB 4Å; F178-P190 HydrophobicContact CZ-CG 4.07Å; P190-N192 PolarHBondContact O-N 3.33Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.44Å; P190-L193 VanDerWaalsContact O-N 3.09Å; P190-T194 PolarHBondContact O-N 2.95Å; P190-T194 PolarHBondContact O-OG1 3.25Å |
| 191 | G | 85.3 | Confident | 85.6 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 49% | 0.485 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.3 | -32 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q189 R195 | Q189-G191 PolarHBondContact O-N 3.02Å; G191-R195 WeakPolarHBondContact O-CB 3.5Å; G191-R195 PolarHBondContact O-N 3Å |
| 192 | N | 88.1 | Confident | 85.2 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.241 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 175.5 | -70.2 | -27.7 | 0 | 0 | 0 | 111.9 | F187 Q189 P190 R195 H196 | F187-N192 HydrophobicContact CB-CB 4.22Å; F187-N192 HydrophobicContact CD1-CB 3.93Å; F187-N192 HydrophobicContact CG-CB 4.34Å; Q189-N192 WeakPolarHBondContact O-CB 3.42Å; Q189-N192 PolarHBondContact O-N 3.23Å; P190-N192 PolarHBondContact O-N 3.33Å; N192-R195 PolarHBondContact OD1-NH2 3.38Å; N192-H196 VanDerWaalsContact O-CB 3.32Å; N192-H196 WeakPolarHBondContact O-CB 3.36Å; N192-H196 PolarHBondContact O-N 3.2Å |
| 193 | L | 88 | Confident | 85 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.058 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 173 | 173.4 | 64.4 | 0 | 0 | 0 | 111 | N142 F178 C180 F187 Q189 P190 R195 H196 R197 | N142-L193 HydrophobicContact CB-CD2 3.93Å; N142-L193 WeakPolarHBondContact ND2-CD2 3.36Å; F178-L193 HydrophobicContact CB-CB 4.17Å; F178-L193 HydrophobicContact CB-CD2 3.99Å; C180-L193 HydrophobicContact CB-CD1 3.79Å; F187-L193 HydrophobicContact CB-CB 4.38Å; F187-L193 HydrophobicContact CD2-CB 3.97Å; F187-L193 HydrophobicContact CD2-CD1 3.8Å; F187-L193 HydrophobicContact CD2-CG 4.5Å; F187-L193 HydrophobicContact CE2-CD1 3.99Å; F187-L193 HydrophobicContact CG-CB 4.34Å; Q189-L193 PolarHBondContact O-N 3.35Å; P190-L193 WeakPolarHBondContact O-CB 3.45Å; P190-L193 PolarHBondContact O-N 3.44Å; P190-L193 VanDerWaalsContact O-N 3.09Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.1Å; L193-H196 WeakPolarHBondContact O-CB 3.47Å; L193-H196 PolarHBondContact O-N 3.47Å; L193-H196 VanDerWaalsContact O-N 3.13Å; L193-R197 HydrophobicContact CD1-CG 4.43Å; L193-R197 WeakPolarHBondContact O-CG 3.49Å; L193-R197 PolarHBondContact O-N 3.44Å |
| 194 | T | 85.7 | Confident | 84.8 | Confident | 87 Ų | 87 | 69.6 Ų | 69.6 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | P190 H196 R197 | P190-T194 PolarHBondContact O-N 2.95Å; P190-T194 PolarHBondContact O-OG1 3.25Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.28Å; T194-R197 WeakPolarHBondContact O-CB 3.35Å; T194-R197 PolarHBondContact O-N 2.83Å |
| 195 | R | 84.4 | Confident | 84.6 | Confident | 95 Ų | 95 | 70.8 Ų | 70.8 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.6 | -177.9 | 176 | 65.5 | -149.6 | -5.8 | 112.3 | G191 N192 L193 R197 L198 R217 | G191-R195 WeakPolarHBondContact O-CB 3.5Å; G191-R195 PolarHBondContact O-N 3Å; N192-R195 PolarHBondContact OD1-NH2 3.38Å; L193-R195 VanDerWaalsContact C-N 3.34Å; L193-R195 PolarHBondContact O-N 3.1Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.17Å; R195-L198 WeakPolarHBondContact O-CB 3.47Å; R195-L198 PolarHBondContact O-N 2.85Å; R195-R217 HydrophobicContact CG-CG 4.35Å |
| 196 | H | 87.9 | Confident | 84.4 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.4 | -37 | 175.4 | 168.6 | 59.3 | 0 | 0 | 0 | 111.8 | C183 F187 N192 L193 T194 L198 T199 H200 | C183-H196 PolarHBondContact SG-NE2 3.42Å; F187-H196 HydrophobicContact CE1-CB 3.96Å; F187-H196 HydrophobicContact CE2-CB 3.82Å; F187-H196 AromaticContact CE2-CD2 3.24Å; F187-H196 WeakPolarHBondContact CE2-CD2 3.41Å; F187-H196 AromaticContact CE2-CG 3.61Å; F187-H196 AromaticContact CE2-NE2 3.96Å; F187-H196 HydrophobicContact CZ-CB 3.38Å; F187-H196 AromaticContact CZ-CD2 3.36Å; F187-H196 WeakPolarHBondContact CZ-CD2 3.5Å; F187-H196 AromaticContact CZ-CG 3.22Å; F187-H196 AromaticContact CZ-ND1 3.85Å; F187-H196 AromaticContact CZ-NE2 3.97Å; N192-H196 VanDerWaalsContact O-CB 3.32Å; N192-H196 WeakPolarHBondContact O-CB 3.36Å; N192-H196 PolarHBondContact O-N 3.2Å; L193-H196 WeakPolarHBondContact O-CB 3.47Å; L193-H196 PolarHBondContact O-N 3.47Å; L193-H196 VanDerWaalsContact O-N 3.13Å; T194-H196 VanDerWaalsContact C-N 3.33Å; T194-H196 PolarHBondContact O-N 3.28Å; H196-L198 PolarHBondContact O-N 3.42Å; H196-L198 VanDerWaalsContact O-N 3.17Å; H196-T199 PolarHBondContact ND1-OG1 3.41Å; H196-T199 WeakPolarHBondContact O-CB 3.42Å; H196-T199 PolarHBondContact O-N 3.44Å; H196-T199 PolarHBondContact O-OG1 2.96Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-NE2 3.44Å; H196-H200 PolarHBondContact NE2-NE2 3.07Å |
| 197 | R | 85.8 | Confident | 84.4 | Confident | 92 Ų | 92 | 69 Ų | 69 | 35% | 0.347 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -29.8 | 176.8 | -71.4 | 178.6 | 64.8 | -138 | -11.4 | 113.1 | R140 L193 T194 R195 T199 H200 T201 | R140-R197 VanDerWaalsContact NH1-CZ 3.29Å; R140-R197 VanDerWaalsContact NH1-NH1 3.1Å; R140-R197 VanDerWaalsContact NH2-NH2 3.14Å; L193-R197 HydrophobicContact CD1-CG 4.43Å; L193-R197 WeakPolarHBondContact O-CG 3.49Å; L193-R197 PolarHBondContact O-N 3.44Å; T194-R197 WeakPolarHBondContact O-CB 3.35Å; T194-R197 PolarHBondContact O-N 2.83Å; R195-R197 VanDerWaalsContact C-N 3.31Å; R195-R197 PolarHBondContact O-N 3.17Å; R197-T199 PolarHBondContact O-N 3.31Å; R197-H200 WeakPolarHBondContact O-CB 3.28Å; R197-H200 PolarHBondContact O-N 3.46Å; R197-T201 PolarHBondContact O-N 3.34Å |
| 198 | L | 84.8 | Confident | 84.4 | Confident | 46 Ų | 46 | 67.5 Ų | 67.5 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.4 | -22.7 | 173.5 | -61 | 172.7 | 0 | 0 | 0 | 113 | R195 H196 H200 V203 N216 | R195-L198 WeakPolarHBondContact O-CB 3.47Å; R195-L198 PolarHBondContact O-N 2.85Å; H196-L198 PolarHBondContact O-N 3.42Å; H196-L198 VanDerWaalsContact O-N 3.17Å; L198-H200 VanDerWaalsContact C-N 3.27Å; L198-V203 HydrophobicContact CD2-CB 4.33Å; L198-V203 HydrophobicContact CD2-CG1 4.24Å; L198-N216 HydrophobicContact CB-CB 4.38Å |
| 199 | T | 84.4 | Confident | 84.4 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.4 | -20.5 | 174.6 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | H196 R197 | H196-T199 PolarHBondContact ND1-OG1 3.41Å; H196-T199 WeakPolarHBondContact O-CB 3.42Å; H196-T199 PolarHBondContact O-N 3.44Å; H196-T199 PolarHBondContact O-OG1 2.96Å; R197-T199 PolarHBondContact O-N 3.31Å |
| 200 | H | 84.1 | Confident | 84.3 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 39% | 0.394 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -84.1 | -33.7 | 174 | -69.1 | -61.3 | 0 | 0 | 0 | 112.5 | S182 C183 H196 R197 L198 | S182-H200 PolarHBondContact OG-CD2 2.89Å; S182-H200 PolarHBondContact OG-NE2 3.18Å; S182-H200 VanDerWaalsContact OG-NE2 3.12Å; C183-H200 PolarHBondContact SG-NE2 2.67Å; H196-H200 AromaticContact CE1-NE2 3.66Å; H196-H200 AromaticContact NE2-NE2 3.44Å; H196-H200 PolarHBondContact NE2-NE2 3.07Å; R197-H200 WeakPolarHBondContact O-CB 3.28Å; R197-H200 PolarHBondContact O-N 3.46Å; L198-H200 VanDerWaalsContact C-N 3.27Å |
| 201 | T | 76.7 | Confident | 84.4 | Confident | 69 Ų | 69 | 74.5 Ų | 74.5 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -91.8 | 5.4 | -169.1 | 56.1 | 0 | 0 | 0 | 0 | 114.7 | R197 V203 | R197-T201 PolarHBondContact O-N 3.34Å; T201-V203 WeakPolarHBondContact O-CG2 3.34Å; T201-V203 PolarHBondContact O-N 3.38Å |
| 202 | T | 76.1 | Confident | 84.4 | Confident | 128 Ų | 128 | 75 Ų | 75 | 79% | 0.785 | 41% | 0.412 | S | S | * | . | trans | 50.1 | 6 | -170.2 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | K204 | T202-K204 PolarHBondContact O-N 2.93Š| ||
| 203 | V | 81.6 | Confident | 84.3 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 46% | 0.455 | 43% | 0.429 | S | S | . | . | trans | -72.2 | 122.1 | -179.1 | 171.9 | 0 | 0 | 0 | 0 | 108.4 | L198 T201 | L198-V203 HydrophobicContact CD2-CB 4.33Å; L198-V203 HydrophobicContact CD2-CG1 4.24Å; T201-V203 WeakPolarHBondContact O-CG2 3.34Å; T201-V203 PolarHBondContact O-N 3.38Å | ||
| 204 | K | 83.5 | Confident | 84.3 | Confident | 122 Ų | 122 | 81.3 Ų | 81.3 | 53% | 0.53 | 44% | 0.438 | S | S | . | . | trans | -126.1 | 86.7 | 179.5 | -64.9 | -173.9 | -171.8 | 176.5 | 0 | 108.7 | T202 Y206 A214 F215 | T202-K204 PolarHBondContact O-N 2.93Å; K204-Y206 PolarHBondContact O-N 3.26Å; K204-A214 HydrophobicContact CB-CB 3.49Å; K204-A214 VanDerWaalsContact CB-CB 3.49Å; K204-A214 HydrophobicContact CD-CB 3.98Å; K204-A214 VanDerWaalsContact CD-O 3.23Å; K204-A214 WeakPolarHBondContact CD-O 3.26Å; K204-A214 HydrophobicContact CG-CB 4.42Å; K204-F215 CarbonylContact C-O 3.45Å; K204-F215 WeakPolarHBondContact CA-O 3.49Å | ||
| 205 | P | 82.4 | Confident | 84.1 | Confident | 78 Ų | 78 | 78.5 Ų | 78.5 | 51% | 0.506 | 42% | 0.419 | S | S | . | . | trans | -73.9 | -8.2 | -170.4 | 28.4 | -31.7 | 0 | 0 | 0 | 113.6 | ||||
| 206 | Y | 85.4 | Confident | 84.1 | Confident | 98 Ų | 98 | 76.1 Ų | 76.1 | 38% | 0.384 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 99.4 | -176.7 | -55.4 | -73.3 | 0 | 0 | 0 | 110 | K204 A214 F215 A218 | K204-Y206 PolarHBondContact O-N 3.26Å; Y206-A214 CarbonylContact O-C 3.44Å; Y206-A214 WeakPolarHBondContact O-CA 3.47Å; Y206-F215 PolarHBondContact N-O 3.42Å; Y206-F215 VanDerWaalsContact N-O 3.17Å; Y206-F215 PolarHBondContact O-N 2.81Å; Y206-A218 HydrophobicContact CD1-CB 3.99Å; Y206-A218 VanDerWaalsContact CD2-N 3.31Å; Y206-A218 HydrophobicContact CE1-CB 3.75Å; Y206-A218 HydrophobicContact CE2-CB 4.31Å; Y206-A218 VanDerWaalsContact CE2-N 3.35Å; Y206-A218 HydrophobicContact CG-CB 4.38Å |
| 207 | A | 86.8 | Confident | 83.9 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 148.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L221 | A207-L221 WeakPolarHBondContact O-CD2 3.48Å |
| 208 | C | 86.6 | Confident | 83.9 | Confident | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.014 | 43% | 0.428 | C | S | . | . | trans | -84.4 | 122.6 | 168.8 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | Q210 G212 R213 L221 H224 M225 H228 | C208-Q210 PolarHBondContact O-N 3.01Å; C208-Q210 PolarHBondContact SG-N 3.16Å; C208-Q210 VanDerWaalsContact SG-N 3.39Å; C208-G212 VanDerWaalsContact O-CA 3.23Å; C208-G212 WeakPolarHBondContact O-CA 3.43Å; C208-G212 PolarHBondContact O-N 2.93Å; C208-R213 WeakPolarHBondContact CB-O 3.22Å; C208-R213 PolarHBondContact N-O 2.92Å; C208-L221 HydrophobicContact CB-CD1 3.81Å; C208-H224 WeakPolarHBondContact CB-NE2 3.47Å; C208-M225 HydrophobicContact CB-SD 4.13Å; C208-M225 PolarHBondContact SG-SD 2.8Å; C208-H228 PolarHBondContact SG-NE2 3.18Å | ||
| 209 | D | 85.4 | Confident | 84 | Confident | 152 Ų | 152 | 77.9 Ų | 77.9 | 81% | 0.813 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -22 | 179.1 | -57.7 | -32.4 | 0 | 0 | 0 | 113 | ||
| 210 | Q | 82.9 | Confident | 84.1 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 53% | 0.528 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -28.4 | -177.2 | -64 | -171.5 | 4.3 | 0 | 0 | 114.4 | C208 M225 | C208-Q210 PolarHBondContact O-N 3.01Å; C208-Q210 PolarHBondContact SG-N 3.16Å; C208-Q210 VanDerWaalsContact SG-N 3.39Å; Q210-M225 HydrophobicContact CG-CE 4.32Å |
| 211 | C | 86.5 | Confident | 84.2 | Confident | 65 Ų | 65 | 74.1 Ų | 74.1 | 44% | 0.439 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 1.7 | -178.6 | 69.1 | 0 | 0 | 0 | 0 | 115 | R213 H224 H228 | C211-R213 PolarHBondContact O-N 3.43Å; C211-R213 VanDerWaalsContact O-N 3.09Å; C211-R213 WeakPolarHBondContact SG-CB 3.26Å; C211-H224 PolarHBondContact SG-NE2 3.3Å; C211-H228 PolarHBondContact SG-NE2 3.34Å; C211-H228 VanDerWaalsContact SG-NE2 3.43Å |
| 212 | G | 86 | Confident | 84.6 | Confident | 57 Ų | 57 | 76 Ų | 76 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | trans | 70.4 | -1.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | C208 A214 | C208-G212 VanDerWaalsContact O-CA 3.23Å; C208-G212 WeakPolarHBondContact O-CA 3.43Å; C208-G212 PolarHBondContact O-N 2.93Å; G212-A214 PolarHBondContact O-N 3.41Å | ||
| 213 | R | 86.4 | Confident | 84.9 | Confident | 159 Ų | 159 | 72.1 Ų | 72.1 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | trans | -67.6 | 123.3 | -178.3 | -170.6 | 171 | -177.2 | 171.4 | 4.7 | 110.8 | C208 C211 F215 | C208-R213 WeakPolarHBondContact CB-O 3.22Å; C208-R213 PolarHBondContact N-O 2.92Å; C211-R213 PolarHBondContact O-N 3.43Å; C211-R213 VanDerWaalsContact O-N 3.09Å; C211-R213 WeakPolarHBondContact SG-CB 3.26Å; R213-F215 HydrophobicContact CB-CE2 4.11Å; R213-F215 HydrophobicContact CB-CZ 4.32Å; R213-F215 HydrophobicContact CG-CE1 4.5Å; R213-F215 HydrophobicContact CG-CE2 3.9Å; R213-F215 HydrophobicContact CG-CZ 3.75Å; R213-F215 WeakPolarHBondContact O-CD2 3.19Å; R213-F215 VanDerWaalsContact O-CE2 3.27Å; R213-F215 WeakPolarHBondContact O-CE2 3.49Å | ||
| 214 | A | 86.4 | Confident | 85.2 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 149.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K204 Y206 G212 | K204-A214 HydrophobicContact CB-CB 3.49Å; K204-A214 VanDerWaalsContact CB-CB 3.49Å; K204-A214 HydrophobicContact CD-CB 3.98Å; K204-A214 VanDerWaalsContact CD-O 3.23Å; K204-A214 WeakPolarHBondContact CD-O 3.26Å; K204-A214 HydrophobicContact CG-CB 4.42Å; Y206-A214 CarbonylContact O-C 3.44Å; Y206-A214 WeakPolarHBondContact O-CA 3.47Å; G212-A214 PolarHBondContact O-N 3.41Å |
| 215 | F | 83.2 | Confident | 85.1 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 13% | 0.127 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.1 | -178.4 | -59.1 | -89.5 | 0 | 0 | 0 | 111.4 | K204 Y206 R213 N220 L221 H224 | K204-F215 CarbonylContact C-O 3.45Å; K204-F215 WeakPolarHBondContact CA-O 3.49Å; Y206-F215 PolarHBondContact N-O 3.42Å; Y206-F215 VanDerWaalsContact N-O 3.17Å; Y206-F215 PolarHBondContact O-N 2.81Å; R213-F215 HydrophobicContact CB-CE2 4.11Å; R213-F215 HydrophobicContact CB-CZ 4.32Å; R213-F215 HydrophobicContact CG-CE1 4.5Å; R213-F215 HydrophobicContact CG-CE2 3.9Å; R213-F215 HydrophobicContact CG-CZ 3.75Å; R213-F215 WeakPolarHBondContact O-CD2 3.19Å; R213-F215 VanDerWaalsContact O-CE2 3.27Å; R213-F215 WeakPolarHBondContact O-CE2 3.49Å; F215-N220 HydrophobicContact CB-CB 4.27Å; F215-N220 HydrophobicContact CD1-CB 3.92Å; F215-N220 HydrophobicContact CG-CB 4.32Å; F215-L221 HydrophobicContact CB-CB 4.47Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 3.9Å; F215-L221 HydrophobicContact CE2-CD1 4.07Å; F215-L221 HydrophobicContact CG-CB 4.42Å; F215-H224 HydrophobicContact CE1-CB 4.02Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.21Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.6Å; F215-H224 AromaticContact CE2-NE2 3.87Å; F215-H224 HydrophobicContact CZ-CB 3.41Å; F215-H224 VanDerWaalsContact CZ-CB 3.41Å; F215-H224 AromaticContact CZ-CD2 3.37Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.22Å; F215-H224 AromaticContact CZ-CG 3.25Å; F215-H224 AromaticContact CZ-ND1 3.87Å; F215-H224 AromaticContact CZ-NE2 3.95Å |
| 216 | N | 83.5 | Confident | 85.1 | Confident | 44 Ų | 44 | 64.9 Ų | 64.9 | 24% | 0.235 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -87.8 | -1.2 | 175.6 | 64.6 | -2.9 | 0 | 0 | 0 | 113.8 | L198 | L198-N216 HydrophobicContact CB-CB 4.38Š|
| 217 | R | 84.5 | Confident | 84.9 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | trans | -141.3 | 133.5 | -179.7 | -66.3 | 179.7 | 67 | 169 | -2.3 | 110.7 | R195 S219 N220 L221 | R195-R217 HydrophobicContact CG-CG 4.35Å; R217-S219 VanDerWaalsContact C-N 3.27Å; R217-S219 PolarHBondContact NE-OG 3.22Å; R217-S219 PolarHBondContact NH2-OG 3.32Å; R217-S219 PolarHBondContact O-N 2.97Å; R217-N220 HydrophobicContact CB-CB 4.1Å; R217-N220 WeakPolarHBondContact O-CB 3.27Å; R217-N220 PolarHBondContact O-N 3.19Å; R217-L221 PolarHBondContact O-N 3.35Å; R217-L221 VanDerWaalsContact O-N 3.13Å | ||
| 218 | A | 85.7 | Confident | 84.7 | Confident | 50 Ų | 50 | 64.3 Ų | 64.3 | 41% | 0.413 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.9 | -39.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y206 N220 L221 H222 | Y206-A218 HydrophobicContact CD1-CB 3.99Å; Y206-A218 VanDerWaalsContact CD2-N 3.31Å; Y206-A218 HydrophobicContact CE1-CB 3.75Å; Y206-A218 HydrophobicContact CE2-CB 4.31Å; Y206-A218 VanDerWaalsContact CE2-N 3.35Å; Y206-A218 HydrophobicContact CG-CB 4.38Å; A218-N220 PolarHBondContact O-N 3.19Å; A218-L221 PolarHBondContact O-N 3.46Å; A218-H222 PolarHBondContact O-N 2.95Å |
| 219 | S | 85.6 | Confident | 83.9 | Confident | 53 Ų | 53 | 65.6 Ų | 65.6 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.6 | -36.1 | 175.5 | 59.6 | 0 | 0 | 0 | 0 | 112.6 | R217 T223 | R217-S219 VanDerWaalsContact C-N 3.27Å; R217-S219 PolarHBondContact NE-OG 3.22Å; R217-S219 PolarHBondContact NH2-OG 3.32Å; R217-S219 PolarHBondContact O-N 2.97Å; S219-T223 WeakPolarHBondContact O-CG2 3.46Å; S219-T223 PolarHBondContact O-N 3.13Å; S219-T223 PolarHBondContact O-OG1 2.97Å |
| 220 | N | 86.6 | Confident | 83.1 | Confident | 55 Ų | 55 | 67.1 Ų | 67.1 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -75.3 | -40.5 | -179 | -66.4 | 14.1 | 0 | 0 | 0 | 110.6 | F215 R217 A218 T223 H224 | F215-N220 HydrophobicContact CB-CB 4.27Å; F215-N220 HydrophobicContact CD1-CB 3.92Å; F215-N220 HydrophobicContact CG-CB 4.32Å; R217-N220 HydrophobicContact CB-CB 4.1Å; R217-N220 WeakPolarHBondContact O-CB 3.27Å; R217-N220 PolarHBondContact O-N 3.19Å; A218-N220 PolarHBondContact O-N 3.19Å; N220-T223 WeakPolarHBondContact CA-OG1 3.46Å; N220-T223 PolarHBondContact O-N 3.29Å; N220-T223 PolarHBondContact O-OG1 3.02Å; N220-H224 VanDerWaalsContact O-CB 3.29Å; N220-H224 WeakPolarHBondContact O-CB 3.49Å; N220-H224 PolarHBondContact O-N 2.71Å |
| 221 | L | 87.3 | Confident | 82.5 | Confident | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 170.2 | 174.3 | 61.3 | 0 | 0 | 0 | 110.1 | A207 C208 F215 R217 A218 T223 H224 M225 | A207-L221 WeakPolarHBondContact O-CD2 3.48Å; C208-L221 HydrophobicContact CB-CD1 3.81Å; F215-L221 HydrophobicContact CB-CB 4.47Å; F215-L221 HydrophobicContact CD2-CB 4Å; F215-L221 HydrophobicContact CD2-CD1 3.9Å; F215-L221 HydrophobicContact CE2-CD1 4.07Å; F215-L221 HydrophobicContact CG-CB 4.42Å; R217-L221 PolarHBondContact O-N 3.35Å; R217-L221 VanDerWaalsContact O-N 3.13Å; A218-L221 PolarHBondContact O-N 3.46Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.41Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 WeakPolarHBondContact O-CA 3.39Å; L221-H224 WeakPolarHBondContact O-CB 3.43Å; L221-H224 PolarHBondContact O-N 3.37Å; L221-M225 HydrophobicContact CD1-CG 4.28Å; L221-M225 HydrophobicContact CD1-SD 3.68Å; L221-M225 HydrophobicContact CG-CG 4.44Å; L221-M225 HydrophobicContact CG-SD 4.41Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.36Å; L221-M225 PolarHBondContact O-N 2.87Å |
| 222 | H | 84.4 | Confident | 82.1 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 178.9 | 178.5 | 78.4 | 0 | 0 | 0 | 112.5 | A218 H224 M225 R226 | A218-H222 PolarHBondContact O-N 2.95Å; H222-H224 VanDerWaalsContact C-N 3.31Å; H222-H224 PolarHBondContact O-N 3.46Å; H222-M225 PolarHBondContact O-N 3.28Å; H222-R226 PolarHBondContact NE2-NH2 3.5Å; H222-R226 VanDerWaalsContact NE2-NH2 3.13Å |
| 223 | T | 83.5 | Confident | 81.8 | Confident | 48 Ų | 48 | 70 Ų | 70 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.3 | -34.7 | 175 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | S219 N220 L221 R226 | S219-T223 WeakPolarHBondContact O-CG2 3.46Å; S219-T223 PolarHBondContact O-N 3.13Å; S219-T223 PolarHBondContact O-OG1 2.97Å; N220-T223 WeakPolarHBondContact CA-OG1 3.46Å; N220-T223 PolarHBondContact O-N 3.29Å; N220-T223 PolarHBondContact O-OG1 3.02Å; L221-T223 VanDerWaalsContact C-N 3.32Å; L221-T223 PolarHBondContact O-N 3.41Å; T223-R226 VanDerWaalsContact O-CB 3.32Å; T223-R226 WeakPolarHBondContact O-CB 3.49Å; T223-R226 PolarHBondContact O-N 2.76Å |
| 224 | H | 86 | Confident | 81.7 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 9% | 0.088 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 175.1 | 165 | 63.2 | 0 | 0 | 0 | 112.2 | C208 C211 F215 N220 L221 H222 R226 T227 H228 | C208-H224 WeakPolarHBondContact CB-NE2 3.47Å; C211-H224 PolarHBondContact SG-NE2 3.3Å; F215-H224 HydrophobicContact CE1-CB 4.02Å; F215-H224 HydrophobicContact CE2-CB 3.86Å; F215-H224 AromaticContact CE2-CD2 3.21Å; F215-H224 WeakPolarHBondContact CE2-CD2 3.42Å; F215-H224 AromaticContact CE2-CG 3.6Å; F215-H224 AromaticContact CE2-NE2 3.87Å; F215-H224 HydrophobicContact CZ-CB 3.41Å; F215-H224 VanDerWaalsContact CZ-CB 3.41Å; F215-H224 AromaticContact CZ-CD2 3.37Å; F215-H224 WeakPolarHBondContact CZ-CD2 3.22Å; F215-H224 AromaticContact CZ-CG 3.25Å; F215-H224 AromaticContact CZ-ND1 3.87Å; F215-H224 AromaticContact CZ-NE2 3.95Å; N220-H224 VanDerWaalsContact O-CB 3.29Å; N220-H224 WeakPolarHBondContact O-CB 3.49Å; N220-H224 PolarHBondContact O-N 2.71Å; L221-H224 CarbonylContact O-C 3.58Å; L221-H224 WeakPolarHBondContact O-CA 3.39Å; L221-H224 WeakPolarHBondContact O-CB 3.43Å; L221-H224 PolarHBondContact O-N 3.37Å; H222-H224 VanDerWaalsContact C-N 3.31Å; H222-H224 PolarHBondContact O-N 3.46Å; H224-R226 PolarHBondContact O-N 3.4Å; H224-T227 PolarHBondContact ND1-OG1 2.97Å; H224-T227 WeakPolarHBondContact O-CB 3.27Å; H224-T227 PolarHBondContact O-N 2.99Å; H224-T227 PolarHBondContact O-OG1 2.93Å; H224-H228 AromaticContact CE1-NE2 3.33Å; H224-H228 PolarHBondContact CE1-NE2 3.3Å; H224-H228 VanDerWaalsContact CE1-NE2 3.33Å; H224-H228 AromaticContact NE2-CD2 3.94Å; H224-H228 AromaticContact NE2-NE2 3.25Å; H224-H228 PolarHBondContact NE2-NE2 3.17Å |
| 225 | M | 83.1 | Confident | 81.7 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -25.7 | 174.4 | -59.4 | -44.5 | -75.1 | 0 | 0 | 112.2 | M98 C208 Q210 L221 H222 T227 H228 C229 | M98-M225 HydrophobicContact CE-CE 3.22Å; M98-M225 HydrophobicContact SD-CE 4.35Å; C208-M225 HydrophobicContact CB-SD 4.13Å; C208-M225 PolarHBondContact SG-SD 2.8Å; Q210-M225 HydrophobicContact CG-CE 4.32Å; L221-M225 HydrophobicContact CD1-CG 4.28Å; L221-M225 HydrophobicContact CD1-SD 3.68Å; L221-M225 HydrophobicContact CG-CG 4.44Å; L221-M225 HydrophobicContact CG-SD 4.41Å; L221-M225 VanDerWaalsContact O-CG 3.31Å; L221-M225 WeakPolarHBondContact O-CG 3.36Å; L221-M225 PolarHBondContact O-N 2.87Å; H222-M225 PolarHBondContact O-N 3.28Å; M225-T227 PolarHBondContact O-N 3.32Å; M225-H228 PolarHBondContact O-N 3.35Å; M225-C229 PolarHBondContact O-N 3.31Å |
| 226 | R | 81.3 | Confident | 81.9 | Confident | 67 Ų | 67 | 65.2 Ų | 65.2 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.9 | -20.5 | 173.3 | -53.8 | 179.3 | -175.1 | -164.5 | -4.4 | 113.3 | H222 T223 H224 H228 C229 N244 | H222-R226 PolarHBondContact NE2-NH2 3.5Å; H222-R226 VanDerWaalsContact NE2-NH2 3.13Å; T223-R226 VanDerWaalsContact O-CB 3.32Å; T223-R226 WeakPolarHBondContact O-CB 3.49Å; T223-R226 PolarHBondContact O-N 2.76Å; H224-R226 PolarHBondContact O-N 3.4Å; R226-H228 VanDerWaalsContact C-N 3.3Å; R226-C229 PolarHBondContact O-N 3.39Å; R226-N244 PolarHBondContact O-ND2 2.64Å |
| 227 | T | 81.9 | Confident | 82 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -76.5 | -22.3 | 174.9 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | H224 M225 | H224-T227 PolarHBondContact ND1-OG1 2.97Å; H224-T227 WeakPolarHBondContact O-CB 3.27Å; H224-T227 PolarHBondContact O-N 2.99Å; H224-T227 PolarHBondContact O-OG1 2.93Å; M225-T227 PolarHBondContact O-N 3.32Å |
| 228 | H | 81.2 | Confident | 82 | Confident | 62 Ų | 62 | 72.4 Ų | 72.4 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -79.8 | -23.6 | 172.1 | -68.9 | -63.8 | 0 | 0 | 0 | 112.8 | C208 C211 H224 M225 R226 | C208-H228 PolarHBondContact SG-NE2 3.18Å; C211-H228 PolarHBondContact SG-NE2 3.34Å; C211-H228 VanDerWaalsContact SG-NE2 3.43Å; H224-H228 AromaticContact CE1-NE2 3.33Å; H224-H228 PolarHBondContact CE1-NE2 3.3Å; H224-H228 VanDerWaalsContact CE1-NE2 3.33Å; H224-H228 AromaticContact NE2-CD2 3.94Å; H224-H228 AromaticContact NE2-NE2 3.25Å; H224-H228 PolarHBondContact NE2-NE2 3.17Å; M225-H228 PolarHBondContact O-N 3.35Å; R226-H228 VanDerWaalsContact C-N 3.3Å |
| 229 | C | 71.2 | Confident | 82.1 | Confident | 28 Ų | 28 | 73.1 Ų | 73.1 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -88.9 | 130.7 | 175 | -155.8 | 0 | 0 | 0 | 0 | 109.6 | M225 R226 F231 | M225-C229 PolarHBondContact O-N 3.31Å; R226-C229 PolarHBondContact O-N 3.39Å; C229-F231 HydrophobicContact CB-CB 4.2Å; C229-F231 PolarHBondContact O-N 3.37Å; C229-F231 WeakPolarHBondContact SG-CB 3.31Å |
| 230 | H | 68.3 | Low | 82 | Confident | 185 Ų | 185 | 73.2 Ų | 73.2 | 86% | 0.856 | 39% | 0.39 | S | S | * | . | trans | -70 | -2.6 | 166.4 | -61.9 | -66.1 | 0 | 0 | 0 | 112.3 | R232 | H230-R232 PolarHBondContact O-N 3.12Š| ||
| 231 | F | 70.7 | Confident | 82 | Confident | 110 Ų | 110 | 76.5 Ų | 76.5 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | trans | -70.9 | 113.2 | 174.2 | -172.2 | -106.9 | 0 | 0 | 0 | 111.5 | W99 C229 P233 | W99-F231 AromaticContact CH2-CD1 3.3Å; W99-F231 HydrophobicContact CH2-CD1 3.3Å; W99-F231 AromaticContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CE1 3.28Å; W99-F231 HydrophobicContact CH2-CG 4.44Å; W99-F231 HydrophobicContact CH2-CZ 4.41Å; W99-F231 AromaticContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CD1 3.62Å; W99-F231 HydrophobicContact CZ2-CE1 4.08Å; W99-F231 HydrophobicContact CZ2-CG 4.48Å; W99-F231 HydrophobicContact CZ3-CD1 4.33Å; W99-F231 AromaticContact CZ3-CE1 3.93Å; W99-F231 HydrophobicContact CZ3-CE1 3.93Å; C229-F231 HydrophobicContact CB-CB 4.2Å; C229-F231 PolarHBondContact O-N 3.37Å; C229-F231 WeakPolarHBondContact SG-CB 3.31Å; F231-P233 HydrophobicContact CD1-CB 4.35Å; F231-P233 HydrophobicContact CE1-CB 3.78Å; F231-P233 HydrophobicContact CE1-CG 4.42Å; F231-P233 HydrophobicContact CZ-CB 4.49Å; F231-P233 VanDerWaalsContact O-CD 3.24Å; F231-P233 WeakPolarHBondContact O-CD 3.35Å | ||
| 232 | R | 77.9 | Confident | 82 | Confident | 132 Ų | 132 | 75.7 Ų | 75.7 | 50% | 0.498 | 40% | 0.401 | S | S | . | . | trans | -107.5 | 89.8 | -179.4 | -78.2 | 164.7 | 176.6 | -97.1 | -1.1 | 109.4 | H230 F234 G242 F243 N244 | H230-R232 PolarHBondContact O-N 3.12Å; R232-F234 PolarHBondContact O-N 2.85Å; R232-F234 VanDerWaalsContact O-N 3.14Å; R232-G242 WeakPolarHBondContact CD-O 3.08Å; R232-G242 PolarHBondContact NH1-O 2.84Å; R232-F243 CarbonylContact C-O 3.47Å; R232-N244 WeakPolarHBondContact CG-OD1 3.44Å | ||
| 233 | P | 79.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 71.7 Ų | 71.7 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | trans | -66.5 | -16.8 | -171.6 | 23.5 | -33.3 | 0 | 0 | 0 | 114.4 | F231 | F231-P233 HydrophobicContact CD1-CB 4.35Å; F231-P233 HydrophobicContact CE1-CB 3.78Å; F231-P233 HydrophobicContact CE1-CG 4.42Å; F231-P233 HydrophobicContact CZ-CB 4.49Å; F231-P233 VanDerWaalsContact O-CD 3.24Å; F231-P233 WeakPolarHBondContact O-CD 3.35Å | ||
| 234 | F | 84.2 | Confident | 81.8 | Confident | 56 Ų | 56 | 70.4 Ų | 70.4 | 25% | 0.246 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 96.6 | -176 | -57.2 | -68.7 | 0 | 0 | 0 | 109.7 | R232 G242 F243 K246 L249 | R232-F234 PolarHBondContact O-N 2.85Å; R232-F234 VanDerWaalsContact O-N 3.14Å; F234-G242 CarbonylContact O-C 3.52Å; F234-F243 HydrophobicContact CB-CB 4.29Å; F234-F243 PolarHBondContact N-O 3.33Å; F234-F243 WeakPolarHBondContact O-CD2 3.45Å; F234-F243 PolarHBondContact O-N 3Å; F234-K246 HydrophobicContact CD1-CB 4.4Å; F234-K246 HydrophobicContact CE1-CB 4.17Å; F234-K246 HydrophobicContact CE2-CB 4.41Å; F234-K246 HydrophobicContact CZ-CB 4.18Å; F234-L249 HydrophobicContact CB-CB 4.08Å; F234-L249 HydrophobicContact CB-CD2 3.81Å |
| 235 | A | 85.4 | Confident | 81.7 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 143.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | K241 | A235-K241 WeakPolarHBondContact CA-O 3.26Å |
| 236 | C | 88 | Confident | 81.8 | Confident | 4 Ų | 4 | 77.1 Ų | 77.1 | 3% | 0.027 | 40% | 0.402 | C | S | . | . | trans | -71.9 | 131.8 | 168.4 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | H238 G240 K241 L249 H252 N253 H256 | C236-H238 VanDerWaalsContact C-N 3.3Å; C236-H238 PolarHBondContact SG-N 3.18Å; C236-G240 WeakPolarHBondContact O-CA 3.45Å; C236-G240 PolarHBondContact O-N 2.88Å; C236-K241 PolarHBondContact N-O 3.15Å; C236-L249 HydrophobicContact CB-CD1 3.94Å; C236-H252 VanDerWaalsContact CB-CD2 3.49Å; C236-H252 WeakPolarHBondContact CB-CD2 3.3Å; C236-H252 VanDerWaalsContact CB-NE2 3.27Å; C236-H252 WeakPolarHBondContact CB-NE2 3.5Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C236-N253 PolarHBondContact SG-OD1 3.4Å; C236-H256 PolarHBondContact SG-CD2 2.97Å; C236-H256 PolarHBondContact SG-NE2 3.43Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å | ||
| 237 | V | 85.8 | Confident | 82.1 | Confident | 141 Ų | 141 | 79.1 Ų | 79.1 | 86% | 0.855 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -29 | 176.3 | -176.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 238 | H | 83.6 | Confident | 82.4 | Confident | 149 Ų | 149 | 78.8 Ų | 78.8 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -35.6 | -176.2 | -62.5 | -64.4 | 0 | 0 | 0 | 113.8 | C236 | C236-H238 VanDerWaalsContact C-N 3.3Å; C236-H238 PolarHBondContact SG-N 3.18Å |
| 239 | C | 88.4 | Confident | 82.8 | Confident | 64 Ų | 64 | 77 Ų | 77 | 43% | 0.432 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -0.5 | -177.6 | 71.8 | 0 | 0 | 0 | 0 | 115.2 | K241 H252 H256 | C239-K241 PolarHBondContact O-N 2.93Å; C239-K241 VanDerWaalsContact O-N 3.13Å; C239-K241 WeakPolarHBondContact SG-CB 3.4Å; C239-H252 PolarHBondContact SG-CE1 3.21Å; C239-H252 PolarHBondContact SG-NE2 3.45Å; C239-H256 PolarHBondContact SG-NE2 3.19Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å |
| 240 | G | 84.6 | Confident | 83.7 | Confident | 56 Ų | 56 | 81.5 Ų | 81.5 | 58% | 0.577 | 43% | 0.426 | S | S | * | . | trans | 72.3 | -1.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | C236 G242 | C236-G240 WeakPolarHBondContact O-CA 3.45Å; C236-G240 PolarHBondContact O-N 2.88Å; G240-G242 PolarHBondContact O-N 3.46Å | ||
| 241 | K | 86.3 | Confident | 84.7 | Confident | 123 Ų | 123 | 78.6 Ų | 78.6 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | trans | -64.8 | 123.6 | -178.9 | -166.7 | 169.1 | -175.8 | 173 | 0 | 110.9 | A235 C236 C239 F243 | A235-K241 WeakPolarHBondContact CA-O 3.26Å; C236-K241 PolarHBondContact N-O 3.15Å; C239-K241 PolarHBondContact O-N 2.93Å; C239-K241 VanDerWaalsContact O-N 3.13Å; C239-K241 WeakPolarHBondContact SG-CB 3.4Å; K241-F243 HydrophobicContact CB-CE2 4.07Å; K241-F243 HydrophobicContact CB-CZ 4.24Å; K241-F243 HydrophobicContact CD-CZ 3.92Å; K241-F243 HydrophobicContact CG-CE2 4.1Å; K241-F243 HydrophobicContact CG-CZ 3.88Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.42Å | ||
| 242 | G | 85.8 | Confident | 85.6 | Confident | 14 Ų | 14 | 75 Ų | 75 | 14% | 0.144 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 147.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R232 F234 G240 | R232-G242 WeakPolarHBondContact CD-O 3.08Å; R232-G242 PolarHBondContact NH1-O 2.84Å; F234-G242 CarbonylContact O-C 3.52Å; G240-G242 PolarHBondContact O-N 3.46Å |
| 243 | F | 83.9 | Confident | 86 | Confident | 24 Ų | 24 | 71.8 Ų | 71.8 | 11% | 0.105 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.8 | 176.8 | -60 | -88.1 | 0 | 0 | 0 | 111.8 | R232 F234 K241 D248 L249 H252 | R232-F243 CarbonylContact C-O 3.47Å; F234-F243 HydrophobicContact CB-CB 4.29Å; F234-F243 PolarHBondContact N-O 3.33Å; F234-F243 WeakPolarHBondContact O-CD2 3.45Å; F234-F243 PolarHBondContact O-N 3Å; K241-F243 HydrophobicContact CB-CE2 4.07Å; K241-F243 HydrophobicContact CB-CZ 4.24Å; K241-F243 HydrophobicContact CD-CZ 3.92Å; K241-F243 HydrophobicContact CG-CE2 4.1Å; K241-F243 HydrophobicContact CG-CZ 3.88Å; K241-F243 WeakPolarHBondContact O-CD2 3.37Å; K241-F243 WeakPolarHBondContact O-CE2 3.42Å; F243-D248 HydrophobicContact CB-CB 4.1Å; F243-D248 HydrophobicContact CD1-CB 3.59Å; F243-D248 HydrophobicContact CE1-CB 4.39Å; F243-D248 HydrophobicContact CG-CB 4.1Å; F243-L249 HydrophobicContact CB-CB 4.37Å; F243-L249 HydrophobicContact CD2-CB 3.98Å; F243-L249 HydrophobicContact CD2-CD1 3.87Å; F243-L249 HydrophobicContact CE2-CD1 4.06Å; F243-L249 HydrophobicContact CG-CB 4.32Å; F243-H252 HydrophobicContact CE1-CB 3.99Å; F243-H252 HydrophobicContact CE2-CB 3.86Å; F243-H252 AromaticContact CE2-CD2 3.38Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.36Å; F243-H252 AromaticContact CE2-CG 3.61Å; F243-H252 HydrophobicContact CZ-CB 3.39Å; F243-H252 AromaticContact CZ-CD2 3.53Å; F243-H252 AromaticContact CZ-CG 3.24Å; F243-H252 AromaticContact CZ-ND1 3.75Å |
| 244 | N | 80.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 76.1 Ų | 76.1 | 12% | 0.118 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -84.9 | -25.2 | 179 | -70.1 | -12.9 | 0 | 0 | 0 | 112.5 | R226 R232 | R226-N244 PolarHBondContact O-ND2 2.64Å; R232-N244 WeakPolarHBondContact CG-OD1 3.44Å |
| 245 | H | 83.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 76.2 Ų | 76.2 | 30% | 0.301 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -124.4 | 146.9 | 178.5 | -53.3 | -94.4 | 0 | 0 | 0 | 112.3 | V247 D248 L249 | H245-V247 VanDerWaalsContact C-N 3.25Å; H245-V247 PolarHBondContact O-N 2.95Å; H245-D248 WeakPolarHBondContact CB-OD2 3.2Å; H245-D248 IonicContact CD2-OD2 3.76Å; H245-D248 PolarHBondContact CD2-OD2 3.13Å; H245-D248 IonicContact CG-OD2 3.41Å; H245-D248 PolarHBondContact O-N 2.76Å; H245-L249 PolarHBondContact O-N 3.35Å |
| 246 | K | 86.8 | Confident | 86.1 | Confident | 132 Ų | 132 | 75.6 Ų | 75.6 | 57% | 0.574 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 176.9 | -172.3 | 174.3 | -175.6 | 173.3 | 0 | 112.9 | F234 K250 | F234-K246 HydrophobicContact CD1-CB 4.4Å; F234-K246 HydrophobicContact CE1-CB 4.17Å; F234-K246 HydrophobicContact CE2-CB 4.41Å; F234-K246 HydrophobicContact CZ-CB 4.18Å; K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 3.02Å |
| 247 | V | 87.6 | Confident | 85.5 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 66% | 0.661 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.8 | -42.8 | 178.2 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | H245 L249 K250 L251 | H245-V247 VanDerWaalsContact C-N 3.25Å; H245-V247 PolarHBondContact O-N 2.95Å; V247-L249 PolarHBondContact O-N 3.43Å; V247-K250 WeakPolarHBondContact O-CB 3.48Å; V247-K250 PolarHBondContact O-N 3.44Å; V247-K250 VanDerWaalsContact O-N 3.17Å; V247-L251 PolarHBondContact O-N 2.75Å |
| 248 | D | 88.1 | Confident | 84.8 | Confident | 67 Ų | 67 | 75.6 Ų | 75.6 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.9 | -49.5 | -27.4 | 0 | 0 | 0 | 111.1 | F243 H245 K250 L251 H252 | F243-D248 HydrophobicContact CB-CB 4.1Å; F243-D248 HydrophobicContact CD1-CB 3.59Å; F243-D248 HydrophobicContact CE1-CB 4.39Å; F243-D248 HydrophobicContact CG-CB 4.1Å; H245-D248 WeakPolarHBondContact CB-OD2 3.2Å; H245-D248 IonicContact CD2-OD2 3.76Å; H245-D248 PolarHBondContact CD2-OD2 3.13Å; H245-D248 IonicContact CG-OD2 3.41Å; H245-D248 PolarHBondContact O-N 2.76Å; D248-K250 PolarHBondContact O-N 2.99Å; D248-L251 PolarHBondContact O-N 2.93Å; D248-H252 VanDerWaalsContact O-CB 3.24Å; D248-H252 WeakPolarHBondContact O-CB 3.36Å; D248-H252 PolarHBondContact O-N 3.42Å |
| 249 | L | 89.4 | Confident | 83.7 | Confident | 26 Ų | 26 | 72.4 Ų | 72.4 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 173.9 | 174.7 | 62.1 | 0 | 0 | 0 | 111.7 | F234 C236 F243 H245 V247 H252 N253 | F234-L249 HydrophobicContact CB-CB 4.08Å; F234-L249 HydrophobicContact CB-CD2 3.81Å; C236-L249 HydrophobicContact CB-CD1 3.94Å; F243-L249 HydrophobicContact CB-CB 4.37Å; F243-L249 HydrophobicContact CD2-CB 3.98Å; F243-L249 HydrophobicContact CD2-CD1 3.87Å; F243-L249 HydrophobicContact CE2-CD1 4.06Å; F243-L249 HydrophobicContact CG-CB 4.32Å; H245-L249 PolarHBondContact O-N 3.35Å; V247-L249 PolarHBondContact O-N 3.43Å; L249-H252 PolarHBondContact O-N 2.8Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.44Å; L249-N253 PolarHBondContact O-OD1 3.41Å |
| 250 | K | 89.5 | Confident | 81.9 | Confident | 122 Ų | 122 | 74.7 Ų | 74.7 | 53% | 0.53 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.6 | -48 | 176.5 | -78.7 | -174.3 | 174.5 | -167.2 | 0 | 111.6 | K246 V247 D248 H252 N253 F254 | K246-K250 WeakPolarHBondContact O-CG 3.39Å; K246-K250 PolarHBondContact O-N 3.02Å; V247-K250 WeakPolarHBondContact O-CB 3.48Å; V247-K250 PolarHBondContact O-N 3.44Å; V247-K250 VanDerWaalsContact O-N 3.17Å; D248-K250 PolarHBondContact O-N 2.99Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.19Å; K250-N253 PolarHBondContact O-N 2.84Å; K250-F254 WeakPolarHBondContact O-CD2 3.31Å; K250-F254 PolarHBondContact O-N 3.28Å |
| 251 | L | 88.9 | Confident | 79.8 | Confident | 123 Ų | 123 | 81.4 Ų | 81.4 | 64% | 0.644 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -59.7 | -42.3 | 178.1 | -174.1 | 64.3 | 0 | 0 | 0 | 111.2 | V247 D248 F254 A255 | V247-L251 PolarHBondContact O-N 2.75Å; D248-L251 PolarHBondContact O-N 2.93Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; L251-F254 PolarHBondContact O-N 2.81Å; L251-A255 PolarHBondContact O-N 3.35Å |
| 252 | H | 89.2 | Confident | 79.5 | Confident | 35 Ų | 35 | 79.3 Ų | 79.3 | 16% | 0.162 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | 174.7 | 170.3 | 68.5 | 0 | 0 | 0 | 113 | C236 C239 F243 D248 L249 K250 F254 A255 H256 | C236-H252 VanDerWaalsContact CB-CD2 3.49Å; C236-H252 WeakPolarHBondContact CB-CD2 3.3Å; C236-H252 VanDerWaalsContact CB-NE2 3.27Å; C236-H252 WeakPolarHBondContact CB-NE2 3.5Å; C236-H252 PolarHBondContact SG-NE2 3.43Å; C239-H252 PolarHBondContact SG-CE1 3.21Å; C239-H252 PolarHBondContact SG-NE2 3.45Å; F243-H252 HydrophobicContact CE1-CB 3.99Å; F243-H252 HydrophobicContact CE2-CB 3.86Å; F243-H252 AromaticContact CE2-CD2 3.38Å; F243-H252 WeakPolarHBondContact CE2-CD2 3.36Å; F243-H252 AromaticContact CE2-CG 3.61Å; F243-H252 HydrophobicContact CZ-CB 3.39Å; F243-H252 AromaticContact CZ-CD2 3.53Å; F243-H252 AromaticContact CZ-CG 3.24Å; F243-H252 AromaticContact CZ-ND1 3.75Å; D248-H252 VanDerWaalsContact O-CB 3.24Å; D248-H252 WeakPolarHBondContact O-CB 3.36Å; D248-H252 PolarHBondContact O-N 3.42Å; L249-H252 PolarHBondContact O-N 2.8Å; K250-H252 VanDerWaalsContact C-N 3.28Å; K250-H252 PolarHBondContact O-N 3.19Å; H252-F254 VanDerWaalsContact C-N 3.28Å; H252-F254 PolarHBondContact O-N 3.14Å; H252-A255 WeakPolarHBondContact O-CA 3.26Å; H252-A255 VanDerWaalsContact O-CB 3.3Å; H252-A255 WeakPolarHBondContact O-CB 3.38Å; H252-A255 PolarHBondContact O-N 3.5Å; H252-H256 AromaticContact CE1-CD2 3.77Å; H252-H256 AromaticContact CE1-NE2 3.3Å; H252-H256 PolarHBondContact CE1-NE2 2.91Å; H252-H256 VanDerWaalsContact CE1-NE2 3.3Å; H252-H256 AromaticContact NE2-CD2 3.49Å; H252-H256 PolarHBondContact NE2-CD2 2.99Å; H252-H256 AromaticContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact NE2-NE2 2.73Å; H252-H256 VanDerWaalsContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact O-N 2.99Å |
| 253 | N | 87.3 | Confident | 79.1 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.342 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.1 | -32.1 | 175.1 | -71.3 | -9 | 0 | 0 | 0 | 112.1 | C236 L249 K250 A255 H256 A257 | C236-N253 PolarHBondContact SG-OD1 3.4Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 3.44Å; L249-N253 PolarHBondContact O-OD1 3.41Å; K250-N253 PolarHBondContact O-N 2.84Å; N253-A255 VanDerWaalsContact C-N 3.28Å; N253-A255 PolarHBondContact O-N 2.81Å; N253-H256 WeakPolarHBondContact O-CB 3.43Å; N253-H256 PolarHBondContact O-N 3.22Å; N253-A257 PolarHBondContact O-N 2.84Å |
| 254 | F | 86.9 | Confident | 78.9 | Confident | 146 Ų | 146 | 86 Ų | 86 | 64% | 0.64 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -35.3 | 170.4 | -74.3 | -66.5 | 0 | 0 | 0 | 112 | K250 L251 H252 H256 A257 A258 | K250-F254 WeakPolarHBondContact O-CD2 3.31Å; K250-F254 PolarHBondContact O-N 3.28Å; L251-F254 WeakPolarHBondContact O-CB 3.36Å; L251-F254 PolarHBondContact O-N 2.81Å; H252-F254 VanDerWaalsContact C-N 3.28Å; H252-F254 PolarHBondContact O-N 3.14Å; F254-H256 VanDerWaalsContact C-N 3.33Å; F254-H256 PolarHBondContact O-N 2.87Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.4Å |
| 255 | A | 83.3 | Confident | 78.8 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L251 H252 N253 A258 S259 | L251-A255 PolarHBondContact O-N 3.35Å; H252-A255 WeakPolarHBondContact O-CA 3.26Å; H252-A255 VanDerWaalsContact O-CB 3.3Å; H252-A255 WeakPolarHBondContact O-CB 3.38Å; H252-A255 PolarHBondContact O-N 3.5Å; N253-A255 VanDerWaalsContact C-N 3.28Å; N253-A255 PolarHBondContact O-N 2.81Å; A255-A258 PolarHBondContact O-N 3.32Å; A255-S259 PolarHBondContact O-N 3.46Å; A255-S259 PolarHBondContact O-OG 3.18Å |
| 256 | H | 80.8 | Confident | 78.5 | Confident | 44 Ų | 44 | 91.3 Ų | 91.3 | 20% | 0.204 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 170.9 | -79.8 | -59.1 | 0 | 0 | 0 | 112.7 | C236 C239 H252 N253 F254 A258 S259 | C236-H256 PolarHBondContact SG-CD2 2.97Å; C236-H256 PolarHBondContact SG-NE2 3.43Å; C236-H256 VanDerWaalsContact SG-NE2 3.42Å; C239-H256 PolarHBondContact SG-NE2 3.19Å; C239-H256 VanDerWaalsContact SG-NE2 3.37Å; H252-H256 AromaticContact CE1-CD2 3.77Å; H252-H256 AromaticContact CE1-NE2 3.3Å; H252-H256 PolarHBondContact CE1-NE2 2.91Å; H252-H256 VanDerWaalsContact CE1-NE2 3.3Å; H252-H256 AromaticContact NE2-CD2 3.49Å; H252-H256 PolarHBondContact NE2-CD2 2.99Å; H252-H256 AromaticContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact NE2-NE2 2.73Å; H252-H256 VanDerWaalsContact NE2-NE2 3.11Å; H252-H256 PolarHBondContact O-N 2.99Å; N253-H256 WeakPolarHBondContact O-CB 3.43Å; N253-H256 PolarHBondContact O-N 3.22Å; F254-H256 VanDerWaalsContact C-N 3.33Å; F254-H256 PolarHBondContact O-N 2.87Å; H256-A258 VanDerWaalsContact C-N 3.27Å; H256-A258 PolarHBondContact O-N 3Å; H256-S259 WeakPolarHBondContact CA-OG 3.1Å; H256-S259 PolarHBondContact O-N 3.05Å; H256-S259 PolarHBondContact O-OG 2.85Å |
| 257 | A | 75.8 | Confident | 77.9 | Confident | 70 Ų | 70 | 88.6 Ų | 88.6 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66 | -32.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N253 F254 | N253-A257 PolarHBondContact O-N 2.84Å; F254-A257 PolarHBondContact O-N 3.31Å |
| 258 | A | 70.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 87.1 Ų | 87.1 | 63% | 0.628 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -78.3 | -18.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F254 A255 H256 | F254-A258 WeakPolarHBondContact O-CB 3.18Å; F254-A258 PolarHBondContact O-N 3.4Å; A255-A258 PolarHBondContact O-N 3.32Å; H256-A258 VanDerWaalsContact C-N 3.27Å; H256-A258 PolarHBondContact O-N 3Å |
| 259 | S | 60.4 | Low | 76.4 | Confident | 81 Ų | 81 | 88.7 Ų | 88.7 | 57% | 0.566 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 6.6 | 177.7 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | A255 H256 | A255-S259 PolarHBondContact O-N 3.46Å; A255-S259 PolarHBondContact O-OG 3.18Å; H256-S259 WeakPolarHBondContact CA-OG 3.1Å; H256-S259 PolarHBondContact O-N 3.05Å; H256-S259 PolarHBondContact O-OG 2.85Å |
| 260 | C | 50.9 | Low | 75.3 | Confident | 113 Ų | 113 | 93.9 Ų | 93.9 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | trans | -111.1 | 32.1 | 178.6 | -76.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 261 | V | 40.7 | Very low | 74 | Confident | 196 Ų | 196 | 91.4 Ų | 91.4 | 100% | 1.188 | 56% | 0.563 | S | S | * | * | trans | -118 | 0 | 165.2 | -176.1 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 261 of 261 residues in 42.4 ms
(Link to these results)