| 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 | 40.7 | Very low | 30.4 | Very low | 242 Ų | 242 | 165.7 Ų | 165.7 | 100% | 1.192 | 85% | 0.85 | S | S | * | * | 0 | 103.4 | 0 | -74.7 | 167.7 | 165.6 | 0 | 0 | 107.7 | |||||
| 2 | K | 34 | Very low | 30.6 | Very low | 197 Ų | 197 | 160.9 Ų | 160.9 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -125.9 | 104.2 | -179 | -78.9 | -177.4 | 174.8 | -179.2 | 0 | 107.2 | N4 | K2-N4 PolarHBondContact O-N 3.37Š| ||
| 3 | H | 35.5 | Very low | 30.6 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 89% | 0.894 | 84% | 0.838 | S | S | * | * | trans | -75.1 | 110.2 | 167.6 | -85.8 | -87.4 | 0 | 0 | 0 | 107.8 | ||||
| 4 | N | 25.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 160.9 Ų | 160.9 | 77% | 0.765 | 84% | 0.843 | S | S | * | * | trans | -97.8 | 122.3 | 163.9 | -72.6 | -18.1 | 0 | 0 | 0 | 107.2 | K2 | K2-N4 PolarHBondContact O-N 3.37Š| ||
| 5 | S | 34.4 | Very low | 30.9 | Very low | 117 Ų | 117 | 154.7 Ų | 154.7 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -153.4 | 115 | 147.8 | 45.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | I | 28.9 | Very low | 31.2 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 85% | 0.846 | 84% | 0.839 | S | S | * | * | trans | -81.5 | 139.7 | -172.1 | -70.8 | 164 | 0 | 0 | 0 | 109.2 | ||||
| 7 | S | 26.2 | Very low | 31.4 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 84% | 0.836 | S | S | * | * | trans | -93.9 | 162.6 | 169.9 | -28.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 8 | R | 25.2 | Very low | 31.8 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | trans | 79.9 | 139 | 172.6 | -65.9 | 179.9 | 166.6 | 132.4 | -2.6 | 113.8 | ||||
| 9 | I | 29.7 | Very low | 32.1 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | -157.9 | 134.9 | 67.8 | -74.9 | 150.5 | 0 | 0 | 0 | 109.8 | |||||
| 10 | E | 26.2 | Very low | 32.5 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -83.4 | 153.9 | 155.5 | -75.6 | -177.3 | 161.2 | 0 | 0 | 109.8 | ||||
| 11 | A | 27.4 | Very low | 32.6 | Very low | 83 Ų | 83 | 155.1 Ų | 155.1 | 69% | 0.686 | 84% | 0.835 | S | S | * | * | trans | 109 | 128.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 12 | S | 32.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | 73.8 | 127 | 130.8 | 58 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 13 | D | 30.5 | Very low | 33 | Very low | 148 Ų | 148 | 151 Ų | 151 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -7.4 | 117.4 | 146 | -67.1 | -39.7 | 0 | 0 | 0 | 115.9 | ||||
| 14 | L | 35.4 | Very low | 33.3 | Very low | 173 Ų | 173 | 148.8 Ų | 148.8 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | 169.9 | 117.4 | 115.9 | -106.9 | 101.4 | 0 | 0 | 0 | 109.8 | |||||
| 15 | G | 31.5 | Very low | 34 | Very low | 69 Ų | 69 | 144.9 Ų | 144.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | trans | 52 | 106.3 | 140.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 16 | V | 34.7 | Very low | 34.5 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 92% | 0.915 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 113.2 | 132.6 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 17 | T | 35.6 | Very low | 35.6 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 75% | 0.749 | S | S | * | * | trans | -73.4 | 132.5 | -177.5 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 18 | S | 38 | Very low | 36.8 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | -123.3 | 100.5 | 139.5 | 65.1 | 0 | 0 | 0 | 0 | 108 | K20 | S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact O-N 2.87Å | ||
| 19 | S | 37.1 | Very low | 38.2 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | trans | -73.7 | 84 | -178 | -158.3 | 0 | 0 | 0 | 0 | 109.4 | R21 | S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | K | 40.9 | Very low | 39.2 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 82% | 0.817 | 71% | 0.712 | S | S | * | * | trans | -71.1 | 104.2 | 163.8 | -77.7 | -173.4 | -179.5 | 178.5 | 0 | 107.3 | S18 K22 | S18-K20 VanDerWaalsContact C-N 3.32Å; S18-K20 PolarHBondContact O-N 2.87Å; K20-K22 VanDerWaalsContact C-N 3.31Å; K20-K22 PolarHBondContact O-N 3.18Å | ||
| 21 | R | 34.8 | Very low | 40.4 | Very low | 244 Ų | 244 | 123.7 Ų | 123.7 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -59.6 | 90.1 | 173.4 | -165.4 | 175.9 | -178.7 | -177.1 | 0.2 | 108.9 | S19 F23 | S19-R21 PolarHBondContact O-N 2.86Å; S19-R21 VanDerWaalsContact O-N 3.15Å; R21-F23 PolarHBondContact O-N 2.86Å | ||
| 22 | K | 45.1 | Very low | 41.8 | Very low | 174 Ų | 174 | 124.6 Ų | 124.6 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | trans | -69.9 | 117.2 | 173 | -83 | -172.8 | 174 | -172.6 | 0 | 108.4 | K20 I24 | K20-K22 VanDerWaalsContact C-N 3.31Å; K20-K22 PolarHBondContact O-N 3.18Å; K22-I24 PolarHBondContact O-N 2.85Å | ||
| 23 | F | 36.4 | Very low | 42.7 | Very low | 177 Ų | 177 | 127 Ų | 127 | 78% | 0.776 | 68% | 0.679 | S | S | * | * | trans | -72.3 | 117 | 166.9 | 179 | -99.1 | 0 | 0 | 0 | 107.9 | R21 P25 | R21-F23 PolarHBondContact O-N 2.86Å; F23-P25 HydrophobicContact CD1-CB 4.42Å; F23-P25 HydrophobicContact CD1-CG 4.22Å; F23-P25 HydrophobicContact CE1-CB 3.79Å; F23-P25 HydrophobicContact CE1-CG 4.02Å; F23-P25 VanDerWaalsContact O-CD 3.31Å; F23-P25 WeakPolarHBondContact O-CD 3.45Å | ||
| 24 | I | 41.8 | Very low | 43.7 | Very low | 147 Ų | 147 | 124 Ų | 124 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | -103.3 | 100.9 | 175 | -55.2 | 176.6 | 0 | 0 | 0 | 106.9 | K22 N26 | K22-I24 PolarHBondContact O-N 2.85Å; I24-N26 PolarHBondContact O-N 3.15Å | ||
| 25 | P | 40.5 | Very low | 44.4 | Very low | 62 Ų | 62 | 123.5 Ų | 123.5 | 40% | 0.403 | 66% | 0.656 | S | S | . | * | trans | -66.7 | 126.1 | 171 | 18.2 | -17.9 | 0 | 0 | 0 | 109.3 | F23 I27 | F23-P25 HydrophobicContact CD1-CB 4.42Å; F23-P25 HydrophobicContact CD1-CG 4.22Å; F23-P25 HydrophobicContact CE1-CB 3.79Å; F23-P25 HydrophobicContact CE1-CG 4.02Å; F23-P25 VanDerWaalsContact O-CD 3.31Å; F23-P25 WeakPolarHBondContact O-CD 3.45Å; P25-I27 VanDerWaalsContact C-N 3.31Å; P25-I27 WeakPolarHBondContact O-CG1 3.46Å; P25-I27 PolarHBondContact O-N 2.94Å | ||
| 26 | N | 44.9 | Very low | 45.3 | Very low | 82 Ų | 82 | 128.1 Ų | 128.1 | 44% | 0.439 | 66% | 0.659 | S | S | . | * | trans | -75 | 85.2 | 174.5 | -171.4 | -36.9 | 0 | 0 | 0 | 109.4 | I24 S28 K29 A30 | I24-N26 PolarHBondContact O-N 3.15Å; N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.85Å; N26-S28 PolarHBondContact OD1-OG 3.46Å; N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 PolarHBondContact O-N 3.41Å; N26-K29 WeakPolarHBondContact OD1-CG 3.43Å; N26-K29 PolarHBondContact OD1-N 3.34Å; N26-A30 PolarHBondContact O-N 3.39Å | ||
| 27 | I | 52.2 | Low | 46.1 | Very low | 85 Ų | 85 | 127.6 Ų | 127.6 | 44% | 0.436 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.7 | -33.8 | -175.9 | -30.7 | 176.7 | 0 | 0 | 0 | 111.3 | P25 K29 A30 L31 | P25-I27 VanDerWaalsContact C-N 3.31Å; P25-I27 WeakPolarHBondContact O-CG1 3.46Å; P25-I27 PolarHBondContact O-N 2.94Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.23Å; I27-A30 PolarHBondContact O-N 3.38Å; I27-A30 VanDerWaalsContact O-N 3.09Å; I27-L31 HydrophobicContact CG2-CD1 4.27Å; I27-L31 PolarHBondContact O-N 3.07Å; I27-L31 VanDerWaalsContact O-N 3.09Å |
| 28 | S | 51.9 | Low | 46.8 | Very low | 76 Ų | 76 | 128.6 Ų | 128.6 | 53% | 0.531 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -66 | -31.1 | 178.6 | 47.4 | 0 | 0 | 0 | 0 | 112.8 | N26 N32 | N26-S28 VanDerWaalsContact C-N 3.26Å; N26-S28 PolarHBondContact O-N 2.85Å; N26-S28 PolarHBondContact OD1-OG 3.46Å; S28-N32 WeakPolarHBondContact O-CB 3.48Å; S28-N32 PolarHBondContact O-N 3.39Å; S28-N32 PolarHBondContact O-ND2 2.86Å |
| 29 | K | 55 | Low | 47 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.2 | -26 | 170.8 | -73.8 | -173.7 | -177.1 | -174.7 | 0 | 113.8 | N26 I27 K33 | N26-K29 HydrophobicContact CB-CB 4.45Å; N26-K29 PolarHBondContact O-N 3.41Å; N26-K29 WeakPolarHBondContact OD1-CG 3.43Å; N26-K29 PolarHBondContact OD1-N 3.34Å; I27-K29 VanDerWaalsContact C-N 3.31Å; I27-K29 PolarHBondContact O-N 3.23Å; K29-K33 WeakPolarHBondContact O-CG 3.31Å |
| 30 | A | 51.3 | Low | 47.2 | Very low | 59 Ų | 59 | 128 Ų | 128 | 49% | 0.488 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -73.9 | -42.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N26 I27 | N26-A30 PolarHBondContact O-N 3.39Å; I27-A30 PolarHBondContact O-N 3.38Å; I27-A30 VanDerWaalsContact O-N 3.09Å |
| 31 | L | 51.4 | Low | 47.1 | Very low | 75 Ų | 75 | 126.5 Ų | 126.5 | 39% | 0.393 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -73.5 | -30.5 | -178.9 | -65.7 | 170.9 | 0 | 0 | 0 | 113.5 | I27 | I27-L31 HydrophobicContact CG2-CD1 4.27Å; I27-L31 PolarHBondContact O-N 3.07Å; I27-L31 VanDerWaalsContact O-N 3.09Å |
| 32 | N | 55 | Low | 47.3 | Very low | 102 Ų | 102 | 127 Ų | 127 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -78.9 | -16.4 | -177.5 | -79 | -21.7 | 0 | 0 | 0 | 114.9 | S28 S34 R35 | S28-N32 WeakPolarHBondContact O-CB 3.48Å; S28-N32 PolarHBondContact O-N 3.39Å; S28-N32 PolarHBondContact O-ND2 2.86Å; N32-S34 VanDerWaalsContact C-N 3.27Å; N32-S34 PolarHBondContact O-N 3.42Å; N32-R35 PolarHBondContact O-N 3.09Å |
| 33 | K | 52.5 | Low | 46.8 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -20 | 179.5 | -75.1 | 179.6 | -179.2 | -173.1 | 0 | 113.8 | K29 | K29-K33 WeakPolarHBondContact O-CG 3.31Š|
| 34 | S | 52 | Low | 47 | Very low | 84 Ų | 84 | 121 Ų | 121 | 59% | 0.587 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -34.4 | 176.8 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | N32 Q36 | N32-S34 VanDerWaalsContact C-N 3.27Å; N32-S34 PolarHBondContact O-N 3.42Å; S34-Q36 VanDerWaalsContact C-N 3.26Å; S34-Q36 PolarHBondContact O-N 3.12Å; S34-Q36 VanDerWaalsContact O-N 3.15Å |
| 35 | R | 50.4 | Low | 46.7 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -8.1 | -174.6 | -73.3 | -170 | 170.8 | -160.8 | -3.1 | 115.8 | N32 | N32-R35 PolarHBondContact O-N 3.09Š|
| 36 | Q | 50.6 | Low | 46.7 | Very low | 166 Ų | 166 | 131.7 Ų | 131.7 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -3.4 | -176.9 | -102.6 | 179.8 | -21.6 | 0 | 0 | 114.9 | S34 | S34-Q36 VanDerWaalsContact C-N 3.26Å; S34-Q36 PolarHBondContact O-N 3.12Å; S34-Q36 VanDerWaalsContact O-N 3.15Å |
| 37 | N | 50.6 | Low | 46.4 | Very low | 140 Ų | 140 | 135.1 Ų | 135.1 | 75% | 0.749 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -102.7 | -2 | -174.5 | -85.8 | -9 | 0 | 0 | 0 | 116.1 | ||
| 38 | D | 49.7 | Very low | 46.1 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -99.3 | 7.9 | -175.9 | -75.1 | -32.8 | 0 | 0 | 0 | 115.4 | ||
| 39 | T | 43.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -136.7 | 60.6 | 178.7 | 46.3 | 0 | 0 | 0 | 0 | 113 | ||
| 40 | A | 40.2 | Very low | 44.9 | Very low | 79 Ų | 79 | 142 Ų | 142 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | -143.1 | 127.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 41 | N | 38.9 | Very low | 44.5 | Very low | 157 Ų | 157 | 145.9 Ų | 145.9 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | 94 | 76.6 | 162.2 | -52.4 | -26.6 | 0 | 0 | 0 | 117.9 | ||||
| 42 | R | 38.7 | Very low | 44 | Very low | 255 Ų | 255 | 153.3 Ų | 153.3 | 96% | 0.962 | 78% | 0.777 | S | S | * | * | trans | -77.4 | 122.4 | 136.3 | -73.6 | -171.3 | -170.3 | -157.8 | 3.2 | 108.7 | ||||
| 43 | C | 34.4 | Very low | 43.5 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | trans | -52.4 | 178.3 | 166.5 | -76.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 44 | P | 41.3 | Very low | 42.8 | Very low | 107 Ų | 107 | 154.1 Ų | 154.1 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -144.6 | 168.1 | 11.4 | 18.3 | 10 | 0 | 0 | 0 | 119 | ||||
| 45 | R | 35 | Very low | 42.5 | Very low | 237 Ų | 237 | 154.5 Ų | 154.5 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | trans | 64.5 | 117.3 | 141.7 | -71.2 | 172.4 | -171.5 | 172.3 | 2.5 | 121.4 | ||||
| 46 | Q | 40.5 | Very low | 41.9 | Very low | 197 Ų | 197 | 158.3 Ų | 158.3 | 92% | 0.921 | 80% | 0.803 | S | S | * | * | -158.1 | 148.6 | 126.8 | -113.3 | 177.8 | 4.3 | 0 | 0 | 112.3 | |||||
| 47 | D | 39.2 | Very low | 41.3 | Very low | 153 Ų | 153 | 155.6 Ų | 155.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 164.7 | -162.4 | -69.6 | -68.6 | 0 | 0 | 0 | 117.9 | ||||
| 48 | V | 45.2 | Very low | 40.7 | Very low | 134 Ų | 134 | 156 Ų | 156 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | 135.1 | 118.9 | 134.2 | -177.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 49 | P | 38.7 | Very low | 40 | Very low | 111 Ų | 111 | 158.9 Ų | 158.9 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -113.9 | 149.8 | 172.2 | 37.8 | -26.8 | 0 | 0 | 0 | 114.2 | ||||
| 50 | K | 44.1 | Very low | 39.7 | Very low | 203 Ų | 203 | 158.1 Ų | 158.1 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | 168.4 | 131.3 | 156.7 | -94.3 | 160.5 | -173.1 | -176.2 | 0 | 106 | ||||
| 51 | T | 41.8 | Very low | 39.6 | Very low | 140 Ų | 140 | 162.4 Ų | 162.4 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | cis | -170.4 | 150.7 | 43 | -25.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 52 | R | 42.6 | Very low | 39.6 | Very low | 232 Ų | 232 | 163.4 Ų | 163.4 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | trans | -88.2 | -173.7 | -179.5 | -144.5 | -168.6 | 168.5 | 175.8 | -1.3 | 111.2 | ||||
| 53 | P | 44.4 | Very low | 39.5 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | cis | -122.7 | 162.9 | -49 | 14.7 | 8.8 | 0 | 0 | 0 | 115.4 | ||||
| 54 | E | 36.2 | Very low | 39.5 | Very low | 178 Ų | 178 | 160 Ų | 160 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | 17.2 | 174.7 | 134.1 | -90.2 | -145.3 | 148.9 | 0 | 0 | 124.4 | ||||
| 55 | P | 46.6 | Very low | 39.4 | Very low | 93 Ų | 93 | 160.9 Ų | 160.9 | 60% | 0.604 | 81% | 0.807 | S | S | * | * | cis | -141.8 | 174.8 | -33.9 | 35.7 | -17.2 | 0 | 0 | 0 | 114.3 | ||||
| 56 | R | 38.3 | Very low | 39.5 | Very low | 243 Ų | 243 | 158 Ų | 158 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | 179.2 | 114.3 | 136.4 | -101.8 | 169.2 | -175.9 | 168.2 | 2.7 | 114.4 | ||||
| 57 | S | 36.7 | Very low | 39.4 | Very low | 110 Ų | 110 | 160 Ų | 160 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | 38.5 | 117.3 | 135.9 | -164.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 58 | T | 38.8 | Very low | 39.3 | Very low | 148 Ų | 148 | 157.6 Ų | 157.6 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | -151.2 | 138.4 | 125.6 | 32.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 59 | R | 35.2 | Very low | 38.6 | Very low | 210 Ų | 210 | 154.3 Ų | 154.3 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 131.6 | -174.3 | -129.4 | 175.3 | -177.3 | -167.3 | 0.6 | 111.3 | Y61 | R59-Y61 HydrophobicContact CG-CE2 4.49Š| ||
| 60 | S | 37.6 | Very low | 38.6 | Very low | 117 Ų | 117 | 153.6 Ų | 153.6 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | -148.9 | 111 | 161.1 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 61 | Y | 36.6 | Very low | 38.3 | Very low | 169 Ų | 169 | 153.2 Ų | 153.2 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 132.2 | 172.3 | -71.7 | -101.6 | 0 | 0 | 0 | 110 | R59 | R59-Y61 HydrophobicContact CG-CE2 4.49Š| ||
| 62 | Q | 40 | Very low | 38.2 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | 170 | 118.8 | 124.1 | -93 | 171.7 | -1.5 | 0 | 0 | 112 | |||||
| 63 | N | 36.8 | Very low | 38.7 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 81% | 0.807 | 77% | 0.768 | S | S | * | * | trans | 67 | 84 | 152.8 | -61.4 | -13.7 | 0 | 0 | 0 | 118.3 | T65 | N63-T65 PolarHBondContact O-N 3.38Š| ||
| 64 | D | 33 | Very low | 39.5 | Very low | 149 Ų | 149 | 149.6 Ų | 149.6 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | trans | -49.7 | 118.9 | 144.1 | -76.8 | -54.4 | 0 | 0 | 0 | 111.5 | ||||
| 65 | T | 39.9 | Very low | 40.7 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | trans | -141.4 | 82.5 | 133.7 | -41.9 | 0 | 0 | 0 | 0 | 105.8 | N63 R67 | N63-T65 PolarHBondContact O-N 3.38Å; T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.26Å | ||
| 66 | Q | 37.1 | Very low | 41.6 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | trans | -54.7 | 101.9 | 160.6 | -82 | -169.1 | -8.2 | 0 | 0 | 107.4 | S68 | Q66-S68 PolarHBondContact O-N 3.27Š| ||
| 67 | R | 38.4 | Very low | 42.9 | Very low | 239 Ų | 239 | 137.5 Ų | 137.5 | 90% | 0.902 | 72% | 0.721 | S | S | * | * | trans | -66.2 | 89.9 | 157.8 | -77.4 | -174.1 | 179.8 | -136.9 | 0.2 | 106.1 | T65 G69 | T65-R67 VanDerWaalsContact C-N 3.3Å; T65-R67 PolarHBondContact O-N 3.26Å; R67-G69 PolarHBondContact O-N 3.09Å | ||
| 68 | S | 37.7 | Very low | 44.3 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 72% | 0.72 | 70% | 0.704 | S | S | * | * | trans | -42.6 | 121.2 | 158.6 | 165.3 | 0 | 0 | 0 | 0 | 107.7 | Q66 C70 | Q66-S68 PolarHBondContact O-N 3.27Å; S68-C70 VanDerWaalsContact C-N 3.33Å; S68-C70 PolarHBondContact O-N 3.15Å | ||
| 69 | G | 31.2 | Very low | 45.5 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | trans | -58.2 | 99.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | R67 Q71 | R67-G69 PolarHBondContact O-N 3.09Å; G69-Q71 PolarHBondContact O-N 2.82Å | ||
| 70 | C | 38.2 | Very low | 46.5 | Very low | 97 Ų | 97 | 124 Ų | 124 | 66% | 0.655 | 65% | 0.654 | S | S | * | * | trans | -73.2 | 83.4 | 172.6 | -154.3 | 0 | 0 | 0 | 0 | 106.6 | S68 S72 | S68-C70 VanDerWaalsContact C-N 3.33Å; S68-C70 PolarHBondContact O-N 3.15Å; C70-S72 PolarHBondContact O-N 3.32Å | ||
| 71 | Q | 36.5 | Very low | 47.4 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 91% | 0.907 | 63% | 0.625 | S | S | * | * | trans | -68.2 | 68.5 | 158.1 | -67.2 | -162.6 | 9.5 | 0 | 0 | 107.5 | G69 | G69-Q71 PolarHBondContact O-N 2.82Š| ||
| 72 | S | 40.4 | Very low | 48.3 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 41% | 0.413 | 61% | 0.612 | S | S | . | * | trans | -84.1 | 118.2 | 163.6 | -170.3 | 0 | 0 | 0 | 0 | 106 | C70 R74 | C70-S72 PolarHBondContact O-N 3.32Å; S72-R74 PolarHBondContact O-N 3.4Å; S72-R74 VanDerWaalsContact O-N 3.12Å | ||
| 73 | T | 53.3 | Low | 48.9 | Very low | 144 Ų | 144 | 108 Ų | 108 | 88% | 0.883 | 58% | 0.577 | S | S | * | * | trans | -68.2 | 1.3 | 172.3 | 49.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 74 | R | 60.4 | Low | 49.7 | Very low | 192 Ų | 192 | 104.4 Ų | 104.4 | 73% | 0.725 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -98.5 | 139.3 | -178.2 | -69.4 | -173.2 | 174.7 | -175.5 | -3.2 | 111.5 | S72 | S72-R74 PolarHBondContact O-N 3.4Å; S72-R74 VanDerWaalsContact O-N 3.12Å |
| 75 | P | 61.5 | Low | 50.1 | Low | 56 Ų | 56 | 105 Ų | 105 | 36% | 0.364 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -54.3 | 137.9 | 174.7 | -26.1 | 35.5 | 0 | 0 | 0 | 112.4 | L217 D218 N219 | P75-L217 HydrophobicContact CB-CB 4.21Å; P75-L217 HydrophobicContact CB-CD1 4.01Å; P75-D218 WeakPolarHBondContact CA-OD1 3.3Å; P75-N219 HydrophobicContact CB-CB 4.3Å; P75-N219 WeakPolarHBondContact CB-ND2 3.35Å; P75-N219 HydrophobicContact CG-CB 4.37Å; P75-N219 WeakPolarHBondContact CG-ND2 3.3Å |
| 76 | Q | 65.6 | Low | 50.1 | Low | 103 Ų | 103 | 105.7 Ų | 105.7 | 48% | 0.481 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -101.1 | 145.4 | 179.9 | -59.5 | -171.7 | 2.1 | 0 | 0 | 111.4 | V78 L217 D218 | Q76-V78 PolarHBondContact O-N 2.98Å; Q76-L217 WeakPolarHBondContact O-CA 2.96Å; Q76-D218 WeakPolarHBondContact CB-OD2 3.09Å; Q76-D218 PolarHBondContact N-OD1 3.07Å; Q76-D218 PolarHBondContact N-OD2 3.03Å; Q76-D218 PolarHBondContact O-N 3.21Å |
| 77 | F | 66.9 | Low | 49.9 | Very low | 101 Ų | 101 | 98.6 Ų | 98.6 | 44% | 0.443 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 126.5 | 174.7 | 172.3 | -101.8 | 0 | 0 | 0 | 111.1 | H79 Q215 L217 | F77-H79 WeakPolarHBondContact CE2-O 3.36Å; F77-Q215 HydrophobicContact CD2-CB 3.97Å; F77-Q215 HydrophobicContact CD2-CG 4.05Å; F77-Q215 HydrophobicContact CE2-CB 3.96Å; F77-Q215 HydrophobicContact CE2-CG 3.82Å; F77-L217 HydrophobicContact CB-CD2 4.48Å |
| 78 | V | 64.9 | Low | 49.7 | Very low | 68 Ų | 68 | 92.2 Ų | 92.2 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -49.5 | 176 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | Q76 L216 D218 | Q76-V78 PolarHBondContact O-N 2.98Å; V78-L216 WeakPolarHBondContact CB-O 3.19Å; V78-L216 PolarHBondContact N-O 2.97Å; V78-D218 HydrophobicContact CG2-CB 3.52Å; V78-D218 VanDerWaalsContact CG2-N 3.28Å |
| 79 | H | 64.1 | Low | 49.4 | Very low | 71 Ų | 71 | 90.2 Ų | 90.2 | 33% | 0.329 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.1 | -172.5 | -166.3 | 63.7 | 0 | 0 | 0 | 112 | F77 Y81 Q215 L216 | F77-H79 WeakPolarHBondContact CE2-O 3.36Å; H79-Y81 AromaticContact CD2-CE2 3.52Å; H79-Y81 AromaticContact CD2-CZ 3.48Å; H79-Y81 VanDerWaalsContact CD2-CZ 3.48Å; H79-Y81 AromaticContact NE2-CE1 3.73Å; H79-Y81 AromaticContact NE2-CZ 3.65Å; H79-Q215 CarbonylContact O-C 3.39Å; H79-Q215 WeakPolarHBondContact O-CA 3.19Å; H79-L216 PolarHBondContact N-O 3.12Å; H79-L216 PolarHBondContact O-N 3.35Å |
| 80 | S | 55.5 | Low | 49.4 | Very low | 45 Ų | 45 | 89.4 Ų | 89.4 | 32% | 0.315 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 141.1 | 173.1 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | I214 | S80-I214 CarbonylContact C-O 3.38Å; S80-I214 WeakPolarHBondContact CA-O 3.42Å; S80-I214 WeakPolarHBondContact CB-O 3.44Å |
| 81 | Y | 57.5 | Low | 49.1 | Very low | 52 Ų | 52 | 91.1 Ų | 91.1 | 20% | 0.204 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 127.4 | 165.4 | -61.1 | -85.2 | 0 | 0 | 0 | 108.9 | H79 I83 F180 I214 L216 | H79-Y81 AromaticContact CD2-CE2 3.52Å; H79-Y81 AromaticContact CD2-CZ 3.48Å; H79-Y81 VanDerWaalsContact CD2-CZ 3.48Å; H79-Y81 AromaticContact NE2-CE1 3.73Å; H79-Y81 AromaticContact NE2-CZ 3.65Å; Y81-I83 PolarHBondContact O-N 2.93Å; Y81-F180 HydrophobicContact CD1-CB 4.17Å; Y81-F180 HydrophobicContact CD2-CB 3.62Å; Y81-F180 HydrophobicContact CD2-CD1 4.11Å; Y81-F180 HydrophobicContact CD2-CD2 4.01Å; Y81-F180 AromaticContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CE1-CB 3.86Å; Y81-F180 WeakPolarHBondContact CE1-O 3.13Å; Y81-F180 HydrophobicContact CE2-CB 3.25Å; Y81-F180 AromaticContact CE2-CD2 3.97Å; Y81-F180 HydrophobicContact CE2-CD2 3.97Å; Y81-F180 AromaticContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CG-CB 4.06Å; Y81-F180 HydrophobicContact CG-CD1 4.31Å; Y81-F180 HydrophobicContact CG-CG 4.23Å; Y81-F180 PolarHBondContact OH-O 2.82Å; Y81-I214 PolarHBondContact N-O 3.19Å; Y81-I214 PolarHBondContact O-N 3.4Å; Y81-L216 HydrophobicContact CD2-CD1 3.54Å; Y81-L216 HydrophobicContact CE2-CD1 3.51Å; Y81-L216 HydrophobicContact CE2-CD2 4.01Å; Y81-L216 HydrophobicContact CE2-CG 4.46Å |
| 82 | S | 56 | Low | 49 | Very low | 56 Ų | 56 | 85.9 Ų | 85.9 | 39% | 0.392 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 115.6 | 169.4 | -156.1 | 0 | 0 | 0 | 0 | 107 | L210 | S82-L210 WeakPolarHBondContact OG-CD1 3.09Å |
| 83 | I | 52.9 | Low | 48.6 | Very low | 20 Ų | 20 | 92.5 Ų | 92.5 | 10% | 0.103 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 139 | 170 | 48.5 | 174 | 0 | 0 | 0 | 106.8 | Y81 L210 F211 G212 I214 L224 | Y81-I83 PolarHBondContact O-N 2.93Å; I83-L210 WeakPolarHBondContact O-CD1 3.16Å; I83-F211 HydrophobicContact CD1-CD2 4.48Å; I83-F211 HydrophobicContact CD1-CE2 3.78Å; I83-F211 HydrophobicContact CD1-CZ 3.84Å; I83-G212 VanDerWaalsContact CG1-O 3.3Å; I83-G212 WeakPolarHBondContact CG1-O 3.43Å; I83-I214 HydrophobicContact CG2-CD1 3.6Å; I83-I214 HydrophobicContact CG2-CG1 3.85Å; I83-L224 HydrophobicContact CD1-CD1 3.72Å |
| 84 | F | 52.2 | Low | 47.7 | Very low | 77 Ų | 77 | 90.4 Ų | 90.4 | 34% | 0.338 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | 23.1 | -179.3 | -46.1 | -68.1 | 0 | 0 | 0 | 120.8 | G209 F211 | F84-G209 WeakPolarHBondContact CB-O 3.48Å; F84-G209 WeakPolarHBondContact CD2-O 3.46Å; F84-G209 WeakPolarHBondContact CG-O 3.27Å; F84-F211 AromaticContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CE1 4.04Å; F84-F211 HydrophobicContact CD2-CG 4.39Å; F84-F211 HydrophobicContact CE1-CD1 4.45Å; F84-F211 AromaticContact CE1-CE1 3.99Å; F84-F211 HydrophobicContact CE1-CE1 3.99Å; F84-F211 AromaticContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD2 4.32Å; F84-F211 AromaticContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE2 4.13Å; F84-F211 AromaticContact CE2-CG 3.8Å; F84-F211 HydrophobicContact CE2-CG 3.8Å; F84-F211 AromaticContact CE2-CZ 3.46Å; F84-F211 HydrophobicContact CE2-CZ 3.46Å; F84-F211 VanDerWaalsContact CE2-CZ 3.46Å; F84-F211 AromaticContact CZ-CD1 3.51Å; F84-F211 HydrophobicContact CZ-CD1 3.51Å; F84-F211 AromaticContact CZ-CE1 2.91Å; F84-F211 HydrophobicContact CZ-CE1 2.91Å; F84-F211 AromaticContact CZ-CZ 3.51Å; F84-F211 HydrophobicContact CZ-CZ 3.51Å |
| 85 | E | 41.9 | Very low | 46.3 | Very low | 160 Ų | 160 | 87.1 Ų | 87.1 | 75% | 0.748 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -98.7 | -28.2 | 165.4 | -80.9 | -172.1 | 152.9 | 0 | 0 | 114.7 | ||
| 86 | T | 39.7 | Very low | 45.1 | Very low | 142 Ų | 142 | 96.1 Ų | 96.1 | 87% | 0.871 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -153.9 | 56.3 | -170.1 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | ||
| 87 | G | 32.9 | Very low | 43.5 | Very low | 26 Ų | 26 | 98 Ų | 98 | 27% | 0.268 | 53% | 0.531 | S | S | . | . | trans | -112.7 | 151.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G89 C90 | G87-G89 PolarHBondContact O-N 3.09Å; G87-C90 PolarHBondContact N-SG 2.82Å; G87-C90 VanDerWaalsContact O-CB 3.28Å; G87-C90 WeakPolarHBondContact O-CB 3.41Å; G87-C90 PolarHBondContact O-N 3.44Å; G87-C90 PolarHBondContact O-SG 3.03Å | ||
| 88 | I | 33.9 | Very low | 41.9 | Very low | 105 Ų | 105 | 96.2 Ų | 96.2 | 54% | 0.538 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 119.4 | 166.9 | -61.5 | 170.9 | 0 | 0 | 0 | 106.5 | ||
| 89 | G | 32.6 | Very low | 40.2 | Very low | 62 Ų | 62 | 99.3 Ų | 99.3 | 64% | 0.639 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107 | -4.2 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G87 | G87-G89 PolarHBondContact O-N 3.09Š|
| 90 | C | 31.1 | Very low | 38.7 | Very low | 47 Ų | 47 | 104.1 Ų | 104.1 | 32% | 0.318 | 58% | 0.577 | S | S | . | * | trans | -93.7 | 103.9 | 165.6 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | G87 A92 | G87-C90 PolarHBondContact N-SG 2.82Å; G87-C90 VanDerWaalsContact O-CB 3.28Å; G87-C90 WeakPolarHBondContact O-CB 3.41Å; G87-C90 PolarHBondContact O-N 3.44Å; G87-C90 PolarHBondContact O-SG 3.03Å; C90-A92 PolarHBondContact O-N 3.36Å | ||
| 91 | I | 31.6 | Very low | 37.3 | Very low | 133 Ų | 133 | 110.1 Ų | 110.1 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | trans | -70.4 | 101.8 | 169.2 | -51.1 | 177.5 | 0 | 0 | 0 | 106.3 | K93 | I91-K93 PolarHBondContact O-N 2.91Å; I91-K93 VanDerWaalsContact O-N 3.08Å | ||
| 92 | A | 33.9 | Very low | 36 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 70% | 0.702 | 63% | 0.631 | S | S | * | * | trans | -55.7 | 118.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | C90 P94 | C90-A92 PolarHBondContact O-N 3.36Å; A92-P94 WeakPolarHBondContact O-CD 3.33Å | ||
| 93 | K | 32.4 | Very low | 34.9 | Very low | 197 Ų | 197 | 119.9 Ų | 119.9 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | trans | -45.6 | 119.7 | 171.5 | -82.1 | -177.8 | 177.5 | 171.8 | 0 | 107.3 | I91 D95 | I91-K93 PolarHBondContact O-N 2.91Å; I91-K93 VanDerWaalsContact O-N 3.08Å; K93-D95 PolarHBondContact O-N 3.49Å; K93-D95 VanDerWaalsContact O-N 3.12Å | ||
| 94 | P | 34.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 66% | 0.656 | 69% | 0.691 | S | S | * | * | trans | -58.8 | 127.1 | 178.9 | 22 | -30.1 | 0 | 0 | 0 | 106.9 | A92 R96 | A92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-R96 PolarHBondContact O-N 2.87Å | ||
| 95 | D | 30.8 | Very low | 32.9 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 66% | 0.658 | 72% | 0.719 | S | S | * | * | trans | -48.2 | 135.5 | 169.6 | -163.6 | -5.4 | 0 | 0 | 0 | 107.3 | K93 N97 A98 | K93-D95 PolarHBondContact O-N 3.49Å; K93-D95 VanDerWaalsContact O-N 3.12Å; D95-N97 PolarHBondContact O-N 2.78Å; D95-A98 PolarHBondContact O-N 3.46Å | ||
| 96 | R | 36.8 | Very low | 32.6 | Very low | 245 Ų | 245 | 132.7 Ų | 132.7 | 93% | 0.925 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 8.2 | -171.2 | -82 | -175 | 171 | -176.7 | -2.6 | 114.2 | P94 | P94-R96 PolarHBondContact O-N 2.87Š|
| 97 | N | 31.7 | Very low | 32.2 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 75% | 0.754 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | 6.6 | -179.9 | -63.8 | -23.9 | 0 | 0 | 0 | 113.7 | D95 V99 | D95-N97 PolarHBondContact O-N 2.78Å; N97-V99 PolarHBondContact O-N 2.9Å |
| 98 | A | 33 | Very low | 32.3 | Very low | 65 Ų | 65 | 137.1 Ų | 137.1 | 54% | 0.537 | 75% | 0.747 | S | S | . | * | trans | -84.7 | 104.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D95 E100 | D95-A98 PolarHBondContact O-N 3.46Å; A98-E100 PolarHBondContact O-N 2.71Å | ||
| 99 | V | 28.2 | Very low | 32.6 | Very low | 133 Ų | 133 | 139.7 Ų | 139.7 | 81% | 0.806 | 76% | 0.761 | S | S | * | * | trans | -79 | 107.7 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | N97 | N97-V99 PolarHBondContact O-N 2.9Š| ||
| 100 | E | 33.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -85.7 | 129.6 | 164.8 | -75.5 | -168.2 | 162.7 | 0 | 0 | 110 | A98 C102 | A98-E100 PolarHBondContact O-N 2.71Å; E100-C102 PolarHBondContact O-N 2.94Å | ||
| 101 | L | 27 | Very low | 32.8 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | -75.7 | 99.7 | 173 | -71.6 | 163.8 | 0 | 0 | 0 | 108.3 | E103 | L101-E103 PolarHBondContact O-N 2.95Š| ||
| 102 | C | 29.7 | Very low | 32.9 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 113.9 | 168.9 | -58.6 | 0 | 0 | 0 | 0 | 109.8 | E100 | E100-C102 PolarHBondContact O-N 2.94Š| ||
| 103 | E | 32.6 | Very low | 33.1 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -75.2 | 127.3 | 159 | -80.8 | -168.4 | 161.9 | 0 | 0 | 109.7 | L101 | L101-E103 PolarHBondContact O-N 2.95Š| ||
| 104 | T | 26.7 | Very low | 32.9 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -84 | 131.7 | -171 | -6.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 105 | K | 36.3 | Very low | 33.3 | Very low | 212 Ų | 212 | 148.4 Ų | 148.4 | 92% | 0.922 | 80% | 0.801 | S | S | * | * | trans | -160 | 140.9 | 145.2 | -105.8 | 160.2 | -169.4 | -177.3 | 0 | 111.1 | ||||
| 106 | E | 36.3 | Very low | 33.3 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -67.1 | 159.1 | -151.1 | -70.8 | -173.4 | 133.9 | 0 | 0 | 118 | ||||
| 107 | P | 30.8 | Very low | 33.3 | Very low | 120 Ų | 120 | 149.2 Ų | 149.2 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | -91.5 | 132.3 | 173.6 | 35.6 | -27.9 | 0 | 0 | 0 | 111.6 | ||||
| 108 | V | 36.1 | Very low | 33.5 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -134.2 | 108.1 | 160.7 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 109 | L | 38.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 153 Ų | 153 | 83% | 0.827 | 83% | 0.826 | S | S | * | * | trans | -107.4 | 158.8 | 159 | -95.7 | 163.7 | 0 | 0 | 0 | 106.1 | ||||
| 110 | P | 36.7 | Very low | 33.8 | Very low | 101 Ų | 101 | 152.9 Ų | 152.9 | 66% | 0.656 | 83% | 0.826 | S | S | * | * | -157.3 | 169.5 | 55.5 | 39.2 | -15.8 | 0 | 0 | 0 | 119.3 | |||||
| 111 | Q | 31.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | 55.5 | 114.3 | 140.1 | -71.1 | 169 | 9.9 | 0 | 0 | 120.5 | ||||
| 112 | T | 35 | Very low | 34.4 | Very low | 144 Ų | 144 | 150.5 Ų | 150.5 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -144.6 | 145 | 140.3 | -44.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | E | 37.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 83% | 0.828 | S | S | * | * | trans | -72.8 | 155.7 | -156.8 | -63.9 | 162 | 153.6 | 0 | 0 | 116.3 | ||||
| 114 | A | 29.2 | Very low | 35.1 | Very low | 105 Ų | 105 | 150.7 Ų | 150.7 | 87% | 0.868 | 82% | 0.82 | S | S | * | * | trans | -70.9 | 129.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 115 | V | 42.8 | Very low | 35.6 | Very low | 108 Ų | 108 | 149.3 Ų | 149.3 | 66% | 0.655 | 81% | 0.807 | S | S | * | * | trans | -120.2 | 115 | 166.3 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | F117 | V115-F117 HydrophobicContact CB-CD2 4.48Å; V115-F117 HydrophobicContact CB-CE2 4.24Å; V115-F117 HydrophobicContact CG1-CD2 3.78Å; V115-F117 HydrophobicContact CG1-CE2 3.38Å; V115-F117 HydrophobicContact CG1-CZ 4.11Å | ||
| 116 | E | 30.9 | Very low | 35.8 | Very low | 194 Ų | 194 | 144.5 Ų | 144.5 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | trans | -68.5 | 124.7 | 171.3 | -169.7 | 176.3 | -160.2 | 0 | 0 | 109.1 | ||||
| 117 | F | 36.8 | Very low | 36.1 | Very low | 190 Ų | 190 | 142.6 Ų | 142.6 | 83% | 0.833 | 79% | 0.793 | S | S | * | * | trans | -123.1 | 133.6 | 170.9 | -88.2 | -78.5 | 0 | 0 | 0 | 110.9 | V115 | V115-F117 HydrophobicContact CB-CD2 4.48Å; V115-F117 HydrophobicContact CB-CE2 4.24Å; V115-F117 HydrophobicContact CG1-CD2 3.78Å; V115-F117 HydrophobicContact CG1-CE2 3.38Å; V115-F117 HydrophobicContact CG1-CZ 4.11Å | ||
| 118 | A | 36.5 | Very low | 36.6 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -70 | 152.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | T120 | A118-T120 PolarHBondContact O-N 3.34Š| ||
| 119 | E | 30.8 | Very low | 36.8 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 92% | 0.921 | 79% | 0.785 | S | S | * | * | trans | -51.8 | 123.3 | 173.6 | -59.9 | 176.9 | 160.9 | 0 | 0 | 111.1 | ||||
| 120 | T | 37.1 | Very low | 36.7 | Very low | 130 Ų | 130 | 142 Ų | 142 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | trans | -141.6 | 114.4 | 163.6 | -43.9 | 0 | 0 | 0 | 0 | 109.6 | A118 S122 | A118-T120 PolarHBondContact O-N 3.34Å; T120-S122 PolarHBondContact O-N 2.99Å | ||
| 121 | E | 31.9 | Very low | 36.6 | Very low | 196 Ų | 196 | 145.7 Ų | 145.7 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -52.9 | 117.6 | 172 | -59.1 | 176.3 | 148.6 | 0 | 0 | 110.4 | ||||
| 122 | S | 39.2 | Very low | 36.8 | Very low | 97 Ų | 97 | 141.3 Ų | 141.3 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -151.1 | 122.9 | 157.9 | 79 | 0 | 0 | 0 | 0 | 112.1 | T120 L124 | T120-S122 PolarHBondContact O-N 2.99Å; S122-L124 PolarHBondContact O-N 3.26Å | ||
| 123 | N | 38.3 | Very low | 37 | Very low | 174 Ų | 174 | 142 Ų | 142 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -73 | 73.9 | -178.9 | -83.6 | -68.1 | 0 | 0 | 0 | 112 | ||||
| 124 | L | 38.7 | Very low | 37.2 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | -134.3 | 116.3 | 171.6 | -79.6 | 162.2 | 0 | 0 | 0 | 110.6 | S122 | S122-L124 PolarHBondContact O-N 3.26Š| ||
| 125 | N | 38.9 | Very low | 37.7 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | trans | -59.3 | 118.1 | -176.6 | -156.8 | -6.3 | 0 | 0 | 0 | 110.3 | L127 N128 | N125-L127 PolarHBondContact O-N 3.4Å; N125-N128 PolarHBondContact O-N 2.97Å | ||
| 126 | P | 40.2 | Very low | 37.6 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -0.5 | -172.1 | 26.2 | -32.6 | 0 | 0 | 0 | 114.3 | ||
| 127 | L | 43 | Very low | 38.3 | Very low | 140 Ų | 140 | 137.4 Ų | 137.4 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -10.3 | 179.1 | -81.2 | 153.3 | 0 | 0 | 0 | 114.7 | N125 | N125-L127 PolarHBondContact O-N 3.4Š|
| 128 | N | 41 | Very low | 38.7 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -96.6 | 3.9 | -172.9 | -83.6 | -12.6 | 0 | 0 | 0 | 115.7 | N125 | N125-N128 PolarHBondContact O-N 2.97Š|
| 129 | H | 40.3 | Very low | 39.2 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -127.1 | 15.9 | -175.7 | -74.7 | 72.7 | 0 | 0 | 0 | 114.9 | E131 | H129-E131 VanDerWaalsContact C-N 3.29Å; H129-E131 PolarHBondContact O-N 2.74Å | ||
| 130 | C | 34.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 137.5 Ų | 137.5 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | trans | -81.8 | 73.4 | 173.4 | -76.2 | 0 | 0 | 0 | 0 | 111.5 | A132 | C130-A132 PolarHBondContact O-N 2.75Š| ||
| 131 | E | 35 | Very low | 40.2 | Very low | 180 Ų | 180 | 136.8 Ų | 136.8 | 84% | 0.841 | 73% | 0.726 | S | S | * | * | trans | -75.8 | 68.8 | 158.7 | -78 | -173.5 | 156 | 0 | 0 | 109.6 | H129 | H129-E131 VanDerWaalsContact C-N 3.29Å; H129-E131 PolarHBondContact O-N 2.74Å | ||
| 132 | A | 35.6 | Very low | 40.7 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 72% | 0.724 | S | S | * | * | trans | -151.8 | 65.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | C130 V134 | C130-A132 PolarHBondContact O-N 2.75Å; A132-V134 PolarHBondContact O-N 2.73Å; A132-V134 VanDerWaalsContact O-N 3.16Å | ||
| 133 | F | 38.7 | Very low | 40.7 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 70% | 0.697 | 73% | 0.728 | S | S | * | * | trans | -68.3 | 110.6 | 169.1 | 21.1 | -89.8 | 0 | 0 | 0 | 107.8 | T135 | F133-T135 VanDerWaalsContact C-N 3.35Å; F133-T135 HydrophobicContact CB-CG2 4.35Å; F133-T135 HydrophobicContact CD2-CG2 3.87Å; F133-T135 PolarHBondContact O-N 2.73Å | ||
| 134 | V | 42.5 | Very low | 40.7 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | trans | -63.2 | 97.8 | 167 | -177.3 | 0 | 0 | 0 | 0 | 107.2 | A132 I137 | A132-V134 PolarHBondContact O-N 2.73Å; A132-V134 VanDerWaalsContact O-N 3.16Å; V134-I137 HydrophobicContact CB-CG1 4.4Å; V134-I137 HydrophobicContact CG1-CD1 4.24Å; V134-I137 HydrophobicContact CG1-CG1 3.58Å | ||
| 135 | T | 40 | Very low | 40.6 | Very low | 117 Ų | 117 | 131.6 Ų | 131.6 | 72% | 0.718 | 70% | 0.696 | S | S | * | * | trans | -89.9 | -8.9 | -177.5 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | F133 | F133-T135 VanDerWaalsContact C-N 3.35Å; F133-T135 HydrophobicContact CB-CG2 4.35Å; F133-T135 HydrophobicContact CD2-CG2 3.87Å; F133-T135 PolarHBondContact O-N 2.73Å | ||
| 136 | D | 40.6 | Very low | 40.8 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | -122.5 | 46.3 | -167.8 | -123.9 | -2.1 | 0 | 0 | 0 | 112.7 | K138 | D136-K138 PolarHBondContact O-N 2.93Å; D136-K138 VanDerWaalsContact O-N 3.15Å | ||
| 137 | I | 44.7 | Very low | 40.8 | Very low | 122 Ų | 122 | 135.5 Ų | 135.5 | 63% | 0.626 | 71% | 0.714 | S | S | * | * | trans | -74.6 | 102.7 | 174.9 | -53.8 | 179 | 0 | 0 | 0 | 109.3 | V134 Q139 | V134-I137 HydrophobicContact CB-CG1 4.4Å; V134-I137 HydrophobicContact CG1-CD1 4.24Å; V134-I137 HydrophobicContact CG1-CG1 3.58Å; I137-Q139 HydrophobicContact CG2-CG 3.99Å; I137-Q139 PolarHBondContact O-N 2.82Å | ||
| 138 | K | 46.1 | Very low | 40.6 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -87.8 | 100.1 | 168.6 | -69.5 | -178.1 | -177.9 | 171.9 | 0 | 110 | D136 L140 | D136-K138 PolarHBondContact O-N 2.93Å; D136-K138 VanDerWaalsContact O-N 3.15Å; K138-L140 PolarHBondContact O-N 3.32Å | ||
| 139 | Q | 45.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 64% | 0.64 | 72% | 0.72 | S | S | * | * | trans | -78.7 | 117.4 | 170.7 | -65.4 | -179.1 | -24.7 | 0 | 0 | 109.8 | I137 F141 | I137-Q139 HydrophobicContact CG2-CG 3.99Å; I137-Q139 PolarHBondContact O-N 2.82Å; Q139-F141 HydrophobicContact CB-CD2 4.47Å; Q139-F141 HydrophobicContact CB-CE2 3.78Å; Q139-F141 HydrophobicContact CB-CZ 4.22Å | ||
| 140 | L | 46.6 | Very low | 40.2 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 72% | 0.717 | S | S | * | * | trans | -113 | 110.1 | 171.8 | -93 | 133.6 | 0 | 0 | 0 | 108.7 | K138 | K138-L140 PolarHBondContact O-N 3.32Š| ||
| 141 | F | 42.5 | Very low | 40.6 | Very low | 115 Ų | 115 | 136.3 Ų | 136.3 | 50% | 0.504 | 72% | 0.716 | S | S | . | * | trans | -93.4 | 120.9 | 175.2 | -61.7 | -84.8 | 0 | 0 | 0 | 110.1 | Q139 N143 P144 | Q139-F141 HydrophobicContact CB-CD2 4.47Å; Q139-F141 HydrophobicContact CB-CE2 3.78Å; Q139-F141 HydrophobicContact CB-CZ 4.22Å; F141-N143 VanDerWaalsContact C-N 3.29Å; F141-P144 HydrophobicContact CB-CB 3.76Å; F141-P144 HydrophobicContact CB-CG 4.42Å; F141-P144 HydrophobicContact CD2-CB 4.41Å; F141-P144 HydrophobicContact CG-CB 4.04Å | ||
| 142 | K | 42.3 | Very low | 40.9 | Very low | 205 Ų | 205 | 131.7 Ų | 131.7 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -68.7 | -33 | 169.2 | -169 | 175.6 | 179.1 | -178.3 | 0 | 111.3 | ||
| 143 | N | 39.6 | Very low | 41.1 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 75% | 0.754 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -142.2 | 98.9 | 169.6 | -67.5 | -50.4 | 0 | 0 | 0 | 107.6 | F141 | F141-N143 VanDerWaalsContact C-N 3.29Š|
| 144 | P | 38.1 | Very low | 41 | Very low | 93 Ų | 93 | 128 Ų | 128 | 60% | 0.604 | 72% | 0.715 | S | S | * | * | trans | -66 | 133.7 | -178.2 | 24.3 | -30.9 | 0 | 0 | 0 | 110.3 | F141 | F141-P144 HydrophobicContact CB-CB 3.76Å; F141-P144 HydrophobicContact CB-CG 4.42Å; F141-P144 HydrophobicContact CD2-CB 4.41Å; F141-P144 HydrophobicContact CG-CB 4.04Å | ||
| 145 | P | 37.7 | Very low | 40.8 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 41% | 0.409 | 71% | 0.714 | S | S | . | * | trans | -60.8 | 146.5 | 172.9 | 24.2 | -30.2 | 0 | 0 | 0 | 109.7 | I147 | P145-I147 PolarHBondContact O-N 2.99Š| ||
| 146 | V | 42.8 | Very low | 40.8 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | trans | -64.2 | 103.7 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 106.9 | M148 | V146-M148 PolarHBondContact O-N 3.4Š| ||
| 147 | I | 40 | Very low | 40.9 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 82% | 0.821 | 72% | 0.716 | S | S | * | * | trans | -61.5 | 100.4 | -179.9 | -55.5 | 173.1 | 0 | 0 | 0 | 108 | P145 | P145-I147 PolarHBondContact O-N 2.99Š| ||
| 148 | M | 38.7 | Very low | 40.9 | Very low | 144 Ų | 144 | 132.1 Ų | 132.1 | 71% | 0.709 | 72% | 0.719 | S | S | * | * | trans | -78.7 | 148.1 | 162.5 | -83.6 | -168.5 | -59.5 | 0 | 0 | 109.3 | V146 A242 | V146-M148 PolarHBondContact O-N 3.4Å; M148-A242 HydrophobicContact CE-CB 3.96Å | ||
| 149 | H | 35.9 | Very low | 40.9 | Very low | 185 Ų | 185 | 129.6 Ų | 129.6 | 86% | 0.856 | 71% | 0.714 | S | S | * | * | trans | -33.9 | 133.4 | -169.2 | -87.1 | -83 | 0 | 0 | 0 | 116 | S151 | H149-S151 PolarHBondContact O-N 2.88Š| ||
| 150 | D | 37.4 | Very low | 40.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -54.8 | 97.2 | 176.4 | -168.5 | 3.6 | 0 | 0 | 0 | 112.1 | A152 | D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 2.76Å | ||
| 151 | S | 42.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 5.4 | 171.7 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | H149 A153 | H149-S151 PolarHBondContact O-N 2.88Å; S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 VanDerWaalsContact O-N 3.12Å |
| 152 | A | 40.3 | Very low | 41 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 69% | 0.686 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 7.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | D150 G154 | D150-A152 PolarHBondContact O-N 3.01Å; D150-A152 WeakPolarHBondContact OD1-CB 3.34Å; D150-A152 PolarHBondContact OD1-N 2.76Å; A152-G154 PolarHBondContact O-N 2.86Å |
| 153 | A | 40.6 | Very low | 41.2 | Very low | 87 Ų | 87 | 122 Ų | 122 | 72% | 0.719 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -75.3 | 59.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S151 Q155 | S151-A153 PolarHBondContact O-N 2.84Å; S151-A153 VanDerWaalsContact O-N 3.12Å; A153-Q155 PolarHBondContact O-N 2.79Å |
| 154 | G | 35.8 | Very low | 41.4 | Very low | 77 Ų | 77 | 121.1 Ų | 121.1 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | trans | 44.8 | 26.4 | 150 | 0 | 0 | 0 | 0 | 0 | 120 | A152 | A152-G154 PolarHBondContact O-N 2.86Š| ||
| 155 | Q | 39.5 | Very low | 41.7 | Very low | 143 Ų | 143 | 121.2 Ų | 121.2 | 67% | 0.668 | 67% | 0.671 | S | S | * | * | trans | -97.5 | 103.7 | 176.1 | -154.5 | 168.4 | 31.4 | 0 | 0 | 108.2 | A153 F157 | A153-Q155 PolarHBondContact O-N 2.79Å; Q155-F157 HydrophobicContact CB-CD2 4.42Å; Q155-F157 HydrophobicContact CB-CE2 3.95Å; Q155-F157 HydrophobicContact CB-CZ 4.47Å; Q155-F157 HydrophobicContact CG-CE2 4.33Å; Q155-F157 HydrophobicContact CG-CZ 4.41Å; Q155-F157 WeakPolarHBondContact O-CD2 2.99Å; Q155-F157 PolarHBondContact O-N 2.59Å | ||
| 156 | D | 38.9 | Very low | 41.8 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 89% | 0.888 | 68% | 0.676 | S | S | * | * | trans | -57.9 | 97.9 | 171.6 | -74.4 | -40.3 | 0 | 0 | 0 | 108.9 | D158 | D156-D158 PolarHBondContact O-N 2.97Š| ||
| 157 | F | 43.3 | Very low | 42.2 | Very low | 134 Ų | 134 | 123.2 Ų | 123.2 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | trans | -84.2 | 109.3 | 166.2 | -70.3 | -84.7 | 0 | 0 | 0 | 107.3 | Q155 L159 | Q155-F157 HydrophobicContact CB-CD2 4.42Å; Q155-F157 HydrophobicContact CB-CE2 3.95Å; Q155-F157 HydrophobicContact CB-CZ 4.47Å; Q155-F157 HydrophobicContact CG-CE2 4.33Å; Q155-F157 HydrophobicContact CG-CZ 4.41Å; Q155-F157 WeakPolarHBondContact O-CD2 2.99Å; Q155-F157 PolarHBondContact O-N 2.59Å; F157-L159 HydrophobicContact CB-CD1 4.16Å; F157-L159 HydrophobicContact CB-CD2 4.2Å; F157-L159 HydrophobicContact CB-CG 3.74Å; F157-L159 PolarHBondContact O-N 3.24Å | ||
| 158 | D | 44.7 | Very low | 42.5 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 69% | 0.69 | 66% | 0.662 | S | S | * | * | trans | -69.7 | 73.9 | 169.8 | -156.8 | 6.2 | 0 | 0 | 0 | 108.2 | D156 D160 R163 | D156-D158 PolarHBondContact O-N 2.97Å; D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 3.33Å; D158-R163 IonicContact OD2-CZ 3.86Å; D158-R163 IonicContact OD2-NH1 2.69Å; D158-R163 PolarHBondContact OD2-NH1 3.21Å | ||
| 159 | L | 46.4 | Very low | 42.3 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 63% | 0.628 | 66% | 0.658 | S | S | * | * | trans | -80.8 | 71.9 | -177.6 | -69.2 | 169.4 | 0 | 0 | 0 | 109.4 | F157 P161 | F157-L159 HydrophobicContact CB-CD1 4.16Å; F157-L159 HydrophobicContact CB-CD2 4.2Å; F157-L159 HydrophobicContact CB-CG 3.74Å; F157-L159 PolarHBondContact O-N 3.24Å; L159-P161 VanDerWaalsContact O-CD 3.22Å; L159-P161 WeakPolarHBondContact O-CD 3.13Å | ||
| 160 | D | 45.7 | Very low | 42.3 | Very low | 70 Ų | 70 | 113.2 Ų | 113.2 | 37% | 0.374 | 66% | 0.655 | S | S | . | * | trans | -86.6 | 105 | 155.8 | 175.6 | 4 | 0 | 0 | 0 | 107.7 | D158 F162 R163 | D158-D160 VanDerWaalsContact C-N 3.27Å; D158-D160 PolarHBondContact O-N 3.33Å; D160-F162 PolarHBondContact O-N 3.3Å; D160-F162 WeakPolarHBondContact OD1-CB 3.45Å; D160-F162 PolarHBondContact OD1-N 3.48Å; D160-R163 HydrophobicContact CB-CB 3.82Å; D160-R163 HydrophobicContact CB-CG 4.15Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 VanDerWaalsContact O-N 3.15Å; D160-R163 WeakPolarHBondContact OD2-CG 3.12Å | ||
| 161 | P | 46.7 | Very low | 42.3 | Very low | 101 Ų | 101 | 115.4 Ų | 115.4 | 66% | 0.656 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -6.7 | -177.3 | 25.7 | -32.4 | 0 | 0 | 0 | 113.3 | L159 | L159-P161 VanDerWaalsContact O-CD 3.22Å; L159-P161 WeakPolarHBondContact O-CD 3.13Å |
| 162 | F | 44.7 | Very low | 42 | Very low | 129 Ų | 129 | 115 Ų | 115 | 57% | 0.566 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | -10.3 | 179.9 | -55.6 | -73.1 | 0 | 0 | 0 | 114.1 | D160 D164 L165 | D160-F162 PolarHBondContact O-N 3.3Å; D160-F162 WeakPolarHBondContact OD1-CB 3.45Å; D160-F162 PolarHBondContact OD1-N 3.48Å; F162-D164 VanDerWaalsContact C-N 3.34Å; F162-D164 PolarHBondContact O-N 3.22Å; F162-L165 WeakPolarHBondContact O-CB 3.36Å; F162-L165 PolarHBondContact O-N 2.86Å |
| 163 | R | 46.6 | Very low | 42.1 | Very low | 165 Ų | 165 | 114.4 Ų | 114.4 | 62% | 0.623 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -32.2 | -171.9 | -127.1 | 176 | 174.5 | -171.2 | 5.1 | 114.1 | D158 D160 | D158-R163 IonicContact OD2-CZ 3.86Å; D158-R163 IonicContact OD2-NH1 2.69Å; D158-R163 PolarHBondContact OD2-NH1 3.21Å; D160-R163 HydrophobicContact CB-CB 3.82Å; D160-R163 HydrophobicContact CB-CG 4.15Å; D160-R163 PolarHBondContact O-N 2.99Å; D160-R163 VanDerWaalsContact O-N 3.15Å; D160-R163 WeakPolarHBondContact OD2-CG 3.12Å |
| 164 | D | 42.2 | Very low | 42.6 | Very low | 123 Ų | 123 | 118.4 Ų | 118.4 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 25.2 | 177.5 | -65.4 | -23.4 | 0 | 0 | 0 | 112.1 | F162 D166 | F162-D164 VanDerWaalsContact C-N 3.34Å; F162-D164 PolarHBondContact O-N 3.22Å; D164-D166 PolarHBondContact O-N 3.38Å |
| 165 | L | 44.8 | Very low | 43.7 | Very low | 94 Ų | 94 | 115 Ų | 115 | 49% | 0.492 | 60% | 0.601 | S | S | . | * | trans | -73.8 | 69.3 | 173.9 | -161.8 | 77.3 | 0 | 0 | 0 | 109.4 | F162 L167 | F162-L165 WeakPolarHBondContact O-CB 3.36Å; F162-L165 PolarHBondContact O-N 2.86Å; L165-L167 HydrophobicContact CD1-CD2 4.41Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.86Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD2 3.76Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 2.72Å | ||
| 166 | D | 40.4 | Very low | 44.7 | Very low | 99 Ų | 99 | 109.6 Ų | 109.6 | 53% | 0.529 | 58% | 0.578 | S | S | . | * | trans | -72.7 | 98.5 | 168.6 | -166.2 | -4.8 | 0 | 0 | 0 | 108.9 | D164 S168 | D164-D166 PolarHBondContact O-N 3.38Å; D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.03Å; D166-S168 VanDerWaalsContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; D166-S168 PolarHBondContact OD2-OG 3.27Å | ||
| 167 | L | 50.1 | Low | 45.8 | Very low | 145 Ų | 145 | 104.1 Ų | 104.1 | 76% | 0.759 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -1.5 | 178.5 | -62.9 | 175.2 | 0 | 0 | 0 | 112.6 | L165 | L165-L167 HydrophobicContact CD1-CD2 4.41Å; L165-L167 HydrophobicContact CD2-CD1 4.48Å; L165-L167 HydrophobicContact CD2-CD2 3.86Å; L165-L167 HydrophobicContact CD2-CG 4.24Å; L165-L167 HydrophobicContact CG-CD2 3.76Å; L165-L167 HydrophobicContact CG-CG 4.16Å; L165-L167 PolarHBondContact O-N 2.72Å |
| 168 | S | 46.6 | Very low | 46.6 | Very low | 84 Ų | 84 | 104 Ų | 104 | 59% | 0.587 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -18.5 | -166 | 67.1 | 0 | 0 | 0 | 0 | 115.3 | D166 | D166-S168 PolarHBondContact O-N 3.29Å; D166-S168 WeakPolarHBondContact OD1-CB 3.32Å; D166-S168 PolarHBondContact OD1-N 3.03Å; D166-S168 VanDerWaalsContact OD1-N 3.07Å; D166-S168 PolarHBondContact OD1-OG 3.35Å; D166-S168 PolarHBondContact OD2-OG 3.27Å |
| 169 | D | 35.2 | Very low | 47.4 | Very low | 117 Ų | 117 | 99.4 Ų | 99.4 | 63% | 0.626 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -111.8 | 51.8 | -169.2 | -87.2 | -16.2 | 0 | 0 | 0 | 115.5 | W171 | D169-W171 PolarHBondContact O-N 3.14Å; D169-W171 PolarHBondContact O-NE1 3.24Å |
| 170 | G | 36.4 | Very low | 48.1 | Very low | 78 Ų | 78 | 94.1 Ų | 94.1 | 80% | 0.804 | 50% | 0.5 | S | S | * | . | trans | 51 | 32.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | S172 | G170-S172 PolarHBondContact O-N 2.78Š| ||
| 171 | W | 36.3 | Very low | 48.7 | Very low | 176 Ų | 176 | 93.2 Ų | 93.2 | 67% | 0.667 | 50% | 0.499 | S | S | * | . | trans | -69.6 | 103.5 | -173.3 | -66.8 | 63.5 | 0 | 0 | 0 | 108.1 | D169 S173 | D169-W171 PolarHBondContact O-N 3.14Å; D169-W171 PolarHBondContact O-NE1 3.24Å; W171-S173 PolarHBondContact O-N 2.8Å | ||
| 172 | S | 36.9 | Very low | 48.9 | Very low | 94 Ų | 94 | 95.6 Ų | 95.6 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | trans | -57.6 | 86.1 | 161.8 | 153.3 | 0 | 0 | 0 | 0 | 107.5 | G170 R174 | G170-S172 PolarHBondContact O-N 2.78Å; S172-R174 PolarHBondContact O-N 3.48Å | ||
| 173 | S | 43.4 | Very low | 49.2 | Very low | 71 Ų | 71 | 92.9 Ų | 92.9 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | trans | -61.2 | 80.3 | 160.9 | 65.3 | 0 | 0 | 0 | 0 | 106.2 | W171 F175 | W171-S173 PolarHBondContact O-N 2.8Å; S173-F175 PolarHBondContact O-N 2.81Å | ||
| 174 | R | 50.6 | Low | 49.5 | Very low | 171 Ų | 171 | 87.2 Ų | 87.2 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | trans | -66.8 | 94.8 | 169.8 | -101.2 | -161.8 | -111 | -179.8 | 1.5 | 105 | S172 | S172-R174 PolarHBondContact O-N 3.48Š| ||
| 175 | F | 58.4 | Low | 49.6 | Very low | 6 Ų | 6 | 88.3 Ų | 88.3 | 3% | 0.026 | 51% | 0.514 | C | S | . | . | trans | -49.9 | 125 | 176 | -172.1 | -78.6 | 0 | 0 | 0 | 106.8 | S173 F177 L179 F180 V222 L233 M268 | S173-F175 PolarHBondContact O-N 2.81Å; F175-F177 HydrophobicContact CB-CE1 4.39Å; F175-F177 HydrophobicContact CB-CE2 4.45Å; F175-F177 HydrophobicContact CB-CZ 4.21Å; F175-F177 HydrophobicContact CD1-CD1 4.07Å; F175-F177 HydrophobicContact CD1-CE1 4.29Å; F175-F177 HydrophobicContact CD1-CG 4.48Å; F175-F177 WeakPolarHBondContact O-CD2 3.42Å; F175-F177 WeakPolarHBondContact O-CE2 3.5Å; F175-F177 PolarHBondContact O-N 2.77Å; F175-L179 HydrophobicContact CE1-CD1 4.45Å; F175-L179 HydrophobicContact CZ-CD1 4.45Å; F175-F180 HydrophobicContact CD1-CE2 4.15Å; F175-F180 AromaticContact CE1-CD2 3.84Å; F175-F180 HydrophobicContact CE1-CD2 3.84Å; F175-F180 AromaticContact CE1-CE2 3.08Å; F175-F180 HydrophobicContact CE1-CE2 3.08Å; F175-F180 AromaticContact CE1-CZ 3.72Å; F175-F180 HydrophobicContact CE1-CZ 3.72Å; F175-F180 AromaticContact CZ-CE2 3.38Å; F175-F180 HydrophobicContact CZ-CE2 3.38Å; F175-F180 AromaticContact CZ-CZ 3.56Å; F175-F180 HydrophobicContact CZ-CZ 3.56Å; F175-V222 HydrophobicContact CB-CB 4.47Å; F175-V222 HydrophobicContact CB-CG2 3.69Å; F175-V222 HydrophobicContact CD1-CB 4.25Å; F175-V222 HydrophobicContact CD1-CG2 3.51Å; F175-V222 HydrophobicContact CD2-CB 3.52Å; F175-V222 HydrophobicContact CD2-CG1 4.09Å; F175-V222 HydrophobicContact CD2-CG2 3.58Å; F175-V222 HydrophobicContact CE1-CB 4.47Å; F175-V222 HydrophobicContact CE1-CG1 4.26Å; F175-V222 HydrophobicContact CE1-CG2 4.06Å; F175-V222 HydrophobicContact CE2-CB 3.72Å; F175-V222 HydrophobicContact CE2-CG1 3.76Å; F175-V222 HydrophobicContact CE2-CG2 4.07Å; F175-V222 HydrophobicContact CG-CB 3.8Å; F175-V222 HydrophobicContact CG-CG1 4.44Å; F175-V222 HydrophobicContact CG-CG2 3.26Å; F175-V222 HydrophobicContact CZ-CB 4.2Å; F175-V222 HydrophobicContact CZ-CG1 3.85Å; F175-V222 HydrophobicContact CZ-CG2 4.29Å; F175-L233 HydrophobicContact CD2-CB 4.41Å; F175-L233 HydrophobicContact CE2-CB 3.83Å; F175-L233 HydrophobicContact CE2-CD1 4.35Å; F175-M268 HydrophobicContact CE1-SD 4.49Å; F175-M268 HydrophobicContact CE2-SD 3.54Å; F175-M268 VanDerWaalsContact CE2-SD 3.54Å; F175-M268 HydrophobicContact CZ-SD 3.37Å; F175-M268 WeakPolarHBondContact CZ-SD 3.43Å | ||
| 176 | P | 60.9 | Low | 49.8 | Very low | 29 Ų | 29 | 87.8 Ų | 87.8 | 19% | 0.188 | 52% | 0.519 | C | S | . | . | trans | -71.4 | 84.3 | -177.3 | 24.1 | -27.8 | 0 | 0 | 0 | 108.6 | N178 L179 | P176-N178 PolarHBondContact O-N 2.96Å; P176-L179 HydrophobicContact CB-CD1 4.46Å; P176-L179 HydrophobicContact CB-CG 4.16Å; P176-L179 HydrophobicContact CG-CD1 3.64Å; P176-L179 HydrophobicContact CG-CG 3.88Å; P176-L179 WeakPolarHBondContact O-CB 3.11Å; P176-L179 VanDerWaalsContact O-CG 3.29Å; P176-L179 WeakPolarHBondContact O-CG 3.43Å; P176-L179 PolarHBondContact O-N 2.91Å | ||
| 177 | F | 61.5 | Low | 50.1 | Low | 51 Ų | 51 | 85.7 Ų | 85.7 | 22% | 0.224 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -58.1 | -18.6 | -178.3 | -65.1 | -72.3 | 0 | 0 | 0 | 113.4 | F175 L179 F180 L216 Q220 V222 | F175-F177 HydrophobicContact CB-CE1 4.39Å; F175-F177 HydrophobicContact CB-CE2 4.45Å; F175-F177 HydrophobicContact CB-CZ 4.21Å; F175-F177 HydrophobicContact CD1-CD1 4.07Å; F175-F177 HydrophobicContact CD1-CE1 4.29Å; F175-F177 HydrophobicContact CD1-CG 4.48Å; F175-F177 WeakPolarHBondContact O-CD2 3.42Å; F175-F177 WeakPolarHBondContact O-CE2 3.5Å; F175-F177 PolarHBondContact O-N 2.77Å; F177-L179 PolarHBondContact O-N 3.23Å; F177-F180 PolarHBondContact O-N 2.89Å; F177-L216 HydrophobicContact CD1-CD2 3.46Å; F177-L216 VanDerWaalsContact CD1-CD2 3.46Å; F177-L216 HydrophobicContact CD1-CG 4.08Å; F177-L216 HydrophobicContact CE1-CD2 3.77Å; F177-L216 HydrophobicContact CE1-CG 3.99Å; F177-Q220 HydrophobicContact CE2-CB 4.11Å; F177-Q220 HydrophobicContact CE2-CG 4.32Å; F177-Q220 HydrophobicContact CZ-CB 3.8Å; F177-Q220 HydrophobicContact CZ-CG 4.29Å; F177-Q220 WeakPolarHBondContact CZ-O 3.46Å; F177-V222 HydrophobicContact CD1-CG2 4.34Å; F177-V222 HydrophobicContact CE1-CG2 3.59Å; F177-V222 HydrophobicContact CZ-CG2 4.23Å |
| 178 | N | 61.3 | Low | 50.4 | Low | 131 Ų | 131 | 81.9 Ų | 81.9 | 70% | 0.701 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -62.6 | -19.3 | 170.9 | -59.9 | -13.1 | 0 | 0 | 0 | 112.3 | P176 F180 S181 R188 | P176-N178 PolarHBondContact O-N 2.96Å; N178-F180 PolarHBondContact O-N 3.07Å; N178-F180 VanDerWaalsContact O-N 3.14Å; N178-S181 PolarHBondContact O-N 3.07Å; N178-S181 PolarHBondContact O-OG 2.54Å; N178-R188 PolarHBondContact O-NH2 2.87Å |
| 179 | L | 60.5 | Low | 50.7 | Low | 34 Ų | 34 | 82.4 Ų | 82.4 | 18% | 0.178 | 49% | 0.491 | C | S | . | . | G | 310 helix | trans | -62.8 | -9.9 | 167.9 | -71.3 | -175.6 | 0 | 0 | 0 | 113.4 | F175 P176 F177 R188 M268 | F175-L179 HydrophobicContact CE1-CD1 4.45Å; F175-L179 HydrophobicContact CZ-CD1 4.45Å; P176-L179 HydrophobicContact CB-CD1 4.46Å; P176-L179 HydrophobicContact CB-CG 4.16Å; P176-L179 HydrophobicContact CG-CD1 3.64Å; P176-L179 HydrophobicContact CG-CG 3.88Å; P176-L179 WeakPolarHBondContact O-CB 3.11Å; P176-L179 VanDerWaalsContact O-CG 3.29Å; P176-L179 WeakPolarHBondContact O-CG 3.43Å; P176-L179 PolarHBondContact O-N 2.91Å; F177-L179 PolarHBondContact O-N 3.23Å; L179-R188 VanDerWaalsContact C-NH2 3.32Å; L179-R188 WeakPolarHBondContact O-CD 3.4Å; L179-R188 PolarHBondContact O-NE 3.35Å; L179-R188 PolarHBondContact O-NH1 3.06Å; L179-R188 PolarHBondContact O-NH2 3.37Å; L179-M268 HydrophobicContact CD1-CE 4.32Å; L179-M268 HydrophobicContact CD1-CG 4.45Å; L179-M268 HydrophobicContact CD1-SD 3.77Å |
| 180 | F | 61.2 | Low | 51.6 | Low | 8 Ų | 8 | 80.9 Ų | 80.9 | 4% | 0.035 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -123.6 | 6.4 | 177 | -53.3 | -58.9 | 0 | 0 | 0 | 113.9 | Y81 F175 F177 N178 F190 I214 L216 V222 | Y81-F180 HydrophobicContact CD1-CB 4.17Å; Y81-F180 HydrophobicContact CD2-CB 3.62Å; Y81-F180 HydrophobicContact CD2-CD1 4.11Å; Y81-F180 HydrophobicContact CD2-CD2 4.01Å; Y81-F180 AromaticContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CD2-CG 3.66Å; Y81-F180 HydrophobicContact CE1-CB 3.86Å; Y81-F180 WeakPolarHBondContact CE1-O 3.13Å; Y81-F180 HydrophobicContact CE2-CB 3.25Å; Y81-F180 AromaticContact CE2-CD2 3.97Å; Y81-F180 HydrophobicContact CE2-CD2 3.97Å; Y81-F180 AromaticContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CE2-CG 3.72Å; Y81-F180 HydrophobicContact CG-CB 4.06Å; Y81-F180 HydrophobicContact CG-CD1 4.31Å; Y81-F180 HydrophobicContact CG-CG 4.23Å; Y81-F180 PolarHBondContact OH-O 2.82Å; F175-F180 HydrophobicContact CD1-CE2 4.15Å; F175-F180 AromaticContact CE1-CD2 3.84Å; F175-F180 HydrophobicContact CE1-CD2 3.84Å; F175-F180 AromaticContact CE1-CE2 3.08Å; F175-F180 HydrophobicContact CE1-CE2 3.08Å; F175-F180 AromaticContact CE1-CZ 3.72Å; F175-F180 HydrophobicContact CE1-CZ 3.72Å; F175-F180 AromaticContact CZ-CE2 3.38Å; F175-F180 HydrophobicContact CZ-CE2 3.38Å; F175-F180 AromaticContact CZ-CZ 3.56Å; F175-F180 HydrophobicContact CZ-CZ 3.56Å; F177-F180 PolarHBondContact O-N 2.89Å; N178-F180 PolarHBondContact O-N 3.07Å; N178-F180 VanDerWaalsContact O-N 3.14Å; F180-F190 HydrophobicContact CE1-CE1 4.4Å; F180-F190 HydrophobicContact CE1-CZ 4.15Å; F180-I214 HydrophobicContact CE1-CD1 3.71Å; F180-I214 HydrophobicContact CE1-CG2 4.38Å; F180-I214 HydrophobicContact CE2-CG2 3.92Å; F180-I214 HydrophobicContact CZ-CB 4.36Å; F180-I214 HydrophobicContact CZ-CD1 3.73Å; F180-I214 HydrophobicContact CZ-CG2 3.64Å; F180-L216 HydrophobicContact CD2-CD1 4.13Å; F180-L216 HydrophobicContact CE2-CD1 4.28Å; F180-V222 HydrophobicContact CE2-CG1 4.24Å |
| 181 | S | 57.4 | Low | 52.3 | Low | 51 Ų | 51 | 83.2 Ų | 83.2 | 36% | 0.357 | 48% | 0.478 | S | S | . | . | trans | -77 | 125.2 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 111.6 | N178 G183 A184 R188 | N178-S181 PolarHBondContact O-N 3.07Å; N178-S181 PolarHBondContact O-OG 2.54Å; S181-G183 PolarHBondContact O-N 3.19Å; S181-A184 PolarHBondContact O-N 2.89Å; S181-R188 VanDerWaalsContact N-NH2 3.2Å; S181-R188 PolarHBondContact O-NH2 3.27Å | ||
| 182 | D | 51.3 | Low | 53 | Low | 152 Ų | 152 | 77.8 Ų | 77.8 | 81% | 0.813 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -9.8 | 177.5 | -85.3 | -7.7 | 0 | 0 | 0 | 115.1 | A184 | D182-A184 VanDerWaalsContact C-N 3.33Š|
| 183 | G | 51.2 | Low | 53.5 | Low | 72 Ų | 72 | 82.5 Ų | 82.5 | 74% | 0.742 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S181 T185 | S181-G183 PolarHBondContact O-N 3.19Å; G183-T185 PolarHBondContact O-N 3.02Å |
| 184 | A | 52.6 | Low | 53.9 | Low | 46 Ų | 46 | 80.3 Ų | 80.3 | 38% | 0.38 | 46% | 0.456 | S | S | . | . | trans | -76.5 | 116.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | S181 D182 S186 | S181-A184 PolarHBondContact O-N 2.89Å; D182-A184 VanDerWaalsContact C-N 3.33Å; A184-S186 PolarHBondContact O-N 2.92Å | ||
| 185 | T | 43.8 | Very low | 53.8 | Low | 145 Ų | 145 | 75.8 Ų | 75.8 | 89% | 0.89 | 45% | 0.449 | S | S | * | . | trans | -69.9 | -15.2 | 175.8 | 47 | 0 | 0 | 0 | 0 | 113.1 | G183 | G183-T185 PolarHBondContact O-N 3.02Š| ||
| 186 | S | 50.2 | Low | 53.4 | Low | 84 Ų | 84 | 82 Ų | 82 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -87.6 | 125.6 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 109.9 | A184 | A184-S186 PolarHBondContact O-N 2.92Š|
| 187 | G | 47.2 | Very low | 53.2 | Low | 54 Ų | 54 | 90.2 Ų | 90.2 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | trans | -55.1 | 151.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 188 | R | 56.1 | Low | 52.7 | Low | 66 Ų | 66 | 90.7 Ų | 90.7 | 25% | 0.249 | 52% | 0.52 | C | S | . | . | trans | -113.1 | 122.2 | -180 | -63.9 | 168.8 | -176.9 | 146.5 | -9.4 | 108.6 | N178 L179 S181 F190 | N178-R188 PolarHBondContact O-NH2 2.87Å; L179-R188 VanDerWaalsContact C-NH2 3.32Å; L179-R188 WeakPolarHBondContact O-CD 3.4Å; L179-R188 PolarHBondContact O-NE 3.35Å; L179-R188 PolarHBondContact O-NH1 3.06Å; L179-R188 PolarHBondContact O-NH2 3.37Å; S181-R188 VanDerWaalsContact N-NH2 3.2Å; S181-R188 PolarHBondContact O-NH2 3.27Å; R188-F190 HydrophobicContact CB-CD2 4.29Å; R188-F190 HydrophobicContact CB-CE2 3.5Å; R188-F190 HydrophobicContact CB-CZ 3.75Å; R188-F190 HydrophobicContact CG-CZ 4.42Å | ||
| 189 | L | 52.9 | Low | 52.3 | Low | 95 Ų | 95 | 87.2 Ų | 87.2 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | trans | -95.2 | 126.8 | 171.1 | -172.5 | 67.7 | 0 | 0 | 0 | 108.6 | V245 | L189-V245 HydrophobicContact CD2-CB 4.4Å; L189-V245 HydrophobicContact CD2-CG1 3.81Å; L189-V245 HydrophobicContact CD2-CG2 3.85Å | ||
| 190 | F | 53.7 | Low | 51.8 | Low | 84 Ų | 84 | 89.4 Ų | 89.4 | 37% | 0.368 | 52% | 0.517 | S | S | . | . | trans | -120.7 | 124.2 | 170.8 | -56.7 | -81.2 | 0 | 0 | 0 | 107.7 | F180 R188 M268 | F180-F190 HydrophobicContact CE1-CE1 4.4Å; F180-F190 HydrophobicContact CE1-CZ 4.15Å; R188-F190 HydrophobicContact CB-CD2 4.29Å; R188-F190 HydrophobicContact CB-CE2 3.5Å; R188-F190 HydrophobicContact CB-CZ 3.75Å; R188-F190 HydrophobicContact CG-CZ 4.42Å; F190-M268 HydrophobicContact CD1-CE 3.63Å; F190-M268 HydrophobicContact CE1-CE 3.46Å; F190-M268 VanDerWaalsContact CE1-CE 3.46Å | ||
| 191 | T | 51 | Low | 51.4 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 78% | 0.779 | 56% | 0.555 | S | S | * | * | trans | -106.2 | 133.1 | 166.6 | 49.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 192 | L | 51.6 | Low | 51 | Low | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.325 | 57% | 0.568 | S | S | . | * | trans | -124.4 | 118.3 | 174.1 | -173.3 | 73.2 | 0 | 0 | 0 | 108.5 | L194 F211 L224 V226 A270 | L192-L194 HydrophobicContact CD2-CD1 3.98Å; L192-L194 HydrophobicContact CD2-CD2 3.62Å; L192-L194 HydrophobicContact CD2-CG 3.63Å; L192-L194 HydrophobicContact CG-CD2 4.12Å; L192-L194 HydrophobicContact CG-CG 4Å; L192-F211 HydrophobicContact CB-CZ 4.05Å; L192-F211 HydrophobicContact CD2-CD2 4.41Å; L192-F211 HydrophobicContact CD2-CE2 3.24Å; L192-F211 HydrophobicContact CD2-CZ 3.33Å; L192-F211 HydrophobicContact CG-CZ 4.34Å; L192-L224 HydrophobicContact CD1-CD2 3.48Å; L192-L224 VanDerWaalsContact CD1-CD2 3.48Å; L192-L224 HydrophobicContact CD2-CD2 3.64Å; L192-L224 HydrophobicContact CG-CD2 4.24Å; L192-V226 HydrophobicContact CD2-CG2 4.41Å; L192-A270 HydrophobicContact CD1-CB 4.21Å | ||
| 193 | Q | 47.7 | Very low | 50.7 | Low | 193 Ų | 193 | 99 Ų | 99 | 90% | 0.902 | 57% | 0.571 | S | S | * | * | trans | -91.7 | 114 | 165.8 | -71.8 | -177.8 | -8.7 | 0 | 0 | 108 | ||||
| 194 | L | 51.6 | Low | 50.2 | Low | 26 Ų | 26 | 101.2 Ų | 101.2 | 14% | 0.136 | 56% | 0.563 | C | S | . | * | trans | -98 | 134.7 | 174.4 | -73.3 | 172.1 | 0 | 0 | 0 | 109 | L192 D196 L198 L199 I206 V226 F231 | L192-L194 HydrophobicContact CD2-CD1 3.98Å; L192-L194 HydrophobicContact CD2-CD2 3.62Å; L192-L194 HydrophobicContact CD2-CG 3.63Å; L192-L194 HydrophobicContact CG-CD2 4.12Å; L192-L194 HydrophobicContact CG-CG 4Å; L194-D196 PolarHBondContact O-N 2.81Å; L194-L198 HydrophobicContact CD2-CD1 4.41Å; L194-L199 HydrophobicContact CB-CD2 3.99Å; L194-L199 HydrophobicContact CD1-CD2 4.23Å; L194-I206 HydrophobicContact CD1-CD1 4.13Å; L194-V226 HydrophobicContact CD1-CG1 4.26Å; L194-V226 HydrophobicContact CD2-CG2 4.49Å; L194-F231 HydrophobicContact CD2-CZ 4.37Å | ||
| 195 | P | 47.5 | Very low | 49.8 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 49% | 0.494 | 58% | 0.583 | S | S | . | * | trans | -54.4 | 138.1 | 166.8 | -23.9 | 31.6 | 0 | 0 | 0 | 110.9 | K197 L198 | P195-K197 PolarHBondContact O-N 3.26Å; P195-L198 HydrophobicContact CG-CD1 4.45Å; P195-L198 WeakPolarHBondContact O-CB 3.19Å; P195-L198 PolarHBondContact O-N 2.81Å | ||
| 196 | D | 50.4 | Low | 50.1 | Low | 137 Ų | 137 | 104.3 Ų | 104.3 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -51.2 | -31.6 | -177.4 | -57.7 | -23.7 | 0 | 0 | 0 | 113.5 | L194 L198 L199 | L194-D196 PolarHBondContact O-N 2.81Å; D196-L198 PolarHBondContact O-N 3.21Å; D196-L199 WeakPolarHBondContact O-CB 3.06Å; D196-L199 PolarHBondContact O-N 3.02Å |
| 197 | K | 55.9 | Low | 49.8 | Very low | 200 Ų | 200 | 107 Ų | 107 | 87% | 0.87 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -64 | -18.2 | 178 | -60.5 | -178.8 | -177.8 | 179.1 | 0 | 114.4 | P195 | P195-K197 PolarHBondContact O-N 3.26Š|
| 198 | L | 51.5 | Low | 49.8 | Very low | 61 Ų | 61 | 111 Ų | 111 | 32% | 0.319 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -99.8 | -7.7 | 176.7 | -61.2 | -178.4 | 0 | 0 | 0 | 112.4 | L194 P195 D196 A229 F231 | L194-L198 HydrophobicContact CD2-CD1 4.41Å; P195-L198 HydrophobicContact CG-CD1 4.45Å; P195-L198 WeakPolarHBondContact O-CB 3.19Å; P195-L198 PolarHBondContact O-N 2.81Å; D196-L198 PolarHBondContact O-N 3.21Å; L198-A229 HydrophobicContact CD1-CB 4.42Å; L198-A229 HydrophobicContact CD2-CB 4.35Å; L198-F231 HydrophobicContact CD1-CE1 4.3Å; L198-F231 HydrophobicContact CD1-CE2 4.39Å; L198-F231 HydrophobicContact CD1-CZ 3.49Å; L198-F231 VanDerWaalsContact CD1-CZ 3.49Å |
| 199 | L | 53.6 | Low | 49.4 | Very low | 59 Ų | 59 | 109.2 Ų | 109.2 | 31% | 0.309 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -75 | 142.8 | 170.1 | -55.8 | -180 | 0 | 0 | 0 | 108.3 | L194 D196 I206 | L194-L199 HydrophobicContact CB-CD2 3.99Å; L194-L199 HydrophobicContact CD1-CD2 4.23Å; D196-L199 WeakPolarHBondContact O-CB 3.06Å; D196-L199 PolarHBondContact O-N 3.02Å; L199-I206 HydrophobicContact CD2-CD1 3.49Å; L199-I206 VanDerWaalsContact CD2-CD1 3.49Å; L199-I206 HydrophobicContact CD2-CG1 3.88Å |
| 200 | P | 48.8 | Very low | 49.7 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 52% | 0.519 | 57% | 0.574 | S | S | . | * | trans | -50.4 | 143.3 | 171.2 | -24.5 | 33.6 | 0 | 0 | 0 | 110.6 | D202 | P200-D202 CarbonylContact O-C 3.58Å; P200-D202 PolarHBondContact O-N 3.09Å | ||
| 201 | P | 52.7 | Low | 50.3 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 83% | 0.825 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -62.6 | -18.1 | -175.9 | 24.9 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 202 | D | 49.3 | Very low | 51.2 | Low | 118 Ų | 118 | 103.2 Ų | 103.2 | 63% | 0.631 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -86.1 | 114.5 | 168.8 | -61.2 | -35.9 | 0 | 0 | 0 | 107.7 | P200 E204 | P200-D202 CarbonylContact O-C 3.58Å; P200-D202 PolarHBondContact O-N 3.09Å; D202-E204 PolarHBondContact O-N 3.23Å |
| 203 | N | 44.4 | Very low | 52.2 | Low | 166 Ų | 166 | 104.4 Ų | 104.4 | 89% | 0.888 | 54% | 0.538 | S | S | * | . | trans | -56.2 | 22.8 | 172.8 | -80 | -23.9 | 0 | 0 | 0 | 114.6 | Q205 | N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.89Å | ||
| 204 | E | 42 | Very low | 53.6 | Low | 119 Ų | 119 | 95.6 Ų | 95.6 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | trans | -58.1 | 106.4 | 159.7 | -65.6 | -152.6 | 141.1 | 0 | 0 | 106.4 | D202 I206 K207 | D202-E204 PolarHBondContact O-N 3.23Å; E204-I206 PolarHBondContact O-N 3.45Å; E204-I206 VanDerWaalsContact O-N 3.13Å; E204-K207 IonicContact OE1-NZ 2.91Å; E204-K207 PolarHBondContact OE1-NZ 2.71Å; E204-K207 WeakPolarHBondContact OE2-CE 3.47Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å | ||
| 205 | Q | 43 | Very low | 54.8 | Low | 175 Ų | 175 | 95 Ų | 95 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | trans | -24.8 | 123 | 157.6 | -72.7 | 170.2 | -18.2 | 0 | 0 | 107.6 | N203 K207 | N203-Q205 VanDerWaalsContact C-N 3.34Å; N203-Q205 PolarHBondContact O-N 2.89Å; Q205-K207 VanDerWaalsContact C-N 3.27Å; Q205-K207 WeakPolarHBondContact O-CA 3.34Å; Q205-K207 PolarHBondContact O-N 3.49Å | ||
| 206 | I | 49.9 | Very low | 56.2 | Low | 82 Ų | 82 | 92.1 Ų | 92.1 | 42% | 0.421 | 47% | 0.473 | S | S | . | . | trans | -44.6 | 102.9 | 175.9 | -59.3 | 174.8 | 0 | 0 | 0 | 105.9 | L194 L199 E204 E208 F211 | L194-I206 HydrophobicContact CD1-CD1 4.13Å; L199-I206 HydrophobicContact CD2-CD1 3.49Å; L199-I206 VanDerWaalsContact CD2-CD1 3.49Å; L199-I206 HydrophobicContact CD2-CG1 3.88Å; E204-I206 PolarHBondContact O-N 3.45Å; E204-I206 VanDerWaalsContact O-N 3.13Å; I206-E208 PolarHBondContact O-N 2.95Å; I206-F211 HydrophobicContact CG2-CB 4.18Å; I206-F211 HydrophobicContact CG2-CD1 4.1Å; I206-F211 HydrophobicContact CG2-CG 4.48Å | ||
| 207 | K | 45.1 | Very low | 57.5 | Low | 140 Ų | 140 | 86 Ų | 86 | 61% | 0.609 | 44% | 0.441 | S | S | * | . | trans | -61.7 | 131.4 | -173.7 | -81.7 | 175.4 | 175.8 | 150.8 | 0 | 104.8 | E204 Q205 G209 | E204-K207 IonicContact OE1-NZ 2.91Å; E204-K207 PolarHBondContact OE1-NZ 2.71Å; E204-K207 WeakPolarHBondContact OE2-CE 3.47Å; E204-K207 IonicContact OE2-NZ 2.66Å; E204-K207 PolarHBondContact OE2-NZ 3.29Å; Q205-K207 VanDerWaalsContact C-N 3.27Å; Q205-K207 WeakPolarHBondContact O-CA 3.34Å; Q205-K207 PolarHBondContact O-N 3.49Å; K207-G209 PolarHBondContact O-N 2.97Å; K207-G209 VanDerWaalsContact O-N 3.09Å | ||
| 208 | E | 47.9 | Very low | 58.4 | Low | 139 Ų | 139 | 79.9 Ų | 79.9 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -44.7 | 124.5 | 175.2 | -70.2 | -178.5 | -171 | 0 | 0 | 109.2 | I206 | I206-E208 PolarHBondContact O-N 2.95Š|
| 209 | G | 47 | Very low | 59.7 | Low | 28 Ų | 28 | 79.9 Ų | 79.9 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 150.9 | -176.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F84 K207 F211 | F84-G209 WeakPolarHBondContact CB-O 3.48Å; F84-G209 WeakPolarHBondContact CD2-O 3.46Å; F84-G209 WeakPolarHBondContact CG-O 3.27Å; K207-G209 PolarHBondContact O-N 2.97Å; K207-G209 VanDerWaalsContact O-N 3.09Å; G209-F211 PolarHBondContact O-N 3.15Å |
| 210 | L | 58.9 | Low | 60.6 | Low | 119 Ų | 119 | 80.8 Ų | 80.8 | 62% | 0.623 | 42% | 0.421 | S | S | * | . | trans | -68.2 | 100.8 | -175.8 | -176.5 | 60.8 | 0 | 0 | 0 | 111.4 | S82 I83 G212 | S82-L210 WeakPolarHBondContact OG-CD1 3.09Å; I83-L210 WeakPolarHBondContact O-CD1 3.16Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å | ||
| 211 | F | 65.8 | Low | 61.9 | Low | 50 Ų | 50 | 81.3 Ų | 81.3 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | trans | -99.1 | -13.5 | 173.1 | 74.8 | -115.8 | 0 | 0 | 0 | 113.9 | I83 F84 L192 I206 G209 V226 | I83-F211 HydrophobicContact CD1-CD2 4.48Å; I83-F211 HydrophobicContact CD1-CE2 3.78Å; I83-F211 HydrophobicContact CD1-CZ 3.84Å; F84-F211 AromaticContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CD1 3.77Å; F84-F211 HydrophobicContact CD2-CE1 4.04Å; F84-F211 HydrophobicContact CD2-CG 4.39Å; F84-F211 HydrophobicContact CE1-CD1 4.45Å; F84-F211 AromaticContact CE1-CE1 3.99Å; F84-F211 HydrophobicContact CE1-CE1 3.99Å; F84-F211 AromaticContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD1 3.05Å; F84-F211 HydrophobicContact CE2-CD2 4.32Å; F84-F211 AromaticContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE1 2.92Å; F84-F211 HydrophobicContact CE2-CE2 4.13Å; F84-F211 AromaticContact CE2-CG 3.8Å; F84-F211 HydrophobicContact CE2-CG 3.8Å; F84-F211 AromaticContact CE2-CZ 3.46Å; F84-F211 HydrophobicContact CE2-CZ 3.46Å; F84-F211 VanDerWaalsContact CE2-CZ 3.46Å; F84-F211 AromaticContact CZ-CD1 3.51Å; F84-F211 HydrophobicContact CZ-CD1 3.51Å; F84-F211 AromaticContact CZ-CE1 2.91Å; F84-F211 HydrophobicContact CZ-CE1 2.91Å; F84-F211 AromaticContact CZ-CZ 3.51Å; F84-F211 HydrophobicContact CZ-CZ 3.51Å; L192-F211 HydrophobicContact CB-CZ 4.05Å; L192-F211 HydrophobicContact CD2-CD2 4.41Å; L192-F211 HydrophobicContact CD2-CE2 3.24Å; L192-F211 HydrophobicContact CD2-CZ 3.33Å; L192-F211 HydrophobicContact CG-CZ 4.34Å; I206-F211 HydrophobicContact CG2-CB 4.18Å; I206-F211 HydrophobicContact CG2-CD1 4.1Å; I206-F211 HydrophobicContact CG2-CG 4.48Å; G209-F211 PolarHBondContact O-N 3.15Å; F211-V226 HydrophobicContact CD2-CG1 4.15Å; F211-V226 HydrophobicContact CD2-CG2 3.95Å; F211-V226 HydrophobicContact CE2-CG2 3.9Å | ||
| 212 | G | 70.4 | Confident | 63 | Low | 10 Ų | 10 | 75.4 Ų | 75.4 | 10% | 0.103 | 38% | 0.378 | C | S | . | . | trans | -171.2 | -177.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | I83 L210 V225 | I83-G212 VanDerWaalsContact CG1-O 3.3Å; I83-G212 WeakPolarHBondContact CG1-O 3.43Å; L210-G212 WeakPolarHBondContact CD1-O 3.37Å; G212-V225 CarbonylContact C-O 3.59Å; G212-V225 WeakPolarHBondContact CA-O 3.38Å | ||
| 213 | K | 72.5 | Confident | 64.5 | Low | 88 Ų | 88 | 72.4 Ų | 72.4 | 38% | 0.383 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 143.3 | 177.5 | 60.5 | -174.3 | 172.5 | -170.8 | 0 | 111.1 | Q215 V225 | K213-Q215 HydrophobicContact CD-CG 4.24Å; K213-Q215 VanDerWaalsContact CE-NE2 3.32Å; K213-Q215 HydrophobicContact CG-CG 4.06Å; K213-V225 HydrophobicContact CG-CB 3.98Å; K213-V225 PolarHBondContact N-O 3.39Å; K213-V225 PolarHBondContact O-N 3.37Å |
| 214 | I | 78 | Confident | 66.2 | Low | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123.4 | 168.6 | -61.7 | 175.1 | 0 | 0 | 0 | 107.5 | S80 Y81 I83 F180 L216 V222 R223 L224 L233 | S80-I214 CarbonylContact C-O 3.38Å; S80-I214 WeakPolarHBondContact CA-O 3.42Å; S80-I214 WeakPolarHBondContact CB-O 3.44Å; Y81-I214 PolarHBondContact N-O 3.19Å; Y81-I214 PolarHBondContact O-N 3.4Å; I83-I214 HydrophobicContact CG2-CD1 3.6Å; I83-I214 HydrophobicContact CG2-CG1 3.85Å; F180-I214 HydrophobicContact CE1-CD1 3.71Å; F180-I214 HydrophobicContact CE1-CG2 4.38Å; F180-I214 HydrophobicContact CE2-CG2 3.92Å; F180-I214 HydrophobicContact CZ-CB 4.36Å; F180-I214 HydrophobicContact CZ-CD1 3.73Å; F180-I214 HydrophobicContact CZ-CG2 3.64Å; I214-L216 HydrophobicContact CG2-CD1 4.47Å; I214-V222 HydrophobicContact CG2-CG1 3.36Å; I214-R223 CarbonylContact C-O 3.59Å; I214-R223 WeakPolarHBondContact CA-O 3.23Å; I214-L224 HydrophobicContact CG1-CD1 4.22Å; I214-L233 HydrophobicContact CD1-CD1 4.18Å; I214-L233 HydrophobicContact CG1-CD1 4.13Å; I214-L233 HydrophobicContact CG2-CD1 3.87Å |
| 215 | Q | 75.4 | Confident | 67.9 | Low | 13 Ų | 13 | 59.9 Ų | 59.9 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.2 | 179.4 | -59 | -166.3 | -50.9 | 0 | 0 | 110.5 | F77 H79 K213 V222 R223 V225 | F77-Q215 HydrophobicContact CD2-CB 3.97Å; F77-Q215 HydrophobicContact CD2-CG 4.05Å; F77-Q215 HydrophobicContact CE2-CB 3.96Å; F77-Q215 HydrophobicContact CE2-CG 3.82Å; H79-Q215 CarbonylContact O-C 3.39Å; H79-Q215 WeakPolarHBondContact O-CA 3.19Å; K213-Q215 HydrophobicContact CD-CG 4.24Å; K213-Q215 VanDerWaalsContact CE-NE2 3.32Å; K213-Q215 HydrophobicContact CG-CG 4.06Å; Q215-V222 CarbonylContact O-C 3.5Å; Q215-V222 VanDerWaalsContact O-CA 3.32Å; Q215-V222 WeakPolarHBondContact O-CA 3.29Å; Q215-R223 HydrophobicContact CB-CG 3.88Å; Q215-R223 PolarHBondContact N-O 3.31Å; Q215-R223 PolarHBondContact O-N 2.69Å; Q215-V225 HydrophobicContact CG-CG2 3.98Å |
| 216 | L | 78.7 | Confident | 69.4 | Low | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126.8 | 170.8 | -70.6 | 70 | 0 | 0 | 0 | 107.8 | V78 H79 Y81 F177 F180 I214 V222 | V78-L216 WeakPolarHBondContact CB-O 3.19Å; V78-L216 PolarHBondContact N-O 2.97Å; H79-L216 PolarHBondContact N-O 3.12Å; H79-L216 PolarHBondContact O-N 3.35Å; Y81-L216 HydrophobicContact CD2-CD1 3.54Å; Y81-L216 HydrophobicContact CE2-CD1 3.51Å; Y81-L216 HydrophobicContact CE2-CD2 4.01Å; Y81-L216 HydrophobicContact CE2-CG 4.46Å; F177-L216 HydrophobicContact CD1-CD2 3.46Å; F177-L216 VanDerWaalsContact CD1-CD2 3.46Å; F177-L216 HydrophobicContact CD1-CG 4.08Å; F177-L216 HydrophobicContact CE1-CD2 3.77Å; F177-L216 HydrophobicContact CE1-CG 3.99Å; F180-L216 HydrophobicContact CD2-CD1 4.13Å; F180-L216 HydrophobicContact CE2-CD1 4.28Å; I214-L216 HydrophobicContact CG2-CD1 4.47Å; L216-V222 HydrophobicContact CG-CG2 4.27Å |
| 217 | L | 77.2 | Confident | 70.5 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 160.5 | 179.6 | -55.8 | -179.2 | 0 | 0 | 0 | 110.3 | P75 Q76 F77 N219 Q220 E221 | P75-L217 HydrophobicContact CB-CB 4.21Å; P75-L217 HydrophobicContact CB-CD1 4.01Å; Q76-L217 WeakPolarHBondContact O-CA 2.96Å; F77-L217 HydrophobicContact CB-CD2 4.48Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 WeakPolarHBondContact CB-OD1 3.2Å; L217-N219 PolarHBondContact O-N 2.98Å; L217-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 VanDerWaalsContact O-N 3.09Å; L217-E221 HydrophobicContact CB-CB 4.33Å; L217-E221 WeakPolarHBondContact CB-O 3.12Å; L217-E221 HydrophobicContact CD1-CB 4.03Å; L217-E221 PolarHBondContact N-O 3.08Å |
| 218 | D | 75.3 | Confident | 71.7 | Confident | 73 Ų | 73 | 52.1 Ų | 52.1 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -28.4 | -177.1 | 57.8 | -7.7 | 0 | 0 | 0 | 113.6 | P75 Q76 V78 Q220 | P75-D218 WeakPolarHBondContact CA-OD1 3.3Å; Q76-D218 WeakPolarHBondContact CB-OD2 3.09Å; Q76-D218 PolarHBondContact N-OD1 3.07Å; Q76-D218 PolarHBondContact N-OD2 3.03Å; Q76-D218 PolarHBondContact O-N 3.21Å; V78-D218 HydrophobicContact CG2-CB 3.52Å; V78-D218 VanDerWaalsContact CG2-N 3.28Å; D218-Q220 PolarHBondContact O-N 2.64Å |
| 219 | N | 78.7 | Confident | 72.7 | Confident | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 6.2 | 171.2 | 70.7 | -18.2 | 0 | 0 | 0 | 113.9 | P75 L217 E221 | P75-N219 HydrophobicContact CB-CB 4.3Å; P75-N219 WeakPolarHBondContact CB-ND2 3.35Å; P75-N219 HydrophobicContact CG-CB 4.37Å; P75-N219 WeakPolarHBondContact CG-ND2 3.3Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 WeakPolarHBondContact CB-OD1 3.2Å; L217-N219 PolarHBondContact O-N 2.98Å; N219-E221 VanDerWaalsContact ND2-CG 3.34Å; N219-E221 WeakPolarHBondContact ND2-CG 3.5Å; N219-E221 PolarHBondContact ND2-OE1 3.18Å; N219-E221 PolarHBondContact ND2-OE2 2.85Å; N219-E221 PolarHBondContact O-N 2.79Å; N219-E221 WeakPolarHBondContact OD1-CB 3.14Å; N219-E221 PolarHBondContact OD1-N 2.95Å |
| 220 | Q | 71.1 | Confident | 74.1 | Confident | 78 Ų | 78 | 49.4 Ų | 49.4 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | S | Bend | trans | 70.9 | 8.9 | -176.1 | -56.5 | 165.9 | 63.4 | 0 | 0 | 115 | F177 L217 D218 | F177-Q220 HydrophobicContact CE2-CB 4.11Å; F177-Q220 HydrophobicContact CE2-CG 4.32Å; F177-Q220 HydrophobicContact CZ-CB 3.8Å; F177-Q220 HydrophobicContact CZ-CG 4.29Å; F177-Q220 WeakPolarHBondContact CZ-O 3.46Å; L217-Q220 PolarHBondContact O-N 3.48Å; L217-Q220 VanDerWaalsContact O-N 3.09Å; D218-Q220 PolarHBondContact O-N 2.64Å |
| 221 | E | 76.3 | Confident | 75.1 | Confident | 91 Ų | 91 | 44.1 Ų | 44.1 | 43% | 0.425 | 23% | 0.232 | S | C | . | . | trans | -71.8 | 147.3 | 167.1 | -73.5 | 173.3 | 175.1 | 0 | 0 | 110.4 | L217 N219 | L217-E221 HydrophobicContact CB-CB 4.33Å; L217-E221 WeakPolarHBondContact CB-O 3.12Å; L217-E221 HydrophobicContact CD1-CB 4.03Å; L217-E221 PolarHBondContact N-O 3.08Å; N219-E221 VanDerWaalsContact ND2-CG 3.34Å; N219-E221 WeakPolarHBondContact ND2-CG 3.5Å; N219-E221 PolarHBondContact ND2-OE1 3.18Å; N219-E221 PolarHBondContact ND2-OE2 2.85Å; N219-E221 PolarHBondContact O-N 2.79Å; N219-E221 WeakPolarHBondContact OD1-CB 3.14Å; N219-E221 PolarHBondContact OD1-N 2.95Å | ||
| 222 | V | 76.8 | Confident | 75.9 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.8 | 173.8 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | F175 F177 F180 I214 Q215 L216 L233 | F175-V222 HydrophobicContact CB-CB 4.47Å; F175-V222 HydrophobicContact CB-CG2 3.69Å; F175-V222 HydrophobicContact CD1-CB 4.25Å; F175-V222 HydrophobicContact CD1-CG2 3.51Å; F175-V222 HydrophobicContact CD2-CB 3.52Å; F175-V222 HydrophobicContact CD2-CG1 4.09Å; F175-V222 HydrophobicContact CD2-CG2 3.58Å; F175-V222 HydrophobicContact CE1-CB 4.47Å; F175-V222 HydrophobicContact CE1-CG1 4.26Å; F175-V222 HydrophobicContact CE1-CG2 4.06Å; F175-V222 HydrophobicContact CE2-CB 3.72Å; F175-V222 HydrophobicContact CE2-CG1 3.76Å; F175-V222 HydrophobicContact CE2-CG2 4.07Å; F175-V222 HydrophobicContact CG-CB 3.8Å; F175-V222 HydrophobicContact CG-CG1 4.44Å; F175-V222 HydrophobicContact CG-CG2 3.26Å; F175-V222 HydrophobicContact CZ-CB 4.2Å; F175-V222 HydrophobicContact CZ-CG1 3.85Å; F175-V222 HydrophobicContact CZ-CG2 4.29Å; F177-V222 HydrophobicContact CD1-CG2 4.34Å; F177-V222 HydrophobicContact CE1-CG2 3.59Å; F177-V222 HydrophobicContact CZ-CG2 4.23Å; F180-V222 HydrophobicContact CE2-CG1 4.24Å; I214-V222 HydrophobicContact CG2-CG1 3.36Å; Q215-V222 CarbonylContact O-C 3.5Å; Q215-V222 VanDerWaalsContact O-CA 3.32Å; Q215-V222 WeakPolarHBondContact O-CA 3.29Å; L216-V222 HydrophobicContact CG-CG2 4.27Å; V222-L233 HydrophobicContact CB-CB 4.36Å; V222-L233 HydrophobicContact CG1-CB 4.31Å; V222-L233 HydrophobicContact CG1-CD1 3.94Å; V222-L233 HydrophobicContact CG1-CG 4.49Å; V222-L233 PolarHBondContact O-N 2.97Å |
| 223 | R | 79.9 | Confident | 76.4 | Confident | 54 Ų | 54 | 45.1 Ų | 45.1 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.7 | 178.9 | 66.3 | 178.2 | -173.7 | -156 | -1.3 | 111.9 | I214 Q215 V225 F231 | I214-R223 CarbonylContact C-O 3.59Å; I214-R223 WeakPolarHBondContact CA-O 3.23Å; Q215-R223 HydrophobicContact CB-CG 3.88Å; Q215-R223 PolarHBondContact N-O 3.31Å; Q215-R223 PolarHBondContact O-N 2.69Å; R223-V225 HydrophobicContact CG-CG2 4.2Å; R223-F231 CarbonylContact C-O 3.48Å; R223-F231 WeakPolarHBondContact CA-O 3.49Å; R223-F231 WeakPolarHBondContact CB-O 3.19Å |
| 224 | L | 81 | Confident | 76.5 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.037 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 131.8 | 166.6 | 170.8 | 68.9 | 0 | 0 | 0 | 108.5 | I83 L192 I214 V226 F231 L233 A270 | I83-L224 HydrophobicContact CD1-CD1 3.72Å; L192-L224 HydrophobicContact CD1-CD2 3.48Å; L192-L224 VanDerWaalsContact CD1-CD2 3.48Å; L192-L224 HydrophobicContact CD2-CD2 3.64Å; L192-L224 HydrophobicContact CG-CD2 4.24Å; I214-L224 HydrophobicContact CG1-CD1 4.22Å; L224-V226 HydrophobicContact CD1-CG2 4.06Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.88Å; L224-F231 HydrophobicContact CB-CB 4.26Å; L224-F231 HydrophobicContact CD2-CD2 4.29Å; L224-F231 HydrophobicContact CG-CD2 4.32Å; L224-F231 PolarHBondContact N-O 2.84Å; L224-F231 PolarHBondContact O-N 3.42Å; L224-L233 HydrophobicContact CB-CD1 4.19Å; L224-L233 HydrophobicContact CB-CD2 3.73Å; L224-L233 HydrophobicContact CB-CG 4.03Å; L224-A270 HydrophobicContact CD2-CB 4.27Å |
| 225 | V | 76.8 | Confident | 76.2 | Confident | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.6 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | G212 K213 Q215 R223 A229 R230 | G212-V225 CarbonylContact C-O 3.59Å; G212-V225 WeakPolarHBondContact CA-O 3.38Å; K213-V225 HydrophobicContact CG-CB 3.98Å; K213-V225 PolarHBondContact N-O 3.39Å; K213-V225 PolarHBondContact O-N 3.37Å; Q215-V225 HydrophobicContact CG-CG2 3.98Å; R223-V225 HydrophobicContact CG-CG2 4.2Å; V225-A229 WeakPolarHBondContact CA-O 3.49Å; V225-R230 HydrophobicContact CG2-CG 4.45Å |
| 226 | V | 76 | Confident | 75.3 | Confident | 17 Ų | 17 | 45.6 Ų | 45.6 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 108.4 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 107.5 | L192 L194 F211 L224 D228 A229 F231 | L192-V226 HydrophobicContact CD2-CG2 4.41Å; L194-V226 HydrophobicContact CD1-CG1 4.26Å; L194-V226 HydrophobicContact CD2-CG2 4.49Å; F211-V226 HydrophobicContact CD2-CG1 4.15Å; F211-V226 HydrophobicContact CD2-CG2 3.95Å; F211-V226 HydrophobicContact CE2-CG2 3.9Å; L224-V226 HydrophobicContact CD1-CG2 4.06Å; L224-V226 HydrophobicContact CD2-CG2 4.09Å; L224-V226 HydrophobicContact CG-CG2 3.88Å; V226-D228 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact N-O 2.67Å; V226-A229 WeakPolarHBondContact O-CA 3.22Å; V226-A229 VanDerWaalsContact O-CB 3.3Å; V226-A229 WeakPolarHBondContact O-CB 3.21Å; V226-A229 PolarHBondContact O-N 3.36Å; V226-F231 HydrophobicContact CB-CE2 4.4Å; V226-F231 HydrophobicContact CG2-CE2 4.38Å |
| 227 | G | 71.9 | Confident | 74.4 | Confident | 64 Ų | 64 | 51.5 Ų | 51.5 | 66% | 0.66 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -122.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 228 | D | 69.8 | Low | 73.7 | Confident | 154 Ų | 154 | 56.2 Ų | 56.2 | 82% | 0.824 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -10.8 | 175.6 | -65.9 | -35.9 | 0 | 0 | 0 | 113.7 | V226 | V226-D228 PolarHBondContact O-N 2.93Š|
| 229 | A | 70 | Confident | 73.1 | Confident | 10 Ų | 10 | 55.2 Ų | 55.2 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L198 V225 V226 F231 Y277 | L198-A229 HydrophobicContact CD1-CB 4.42Å; L198-A229 HydrophobicContact CD2-CB 4.35Å; V225-A229 WeakPolarHBondContact CA-O 3.49Å; V226-A229 PolarHBondContact N-O 2.67Å; V226-A229 WeakPolarHBondContact O-CA 3.22Å; V226-A229 VanDerWaalsContact O-CB 3.3Å; V226-A229 WeakPolarHBondContact O-CB 3.21Å; V226-A229 PolarHBondContact O-N 3.36Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 4.08Å; A229-Y277 WeakPolarHBondContact CB-OH 3.01Å |
| 230 | R | 76.8 | Confident | 72.3 | Confident | 99 Ų | 99 | 57.9 Ų | 57.9 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 133.2 | 177.8 | -59.7 | -177.5 | -174.1 | 123.4 | 8.2 | 109.9 | V225 D273 | V225-R230 HydrophobicContact CG2-CG 4.45Å; R230-D273 PolarHBondContact O-N 2.91Å |
| 231 | F | 79.7 | Confident | 72 | Confident | 9 Ų | 9 | 58.2 Ų | 58.2 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.2 | 178.3 | -53.3 | -97.7 | 0 | 0 | 0 | 109.3 | L194 L198 R223 L224 V226 A229 L233 A270 V271 P272 | L194-F231 HydrophobicContact CD2-CZ 4.37Å; L198-F231 HydrophobicContact CD1-CE1 4.3Å; L198-F231 HydrophobicContact CD1-CE2 4.39Å; L198-F231 HydrophobicContact CD1-CZ 3.49Å; L198-F231 VanDerWaalsContact CD1-CZ 3.49Å; R223-F231 CarbonylContact C-O 3.48Å; R223-F231 WeakPolarHBondContact CA-O 3.49Å; R223-F231 WeakPolarHBondContact CB-O 3.19Å; L224-F231 HydrophobicContact CB-CB 4.26Å; L224-F231 HydrophobicContact CD2-CD2 4.29Å; L224-F231 HydrophobicContact CG-CD2 4.32Å; L224-F231 PolarHBondContact N-O 2.84Å; L224-F231 PolarHBondContact O-N 3.42Å; V226-F231 HydrophobicContact CB-CE2 4.4Å; V226-F231 HydrophobicContact CG2-CE2 4.38Å; A229-F231 HydrophobicContact CB-CE2 3.71Å; A229-F231 HydrophobicContact CB-CZ 4.08Å; F231-L233 PolarHBondContact O-N 2.79Å; F231-A270 HydrophobicContact CB-CB 3.91Å; F231-A270 HydrophobicContact CD1-CB 4.37Å; F231-A270 HydrophobicContact CG-CB 4.28Å; F231-V271 CarbonylContact C-O 3.49Å; F231-V271 WeakPolarHBondContact CA-O 3.18Å; F231-P272 HydrophobicContact CD1-CB 4.27Å; F231-P272 HydrophobicContact CD1-CG 3.98Å; F231-P272 HydrophobicContact CE1-CB 4.38Å; F231-P272 HydrophobicContact CE1-CG 3.96Å |
| 232 | N | 82.1 | Confident | 71.6 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127 | 169 | -66.3 | -28.6 | 0 | 0 | 0 | 108.4 | V271 | N232-V271 PolarHBondContact N-O 3.04Å; N232-V271 PolarHBondContact O-N 2.82Å |
| 233 | L | 79.6 | Confident | 71.4 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 117.6 | 175.1 | -63.2 | -172.7 | 0 | 0 | 0 | 109.1 | F175 I214 V222 L224 F231 A269 A270 | F175-L233 HydrophobicContact CD2-CB 4.41Å; F175-L233 HydrophobicContact CE2-CB 3.83Å; F175-L233 HydrophobicContact CE2-CD1 4.35Å; I214-L233 HydrophobicContact CD1-CD1 4.18Å; I214-L233 HydrophobicContact CG1-CD1 4.13Å; I214-L233 HydrophobicContact CG2-CD1 3.87Å; V222-L233 HydrophobicContact CB-CB 4.36Å; V222-L233 HydrophobicContact CG1-CB 4.31Å; V222-L233 HydrophobicContact CG1-CD1 3.94Å; V222-L233 HydrophobicContact CG1-CG 4.49Å; V222-L233 PolarHBondContact O-N 2.97Å; L224-L233 HydrophobicContact CB-CD1 4.19Å; L224-L233 HydrophobicContact CB-CD2 3.73Å; L224-L233 HydrophobicContact CB-CG 4.03Å; F231-L233 PolarHBondContact O-N 2.79Å; L233-A269 WeakPolarHBondContact CA-O 3.41Å; L233-A270 HydrophobicContact CD2-CB 3.68Å |
| 234 | S | 75.2 | Confident | 71.3 | Confident | 40 Ų | 40 | 60 Ų | 60 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 148.3 | 171.2 | 61.8 | 0 | 0 | 0 | 0 | 109.8 | P236 M268 A269 | S234-P236 WeakPolarHBondContact O-CD 3.28Å; S234-M268 CarbonylContact O-C 3.52Å; S234-M268 VanDerWaalsContact O-CA 3.23Å; S234-M268 WeakPolarHBondContact O-CA 3.22Å; S234-A269 PolarHBondContact N-O 3.48Å; S234-A269 PolarHBondContact O-N 3.11Å |
| 235 | C | 71.1 | Confident | 70.9 | Confident | 32 Ų | 32 | 61.4 Ų | 61.4 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | trans | -102.5 | 95.7 | 172.4 | -173.8 | 0 | 0 | 0 | 0 | 107.5 | R237 T267 | C235-R237 VanDerWaalsContact C-N 3.33Å; C235-R237 PolarHBondContact O-N 2.69Å; C235-T267 PolarHBondContact SG-O 2.9Å | ||
| 236 | P | 57.7 | Low | 71 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | trans | -75.3 | 86 | -177.3 | 31 | -35.1 | 0 | 0 | 0 | 110.2 | S234 T267 A269 | S234-P236 WeakPolarHBondContact O-CD 3.28Å; P236-T267 WeakPolarHBondContact CD-O 3.36Å; P236-A269 HydrophobicContact CG-CB 4.3Å | ||
| 237 | R | 59.7 | Low | 71.1 | Confident | 141 Ų | 141 | 66.9 Ų | 66.9 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 60.7 | 154.5 | 178 | -57.6 | -178.5 | -177.6 | 174.1 | 5.3 | 114.4 | C235 | C235-R237 VanDerWaalsContact C-N 3.33Å; C235-R237 PolarHBondContact O-N 2.69Å |
| 238 | P | 62.9 | Low | 71.6 | Confident | 107 Ų | 107 | 68.3 Ų | 68.3 | 70% | 0.695 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 142.8 | 161.1 | -19.5 | 32.3 | 0 | 0 | 0 | 109.3 | ||
| 239 | L | 62.9 | Low | 72 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.267 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 131.5 | 174.5 | -76.6 | 171.3 | 0 | 0 | 0 | 109.5 | I241 V264 T267 | L239-I241 WeakPolarHBondContact CB-O 3.49Å; L239-I241 PolarHBondContact O-N 3.38Å; L239-V264 HydrophobicContact CD1-CB 4.1Å; L239-V264 HydrophobicContact CD1-CG1 3.53Å; L239-T267 HydrophobicContact CD1-CG2 3.95Å; L239-T267 HydrophobicContact CD2-CG2 3.65Å; L239-T267 HydrophobicContact CG-CG2 3.92Å |
| 240 | P | 61.3 | Low | 72.5 | Confident | 117 Ų | 117 | 69.1 Ų | 69.1 | 76% | 0.76 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -21.3 | 178.9 | 27.5 | -33.8 | 0 | 0 | 0 | 112.1 | ||
| 241 | I | 64.9 | Low | 72.6 | Confident | 86 Ų | 86 | 71 Ų | 71 | 44% | 0.441 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 132 | -176.2 | -55.8 | 171.5 | 0 | 0 | 0 | 107.1 | L239 S243 | L239-I241 WeakPolarHBondContact CB-O 3.49Å; L239-I241 PolarHBondContact O-N 3.38Å; I241-S243 PolarHBondContact O-N 3.44Å |
| 242 | A | 67.8 | Low | 72.4 | Confident | 63 Ų | 63 | 73.7 Ų | 73.7 | 52% | 0.521 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 123.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | M148 | M148-A242 HydrophobicContact CE-CB 3.96Å |
| 243 | S | 71.8 | Confident | 72.1 | Confident | 52 Ų | 52 | 76.3 Ų | 76.3 | 36% | 0.364 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.1 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 109.8 | I241 H263 V264 | I241-S243 PolarHBondContact O-N 3.44Å; S243-H263 CarbonylContact O-C 3.52Å; S243-V264 PolarHBondContact O-N 2.92Å |
| 244 | D | 77.5 | Confident | 72.2 | Confident | 71 Ų | 71 | 83.7 Ų | 83.7 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 144.3 | 174.1 | -70.7 | 1.6 | 0 | 0 | 0 | 109.8 | V246 H263 | D244-V246 HydrophobicContact CB-CG2 4.4Å; D244-H263 IonicContact OD1-CE1 3.42Å; D244-H263 PolarHBondContact OD1-CE1 3.49Å; D244-H263 IonicContact OD1-CG 3.79Å; D244-H263 IonicContact OD1-ND1 2.67Å; D244-H263 PolarHBondContact OD1-ND1 2.88Å; D244-H263 IonicContact OD2-CE1 3.78Å; D244-H263 IonicContact OD2-ND1 3.79Å |
| 245 | V | 74.3 | Confident | 72.2 | Confident | 35 Ų | 35 | 87 Ų | 87 | 21% | 0.212 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 119.7 | 167.6 | -169.7 | 0 | 0 | 0 | 0 | 107.6 | L189 I261 G262 V264 | L189-V245 HydrophobicContact CD2-CB 4.4Å; L189-V245 HydrophobicContact CD2-CG1 3.81Å; L189-V245 HydrophobicContact CD2-CG2 3.85Å; V245-I261 HydrophobicContact CB-CD1 4.32Å; V245-I261 HydrophobicContact CB-CG1 3.76Å; V245-I261 HydrophobicContact CG1-CD1 3.59Å; V245-I261 HydrophobicContact CG1-CG1 3.57Å; V245-I261 WeakPolarHBondContact O-CG1 3.33Å; V245-I261 PolarHBondContact O-N 3.21Å; V245-G262 PolarHBondContact N-O 2.73Å; V245-V264 HydrophobicContact CG2-CG2 3.37Å |
| 246 | V | 77 | Confident | 72.7 | Confident | 65 Ų | 65 | 90.5 Ų | 90.5 | 39% | 0.394 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.1 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | D244 V248 L258 E259 | D244-V246 HydrophobicContact CB-CG2 4.4Å; V246-V248 PolarHBondContact O-N 3.13Å; V246-L258 HydrophobicContact CG1-CB 3.88Å; V246-L258 HydrophobicContact CG1-CD2 4.15Å; V246-E259 CarbonylContact C-O 3.54Å; V246-E259 WeakPolarHBondContact CA-O 3.43Å |
| 247 | L | 78.7 | Confident | 73.6 | Confident | 82 Ų | 82 | 92 Ų | 92 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.8 | 166.4 | 178.2 | 65.4 | 0 | 0 | 0 | 108.2 | L258 E259 I261 | L247-L258 WeakPolarHBondContact O-CA 3.49Å; L247-E259 HydrophobicContact CB-CB 4.33Å; L247-E259 PolarHBondContact N-O 2.66Å; L247-E259 PolarHBondContact O-N 2.91Å; L247-I261 HydrophobicContact CB-CG2 3.88Å |
| 248 | V | 83.7 | Confident | 74.8 | Confident | 95 Ų | 95 | 90.7 Ų | 90.7 | 58% | 0.576 | 52% | 0.515 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 112.7 | 174 | -174.2 | 0 | 0 | 0 | 0 | 107.3 | V246 I256 L258 | V246-V248 PolarHBondContact O-N 3.13Å; V248-I256 HydrophobicContact CG1-CG2 3.68Å; V248-L258 HydrophobicContact CB-CD2 4.19Å; V248-L258 HydrophobicContact CG1-CD2 3.95Å; V248-L258 HydrophobicContact CG2-CD2 3.73Å |
| 249 | N | 78.1 | Confident | 75.4 | Confident | 61 Ų | 61 | 91.6 Ų | 91.6 | 33% | 0.326 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.4 | 177.3 | -169.6 | 5.8 | 0 | 0 | 0 | 110.3 | D251 C257 | N249-D251 PolarHBondContact ND2-OD2 2.91Å; N249-D251 PolarHBondContact OD1-OD1 2.68Å; N249-D251 VanDerWaalsContact OD1-OD1 3.11Å; N249-C257 HydrophobicContact CB-CB 4.37Å; N249-C257 PolarHBondContact N-O 2.77Å; N249-C257 PolarHBondContact O-N 2.89Å |
| 250 | Q | 80 | Confident | 76.1 | Confident | 120 Ų | 120 | 92.3 Ų | 92.3 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 68.5 | 178.1 | -167.7 | -179.4 | 12.2 | 0 | 0 | 109.5 | N252 I256 | Q250-N252 WeakPolarHBondContact CG-O 3.45Å; Q250-N252 PolarHBondContact O-N 2.76Å; Q250-I256 HydrophobicContact CG-CG1 4.23Å |
| 251 | D | 77.8 | Confident | 76.8 | Confident | 139 Ų | 139 | 89.7 Ų | 89.7 | 74% | 0.743 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | -19.8 | 173.5 | -68.3 | -37.4 | 0 | 0 | 0 | 112.3 | N249 | N249-D251 PolarHBondContact ND2-OD2 2.91Å; N249-D251 PolarHBondContact OD1-OD1 2.68Å; N249-D251 VanDerWaalsContact OD1-OD1 3.11Å |
| 252 | N | 75.3 | Confident | 77 | Confident | 65 Ų | 65 | 87 Ų | 87 | 35% | 0.348 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.1 | 177.9 | -178.6 | -30.3 | 0 | 0 | 0 | 109.5 | Q250 E254 L255 | Q250-N252 WeakPolarHBondContact CG-O 3.45Å; Q250-N252 PolarHBondContact O-N 2.76Å; N252-E254 PolarHBondContact O-N 3.33Å; N252-E254 VanDerWaalsContact O-N 3.1Å; N252-E254 WeakPolarHBondContact OD1-CB 3.42Å; N252-E254 PolarHBondContact OD1-N 3.06Å; N252-L255 HydrophobicContact CB-CB 4.2Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 PolarHBondContact O-N 3.12Å; N252-L255 VanDerWaalsContact O-N 3.08Å |
| 253 | P | 76.7 | Confident | 77.2 | Confident | 116 Ų | 116 | 90.1 Ų | 90.1 | 75% | 0.753 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | 179.3 | 23 | -34 | 0 | 0 | 0 | 113.9 | ||
| 254 | E | 81.6 | Confident | 77.2 | Confident | 174 Ų | 174 | 89.7 Ų | 89.7 | 81% | 0.813 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -11.7 | -179.9 | -59.6 | -176.8 | 173 | 0 | 0 | 113.8 | N252 | N252-E254 PolarHBondContact O-N 3.33Å; N252-E254 VanDerWaalsContact O-N 3.1Å; N252-E254 WeakPolarHBondContact OD1-CB 3.42Å; N252-E254 PolarHBondContact OD1-N 3.06Å |
| 255 | L | 76.2 | Confident | 76.7 | Confident | 109 Ų | 109 | 93.3 Ų | 93.3 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 125 | -175 | -63.8 | 171.8 | 0 | 0 | 0 | 111.6 | N252 | N252-L255 HydrophobicContact CB-CB 4.2Å; N252-L255 CarbonylContact O-C 3.56Å; N252-L255 PolarHBondContact O-N 3.12Å; N252-L255 VanDerWaalsContact O-N 3.08Å |
| 256 | I | 81.5 | Confident | 76.5 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 54% | 0.538 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.8 | 169.9 | -60.7 | 171.7 | 0 | 0 | 0 | 107.8 | V248 Q250 L258 | V248-I256 HydrophobicContact CG1-CG2 3.68Å; Q250-I256 HydrophobicContact CG-CG1 4.23Å; I256-L258 HydrophobicContact CG2-CD2 3.95Å; I256-L258 HydrophobicContact CG2-CG 4.42Å |
| 257 | C | 76.7 | Confident | 76.2 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 52% | 0.52 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 124.6 | 174 | -69.2 | 0 | 0 | 0 | 0 | 109.3 | N249 | N249-C257 HydrophobicContact CB-CB 4.37Å; N249-C257 PolarHBondContact N-O 2.77Å; N249-C257 PolarHBondContact O-N 2.89Å |
| 258 | L | 83.2 | Confident | 75.9 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 60% | 0.602 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.9 | 174.4 | -59.3 | 179.7 | 0 | 0 | 0 | 109 | V246 L247 V248 I256 | V246-L258 HydrophobicContact CG1-CB 3.88Å; V246-L258 HydrophobicContact CG1-CD2 4.15Å; L247-L258 WeakPolarHBondContact O-CA 3.49Å; V248-L258 HydrophobicContact CB-CD2 4.19Å; V248-L258 HydrophobicContact CG1-CD2 3.95Å; V248-L258 HydrophobicContact CG2-CD2 3.73Å; I256-L258 HydrophobicContact CG2-CD2 3.95Å; I256-L258 HydrophobicContact CG2-CG 4.42Å |
| 259 | E | 76 | Confident | 75.5 | Confident | 125 Ų | 125 | 89.8 Ų | 89.8 | 58% | 0.584 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.5 | 176.9 | -177.9 | 174.5 | -169 | 0 | 0 | 110.1 | V246 L247 I261 | V246-E259 CarbonylContact C-O 3.54Å; V246-E259 WeakPolarHBondContact CA-O 3.43Å; L247-E259 HydrophobicContact CB-CB 4.33Å; L247-E259 PolarHBondContact N-O 2.66Å; L247-E259 PolarHBondContact O-N 2.91Å; E259-I261 HydrophobicContact CG-CG2 4.29Å; E259-I261 PolarHBondContact O-N 3.41Å |
| 260 | C | 78.6 | Confident | 75.5 | Confident | 67 Ų | 67 | 88.7 Ų | 88.7 | 45% | 0.453 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 116.8 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 261 | I | 75.3 | Confident | 75.5 | Confident | 62 Ų | 62 | 86.4 Ų | 86.4 | 32% | 0.318 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -8.3 | -176.1 | 62.3 | 172.7 | 0 | 0 | 0 | 113.3 | V245 L247 E259 | V245-I261 HydrophobicContact CB-CD1 4.32Å; V245-I261 HydrophobicContact CB-CG1 3.76Å; V245-I261 HydrophobicContact CG1-CD1 3.59Å; V245-I261 HydrophobicContact CG1-CG1 3.57Å; V245-I261 WeakPolarHBondContact O-CG1 3.33Å; V245-I261 PolarHBondContact O-N 3.21Å; L247-I261 HydrophobicContact CB-CG2 3.88Å; E259-I261 HydrophobicContact CG-CG2 4.29Å; E259-I261 PolarHBondContact O-N 3.41Å |
| 262 | G | 69.1 | Low | 75.5 | Confident | 28 Ų | 28 | 82.3 Ų | 82.3 | 29% | 0.289 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.8 | 173.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V245 | V245-G262 PolarHBondContact N-O 2.73Å |
| 263 | H | 72.2 | Confident | 75.3 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 60% | 0.597 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 136.2 | 176.6 | -55.7 | -66.1 | 0 | 0 | 0 | 110.1 | S243 D244 | S243-H263 CarbonylContact O-C 3.52Å; D244-H263 IonicContact OD1-CE1 3.42Å; D244-H263 PolarHBondContact OD1-CE1 3.49Å; D244-H263 IonicContact OD1-CG 3.79Å; D244-H263 IonicContact OD1-ND1 2.67Å; D244-H263 PolarHBondContact OD1-ND1 2.88Å; D244-H263 IonicContact OD2-CE1 3.78Å; D244-H263 IonicContact OD2-ND1 3.79Å |
| 264 | V | 71.6 | Confident | 75.1 | Confident | 43 Ų | 43 | 81.1 Ų | 81.1 | 26% | 0.261 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 109 | 174.6 | -168.1 | 0 | 0 | 0 | 0 | 108.5 | L239 S243 V245 | L239-V264 HydrophobicContact CD1-CB 4.1Å; L239-V264 HydrophobicContact CD1-CG1 3.53Å; S243-V264 PolarHBondContact O-N 2.92Å; V245-V264 HydrophobicContact CG2-CG2 3.37Å |
| 265 | E | 68.3 | Low | 74.5 | Confident | 148 Ų | 148 | 80.2 Ų | 80.2 | 69% | 0.692 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -27 | 178 | -61.7 | -178.2 | 171.4 | 0 | 0 | 112.4 | ||
| 266 | Q | 68.6 | Low | 73.8 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 34% | 0.341 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 146.9 | -169.9 | -63.3 | -179.6 | 7.2 | 0 | 0 | 111.2 | ||
| 267 | T | 70.3 | Confident | 72.9 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 31% | 0.307 | 41% | 0.408 | S | S | . | . | trans | -117.1 | 153.6 | 170.8 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | C235 P236 L239 | C235-T267 PolarHBondContact SG-O 2.9Å; P236-T267 WeakPolarHBondContact CD-O 3.36Å; L239-T267 HydrophobicContact CD1-CG2 3.95Å; L239-T267 HydrophobicContact CD2-CG2 3.65Å; L239-T267 HydrophobicContact CG-CG2 3.92Å | ||
| 268 | M | 73.4 | Confident | 72 | Confident | 59 Ų | 59 | 76.4 Ų | 76.4 | 29% | 0.291 | 41% | 0.413 | S | S | . | . | trans | -131.2 | 143 | 173 | -63.5 | -177.1 | -67.8 | 0 | 0 | 109.1 | F175 L179 F190 S234 | F175-M268 HydrophobicContact CE1-SD 4.49Å; F175-M268 HydrophobicContact CE2-SD 3.54Å; F175-M268 VanDerWaalsContact CE2-SD 3.54Å; F175-M268 HydrophobicContact CZ-SD 3.37Å; F175-M268 WeakPolarHBondContact CZ-SD 3.43Å; L179-M268 HydrophobicContact CD1-CE 4.32Å; L179-M268 HydrophobicContact CD1-CG 4.45Å; L179-M268 HydrophobicContact CD1-SD 3.77Å; F190-M268 HydrophobicContact CD1-CE 3.63Å; F190-M268 HydrophobicContact CE1-CE 3.46Å; F190-M268 VanDerWaalsContact CE1-CE 3.46Å; S234-M268 CarbonylContact O-C 3.52Å; S234-M268 VanDerWaalsContact O-CA 3.23Å; S234-M268 WeakPolarHBondContact O-CA 3.22Å | ||
| 269 | A | 75.8 | Confident | 70.8 | Confident | 21 Ų | 21 | 77.4 Ų | 77.4 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.8 | 172 | 0 | 0 | 0 | 0 | 0 | 109.4 | L233 S234 P236 | L233-A269 WeakPolarHBondContact CA-O 3.41Å; S234-A269 PolarHBondContact N-O 3.48Å; S234-A269 PolarHBondContact O-N 3.11Å; P236-A269 HydrophobicContact CG-CB 4.3Å |
| 270 | A | 78.3 | Confident | 69.6 | Low | 37 Ų | 37 | 77.2 Ų | 77.2 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109 | L192 L224 F231 L233 | L192-A270 HydrophobicContact CD1-CB 4.21Å; L224-A270 HydrophobicContact CD2-CB 4.27Å; F231-A270 HydrophobicContact CB-CB 3.91Å; F231-A270 HydrophobicContact CD1-CB 4.37Å; F231-A270 HydrophobicContact CG-CB 4.28Å; L233-A270 HydrophobicContact CD2-CB 3.68Å |
| 271 | V | 79.6 | Confident | 68 | Low | 73 Ų | 73 | 77.4 Ų | 77.4 | 44% | 0.442 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 123 | -178.3 | -175.3 | 0 | 0 | 0 | 0 | 109 | F231 N232 D273 | F231-V271 CarbonylContact C-O 3.49Å; F231-V271 WeakPolarHBondContact CA-O 3.18Å; N232-V271 PolarHBondContact N-O 3.04Å; N232-V271 PolarHBondContact O-N 2.82Å; V271-D273 PolarHBondContact O-N 3.49Å |
| 272 | P | 76.6 | Confident | 66.3 | Low | 53 Ų | 53 | 86 Ų | 86 | 34% | 0.344 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 134.9 | 176.6 | -23.7 | 31.9 | 0 | 0 | 0 | 111.3 | F231 L274 Y277 | F231-P272 HydrophobicContact CD1-CB 4.27Å; F231-P272 HydrophobicContact CD1-CG 3.98Å; F231-P272 HydrophobicContact CE1-CB 4.38Å; F231-P272 HydrophobicContact CE1-CG 3.96Å; P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 HydrophobicContact CB-CD2 4.39Å; P272-L274 PolarHBondContact O-N 3.08Å; P272-Y277 HydrophobicContact CB-CD2 4.04Å; P272-Y277 HydrophobicContact CB-CE2 3.83Å |
| 273 | D | 72.5 | Confident | 66.1 | Low | 31 Ų | 31 | 88.9 Ų | 88.9 | 17% | 0.166 | 47% | 0.474 | C | S | . | . | trans | -73 | 87.2 | 172.6 | 176.3 | 6.3 | 0 | 0 | 0 | 109.7 | R230 V271 E275 T276 Y277 | R230-D273 PolarHBondContact O-N 2.91Å; V271-D273 PolarHBondContact O-N 3.49Å; D273-E275 PolarHBondContact O-N 3.44Å; D273-E275 WeakPolarHBondContact OD1-CB 3.34Å; D273-E275 PolarHBondContact OD1-N 3.1Å; D273-T276 WeakPolarHBondContact O-CA 3.36Å; D273-T276 WeakPolarHBondContact O-CB 3.48Å; D273-T276 PolarHBondContact O-N 3.15Å; D273-T276 PolarHBondContact OD1-N 2.86Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 3.49Å; D273-Y277 VanDerWaalsContact O-CD2 3.27Å; D273-Y277 WeakPolarHBondContact O-CD2 3.34Å; D273-Y277 PolarHBondContact O-N 2.94Å | ||
| 274 | L | 71.7 | Confident | 65.8 | Low | 124 Ų | 124 | 86.8 Ų | 86.8 | 65% | 0.649 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.2 | -29.7 | -176.7 | -64.4 | -179.3 | 0 | 0 | 0 | 112.4 | P272 T276 Y277 V278 | P272-L274 VanDerWaalsContact C-N 3.29Å; P272-L274 HydrophobicContact CB-CD2 4.39Å; P272-L274 PolarHBondContact O-N 3.08Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.16Å; L274-Y277 PolarHBondContact O-N 3.04Å; L274-V278 WeakPolarHBondContact O-CB 3.02Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.41Å |
| 275 | E | 68.6 | Low | 65.5 | Low | 156 Ų | 156 | 89.2 Ų | 89.2 | 73% | 0.729 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.6 | -43.6 | 174.1 | -67.2 | -170.3 | 176.4 | 0 | 0 | 110.6 | D273 H279 | D273-E275 PolarHBondContact O-N 3.44Å; D273-E275 WeakPolarHBondContact OD1-CB 3.34Å; D273-E275 PolarHBondContact OD1-N 3.1Å; E275-H279 PolarHBondContact O-CE1 3.01Å; E275-H279 PolarHBondContact O-ND1 3Å |
| 276 | T | 61.5 | Low | 65.3 | Low | 37 Ų | 37 | 85.8 Ų | 85.8 | 23% | 0.227 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 174.1 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | D273 L274 H279 | D273-T276 WeakPolarHBondContact O-CA 3.36Å; D273-T276 WeakPolarHBondContact O-CB 3.48Å; D273-T276 PolarHBondContact O-N 3.15Å; D273-T276 PolarHBondContact OD1-N 2.86Å; D273-T276 WeakPolarHBondContact OD2-CB 3.2Å; D273-T276 PolarHBondContact OD2-OG1 3.49Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.16Å; T276-H279 PolarHBondContact O-N 3Å |
| 277 | Y | 62.5 | Low | 65.1 | Low | 70 Ų | 70 | 86.6 Ų | 86.6 | 28% | 0.275 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70 | -33.1 | -180 | -83 | -82.4 | 0 | 0 | 0 | 114.2 | A229 P272 D273 L274 H279 L280 | A229-Y277 WeakPolarHBondContact CB-OH 3.01Å; P272-Y277 HydrophobicContact CB-CD2 4.04Å; P272-Y277 HydrophobicContact CB-CE2 3.83Å; D273-Y277 VanDerWaalsContact O-CD2 3.27Å; D273-Y277 WeakPolarHBondContact O-CD2 3.34Å; D273-Y277 PolarHBondContact O-N 2.94Å; L274-Y277 PolarHBondContact O-N 3.04Å; Y277-H279 PolarHBondContact O-N 3.31Å; Y277-L280 HydrophobicContact CD1-CD1 3.92Å; Y277-L280 HydrophobicContact CE1-CD1 4.24Å; Y277-L280 HydrophobicContact CG-CD1 4.5Å; Y277-L280 WeakPolarHBondContact O-CB 3.48Å; Y277-L280 PolarHBondContact O-N 3.38Å |
| 278 | V | 59.6 | Low | 64.8 | Low | 103 Ų | 103 | 89 Ų | 89 | 62% | 0.624 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.7 | -25.4 | 176 | 169 | 0 | 0 | 0 | 0 | 111.7 | L274 | L274-V278 WeakPolarHBondContact O-CB 3.02Å; L274-V278 WeakPolarHBondContact O-CG2 3.43Å; L274-V278 PolarHBondContact O-N 3.41Å |
| 279 | H | 56.9 | Low | 64.1 | Low | 137 Ų | 137 | 91.1 Ų | 91.1 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -11.8 | 175.2 | -65.2 | 90.7 | 0 | 0 | 0 | 114.1 | E275 T276 Y277 | E275-H279 PolarHBondContact O-CE1 3.01Å; E275-H279 PolarHBondContact O-ND1 3Å; T276-H279 PolarHBondContact O-N 3Å; Y277-H279 PolarHBondContact O-N 3.31Å |
| 280 | L | 50.4 | Low | 63.3 | Low | 120 Ų | 120 | 96.5 Ų | 96.5 | 63% | 0.628 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -12.4 | 177.2 | -69.5 | 169.2 | 0 | 0 | 0 | 113 | Y277 | Y277-L280 HydrophobicContact CD1-CD1 3.92Å; Y277-L280 HydrophobicContact CE1-CD1 4.24Å; Y277-L280 HydrophobicContact CG-CD1 4.5Å; Y277-L280 WeakPolarHBondContact O-CB 3.48Å; Y277-L280 PolarHBondContact O-N 3.38Å |
| 281 | G | 46.3 | Very low | 62 | Low | 72 Ų | 72 | 101.5 Ų | 101.5 | 74% | 0.742 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 17.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 282 | K | 38 | Very low | 60.4 | Low | 242 Ų | 242 | 104.1 Ų | 104.1 | 100% | 1.052 | 55% | 0.552 | S | S | * | * | trans | -120.3 | 0 | 171.6 | -70.1 | -174.2 | -179.5 | 178.2 | 0 | 109.6 |
Retrieved 282 of 282 residues in 416.8 ms
(Link to these results)