| 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 | 44.2 | Very low | 41.3 | Very low | 242 Ų | 242 | 145.6 Ų | 145.6 | 100% | 1.192 | 85% | 0.847 | S | S | * | * | 0 | 77.9 | 0 | -69.9 | -76 | -131.9 | 0 | 0 | 108.3 | |||||
| 2 | L | 40.2 | Very low | 41.6 | Very low | 176 Ų | 176 | 143.4 Ų | 143.4 | 92% | 0.921 | 85% | 0.846 | S | S | * | * | trans | -118 | 114.7 | 167.4 | -103 | 88.9 | 0 | 0 | 0 | 106.4 | ||||
| 3 | G | 38.8 | Very low | 42 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -76 | 127.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | V | 41.5 | Very low | 42.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 76% | 0.764 | 84% | 0.836 | S | S | * | * | trans | -79.7 | 116 | 169.1 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | L6 | V4-L6 HydrophobicContact CG1-CD1 4.18Å; V4-L6 PolarHBondContact O-N 3.48Å | ||
| 5 | V | 43.2 | Very low | 42 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 76% | 0.758 | 83% | 0.827 | S | S | * | * | trans | -83 | 108.7 | 170.7 | 174.9 | 0 | 0 | 0 | 0 | 107.6 | L7 | V5-L7 PolarHBondContact O-N 3.45Š| ||
| 6 | L | 39.1 | Very low | 42.4 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | trans | -82.8 | 106.9 | 173.1 | -126.7 | 91.5 | 0 | 0 | 0 | 108.9 | V4 | V4-L6 HydrophobicContact CG1-CD1 4.18Å; V4-L6 PolarHBondContact O-N 3.48Å | ||
| 7 | L | 41.9 | Very low | 42.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 80% | 0.796 | 83% | 0.826 | S | S | * | * | trans | -86.6 | 108.8 | 168.9 | -88.7 | 152.3 | 0 | 0 | 0 | 108.9 | V5 L9 | V5-L7 PolarHBondContact O-N 3.45Å; L7-L9 PolarHBondContact O-N 3.44Å | ||
| 8 | L | 41.1 | Very low | 43.1 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | trans | -78.2 | 104.2 | 171.5 | -73.9 | 163.6 | 0 | 0 | 0 | 109.2 | ||||
| 9 | L | 40.4 | Very low | 43.8 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 111.1 | 170 | -76.1 | 158.7 | 0 | 0 | 0 | 109.1 | L7 S11 | L7-L9 PolarHBondContact O-N 3.44Å; L9-S11 PolarHBondContact O-N 3.46Å | ||
| 10 | S | 42.6 | Very low | 44.7 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -75.2 | 108.3 | 171.4 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | S12 | S10-S12 PolarHBondContact O-N 3.42Š| ||
| 11 | S | 41.3 | Very low | 45.4 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -80 | 108.4 | 173.1 | 56 | 0 | 0 | 0 | 0 | 110.6 | L9 | L9-S11 PolarHBondContact O-N 3.46Š| ||
| 12 | S | 45.7 | Very low | 46.1 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -80.1 | 115.4 | 166.1 | 36.3 | 0 | 0 | 0 | 0 | 109.8 | S10 | S10-S12 PolarHBondContact O-N 3.42Š| ||
| 13 | S | 46.1 | Very low | 47.1 | Very low | 108 Ų | 108 | 121.2 Ų | 121.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 134.6 | 172.1 | -47.2 | 0 | 0 | 0 | 0 | 110 | G15 | S13-G15 PolarHBondContact O-N 3.47Š| ||
| 14 | P | 45 | Very low | 48.6 | Very low | 122 Ų | 122 | 123 Ų | 123 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -71.3 | 113.4 | 166.8 | 28.7 | -29.1 | 0 | 0 | 0 | 107.9 | V16 | P14-V16 PolarHBondContact O-N 3.44Š| ||
| 15 | G | 39.8 | Very low | 49.8 | Very low | 68 Ų | 68 | 123.5 Ų | 123.5 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -61.4 | 126.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S13 T17 | S13-G15 PolarHBondContact O-N 3.47Å; G15-T17 PolarHBondContact O-N 3.44Å; G15-T17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | V | 47.2 | Very low | 51.2 | Low | 139 Ų | 139 | 122 Ų | 122 | 84% | 0.842 | 77% | 0.771 | S | S | * | * | trans | -67.8 | 107.1 | 167.5 | 176.1 | 0 | 0 | 0 | 0 | 107.3 | P14 V18 | P14-V16 PolarHBondContact O-N 3.44Å; V16-V18 PolarHBondContact O-N 3.47Å | ||
| 17 | T | 47.1 | Very low | 52.8 | Low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -72.4 | 110 | 172.4 | 45.6 | 0 | 0 | 0 | 0 | 109.3 | G15 | G15-T17 PolarHBondContact O-N 3.44Å; G15-T17 VanDerWaalsContact O-N 3.14Å | ||
| 18 | V | 50.8 | Low | 54 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 123.5 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | V16 | V16-V18 PolarHBondContact O-N 3.47Š|
| 19 | P | 56.6 | Low | 55.2 | Low | 96 Ų | 96 | 120.4 Ų | 120.4 | 62% | 0.623 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.6 | 177.6 | 22.7 | -22.7 | 0 | 0 | 0 | 111.3 | ||
| 20 | P | 62.6 | Low | 56.3 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65 | 158.1 | -176.7 | 25.5 | -33.3 | 0 | 0 | 0 | 112.8 | N22 | P20-N22 PolarHBondContact O-N 3.41Š|
| 21 | P | 57.7 | Low | 57.1 | Low | 130 Ų | 130 | 120.8 Ų | 120.8 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -2.7 | -165.8 | -15 | 27.9 | 0 | 0 | 0 | 116.2 | ||
| 22 | N | 58.7 | Low | 57.5 | Low | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 21.5 | -170.3 | -73.9 | -8.9 | 0 | 0 | 0 | 113.5 | P20 | P20-N22 PolarHBondContact O-N 3.41Š|
| 23 | A | 61.7 | Low | 57.9 | Low | 70 Ų | 70 | 121.9 Ų | 121.9 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 126.7 | 169 | 0 | 0 | 0 | 0 | 0 | 109.8 | C25 | A23-C25 PolarHBondContact O-N 3.31Š|
| 24 | P | 70.1 | Confident | 58.3 | Low | 115 Ų | 115 | 122.5 Ų | 122.5 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 128.8 | 175.3 | 24.6 | -31 | 0 | 0 | 0 | 110.1 | S26 | P24-S26 PolarHBondContact O-N 3.45Š|
| 25 | C | 67.3 | Low | 58.7 | Low | 136 Ų | 136 | 121.4 Ų | 121.4 | 92% | 0.919 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.6 | 178.9 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | A23 | A23-C25 PolarHBondContact O-N 3.31Š|
| 26 | S | 73 | Confident | 58.9 | Low | 93 Ų | 93 | 127.9 Ų | 127.9 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 136.2 | 176.5 | -20.5 | 0 | 0 | 0 | 0 | 109.3 | P24 | P24-S26 PolarHBondContact O-N 3.45Š|
| 27 | R | 72.4 | Confident | 58.8 | Low | 208 Ų | 208 | 125 Ų | 125 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 142.8 | 168.2 | -87.9 | 175.5 | 154.6 | -175.6 | -6.7 | 108.1 | C29 D30 | R27-C29 PolarHBondContact O-N 3.26Å; R27-D30 PolarHBondContact N-OD2 2.92Å; R27-D30 PolarHBondContact O-N 2.87Å; R27-D30 VanDerWaalsContact O-N 3.16Å |
| 28 | C | 67.8 | Low | 58.5 | Low | 134 Ų | 134 | 124.7 Ų | 124.7 | 91% | 0.905 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | -8 | -178.5 | -61 | 0 | 0 | 0 | 0 | 115.1 | ||
| 29 | C | 65.6 | Low | 57.9 | Low | 83 Ų | 83 | 122 Ų | 122 | 56% | 0.561 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 5.8 | -175.4 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | R27 H31 M32 | R27-C29 PolarHBondContact O-N 3.26Å; C29-H31 PolarHBondContact O-N 3.47Å; C29-M32 HydrophobicContact CB-CE 4.29Å; C29-M32 PolarHBondContact O-N 3.15Å |
| 30 | D | 63.1 | Low | 57.1 | Low | 107 Ų | 107 | 125.1 Ų | 125.1 | 57% | 0.572 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -1.6 | -175.7 | -65.3 | -21.8 | 0 | 0 | 0 | 113.7 | R27 | R27-D30 PolarHBondContact N-OD2 2.92Å; R27-D30 PolarHBondContact O-N 2.87Å; R27-D30 VanDerWaalsContact O-N 3.16Å |
| 31 | H | 59.7 | Low | 56.4 | Low | 187 Ų | 187 | 125.5 Ų | 125.5 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 1.7 | 176.4 | -71.7 | -52.8 | 0 | 0 | 0 | 115.1 | C29 | C29-H31 PolarHBondContact O-N 3.47Š|
| 32 | M | 49.7 | Very low | 55.7 | Low | 141 Ų | 141 | 125.3 Ų | 125.3 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -92.1 | 126.8 | 175 | -88 | -178 | -82.6 | 0 | 0 | 111.3 | C29 | C29-M32 HydrophobicContact CB-CE 4.29Å; C29-M32 PolarHBondContact O-N 3.15Å |
| 33 | P | 54.3 | Low | 54.7 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.6 | 171.5 | 25.6 | -31 | 0 | 0 | 0 | 109.8 | ||
| 34 | P | 54.6 | Low | 53.5 | Low | 120 Ų | 120 | 125.1 Ų | 125.1 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.2 | 177.6 | 2.4 | 4.8 | 0 | 0 | 0 | 110.8 | E36 | P34-E36 PolarHBondContact O-N 3.08Š|
| 35 | A | 52.6 | Low | 51.9 | Low | 100 Ų | 100 | 124.5 Ų | 124.5 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 123.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | G37 | A35-G37 PolarHBondContact O-N 3.33Š|
| 36 | E | 45.3 | Very low | 50.5 | Low | 204 Ų | 204 | 128.4 Ų | 128.4 | 95% | 0.953 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 113.5 | 171.2 | -70.5 | -173.9 | 154.2 | 0 | 0 | 109.4 | P34 | P34-E36 PolarHBondContact O-N 3.08Š| ||
| 37 | G | 44.7 | Very low | 48.8 | Very low | 77 Ų | 77 | 128.1 Ų | 128.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 173.3 | 78.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A35 | A35-G37 PolarHBondContact O-N 3.33Š| ||
| 38 | S | 39.6 | Very low | 47.3 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | -152.4 | 101.1 | 159.6 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 39 | G | 38.4 | Very low | 46.1 | Very low | 72 Ų | 72 | 126.1 Ų | 126.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -113.2 | 125 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 40 | D | 40.7 | Very low | 45.2 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -159.9 | 159.4 | 162.7 | -108.7 | -13 | 0 | 0 | 0 | 110.1 | ||||
| 41 | P | 47.6 | Very low | 44.6 | Very low | 104 Ų | 104 | 129 Ų | 129 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | -105 | 176.6 | -128.2 | 4.8 | 17.8 | 0 | 0 | 0 | 115 | |||||
| 42 | P | 42.3 | Very low | 44.1 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 137.2 | -174.9 | 33.6 | -31.8 | 0 | 0 | 0 | 112.9 | ||||
| 43 | T | 37.5 | Very low | 44 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -104 | 116 | 168.7 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 44 | G | 38.1 | Very low | 43.6 | Very low | 70 Ų | 70 | 131.8 Ų | 131.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -126.3 | 129.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 45 | A | 36.2 | Very low | 43.3 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 54.4 | 118.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 46 | F | 37.8 | Very low | 43.2 | Very low | 218 Ų | 218 | 138.7 Ų | 138.7 | 96% | 0.956 | 81% | 0.812 | S | S | * | * | trans | -135.8 | 128.5 | 153 | -79.1 | -78.7 | 0 | 0 | 0 | 111.4 | ||||
| 47 | G | 36.8 | Very low | 43 | Very low | 87 Ų | 87 | 135.3 Ų | 135.3 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 83.7 | 111.5 | 135 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 48 | H | 40.4 | Very low | 42.9 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | trans | -104.4 | 165.8 | 162.8 | -172.4 | -78.9 | 0 | 0 | 0 | 110.4 | ||||
| 49 | V | 43.9 | Very low | 43.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | trans | 123.8 | 140.8 | 150 | 179.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 50 | P | 46.1 | Very low | 43.2 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -133.3 | -178.2 | -30.5 | 36.5 | -16.2 | 0 | 0 | 0 | 115.5 | ||||
| 51 | E | 51.5 | Low | 43.3 | Very low | 141 Ų | 141 | 143 Ų | 143 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 145.8 | 179.9 | -169.3 | -179.5 | -174.1 | 0 | 0 | 115.1 | R53 | E51-R53 HydrophobicContact CG-CG 4.39Å; E51-R53 IonicContact OE1-CZ 3.47Å; E51-R53 IonicContact OE1-NE 3.51Å; E51-R53 PolarHBondContact OE1-NE 3.43Å; E51-R53 IonicContact OE1-NH2 3.33Å | ||
| 52 | I | 47.9 | Very low | 43.2 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -134.4 | 119 | 161.6 | -62.4 | 176.8 | 0 | 0 | 0 | 109.2 | ||||
| 53 | R | 47.3 | Very low | 43.3 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -105 | 138.5 | 171.2 | -70.5 | 179.8 | 176.9 | -154.3 | -5.7 | 110 | E51 | E51-R53 HydrophobicContact CG-CG 4.39Å; E51-R53 IonicContact OE1-CZ 3.47Å; E51-R53 IonicContact OE1-NE 3.51Å; E51-R53 PolarHBondContact OE1-NE 3.43Å; E51-R53 IonicContact OE1-NH2 3.33Å | ||
| 54 | T | 45.8 | Very low | 43.8 | Very low | 141 Ų | 141 | 146 Ų | 146 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -134.9 | 129.1 | 157.3 | 48.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 55 | Y | 48.4 | Very low | 44.7 | Very low | 201 Ų | 201 | 152.5 Ų | 152.5 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -117 | 142.6 | 177.6 | 53.3 | -86.8 | 0 | 0 | 0 | 107.5 | ||||
| 56 | I | 50.5 | Low | 45.3 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -143.7 | 132.1 | 149.2 | -61.4 | -173.7 | 0 | 0 | 0 | 108.4 | ||||
| 57 | N | 41 | Very low | 46.3 | Very low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -113.8 | 131.1 | -171.9 | -179.2 | 18.1 | 0 | 0 | 0 | 108 | ||||
| 58 | M | 43.9 | Very low | 47.2 | Very low | 171 Ų | 171 | 156.9 Ų | 156.9 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -148.8 | 95.3 | 164.4 | -73 | -160.2 | -54.9 | 0 | 0 | 112.4 | ||||
| 59 | T | 45.6 | Very low | 47.9 | Very low | 119 Ų | 119 | 151.5 Ų | 151.5 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | trans | -65 | 122.5 | 158.4 | -46.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 60 | I | 38.8 | Very low | 48.7 | Very low | 152 Ų | 152 | 154 Ų | 154 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 128.3 | 168.3 | -62.8 | 174.5 | 0 | 0 | 0 | 108.6 | ||||
| 61 | L | 41.8 | Very low | 49.4 | Very low | 156 Ų | 156 | 160.3 Ų | 160.3 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | trans | -143.7 | 103.7 | 150.1 | -72.9 | -179.8 | 0 | 0 | 0 | 110.2 | ||||
| 62 | K | 45.9 | Very low | 49.7 | Very low | 198 Ų | 198 | 157.3 Ų | 157.3 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | 48.6 | 114.2 | 127.4 | -164.1 | -176.6 | -170.8 | -176.8 | 0 | 116.2 | |||||
| 63 | G | 43.8 | Very low | 50.6 | Low | 68 Ų | 68 | 155.8 Ų | 155.8 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | cis | 143.9 | 137.4 | 16.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 64 | D | 49.5 | Very low | 51.5 | Low | 177 Ų | 177 | 152.4 Ų | 152.4 | 95% | 0.947 | 83% | 0.826 | S | S | * | * | trans | -119.9 | 147.7 | 170.7 | -82 | -37.3 | 0 | 0 | 0 | 111.3 | ||||
| 65 | K | 55.8 | Low | 52.4 | Low | 207 Ų | 207 | 149.4 Ų | 149.4 | 90% | 0.9 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 143.8 | -167 | -174 | 178.2 | 179.2 | -177.9 | 0 | 111.8 | ||
| 66 | G | 49 | Very low | 53.3 | Low | 72 Ų | 72 | 149.2 Ų | 149.2 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 154.8 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 67 | D | 59.1 | Low | 54.2 | Low | 170 Ų | 170 | 147.8 Ų | 147.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 148.5 | 161.7 | -74 | -39.3 | 0 | 0 | 0 | 111 | G69 | D67-G69 PolarHBondContact O-N 3.15Š|
| 68 | R | 55.9 | Low | 55.4 | Low | 256 Ų | 256 | 144.7 Ų | 144.7 | 97% | 0.966 | 82% | 0.824 | S | S | * | * | trans | -88.1 | 105.2 | -170.4 | -176.8 | 177.6 | -179.1 | 166.2 | -0.1 | 112 | ||||
| 69 | G | 54.5 | Low | 56.7 | Low | 65 Ų | 65 | 144.8 Ų | 144.8 | 67% | 0.67 | 82% | 0.822 | S | S | * | * | 80.2 | 123.4 | 129.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | D67 | D67-G69 PolarHBondContact O-N 3.15Š| |||
| 70 | D | 61.4 | Low | 58.2 | Low | 174 Ų | 174 | 148.4 Ų | 148.4 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -126.7 | 151.5 | 158.5 | -84.6 | -39.9 | 0 | 0 | 0 | 112.1 | ||||
| 71 | R | 61.1 | Low | 59.9 | Low | 244 Ų | 244 | 143.8 Ų | 143.8 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 141.8 | -167.2 | -167.5 | 172.9 | 179.5 | 151.7 | -2 | 113.5 | ||
| 72 | G | 57.9 | Low | 61.7 | Low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 140.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 73 | T | 65 | Low | 63.4 | Low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 152.1 | 175.3 | 47 | 0 | 0 | 0 | 0 | 111.6 | ||
| 74 | P | 67.9 | Low | 65 | Low | 126 Ų | 126 | 139.2 Ų | 139.2 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 149.8 | -176.3 | -25.3 | 34.7 | 0 | 0 | 0 | 114.3 | ||
| 75 | G | 63.9 | Low | 66.6 | Low | 78 Ų | 78 | 135.7 Ų | 135.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 142.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 76 | K | 66.5 | Low | 67.9 | Low | 196 Ų | 196 | 135 Ų | 135 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 132.5 | -176.8 | -59.9 | -174.6 | 179.3 | -176 | 0 | 111.2 | G78 | K76-G78 PolarHBondContact O-N 2.78Š|
| 77 | V | 69.6 | Low | 69.3 | Low | 133 Ų | 133 | 134.7 Ų | 134.7 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 132 | 164.7 | 177.8 | 0 | 0 | 0 | 0 | 108.1 | H79 | V77-H79 PolarHBondContact O-N 3.45Š|
| 78 | G | 67.1 | Low | 70.6 | Confident | 68 Ų | 68 | 133.6 Ų | 133.6 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 134.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K76 E80 | K76-G78 PolarHBondContact O-N 2.78Å; G78-E80 PolarHBondContact O-N 3.49Å |
| 79 | H | 71.6 | Confident | 71.9 | Confident | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.8 | 177.1 | -64.8 | -82.5 | 0 | 0 | 0 | 109.8 | V77 G81 | V77-H79 PolarHBondContact O-N 3.45Å; H79-G81 PolarHBondContact O-N 3.02Å |
| 80 | E | 75.6 | Confident | 73.3 | Confident | 194 Ų | 194 | 126.7 Ų | 126.7 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 133 | 169 | -167.9 | 171.7 | -176.5 | 0 | 0 | 109 | G78 | G78-E80 PolarHBondContact O-N 3.49Š|
| 81 | G | 75.2 | Confident | 74.6 | Confident | 56 Ų | 56 | 124.1 Ų | 124.1 | 58% | 0.577 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | H79 | H79-G81 PolarHBondContact O-N 3.02Š|
| 82 | P | 80.4 | Confident | 75.9 | Confident | 122 Ų | 122 | 122.3 Ų | 122.3 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 142.7 | 179 | 24.9 | -32.7 | 0 | 0 | 0 | 110.8 | G84 | P82-G84 PolarHBondContact O-N 3.32Š|
| 83 | P | 80.9 | Confident | 77.2 | Confident | 127 Ų | 127 | 121.8 Ų | 121.8 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 137.3 | 173.4 | -26.4 | 34.3 | 0 | 0 | 0 | 111.5 | ||
| 84 | G | 78.2 | Confident | 78.4 | Confident | 76 Ų | 76 | 121.1 Ų | 121.1 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 144.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P82 Q86 | P82-G84 PolarHBondContact O-N 3.32Å; G84-Q86 PolarHBondContact O-N 3.29Å |
| 85 | A | 81.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 124.7 Ų | 124.7 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G87 | A85-G87 PolarHBondContact O-N 2.77Š|
| 86 | Q | 82.4 | Confident | 80.6 | Confident | 194 Ų | 194 | 123.9 Ų | 123.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 133.2 | 176.3 | -174.6 | 172.9 | -21.8 | 0 | 0 | 110.3 | G84 | G84-Q86 PolarHBondContact O-N 3.29Š|
| 87 | G | 80.3 | Confident | 81.8 | Confident | 65 Ų | 65 | 123.4 Ų | 123.4 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60 | 147.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A85 | A85-G87 PolarHBondContact O-N 2.77Š|
| 88 | V | 84.5 | Confident | 82.8 | Confident | 147 Ų | 147 | 121.8 Ų | 121.8 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 136.7 | 178.9 | -69.7 | 0 | 0 | 0 | 0 | 111.3 | G90 | V88-G90 PolarHBondContact O-N 3.43Š|
| 89 | A | 85.2 | Confident | 83.8 | Confident | 99 Ų | 99 | 121.5 Ų | 121.5 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 135.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 90 | G | 83.3 | Confident | 84.7 | Confident | 77 Ų | 77 | 119 Ų | 119 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 144.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V88 | V88-G90 PolarHBondContact O-N 3.43Š|
| 91 | S | 87.9 | Confident | 85.3 | Confident | 120 Ų | 120 | 115.8 Ų | 115.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -62 | 135.9 | 178.2 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | G93 | S91-G93 PolarHBondContact O-N 3.45Š|
| 92 | K | 88.3 | Confident | 85.7 | Confident | 206 Ų | 206 | 116.5 Ų | 116.5 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 132.9 | 172 | -170.9 | 176.6 | -176.8 | 176.8 | 0 | 109.8 | ||
| 93 | G | 85.5 | Confident | 85.9 | Confident | 66 Ų | 66 | 118.2 Ų | 118.2 | 68% | 0.68 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 149.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S91 | S91-G93 PolarHBondContact O-N 3.45Š|
| 94 | S | 90.5 | Very high | 85.8 | Confident | 116 Ų | 116 | 117.6 Ų | 117.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 145.6 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 111.6 | G96 | S94-G96 PolarHBondContact O-N 2.98Š|
| 95 | K | 90.5 | Very high | 85.6 | Confident | 201 Ų | 201 | 119.3 Ų | 119.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136 | 171.2 | -168.9 | 176.9 | 179.7 | -179.8 | 0 | 109.4 | ||
| 96 | G | 88.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 123.9 Ų | 123.9 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 154.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S94 | S94-G96 PolarHBondContact O-N 2.98Š|
| 97 | H | 90.2 | Very high | 85.5 | Confident | 186 Ų | 186 | 121.4 Ų | 121.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 151.2 | 178.1 | -67.7 | 40.6 | 0 | 0 | 0 | 110.2 | ||
| 98 | A | 90.3 | Very high | 85.9 | Confident | 98 Ų | 98 | 121.2 Ų | 121.2 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 142.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 99 | G | 88.9 | Confident | 86.3 | Confident | 62 Ų | 62 | 119.3 Ų | 119.3 | 64% | 0.639 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 163.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 100 | P | 91.3 | Very high | 86.8 | Confident | 123 Ų | 123 | 114.7 Ų | 114.7 | 80% | 0.799 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -60 | 151.2 | 173.3 | 27.2 | -33.9 | 0 | 0 | 0 | 110.7 | ||
| 101 | P | 87.2 | Confident | 87.5 | Confident | 125 Ų | 125 | 112.3 Ų | 112.3 | 81% | 0.812 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 142.5 | 169.2 | -23.7 | 33.8 | 0 | 0 | 0 | 111 | ||
| 102 | G | 84.1 | Confident | 88 | Confident | 72 Ų | 72 | 106.9 Ų | 106.9 | 74% | 0.742 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 161 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 103 | D | 83.7 | Confident | 88.5 | Confident | 158 Ų | 158 | 98.3 Ų | 98.3 | 85% | 0.845 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 149.9 | 177.2 | -73.3 | -35.8 | 0 | 0 | 0 | 111.8 | C105 | D103-C105 PolarHBondContact O-N 3.32Š|
| 104 | P | 79.4 | Confident | 89.1 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 137 | 174.4 | -20.2 | 30.6 | 0 | 0 | 0 | 111.2 | K106 | P104-K106 PolarHBondContact O-N 3.19Å; P104-K106 VanDerWaalsContact O-N 3.08Å |
| 105 | C | 74.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 89.6 Ų | 89.6 | 76% | 0.764 | 55% | 0.546 | S | S | * | . | trans | -62.4 | 113.3 | 173.4 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | D103 L107 | D103-C105 PolarHBondContact O-N 3.32Å; C105-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact O-N 3.13Å | ||
| 106 | K | 79.1 | Confident | 89.8 | Confident | 198 Ų | 198 | 81.6 Ų | 81.6 | 86% | 0.861 | 51% | 0.51 | S | S | * | . | trans | -77.6 | 96 | 171.4 | -66.5 | -177.1 | -176.6 | 178 | 0 | 107.9 | P104 P108 | P104-K106 PolarHBondContact O-N 3.19Å; P104-K106 VanDerWaalsContact O-N 3.08Å; K106-P108 WeakPolarHBondContact O-CD 3.39Å | ||
| 107 | L | 82.6 | Confident | 90.2 | Very high | 143 Ų | 143 | 82.6 Ų | 82.6 | 75% | 0.749 | 49% | 0.494 | S | S | * | . | trans | -64.2 | 119 | 170.4 | -80.2 | 151.8 | 0 | 0 | 0 | 108.3 | C105 | C105-L107 PolarHBondContact O-N 3.38Å; C105-L107 VanDerWaalsContact O-N 3.13Å | ||
| 108 | P | 89.8 | Confident | 90.5 | Very high | 60 Ų | 60 | 80.8 Ų | 80.8 | 39% | 0.39 | 48% | 0.484 | S | S | . | . | trans | -67 | 140.1 | 178.2 | 30.8 | -36.6 | 0 | 0 | 0 | 109.3 | K106 V153 L238 A241 | K106-P108 WeakPolarHBondContact O-CD 3.39Å; P108-V153 HydrophobicContact CB-CG1 3.73Å; P108-V153 HydrophobicContact CB-CG2 4.03Å; P108-V153 HydrophobicContact CG-CG1 4Å; P108-L238 HydrophobicContact CB-CD2 4.5Å; P108-L238 HydrophobicContact CG-CD2 4.48Å; P108-L238 WeakPolarHBondContact O-CD2 3.48Å; P108-A241 HydrophobicContact CG-CB 3.52Å | ||
| 109 | H | 91.6 | Very high | 90.8 | Very high | 107 Ų | 107 | 77.7 Ų | 77.7 | 50% | 0.495 | 46% | 0.457 | S | S | . | . | trans | -130.1 | 152.2 | 174.9 | 58.2 | 87.4 | 0 | 0 | 0 | 109.4 | D139 R152 | H109-D139 IonicContact CE1-OD1 3.13Å; H109-D139 PolarHBondContact CE1-OD1 3.32Å; H109-D139 IonicContact CE1-OD2 2.87Å; H109-D139 IonicContact ND1-OD1 3.29Å; H109-D139 IonicContact ND1-OD2 2.64Å; H109-D139 PolarHBondContact ND1-OD2 3.49Å; H109-D139 VanDerWaalsContact ND1-OD2 3.15Å; H109-R152 PolarHBondContact O-NH2 3.19Å; H109-R152 VanDerWaalsContact O-NH2 3.15Å | ||
| 110 | S | 96.1 | Very high | 91.1 | Very high | 3 Ų | 3 | 76 Ų | 76 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | trans | -157 | 123.9 | 171.3 | 163.7 | 0 | 0 | 0 | 0 | 106.7 | D141 F149 Y237 L238 | S110-D141 PolarHBondContact OG-OD2 3.47Å; S110-F149 WeakPolarHBondContact OG-CE2 3.38Å; S110-F149 WeakPolarHBondContact OG-CZ 3.44Å; S110-Y237 CarbonylContact O-C 3.58Å; S110-Y237 WeakPolarHBondContact O-CA 3.4Å; S110-L238 PolarHBondContact O-N 3.25Å | ||
| 111 | A | 97.5 | Very high | 91.4 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 22% | 0.223 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 141.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G236 | A111-G236 CarbonylContact C-O 3.56Å; A111-G236 VanDerWaalsContact CA-O 3.32Å; A111-G236 WeakPolarHBondContact CA-O 3.19Å |
| 112 | F | 98.5 | Very high | 91.8 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 153 | 169.8 | 72.7 | -86.2 | 0 | 0 | 0 | 111.4 | V114 V136 F142 F149 F159 F234 N235 G236 | F112-V114 HydrophobicContact CD2-CG1 4.39Å; F112-V114 HydrophobicContact CD2-CG2 4.16Å; F112-V114 HydrophobicContact CE2-CG2 4.39Å; F112-V136 CarbonylContact C-O 3.49Å; F112-V136 WeakPolarHBondContact CA-O 3.42Å; F112-F142 HydrophobicContact CB-CB 3.97Å; F112-F142 HydrophobicContact CD1-CD2 4.26Å; F112-F142 HydrophobicContact CD2-CB 4.29Å; F112-F142 AromaticContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CD2 3.46Å; F112-F142 VanDerWaalsContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CE2 4.08Å; F112-F142 HydrophobicContact CD2-CG 4.06Å; F112-F142 HydrophobicContact CE1-CD2 4.27Å; F112-F142 AromaticContact CE2-CD2 3.49Å; F112-F142 HydrophobicContact CE2-CD2 3.49Å; F112-F142 VanDerWaalsContact CE2-CD2 3.49Å; F112-F142 AromaticContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CG 4.49Å; F112-F142 HydrophobicContact CG-CB 4.01Å; F112-F142 AromaticContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CG 4.26Å; F112-F142 AromaticContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CE2 4.22Å; F112-F149 HydrophobicContact CD1-CB 4.33Å; F112-F149 AromaticContact CD1-CD2 3.36Å; F112-F149 HydrophobicContact CD1-CD2 3.36Å; F112-F149 AromaticContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CG 4.04Å; F112-F149 HydrophobicContact CE1-CB 3.65Å; F112-F149 HydrophobicContact CE1-CD1 4.37Å; F112-F149 AromaticContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CE2 4.06Å; F112-F149 AromaticContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CG-CD2 4.45Å; F112-F149 HydrophobicContact CZ-CB 3.97Å; F112-F149 HydrophobicContact CZ-CD2 4.43Å; F112-F149 HydrophobicContact CZ-CG 4.32Å; F112-F159 HydrophobicContact CE1-CD1 4.2Å; F112-F159 AromaticContact CE1-CE1 3.71Å; F112-F159 HydrophobicContact CE1-CE1 3.71Å; F112-F159 AromaticContact CZ-CD1 3.94Å; F112-F159 HydrophobicContact CZ-CD1 3.94Å; F112-F159 AromaticContact CZ-CE1 3.84Å; F112-F159 HydrophobicContact CZ-CE1 3.84Å; F112-F234 AromaticContact CE2-CD1 3.59Å; F112-F234 HydrophobicContact CE2-CD1 3.59Å; F112-F234 AromaticContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CG 4.04Å; F112-F234 HydrophobicContact CE2-CZ 4.35Å; F112-F234 AromaticContact CZ-CD1 4Å; F112-F234 HydrophobicContact CZ-CD1 4Å; F112-F234 AromaticContact CZ-CE1 3.67Å; F112-F234 HydrophobicContact CZ-CE1 3.67Å; F112-F234 AromaticContact CZ-CZ 3.94Å; F112-F234 HydrophobicContact CZ-CZ 3.94Å; F112-N235 WeakPolarHBondContact O-CA 3.18Å; F112-G236 PolarHBondContact N-O 3.42Å; F112-G236 PolarHBondContact O-N 3.38Å |
| 113 | S | 98.6 | Very high | 92.3 | Very high | 25 Ų | 25 | 67.4 Ų | 67.4 | 18% | 0.175 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 113.1 | 170 | 178.3 | 0 | 0 | 0 | 0 | 106.9 | F135 V136 N235 | S113-F135 WeakPolarHBondContact O-CA 3.45Å; S113-F135 WeakPolarHBondContact O-CB 3.42Å; S113-F135 PolarHBondContact O-N 2.97Å; S113-V136 PolarHBondContact N-O 3.24Å; S113-V136 PolarHBondContact O-N 3.36Å; S113-N235 WeakPolarHBondContact CA-OD1 3.39Å; S113-N235 VanDerWaalsContact CB-OD1 3.26Å; S113-N235 WeakPolarHBondContact CB-OD1 3.34Å; S113-N235 PolarHBondContact OG-OD1 3.22Å |
| 114 | V | 98.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 155.8 | -176 | -62.7 | 0 | 0 | 0 | 0 | 109.9 | F112 F131 T133 F142 M144 T233 F234 | F112-V114 HydrophobicContact CD2-CG1 4.39Å; F112-V114 HydrophobicContact CD2-CG2 4.16Å; F112-V114 HydrophobicContact CE2-CG2 4.39Å; V114-F131 HydrophobicContact CB-CB 3.96Å; V114-F131 HydrophobicContact CB-CD1 4.38Å; V114-F131 HydrophobicContact CB-CG 4.13Å; V114-F131 HydrophobicContact CG2-CB 3.9Å; V114-F131 HydrophobicContact CG2-CD1 3.78Å; V114-F131 HydrophobicContact CG2-CD2 3.82Å; V114-F131 HydrophobicContact CG2-CE1 4.27Å; V114-F131 HydrophobicContact CG2-CE2 4.31Å; V114-F131 HydrophobicContact CG2-CG 3.53Å; V114-T133 CarbonylContact C-O 3.53Å; V114-T133 WeakPolarHBondContact CA-O 3.32Å; V114-F142 HydrophobicContact CG1-CD1 3.97Å; V114-F142 HydrophobicContact CG1-CE1 4.28Å; V114-F142 HydrophobicContact CG1-CG 4.25Å; V114-F142 HydrophobicContact CG2-CD1 4.36Å; V114-F142 HydrophobicContact CG2-CD2 4.47Å; V114-F142 HydrophobicContact CG2-CE1 3.95Å; V114-F142 HydrophobicContact CG2-CE2 4.08Å; V114-F142 HydrophobicContact CG2-CZ 3.8Å; V114-M144 HydrophobicContact CB-CE 4.38Å; V114-M144 HydrophobicContact CB-SD 4.38Å; V114-M144 HydrophobicContact CG1-CE 4.17Å; V114-M144 HydrophobicContact CG1-SD 3.63Å; V114-T233 CarbonylContact O-C 3.58Å; V114-T233 WeakPolarHBondContact O-CA 3.3Å; V114-F234 HydrophobicContact CG2-CB 4.11Å; V114-F234 WeakPolarHBondContact CG2-O 3.38Å; V114-F234 PolarHBondContact N-O 2.84Å; V114-F234 PolarHBondContact O-N 2.98Å |
| 115 | A | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F131 D132 T133 F135 V230 I232 T233 | A115-F131 WeakPolarHBondContact O-CB 3.46Å; A115-D132 PolarHBondContact O-N 2.84Å; A115-T133 HydrophobicContact CB-CG2 4.31Å; A115-T133 PolarHBondContact N-O 2.96Å; A115-T133 PolarHBondContact O-N 2.9Å; A115-F135 HydrophobicContact CB-CD2 4.22Å; A115-F135 HydrophobicContact CB-CE2 3.51Å; A115-F135 HydrophobicContact CB-CZ 4.11Å; A115-V230 HydrophobicContact CB-CG1 3.42Å; A115-V230 VanDerWaalsContact CB-CG1 3.42Å; A115-I232 VanDerWaalsContact CA-O 3.23Å; A115-I232 WeakPolarHBondContact CA-O 3.4Å; A115-I232 WeakPolarHBondContact CB-O 3.17Å; A115-T233 HydrophobicContact CB-CG2 4.3Å |
| 116 | R | 97.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 62 Ų | 62 | 13% | 0.125 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 122.4 | 174.6 | -177.8 | -175.2 | 174.2 | 85.1 | 8.8 | 107.9 | K118 S119 V130 F131 D132 S225 I232 | R116-K118 WeakPolarHBondContact CD-O 3.36Å; R116-K118 VanDerWaalsContact CG-O 3.3Å; R116-K118 WeakPolarHBondContact CG-O 3.42Å; R116-K118 PolarHBondContact NE-O 2.79Å; R116-S119 PolarHBondContact NH2-O 3.13Å; R116-V130 WeakPolarHBondContact CD-O 3.2Å; R116-V130 PolarHBondContact NH1-O 3.14Å; R116-F131 HydrophobicContact CB-CD1 3.97Å; R116-D132 WeakPolarHBondContact CA-OD1 3.46Å; R116-S225 PolarHBondContact O-OG 2.91Å; R116-I232 HydrophobicContact CB-CB 4.09Å; R116-I232 HydrophobicContact CB-CG2 3.83Å; R116-I232 PolarHBondContact N-O 2.8Å; R116-I232 VanDerWaalsContact N-O 3.09Å |
| 117 | R | 96.1 | Very high | 95.2 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | trans | -89.6 | -27.7 | 177.8 | -69.1 | 178.3 | 172.8 | -84.9 | -1.4 | 112.3 | D132 T133 S225 D226 V230 | R117-D132 PolarHBondContact N-OD1 3.14Å; R117-D132 PolarHBondContact N-OD2 3.26Å; R117-D132 VanDerWaalsContact N-OD2 3.15Å; R117-T133 WeakPolarHBondContact CD-OG1 3.32Å; R117-T133 PolarHBondContact NE-OG1 2.8Å; R117-S225 WeakPolarHBondContact CA-OG 3.48Å; R117-S225 CarbonylContact O-C 3.59Å; R117-S225 VanDerWaalsContact O-C 3.29Å; R117-S225 WeakPolarHBondContact O-CB 3.34Å; R117-S225 PolarHBondContact O-OG 3.25Å; R117-D226 CarbonylContact C-O 3.53Å; R117-D226 CarbonylContact O-C 3.55Å; R117-D226 VanDerWaalsContact O-C 3.27Å; R117-D226 PolarHBondContact O-N 3.15Å; R117-V230 HydrophobicContact CG-CG2 4.42Å | ||
| 118 | K | 96.3 | Very high | 95.9 | Very high | 148 Ų | 148 | 49 Ų | 49 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -87.8 | 139.5 | -179.1 | -62.8 | -178.3 | -176.3 | 178.2 | 0 | 111.5 | R116 D132 | R116-K118 WeakPolarHBondContact CD-O 3.36Å; R116-K118 VanDerWaalsContact CG-O 3.3Å; R116-K118 WeakPolarHBondContact CG-O 3.42Å; R116-K118 PolarHBondContact NE-O 2.79Å; K118-D132 PolarHBondContact N-OD2 3.36Å |
| 119 | S | 96.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 46.1 Ų | 46.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | trans | -60.8 | 163.6 | 167.9 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | R116 W166 I223 S225 | R116-S119 PolarHBondContact NH2-O 3.13Å; S119-W166 VanDerWaalsContact CB-CZ3 3.44Å; S119-W166 WeakPolarHBondContact OG-CZ3 3.18Å; S119-I223 WeakPolarHBondContact CA-O 3.45Å; S119-I223 WeakPolarHBondContact CB-O 3.41Å; S119-S225 PolarHBondContact N-O 3.11Å; S119-S225 PolarHBondContact OG-N 2.88Å; S119-S225 PolarHBondContact OG-O 2.85Å | ||
| 120 | L | 96.6 | Very high | 96.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.131 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 129.9 | 178.9 | -173.4 | 59.6 | 0 | 0 | 0 | 111 | V129 L214 A222 I223 | L120-V129 HydrophobicContact CD2-CG2 4.35Å; L120-L214 HydrophobicContact CD2-CD2 4.06Å; L120-L214 HydrophobicContact CG-CD2 3.97Å; L120-A222 VanDerWaalsContact O-CA 3.27Å; L120-A222 WeakPolarHBondContact O-CA 3.5Å; L120-I223 HydrophobicContact CB-CD1 4.03Å; L120-I223 HydrophobicContact CB-CG1 3.74Å; L120-I223 HydrophobicContact CD2-CD1 4.4Å; L120-I223 PolarHBondContact N-O 2.82Å; L120-I223 PolarHBondContact O-N 2.85Å |
| 121 | H | 97 | Very high | 96.7 | Very high | 49 Ų | 49 | 43.6 Ų | 43.6 | 23% | 0.227 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 149.4 | 168.1 | -75 | -87.5 | 0 | 0 | 0 | 110.1 | Q127 R219 | H121-Q127 PolarHBondContact O-NE2 2.64Å; H121-R219 PolarHBondContact ND1-O 2.95Å |
| 122 | S | 96.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 24% | 0.238 | C | C | . | . | trans | -66.8 | 150.2 | 167.8 | 53.2 | 0 | 0 | 0 | 0 | 111.7 | F215 R217 R219 N221 | S122-F215 WeakPolarHBondContact CB-O 3.41Å; S122-R217 PolarHBondContact OG-O 2.84Å; S122-R219 VanDerWaalsContact O-CA 3.32Å; S122-R219 WeakPolarHBondContact O-CA 3.41Å; S122-R219 PolarHBondContact O-N 2.78Å; S122-N221 WeakPolarHBondContact CB-O 3.35Å; S122-N221 PolarHBondContact N-O 3.02Å; S122-N221 WeakPolarHBondContact OG-CA 3.3Å; S122-N221 WeakPolarHBondContact OG-CB 3.41Å; S122-N221 PolarHBondContact OG-N 2.82Å; S122-N221 VanDerWaalsContact OG-N 3.11Å; S122-N221 PolarHBondContact OG-O 2.8Å | ||
| 123 | D | 94.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 46.8 Ų | 46.8 | 48% | 0.481 | 24% | 0.244 | S | C | . | . | trans | -106.1 | -171.8 | 166.6 | -64.3 | -47.4 | 0 | 0 | 0 | 108.7 | A125 Q127 K216 R217 | D123-A125 PolarHBondContact O-N 3.05Å; D123-Q127 PolarHBondContact OD2-NE2 2.83Å; D123-K216 WeakPolarHBondContact O-CA 3.26Å; D123-R217 PolarHBondContact O-N 3.11Å; D123-R217 VanDerWaalsContact O-N 3.07Å | ||
| 124 | D | 93.1 | Very high | 96.5 | Very high | 115 Ų | 115 | 49 Ų | 49 | 62% | 0.615 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -75.4 | -8.7 | 175 | -59.9 | -25.2 | 0 | 0 | 0 | 113.1 | K216 E218 | D124-K216 WeakPolarHBondContact O-CD 3.25Å; D124-E218 WeakPolarHBondContact OD1-CA 3.32Å; D124-E218 WeakPolarHBondContact OD1-CB 3.34Å; D124-E218 WeakPolarHBondContact OD1-CG 3.14Å |
| 125 | A | 94.4 | Very high | 96.5 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 50% | 0.496 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -113.7 | 156.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D123 Q127 K216 | D123-A125 PolarHBondContact O-N 3.05Å; A125-Q127 PolarHBondContact O-N 3.12Å; A125-K216 VanDerWaalsContact C-CB 3.46Å |
| 126 | Y | 95.4 | Very high | 96.5 | Very high | 97 Ų | 97 | 56.8 Ų | 56.8 | 38% | 0.38 | 30% | 0.295 | S | S | . | . | trans | -65.9 | 134.8 | 168.7 | -70.1 | -71.4 | 0 | 0 | 0 | 109 | R213 F215 K216 | Y126-R213 HydrophobicContact CD1-CG 4.23Å; Y126-F215 AromaticContact CE1-CD2 3.64Å; Y126-F215 HydrophobicContact CE1-CD2 3.64Å; Y126-F215 AromaticContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CG 4.06Å; Y126-F215 HydrophobicContact CE1-CZ 4.4Å; Y126-F215 WeakPolarHBondContact OH-CE2 3.36Å; Y126-K216 HydrophobicContact CD1-CB 4.37Å; Y126-K216 HydrophobicContact CD1-CG 4.32Å; Y126-K216 HydrophobicContact CD2-CD 3.97Å; Y126-K216 HydrophobicContact CD2-CG 4.42Å; Y126-K216 HydrophobicContact CE1-CD 4.5Å; Y126-K216 HydrophobicContact CE1-CG 4.01Å; Y126-K216 HydrophobicContact CE2-CD 3.71Å; Y126-K216 HydrophobicContact CE2-CG 4.13Å; Y126-K216 HydrophobicContact CG-CD 4.47Å | ||
| 127 | Q | 94.9 | Very high | 96.5 | Very high | 36 Ų | 36 | 57.1 Ų | 57.1 | 17% | 0.168 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 142.9 | 179.4 | 63 | 178.9 | -70.3 | 0 | 0 | 111 | H121 D123 A125 R213 L214 | H121-Q127 PolarHBondContact O-NE2 2.64Å; D123-Q127 PolarHBondContact OD2-NE2 2.83Å; A125-Q127 PolarHBondContact O-N 3.12Å; Q127-R213 WeakPolarHBondContact O-CA 3.4Å; Q127-L214 HydrophobicContact CG-CB 3.84Å; Q127-L214 HydrophobicContact CG-CD2 4.27Å; Q127-L214 PolarHBondContact O-N 2.84Å |
| 128 | A | 97.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 59 Ų | 59 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 136.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | V130 W211 | A128-V130 PolarHBondContact O-N 3.22Å; A128-W211 HydrophobicContact CB-CE3 3.65Å; A128-W211 HydrophobicContact CB-CZ3 3.66Å |
| 129 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -77.2 | 112.3 | 171.8 | -178.3 | 0 | 0 | 0 | 0 | 107.8 | L120 F131 L173 V212 L214 I223 | L120-V129 HydrophobicContact CD2-CG2 4.35Å; V129-F131 HydrophobicContact CG1-CE1 4.44Å; V129-F131 HydrophobicContact CG1-CE2 4.35Å; V129-F131 HydrophobicContact CG1-CZ 4.06Å; V129-F131 WeakPolarHBondContact O-CD2 3.17Å; V129-F131 WeakPolarHBondContact O-CE2 3.5Å; V129-L173 HydrophobicContact CG2-CD2 3.7Å; V129-V212 HydrophobicContact CB-CB 4.19Å; V129-V212 HydrophobicContact CB-CG1 4.27Å; V129-V212 HydrophobicContact CG2-CB 4.31Å; V129-V212 HydrophobicContact CG2-CG1 3.88Å; V129-V212 PolarHBondContact N-O 2.88Å; V129-L214 HydrophobicContact CG2-CB 4.19Å; V129-I223 HydrophobicContact CG1-CD1 4.09Å; V129-I223 HydrophobicContact CG2-CD1 4.44Å | ||
| 130 | V | 97.7 | Very high | 95.8 | Very high | 49 Ų | 49 | 55.4 Ų | 55.4 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | trans | -91.1 | 143.9 | 176.3 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | R116 A128 M144 | R116-V130 WeakPolarHBondContact CD-O 3.2Å; R116-V130 PolarHBondContact NH1-O 3.14Å; A128-V130 PolarHBondContact O-N 3.22Å; V130-M144 WeakPolarHBondContact CG1-O 3.49Å | ||
| 131 | F | 97.9 | Very high | 95.8 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | trans | -109 | 148 | -177.2 | -61.2 | -91.1 | 0 | 0 | 0 | 109.8 | V114 A115 R116 V129 F142 M144 I232 F234 | V114-F131 HydrophobicContact CB-CB 3.96Å; V114-F131 HydrophobicContact CB-CD1 4.38Å; V114-F131 HydrophobicContact CB-CG 4.13Å; V114-F131 HydrophobicContact CG2-CB 3.9Å; V114-F131 HydrophobicContact CG2-CD1 3.78Å; V114-F131 HydrophobicContact CG2-CD2 3.82Å; V114-F131 HydrophobicContact CG2-CE1 4.27Å; V114-F131 HydrophobicContact CG2-CE2 4.31Å; V114-F131 HydrophobicContact CG2-CG 3.53Å; A115-F131 WeakPolarHBondContact O-CB 3.46Å; R116-F131 HydrophobicContact CB-CD1 3.97Å; V129-F131 HydrophobicContact CG1-CE1 4.44Å; V129-F131 HydrophobicContact CG1-CE2 4.35Å; V129-F131 HydrophobicContact CG1-CZ 4.06Å; V129-F131 WeakPolarHBondContact O-CD2 3.17Å; V129-F131 WeakPolarHBondContact O-CE2 3.5Å; F131-F142 AromaticContact CD2-CE1 3.95Å; F131-F142 HydrophobicContact CD2-CE1 3.95Å; F131-F142 AromaticContact CD2-CZ 3.53Å; F131-F142 HydrophobicContact CD2-CZ 3.53Å; F131-F142 AromaticContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CG-CZ 4.46Å; F131-M144 HydrophobicContact CB-CE 3.86Å; F131-M144 WeakPolarHBondContact O-CE 3.29Å; F131-I232 HydrophobicContact CE1-CG2 4.11Å; F131-F234 HydrophobicContact CD1-CB 4.44Å; F131-F234 HydrophobicContact CE1-CB 3.53Å; F131-F234 HydrophobicContact CE2-CB 4.07Å; F131-F234 AromaticContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CG 4.41Å; F131-F234 HydrophobicContact CZ-CB 3.31Å; F131-F234 AromaticContact CZ-CD1 3.98Å; F131-F234 HydrophobicContact CZ-CD1 3.98Å; F131-F234 AromaticContact CZ-CG 3.97Å; F131-F234 HydrophobicContact CZ-CG 3.97Å | ||
| 132 | D | 96.3 | Very high | 95.8 | Very high | 74 Ų | 74 | 53 Ų | 53 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | trans | -119 | -5.6 | -174.2 | 58.7 | 24.5 | 0 | 0 | 0 | 113.4 | A115 R116 R117 K118 | A115-D132 PolarHBondContact O-N 2.84Å; R116-D132 WeakPolarHBondContact CA-OD1 3.46Å; R117-D132 PolarHBondContact N-OD1 3.14Å; R117-D132 PolarHBondContact N-OD2 3.26Å; R117-D132 VanDerWaalsContact N-OD2 3.15Å; K118-D132 PolarHBondContact N-OD2 3.36Å | ||
| 133 | T | 97.1 | Very high | 95.9 | Very high | 26 Ų | 26 | 55.8 Ų | 55.8 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 134 | -176.1 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | V114 A115 R117 F135 | V114-T133 CarbonylContact C-O 3.53Å; V114-T133 WeakPolarHBondContact CA-O 3.32Å; A115-T133 HydrophobicContact CB-CG2 4.31Å; A115-T133 PolarHBondContact N-O 2.96Å; A115-T133 PolarHBondContact O-N 2.9Å; R117-T133 WeakPolarHBondContact CD-OG1 3.32Å; R117-T133 PolarHBondContact NE-OG1 2.8Å; T133-F135 HydrophobicContact CG2-CE1 4.43Å; T133-F135 HydrophobicContact CG2-CZ 4.47Å |
| 134 | V | 98.1 | Very high | 96 | Very high | 72 Ų | 72 | 53.6 Ų | 53.6 | 44% | 0.436 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.2 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | N137 M144 | V134-N137 HydrophobicContact CG1-CB 3.7Å; V134-M144 HydrophobicContact CG2-CE 3.55Å; V134-M144 HydrophobicContact CG2-CG 4.05Å; V134-M144 HydrophobicContact CG2-SD 3.59Å; V134-M144 VanDerWaalsContact CG2-SD 3.59Å |
| 135 | F | 98.1 | Very high | 96.2 | Very high | 111 Ų | 111 | 57.2 Ų | 57.2 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -46 | 165.6 | -62.8 | -60.8 | 0 | 0 | 0 | 110.7 | S113 A115 T133 V230 T233 | S113-F135 WeakPolarHBondContact O-CA 3.45Å; S113-F135 WeakPolarHBondContact O-CB 3.42Å; S113-F135 PolarHBondContact O-N 2.97Å; A115-F135 HydrophobicContact CB-CD2 4.22Å; A115-F135 HydrophobicContact CB-CE2 3.51Å; A115-F135 HydrophobicContact CB-CZ 4.11Å; T133-F135 HydrophobicContact CG2-CE1 4.43Å; T133-F135 HydrophobicContact CG2-CZ 4.47Å; F135-V230 HydrophobicContact CE2-CG1 4.2Å; F135-V230 HydrophobicContact CZ-CG1 4.09Å; F135-V230 HydrophobicContact CZ-CG2 4.35Å; F135-T233 HydrophobicContact CE2-CG2 4.33Å |
| 136 | V | 98.1 | Very high | 96.3 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 132 | 179.1 | -178.5 | 0 | 0 | 0 | 0 | 108.6 | F112 S113 L138 | F112-V136 CarbonylContact C-O 3.49Å; F112-V136 WeakPolarHBondContact CA-O 3.42Å; S113-V136 PolarHBondContact N-O 3.24Å; S113-V136 PolarHBondContact O-N 3.36Å; V136-L138 HydrophobicContact CG1-CD1 4.35Å; V136-L138 HydrophobicContact CG1-CD2 4.03Å; V136-L138 HydrophobicContact CG1-CG 3.71Å |
| 137 | N | 97.1 | Very high | 96.4 | Very high | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.214 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 64.2 | 168 | -169.3 | 13.6 | 0 | 0 | 0 | 108.3 | V134 D139 G140 D141 F142 | V134-N137 HydrophobicContact CG1-CB 3.7Å; N137-D139 VanDerWaalsContact C-N 3.29Å; N137-D139 PolarHBondContact O-N 3.3Å; N137-G140 PolarHBondContact O-N 2.85Å; N137-G140 WeakPolarHBondContact OD1-CA 3.31Å; N137-D141 PolarHBondContact OD1-N 2.84Å; N137-F142 PolarHBondContact ND2-O 2.84Å; N137-F142 PolarHBondContact OD1-N 2.89Å |
| 138 | L | 87.3 | Confident | 96.6 | Very high | 121 Ų | 121 | 56.5 Ų | 56.5 | 63% | 0.634 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -41.7 | -162.5 | -62.7 | 177.1 | 0 | 0 | 0 | 113 | V136 | V136-L138 HydrophobicContact CG1-CD1 4.35Å; V136-L138 HydrophobicContact CG1-CD2 4.03Å; V136-L138 HydrophobicContact CG1-CG 3.71Å |
| 139 | D | 91.4 | Very high | 96.7 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | 3.2 | -172.2 | -60.7 | -73.8 | 0 | 0 | 0 | 112.5 | H109 N137 D141 R152 | H109-D139 IonicContact CE1-OD1 3.13Å; H109-D139 PolarHBondContact CE1-OD1 3.32Å; H109-D139 IonicContact CE1-OD2 2.87Å; H109-D139 IonicContact ND1-OD1 3.29Å; H109-D139 IonicContact ND1-OD2 2.64Å; H109-D139 PolarHBondContact ND1-OD2 3.49Å; H109-D139 VanDerWaalsContact ND1-OD2 3.15Å; N137-D139 VanDerWaalsContact C-N 3.29Å; N137-D139 PolarHBondContact O-N 3.3Å; D139-D141 WeakPolarHBondContact CB-OD2 3.43Å; D139-D141 PolarHBondContact O-N 2.92Å; D139-R152 IonicContact OD1-NH2 2.84Å; D139-R152 IonicContact OD2-NH2 2.92Å; D139-R152 PolarHBondContact OD2-NH2 3.44Å |
| 140 | G | 95.1 | Very high | 96.7 | Very high | 51 Ų | 51 | 59.5 Ų | 59.5 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 67.5 | 17.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N137 F142 | N137-G140 PolarHBondContact O-N 2.85Å; N137-G140 WeakPolarHBondContact OD1-CA 3.31Å; G140-F142 PolarHBondContact O-N 2.87Å |
| 141 | D | 96.6 | Very high | 96.7 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | trans | -70.5 | -12.6 | -178.1 | -66.6 | -33.8 | 0 | 0 | 0 | 112.1 | S110 N137 D139 F149 L150 R152 | S110-D141 PolarHBondContact OG-OD2 3.47Å; N137-D141 PolarHBondContact OD1-N 2.84Å; D139-D141 WeakPolarHBondContact CB-OD2 3.43Å; D139-D141 PolarHBondContact O-N 2.92Å; D141-F149 HydrophobicContact CB-CD2 4.06Å; D141-F149 HydrophobicContact CB-CE2 3.57Å; D141-F149 HydrophobicContact CB-CZ 4.46Å; D141-F149 CarbonylContact O-C 3.57Å; D141-F149 WeakPolarHBondContact O-CA 3.36Å; D141-L150 PolarHBondContact O-N 3.16Å; D141-R152 WeakPolarHBondContact OD1-CB 3.44Å; D141-R152 IonicContact OD1-CZ 3.15Å; D141-R152 IonicContact OD1-NE 3.64Å; D141-R152 PolarHBondContact OD1-NE 2.99Å; D141-R152 IonicContact OD1-NH2 3.64Å; D141-R152 IonicContact OD2-CZ 3.86Å; D141-R152 IonicContact OD2-NE 3.55Å; D141-R152 PolarHBondContact OD2-NE 3.43Å; D141-R152 IonicContact OD2-NH2 3.89Å; D141-R152 PolarHBondContact OD2-NH2 3.15Å | ||
| 142 | F | 98.3 | Very high | 96.6 | Very high | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.1 | 169.6 | -164.9 | -82.1 | 0 | 0 | 0 | 112.2 | F112 V114 F131 N137 G140 M144 G147 F149 F234 | F112-F142 HydrophobicContact CB-CB 3.97Å; F112-F142 HydrophobicContact CD1-CD2 4.26Å; F112-F142 HydrophobicContact CD2-CB 4.29Å; F112-F142 AromaticContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CD2 3.46Å; F112-F142 VanDerWaalsContact CD2-CD2 3.46Å; F112-F142 HydrophobicContact CD2-CE2 4.08Å; F112-F142 HydrophobicContact CD2-CG 4.06Å; F112-F142 HydrophobicContact CE1-CD2 4.27Å; F112-F142 AromaticContact CE2-CD2 3.49Å; F112-F142 HydrophobicContact CE2-CD2 3.49Å; F112-F142 VanDerWaalsContact CE2-CD2 3.49Å; F112-F142 AromaticContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CE2 3.73Å; F112-F142 HydrophobicContact CE2-CG 4.49Å; F112-F142 HydrophobicContact CG-CB 4.01Å; F112-F142 AromaticContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CD2 3.87Å; F112-F142 HydrophobicContact CG-CG 4.26Å; F112-F142 AromaticContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CD2 3.91Å; F112-F142 HydrophobicContact CZ-CE2 4.22Å; V114-F142 HydrophobicContact CG1-CD1 3.97Å; V114-F142 HydrophobicContact CG1-CE1 4.28Å; V114-F142 HydrophobicContact CG1-CG 4.25Å; V114-F142 HydrophobicContact CG2-CD1 4.36Å; V114-F142 HydrophobicContact CG2-CD2 4.47Å; V114-F142 HydrophobicContact CG2-CE1 3.95Å; V114-F142 HydrophobicContact CG2-CE2 4.08Å; V114-F142 HydrophobicContact CG2-CZ 3.8Å; F131-F142 AromaticContact CD2-CE1 3.95Å; F131-F142 HydrophobicContact CD2-CE1 3.95Å; F131-F142 AromaticContact CD2-CZ 3.53Å; F131-F142 HydrophobicContact CD2-CZ 3.53Å; F131-F142 AromaticContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CE2-CZ 3.87Å; F131-F142 HydrophobicContact CG-CZ 4.46Å; N137-F142 PolarHBondContact ND2-O 2.84Å; N137-F142 PolarHBondContact OD1-N 2.89Å; G140-F142 PolarHBondContact O-N 2.87Å; F142-M144 HydrophobicContact CD1-CG 4.48Å; F142-M144 HydrophobicContact CD1-SD 3.5Å; F142-M144 WeakPolarHBondContact CD1-SD 3.39Å; F142-M144 HydrophobicContact CE1-SD 3.84Å; F142-M144 PolarHBondContact O-N 2.8Å; F142-G147 VanDerWaalsContact CZ-C 3.43Å; F142-F149 HydrophobicContact CD2-CB 3.93Å; F142-F149 HydrophobicContact CE2-CB 4.44Å; F142-F234 AromaticContact CE2-CD1 3.68Å; F142-F234 HydrophobicContact CE2-CD1 3.68Å; F142-F234 AromaticContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CZ-CD1 4.23Å |
| 143 | D | 97.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 60.2 Ų | 60.2 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.5 | 173 | -173.9 | -29.6 | 0 | 0 | 0 | 110.4 | F145 Q146 G147 K148 | D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.47Å; D143-F145 WeakPolarHBondContact OD1-CB 3.46Å; D143-F145 PolarHBondContact OD1-N 2.86Å; D143-Q146 HydrophobicContact CB-CB 4.23Å; D143-Q146 PolarHBondContact OD1-N 3.3Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.4Å; D143-G147 WeakPolarHBondContact O-CA 3.49Å; D143-G147 PolarHBondContact O-N 2.84Å; D143-K148 PolarHBondContact N-O 3.13Å; D143-K148 PolarHBondContact O-N 2.85Å |
| 144 | M | 97 | Very high | 96.5 | Very high | 43 Ų | 43 | 60.8 Ų | 60.8 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.2 | 179.9 | -61.8 | -57.5 | -63 | 0 | 0 | 113.7 | V114 V130 F131 V134 F142 | V114-M144 HydrophobicContact CB-CE 4.38Å; V114-M144 HydrophobicContact CB-SD 4.38Å; V114-M144 HydrophobicContact CG1-CE 4.17Å; V114-M144 HydrophobicContact CG1-SD 3.63Å; V130-M144 WeakPolarHBondContact CG1-O 3.49Å; F131-M144 HydrophobicContact CB-CE 3.86Å; F131-M144 WeakPolarHBondContact O-CE 3.29Å; V134-M144 HydrophobicContact CG2-CE 3.55Å; V134-M144 HydrophobicContact CG2-CG 4.05Å; V134-M144 HydrophobicContact CG2-SD 3.59Å; V134-M144 VanDerWaalsContact CG2-SD 3.59Å; F142-M144 HydrophobicContact CD1-CG 4.48Å; F142-M144 HydrophobicContact CD1-SD 3.5Å; F142-M144 WeakPolarHBondContact CD1-SD 3.39Å; F142-M144 HydrophobicContact CE1-SD 3.84Å; F142-M144 PolarHBondContact O-N 2.8Å |
| 145 | F | 96.5 | Very high | 96.5 | Very high | 192 Ų | 192 | 57.6 Ų | 57.6 | 84% | 0.842 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -39.5 | 178.3 | -66.1 | -80.9 | 0 | 0 | 0 | 111.4 | D143 | D143-F145 VanDerWaalsContact C-N 3.3Å; D143-F145 PolarHBondContact O-N 2.91Å; D143-F145 WeakPolarHBondContact OD1-CA 3.47Å; D143-F145 WeakPolarHBondContact OD1-CB 3.46Å; D143-F145 PolarHBondContact OD1-N 2.86Å |
| 146 | Q | 96.7 | Very high | 96.5 | Very high | 110 Ų | 110 | 54.4 Ų | 54.4 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -19.5 | 179.3 | -62.5 | -169.3 | -24.7 | 0 | 0 | 113.3 | D143 K148 | D143-Q146 HydrophobicContact CB-CB 4.23Å; D143-Q146 PolarHBondContact OD1-N 3.3Å; D143-Q146 WeakPolarHBondContact OD2-CG 3.4Å; Q146-K148 HydrophobicContact CB-CB 4.37Å; Q146-K148 HydrophobicContact CB-CD 4.25Å; Q146-K148 HydrophobicContact CB-CG 3.98Å |
| 147 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 33.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F142 D143 W211 | F142-G147 VanDerWaalsContact CZ-C 3.43Å; D143-G147 WeakPolarHBondContact O-CA 3.49Å; D143-G147 PolarHBondContact O-N 2.84Å; G147-W211 WeakPolarHBondContact O-CB 3.49Å |
| 148 | K | 98.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 29% | 0.291 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 133.1 | -172 | -57.1 | -171.3 | 175.6 | -179.4 | 0 | 111.8 | D143 Q146 W211 | D143-K148 PolarHBondContact N-O 3.13Å; D143-K148 PolarHBondContact O-N 2.85Å; Q146-K148 HydrophobicContact CB-CB 4.37Å; Q146-K148 HydrophobicContact CB-CD 4.25Å; Q146-K148 HydrophobicContact CB-CG 3.98Å; K148-W211 HydrophobicContact CB-CB 4.2Å; K148-W211 HydrophobicContact CD-CG 4.37Å; K148-W211 HydrophobicContact CG-CB 3.77Å; K148-W211 HydrophobicContact CG-CG 4.04Å |
| 149 | F | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 133.6 | 161.7 | 173.9 | -104.4 | 0 | 0 | 0 | 109.5 | S110 F112 D141 F142 C151 Y157 F159 L204 A209 V210 | S110-F149 WeakPolarHBondContact OG-CE2 3.38Å; S110-F149 WeakPolarHBondContact OG-CZ 3.44Å; F112-F149 HydrophobicContact CD1-CB 4.33Å; F112-F149 AromaticContact CD1-CD2 3.36Å; F112-F149 HydrophobicContact CD1-CD2 3.36Å; F112-F149 AromaticContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CE2 3.9Å; F112-F149 HydrophobicContact CD1-CG 4.04Å; F112-F149 HydrophobicContact CE1-CB 3.65Å; F112-F149 HydrophobicContact CE1-CD1 4.37Å; F112-F149 AromaticContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CD2 3.34Å; F112-F149 HydrophobicContact CE1-CE2 4.06Å; F112-F149 AromaticContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CE1-CG 3.52Å; F112-F149 HydrophobicContact CG-CD2 4.45Å; F112-F149 HydrophobicContact CZ-CB 3.97Å; F112-F149 HydrophobicContact CZ-CD2 4.43Å; F112-F149 HydrophobicContact CZ-CG 4.32Å; D141-F149 HydrophobicContact CB-CD2 4.06Å; D141-F149 HydrophobicContact CB-CE2 3.57Å; D141-F149 HydrophobicContact CB-CZ 4.46Å; D141-F149 CarbonylContact O-C 3.57Å; D141-F149 WeakPolarHBondContact O-CA 3.36Å; F142-F149 HydrophobicContact CD2-CB 3.93Å; F142-F149 HydrophobicContact CE2-CB 4.44Å; F149-C151 HydrophobicContact CE1-CB 4.09Å; F149-Y157 HydrophobicContact CE1-CD1 4.24Å; F149-Y157 HydrophobicContact CE1-CE1 4.06Å; F149-Y157 HydrophobicContact CZ-CD1 4.1Å; F149-Y157 AromaticContact CZ-CE1 3.6Å; F149-Y157 HydrophobicContact CZ-CE1 3.6Å; F149-F159 HydrophobicContact CB-CE1 4.48Å; F149-F159 AromaticContact CD1-CE1 3.92Å; F149-F159 HydrophobicContact CD1-CE1 3.92Å; F149-F159 AromaticContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CE1-CE1 4.44Å; F149-F159 HydrophobicContact CE1-CZ 4.01Å; F149-F159 HydrophobicContact CG-CE1 4.24Å; F149-L204 HydrophobicContact CD1-CD1 4.27Å; F149-L204 HydrophobicContact CE1-CD1 3.78Å; F149-A209 CarbonylContact O-C 3.5Å; F149-A209 WeakPolarHBondContact O-CA 3.47Å; F149-V210 HydrophobicContact CB-CB 4.44Å; F149-V210 WeakPolarHBondContact CB-O 3.47Å; F149-V210 HydrophobicContact CD1-CB 4.27Å; F149-V210 HydrophobicContact CD1-CG2 4.43Å; F149-V210 PolarHBondContact N-O 2.64Å; F149-V210 PolarHBondContact O-N 2.96Å |
| 150 | L | 98.1 | Very high | 97.4 | Very high | 94 Ų | 94 | 45.3 Ų | 45.3 | 49% | 0.492 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.3 | 173.4 | -172.6 | 68.9 | 0 | 0 | 0 | 109.5 | D141 R152 R207 | D141-L150 PolarHBondContact O-N 3.16Å; L150-R152 PolarHBondContact O-N 3.36Å; L150-R152 VanDerWaalsContact O-N 3.15Å; L150-R207 HydrophobicContact CD1-CB 4.43Å; L150-R207 WeakPolarHBondContact CD1-O 3.42Å |
| 151 | C | 97.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -67.2 | 113.9 | -179.1 | -177.7 | 0 | 0 | 0 | 0 | 111 | F149 V153 L204 R205 P206 R207 D208 | F149-C151 HydrophobicContact CE1-CB 4.09Å; C151-V153 PolarHBondContact SG-O 3.26Å; C151-L204 HydrophobicContact CB-CB 4.02Å; C151-L204 HydrophobicContact CB-CD1 4.06Å; C151-L204 VanDerWaalsContact SG-CB 3.56Å; C151-R205 VanDerWaalsContact CB-O 3.3Å; C151-R205 WeakPolarHBondContact CB-O 3.44Å; C151-R205 PolarHBondContact SG-O 2.78Å; C151-P206 CarbonylContact O-C 3.58Å; C151-P206 WeakPolarHBondContact O-CA 3.47Å; C151-R207 PolarHBondContact O-N 3.35Å; C151-D208 HydrophobicContact CB-CB 4.23Å; C151-D208 VanDerWaalsContact CB-O 3.3Å; C151-D208 WeakPolarHBondContact CB-O 3.38Å; C151-D208 PolarHBondContact N-O 3.47Å | ||
| 152 | R | 95.5 | Very high | 97.7 | Very high | 120 Ų | 120 | 43.6 Ų | 43.6 | 45% | 0.453 | 21% | 0.214 | S | C | . | . | trans | -90.9 | -39.4 | 171.6 | 179.4 | 172.5 | 51 | 83.5 | 14.3 | 112.5 | H109 D139 D141 L150 | H109-R152 PolarHBondContact O-NH2 3.19Å; H109-R152 VanDerWaalsContact O-NH2 3.15Å; D139-R152 IonicContact OD1-NH2 2.84Å; D139-R152 IonicContact OD2-NH2 2.92Å; D139-R152 PolarHBondContact OD2-NH2 3.44Å; D141-R152 WeakPolarHBondContact OD1-CB 3.44Å; D141-R152 IonicContact OD1-CZ 3.15Å; D141-R152 IonicContact OD1-NE 3.64Å; D141-R152 PolarHBondContact OD1-NE 2.99Å; D141-R152 IonicContact OD1-NH2 3.64Å; D141-R152 IonicContact OD2-CZ 3.86Å; D141-R152 IonicContact OD2-NE 3.55Å; D141-R152 PolarHBondContact OD2-NE 3.43Å; D141-R152 IonicContact OD2-NH2 3.89Å; D141-R152 PolarHBondContact OD2-NH2 3.15Å; L150-R152 PolarHBondContact O-N 3.36Å; L150-R152 VanDerWaalsContact O-N 3.15Å | ||
| 153 | V | 95.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 43.5 Ų | 43.5 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -108.2 | 120.3 | -178.1 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | P108 C151 Y157 L238 A241 | P108-V153 HydrophobicContact CB-CG1 3.73Å; P108-V153 HydrophobicContact CB-CG2 4.03Å; P108-V153 HydrophobicContact CG-CG1 4Å; C151-V153 PolarHBondContact SG-O 3.26Å; V153-Y157 VanDerWaalsContact O-CE2 3.26Å; V153-Y157 WeakPolarHBondContact O-CE2 3.37Å; V153-Y157 PolarHBondContact O-OH 2.98Å; V153-L238 HydrophobicContact CB-CD2 4.22Å; V153-L238 HydrophobicContact CG1-CD2 3.8Å; V153-A241 HydrophobicContact CG1-CB 4.35Å |
| 154 | A | 97 | Very high | 97.7 | Very high | 38 Ų | 38 | 41.8 Ų | 41.8 | 31% | 0.314 | 20% | 0.204 | S | C | . | . | trans | -59.3 | 140.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L204 P206 G242 | A154-L204 WeakPolarHBondContact CA-O 3.27Å; A154-P206 HydrophobicContact CB-CG 4.13Å; A154-G242 PolarHBondContact O-N 3.21Å | ||
| 155 | G | 97.2 | Very high | 97.8 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 6% | 0.062 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.2 | -166.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | E203 L204 K240 | G155-E203 WeakPolarHBondContact O-CA 3.32Å; G155-L204 PolarHBondContact N-O 2.99Å; G155-L204 PolarHBondContact O-N 2.94Å; G155-K240 CarbonylContact C-O 3.54Å; G155-K240 VanDerWaalsContact CA-O 3.25Å; G155-K240 WeakPolarHBondContact CA-O 3.41Å |
| 156 | V | 98 | Very high | 97.8 | Very high | 44 Ų | 44 | 34.7 Ų | 34.7 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124.3 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | M201 I239 K240 | V156-M201 HydrophobicContact CG1-CE 3.56Å; V156-I239 WeakPolarHBondContact O-CB 3.3Å; V156-I239 PolarHBondContact O-N 3.22Å; V156-K240 PolarHBondContact N-O 2.95Å; V156-K240 PolarHBondContact O-N 2.88Å |
| 157 | Y | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.1 | -179.1 | -73.4 | -102.8 | 0 | 0 | 0 | 110.8 | F149 V153 F159 M201 L202 L204 Y237 L238 | F149-Y157 HydrophobicContact CE1-CD1 4.24Å; F149-Y157 HydrophobicContact CE1-CE1 4.06Å; F149-Y157 HydrophobicContact CZ-CD1 4.1Å; F149-Y157 AromaticContact CZ-CE1 3.6Å; F149-Y157 HydrophobicContact CZ-CE1 3.6Å; V153-Y157 VanDerWaalsContact O-CE2 3.26Å; V153-Y157 WeakPolarHBondContact O-CE2 3.37Å; V153-Y157 PolarHBondContact O-OH 2.98Å; Y157-F159 HydrophobicContact CD1-CZ 4.38Å; Y157-F159 HydrophobicContact CG-CE2 4.28Å; Y157-F159 HydrophobicContact CG-CZ 4.28Å; Y157-M201 CarbonylContact O-C 3.6Å; Y157-M201 WeakPolarHBondContact O-CA 3.32Å; Y157-L202 PolarHBondContact N-O 2.73Å; Y157-L202 PolarHBondContact O-N 3.11Å; Y157-L204 HydrophobicContact CD2-CB 4.04Å; Y157-L204 HydrophobicContact CD2-CD1 3.64Å; Y157-L204 HydrophobicContact CD2-CG 3.87Å; Y157-L204 HydrophobicContact CE2-CB 4.2Å; Y157-L204 HydrophobicContact CE2-CD1 4.12Å; Y157-L204 HydrophobicContact CE2-CG 4.46Å; Y157-L204 HydrophobicContact CG-CD1 3.89Å; Y157-L204 HydrophobicContact CG-CG 4.45Å; Y157-Y237 VanDerWaalsContact CA-O 3.31Å; Y157-Y237 WeakPolarHBondContact CA-O 3.43Å; Y157-L238 HydrophobicContact CD1-CB 4.13Å; Y157-L238 HydrophobicContact CD2-CD1 4.09Å; Y157-L238 HydrophobicContact CE1-CB 3.65Å; Y157-L238 HydrophobicContact CE1-CD1 4.2Å; Y157-L238 HydrophobicContact CE1-CG 4.49Å; Y157-L238 HydrophobicContact CE2-CD1 3.62Å |
| 158 | F | 98.7 | Very high | 97.7 | Very high | 52 Ų | 52 | 39.2 Ų | 39.2 | 23% | 0.228 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.9 | 164.9 | 177.1 | -92.2 | 0 | 0 | 0 | 109.4 | N160 M201 G236 Y237 I239 | F158-N160 HydrophobicContact CD1-CB 4.46Å; F158-N160 HydrophobicContact CE1-CB 3.57Å; F158-N160 HydrophobicContact CZ-CB 4.06Å; F158-M201 HydrophobicContact CB-CG 4.44Å; F158-M201 HydrophobicContact CD2-CG 3.99Å; F158-G236 WeakPolarHBondContact O-CA 3.47Å; F158-Y237 HydrophobicContact CB-CD1 4.45Å; F158-Y237 HydrophobicContact CB-CE1 3.92Å; F158-Y237 HydrophobicContact CB-CE2 4.21Å; F158-Y237 HydrophobicContact CD1-CD1 4.19Å; F158-Y237 AromaticContact CD1-CE1 3.39Å; F158-Y237 HydrophobicContact CD1-CE1 3.39Å; F158-Y237 AromaticContact CD1-CZ 3.86Å; F158-Y237 HydrophobicContact CE1-CE1 4.19Å; F158-Y237 AromaticContact CG-CE1 3.97Å; F158-Y237 HydrophobicContact CG-CE1 3.97Å; F158-Y237 PolarHBondContact N-O 3.46Å; F158-Y237 PolarHBondContact O-N 2.8Å; F158-I239 HydrophobicContact CB-CD1 3.58Å; F158-I239 HydrophobicContact CB-CG1 4.15Å |
| 159 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.3 | 172 | -65 | -84.5 | 0 | 0 | 0 | 110.3 | F112 F149 Y157 S199 V200 L202 L204 V210 F234 N235 | F112-F159 HydrophobicContact CE1-CD1 4.2Å; F112-F159 AromaticContact CE1-CE1 3.71Å; F112-F159 HydrophobicContact CE1-CE1 3.71Å; F112-F159 AromaticContact CZ-CD1 3.94Å; F112-F159 HydrophobicContact CZ-CD1 3.94Å; F112-F159 AromaticContact CZ-CE1 3.84Å; F112-F159 HydrophobicContact CZ-CE1 3.84Å; F149-F159 HydrophobicContact CB-CE1 4.48Å; F149-F159 AromaticContact CD1-CE1 3.92Å; F149-F159 HydrophobicContact CD1-CE1 3.92Å; F149-F159 AromaticContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CD1-CZ 3.79Å; F149-F159 HydrophobicContact CE1-CE1 4.44Å; F149-F159 HydrophobicContact CE1-CZ 4.01Å; F149-F159 HydrophobicContact CG-CE1 4.24Å; Y157-F159 HydrophobicContact CD1-CZ 4.38Å; Y157-F159 HydrophobicContact CG-CE2 4.28Å; Y157-F159 HydrophobicContact CG-CZ 4.28Å; F159-S199 CarbonylContact O-C 3.53Å; F159-S199 WeakPolarHBondContact O-CA 3.39Å; F159-S199 WeakPolarHBondContact O-CB 3.23Å; F159-V200 HydrophobicContact CB-CG1 4.29Å; F159-V200 PolarHBondContact N-O 2.68Å; F159-V200 PolarHBondContact O-N 3.09Å; F159-L202 HydrophobicContact CD2-CB 4.42Å; F159-L202 HydrophobicContact CD2-CD1 3.99Å; F159-L202 HydrophobicContact CD2-CG 4.32Å; F159-L202 HydrophobicContact CE2-CB 4.27Å; F159-L202 HydrophobicContact CE2-CD1 4.18Å; F159-L204 HydrophobicContact CE2-CD1 3.91Å; F159-L204 HydrophobicContact CZ-CD1 3.76Å; F159-V210 HydrophobicContact CD1-CB 4.45Å; F159-V210 HydrophobicContact CD1-CG1 3.85Å; F159-V210 HydrophobicContact CD2-CG1 4.11Å; F159-V210 HydrophobicContact CE1-CB 3.83Å; F159-V210 HydrophobicContact CE1-CG1 3.73Å; F159-V210 HydrophobicContact CE1-CG2 4.27Å; F159-V210 HydrophobicContact CE2-CB 4.24Å; F159-V210 HydrophobicContact CE2-CG1 4.02Å; F159-V210 HydrophobicContact CE2-CG2 3.87Å; F159-V210 HydrophobicContact CG-CG1 4.03Å; F159-V210 HydrophobicContact CZ-CB 3.74Å; F159-V210 HydrophobicContact CZ-CG1 3.85Å; F159-V210 HydrophobicContact CZ-CG2 3.65Å; F159-F234 HydrophobicContact CB-CE2 4.25Å; F159-F234 HydrophobicContact CD1-CE2 4.09Å; F159-F234 AromaticContact CD1-CZ 3.87Å; F159-F234 HydrophobicContact CD1-CZ 3.87Å; F159-N235 CarbonylContact C-O 3.6Å; F159-N235 VanDerWaalsContact CA-O 3.32Å; F159-N235 WeakPolarHBondContact CA-O 3.4Å |
| 160 | N | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 38.5 Ų | 38.5 | 14% | 0.139 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.9 | 173.3 | 154.5 | -99.8 | 0 | 0 | 0 | 109.8 | F158 N162 Q198 F234 N235 | F158-N160 HydrophobicContact CD1-CB 4.46Å; F158-N160 HydrophobicContact CE1-CB 3.57Å; F158-N160 HydrophobicContact CZ-CB 4.06Å; N160-N162 PolarHBondContact ND2-OD1 2.62Å; N160-N162 PolarHBondContact OD1-ND2 2.93Å; N160-Q198 WeakPolarHBondContact CA-O 3.44Å; N160-Q198 PolarHBondContact ND2-O 2.92Å; N160-F234 WeakPolarHBondContact O-CA 3.23Å; N160-F234 WeakPolarHBondContact O-CD2 3.21Å; N160-N235 PolarHBondContact N-O 3.32Å; N160-N235 PolarHBondContact O-N 2.93Å; N160-N235 PolarHBondContact OD1-ND2 3.44Å |
| 161 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.7 | 169.9 | 68 | 0 | 0 | 0 | 0 | 108.9 | I163 I175 V185 S197 Q198 V212 T233 F234 | V161-I163 HydrophobicContact CG2-CD1 3.77Å; V161-I163 HydrophobicContact CG2-CG1 3.89Å; V161-I175 HydrophobicContact CG1-CD1 3.91Å; V161-I175 HydrophobicContact CG1-CG1 4.17Å; V161-V185 HydrophobicContact CG1-CG2 3.53Å; V161-S197 WeakPolarHBondContact O-CA 3.38Å; V161-Q198 HydrophobicContact CG1-CB 4.07Å; V161-Q198 PolarHBondContact N-O 2.98Å; V161-Q198 PolarHBondContact O-N 2.82Å; V161-V212 HydrophobicContact CG2-CG2 4.13Å; V161-T233 WeakPolarHBondContact CA-O 3.22Å; V161-F234 HydrophobicContact CB-CD2 4.06Å; V161-F234 HydrophobicContact CG2-CD2 4.41Å |
| 162 | N | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 19% | 0.187 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 135.2 | 171.3 | -48 | -59 | 0 | 0 | 0 | 108.5 | N160 Q196 S197 I232 T233 | N160-N162 PolarHBondContact ND2-OD1 2.62Å; N160-N162 PolarHBondContact OD1-ND2 2.93Å; N162-Q196 CarbonylContact C-O 3.56Å; N162-Q196 WeakPolarHBondContact CA-O 3.26Å; N162-S197 VanDerWaalsContact OD1-CB 3.22Å; N162-S197 WeakPolarHBondContact OD1-CB 3.49Å; N162-S197 PolarHBondContact OD1-OG 3.02Å; N162-I232 WeakPolarHBondContact O-CA 3.39Å; N162-T233 WeakPolarHBondContact CB-OG1 3.33Å; N162-T233 PolarHBondContact N-O 3.17Å; N162-T233 PolarHBondContact ND2-OG1 3.11Å; N162-T233 PolarHBondContact O-N 2.87Å |
| 163 | I | 98.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134.7 | -170.4 | -56.9 | -69.9 | 0 | 0 | 0 | 109.1 | V161 T171 L173 M195 Q196 I223 I232 | V161-I163 HydrophobicContact CG2-CD1 3.77Å; V161-I163 HydrophobicContact CG2-CG1 3.89Å; I163-T171 HydrophobicContact CG2-CG2 3.94Å; I163-L173 HydrophobicContact CB-CD1 4.44Å; I163-L173 HydrophobicContact CD1-CD1 4.12Å; I163-L173 HydrophobicContact CG1-CD1 3.79Å; I163-L173 HydrophobicContact CG2-CD1 4.11Å; I163-M195 VanDerWaalsContact C-SD 3.52Å; I163-M195 VanDerWaalsContact O-SD 3.37Å; I163-Q196 PolarHBondContact N-O 2.94Å; I163-Q196 PolarHBondContact O-N 2.84Å; I163-I223 HydrophobicContact CG2-CB 3.88Å; I163-I223 HydrophobicContact CG2-CG2 3.43Å; I163-I223 VanDerWaalsContact CG2-CG2 3.43Å; I163-I232 HydrophobicContact CD1-CB 4.47Å; I163-I232 HydrophobicContact CD1-CG1 4.28Å; I163-I232 HydrophobicContact CD1-CG2 3.74Å |
| 164 | H | 98.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 12% | 0.116 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.7 | 167.8 | -172.3 | -178.7 | 0 | 0 | 0 | 109.7 | S193 I194 M195 Y224 Y231 | H164-S193 WeakPolarHBondContact NE2-CB 3.48Å; H164-S193 PolarHBondContact NE2-OG 2.83Å; H164-I194 PolarHBondContact CD2-O 3.16Å; H164-M195 HydrophobicContact CB-CE 3.84Å; H164-M195 HydrophobicContact CB-SD 4.22Å; H164-Y224 AromaticContact CE1-CD1 3.76Å; H164-Y224 AromaticContact ND1-CD1 3.45Å; H164-Y224 WeakPolarHBondContact ND1-CD1 3.42Å; H164-Y224 PolarHBondContact O-N 3.33Å; H164-Y231 HydrophobicContact CB-CD1 4.33Å; H164-Y231 HydrophobicContact CB-CG 4.09Å; H164-Y231 AromaticContact ND1-CD1 3.4Å; H164-Y231 WeakPolarHBondContact ND1-CD1 3.4Å; H164-Y231 AromaticContact ND1-CE1 3.72Å; H164-Y231 AromaticContact ND1-CG 3.53Å |
| 165 | T | 98 | Very high | 97.9 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 5% | 0.049 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 151.7 | -180 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | T171 A187 S193 I194 Q196 | T165-T171 HydrophobicContact CG2-CG2 4.42Å; T165-A187 HydrophobicContact CG2-CB 3.7Å; T165-S193 WeakPolarHBondContact O-CB 3.48Å; T165-S193 WeakPolarHBondContact OG1-CA 3.22Å; T165-I194 HydrophobicContact CG2-CG1 3.87Å; T165-I194 PolarHBondContact N-O 3.07Å; T165-I194 PolarHBondContact OG1-N 2.93Å; T165-I194 PolarHBondContact OG1-O 3.38Å; T165-Q196 HydrophobicContact CG2-CG 3.85Å |
| 166 | W | 97.1 | Very high | 98 | Very high | 78 Ų | 78 | 28.1 Ų | 28.1 | 30% | 0.295 | 13% | 0.13 | S | C | . | . | P | Polyproline II helix | trans | -96.5 | 133.6 | 177.9 | -173.4 | -67.2 | 0 | 0 | 0 | 110.4 | S119 F168 K169 A222 Y224 | S119-W166 VanDerWaalsContact CB-CZ3 3.44Å; S119-W166 WeakPolarHBondContact OG-CZ3 3.18Å; W166-F168 PolarHBondContact O-N 3.47Å; W166-K169 HydrophobicContact CB-CB 4.11Å; W166-K169 HydrophobicContact CG-CB 4.32Å; W166-K169 HydrophobicContact CG-CG 4.22Å; W166-K169 PolarHBondContact O-N 3Å; W166-K169 VanDerWaalsContact O-N 3.11Å; W166-A222 HydrophobicContact CB-CB 3.95Å; W166-A222 HydrophobicContact CG-CB 4.19Å; W166-Y224 HydrophobicContact CD2-CD2 4.06Å; W166-Y224 AromaticContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CG 4.11Å; W166-Y224 HydrophobicContact CH2-CD2 4.18Å; W166-Y224 AromaticContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CE2 4.25Å; W166-Y224 HydrophobicContact CZ3-CG 4.47Å |
| 167 | N | 96.4 | Very high | 98 | Very high | 65 Ų | 65 | 26.9 Ų | 26.9 | 35% | 0.348 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 132.8 | -178.9 | -72.6 | -6.8 | 0 | 0 | 0 | 112 | K169 S190 D191 S193 | N167-K169 PolarHBondContact O-N 2.87Å; N167-S190 CarbonylContact C-O 3.59Å; N167-S190 WeakPolarHBondContact CA-O 3.47Å; N167-D191 PolarHBondContact ND2-O 2.92Å; N167-D191 PolarHBondContact OD1-O 2.88Å; N167-S193 WeakPolarHBondContact OD1-CA 3.48Å; N167-S193 WeakPolarHBondContact OD1-CB 3.32Å; N167-S193 PolarHBondContact OD1-N 3.07Å |
| 168 | F | 96.6 | Very high | 98 | Very high | 139 Ų | 139 | 29.5 Ų | 29.5 | 61% | 0.61 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 12.4 | -179.6 | -44.6 | -76 | 0 | 0 | 0 | 115 | W166 S190 D191 | W166-F168 PolarHBondContact O-N 3.47Å; F168-S190 PolarHBondContact N-O 2.85Å; F168-D191 HydrophobicContact CD1-CB 4.34Å; F168-D191 HydrophobicContact CE1-CB 3.45Å; F168-D191 VanDerWaalsContact CE1-CB 3.45Å; F168-D191 HydrophobicContact CZ-CB 3.7Å |
| 169 | K | 97 | Very high | 97.9 | Very high | 40 Ų | 40 | 33.8 Ų | 33.8 | 17% | 0.174 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -118.4 | 149.6 | 175 | -66.7 | -69.5 | 172.1 | -178 | 0 | 110.5 | W166 N167 P189 R219 E220 A222 | W166-K169 HydrophobicContact CB-CB 4.11Å; W166-K169 HydrophobicContact CG-CB 4.32Å; W166-K169 HydrophobicContact CG-CG 4.22Å; W166-K169 PolarHBondContact O-N 3Å; W166-K169 VanDerWaalsContact O-N 3.11Å; N167-K169 PolarHBondContact O-N 2.87Å; K169-P189 WeakPolarHBondContact O-CA 3.47Å; K169-R219 WeakPolarHBondContact CD-O 3.2Å; K169-R219 WeakPolarHBondContact CE-O 3.34Å; K169-R219 PolarHBondContact NZ-O 2.77Å; K169-E220 IonicContact NZ-OE1 2.82Å; K169-E220 PolarHBondContact NZ-OE1 2.97Å; K169-E220 IonicContact NZ-OE2 3.56Å; K169-E220 PolarHBondContact NZ-OE2 2.87Å; K169-A222 HydrophobicContact CB-CB 3.97Å; K169-A222 HydrophobicContact CG-CB 4.18Å |
| 170 | E | 96.6 | Very high | 97.9 | Very high | 13 Ų | 13 | 37 Ų | 37 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -71.2 | 147.4 | 171.1 | -170 | -179.9 | -119.2 | 0 | 0 | 108.4 | Y186 P189 R217 E220 N221 A222 | E170-Y186 HydrophobicContact CG-CE2 3.91Å; E170-Y186 WeakPolarHBondContact OE1-CE2 3.36Å; E170-Y186 PolarHBondContact OE1-OH 3.35Å; E170-P189 HydrophobicContact CB-CG 4.12Å; E170-R217 IonicContact OE1-CZ 3.65Å; E170-R217 IonicContact OE1-NH1 2.85Å; E170-R217 PolarHBondContact OE1-NH1 2.98Å; E170-R217 WeakPolarHBondContact OE2-CD 3.34Å; E170-R217 IonicContact OE2-CZ 3.33Å; E170-R217 IonicContact OE2-NE 3.56Å; E170-R217 IonicContact OE2-NH1 2.64Å; E170-R217 PolarHBondContact OE2-NH1 2.85Å; E170-E220 PolarHBondContact N-O 2.66Å; E170-N221 CarbonylContact O-C 3.54Å; E170-N221 VanDerWaalsContact O-CA 3.27Å; E170-N221 WeakPolarHBondContact O-CA 3.32Å; E170-N221 PolarHBondContact O-OD1 3.05Å; E170-A222 PolarHBondContact O-N 2.85Å |
| 171 | T | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 112.4 | 165.2 | -65.3 | 0 | 0 | 0 | 0 | 107.5 | I163 T165 L173 Y186 A187 N221 A222 I223 | I163-T171 HydrophobicContact CG2-CG2 3.94Å; T165-T171 HydrophobicContact CG2-CG2 4.42Å; T171-L173 HydrophobicContact CG2-CD1 3.72Å; T171-Y186 CarbonylContact O-C 3.47Å; T171-Y186 VanDerWaalsContact O-CA 3.23Å; T171-Y186 WeakPolarHBondContact O-CA 3.17Å; T171-A187 PolarHBondContact N-O 3.43Å; T171-A187 PolarHBondContact O-N 2.97Å; T171-N221 WeakPolarHBondContact CA-OD1 3.36Å; T171-A222 PolarHBondContact OG1-O 3.32Å; T171-I223 HydrophobicContact CG2-CG2 4.02Å |
| 172 | Y | 97.9 | Very high | 97.8 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 21% | 0.212 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 108 | -179.9 | -166.9 | 176.8 | 0 | 0 | 0 | 110.5 | H174 I184 V185 Y186 F215 N221 | Y172-H174 AromaticContact CE2-CD2 3.6Å; Y172-H174 AromaticContact CE2-NE2 3.23Å; Y172-H174 WeakPolarHBondContact CE2-NE2 3.35Å; Y172-H174 AromaticContact CZ-NE2 3.62Å; Y172-I184 HydrophobicContact CE2-CB 4.3Å; Y172-I184 HydrophobicContact CE2-CG2 4.2Å; Y172-V185 WeakPolarHBondContact CA-O 3.23Å; Y172-Y186 HydrophobicContact CD1-CD2 4.21Å; Y172-Y186 HydrophobicContact CD1-CE2 4.39Å; Y172-Y186 HydrophobicContact CD2-CD2 4.21Å; Y172-Y186 AromaticContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CE2 4.49Å; Y172-F215 HydrophobicContact CD1-CB 3.94Å; Y172-F215 HydrophobicContact CD1-CD1 4.03Å; Y172-F215 HydrophobicContact CD1-CD2 4.07Å; Y172-F215 AromaticContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD2-CB 4.32Å; Y172-F215 HydrophobicContact CE1-CD1 4.31Å; Y172-F215 AromaticContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CE2 4.07Å; Y172-F215 AromaticContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CZ 4.42Å; Y172-F215 HydrophobicContact CE2-CD2 4.42Å; Y172-F215 HydrophobicContact CG-CB 3.8Å; Y172-F215 HydrophobicContact CG-CD2 4.46Å; Y172-F215 HydrophobicContact CG-CG 4.11Å; Y172-F215 VanDerWaalsContact O-CB 3.32Å; Y172-F215 WeakPolarHBondContact O-CB 3.33Å; Y172-F215 PolarHBondContact O-N 2.85Å; Y172-N221 PolarHBondContact N-OD1 2.64Å; Y172-N221 PolarHBondContact O-ND2 2.91Å |
| 173 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.2 | 178 | -52.8 | 124 | 0 | 0 | 0 | 111.1 | V129 I163 T171 I184 V185 V212 R213 L214 I223 | V129-L173 HydrophobicContact CG2-CD2 3.7Å; I163-L173 HydrophobicContact CB-CD1 4.44Å; I163-L173 HydrophobicContact CD1-CD1 4.12Å; I163-L173 HydrophobicContact CG1-CD1 3.79Å; I163-L173 HydrophobicContact CG2-CD1 4.11Å; T171-L173 HydrophobicContact CG2-CD1 3.72Å; L173-I184 CarbonylContact O-C 3.58Å; L173-I184 WeakPolarHBondContact O-CA 3.33Å; L173-V185 HydrophobicContact CB-CB 4.2Å; L173-V185 HydrophobicContact CB-CG2 4.43Å; L173-V185 HydrophobicContact CD1-CB 3.98Å; L173-V185 HydrophobicContact CD1-CG1 4.24Å; L173-V185 PolarHBondContact N-O 3.49Å; L173-V185 PolarHBondContact O-N 3.47Å; L173-V212 HydrophobicContact CB-CG1 4.07Å; L173-V212 HydrophobicContact CD2-CG1 3.73Å; L173-V212 HydrophobicContact CG-CG1 4.48Å; L173-R213 CarbonylContact C-O 3.58Å; L173-R213 VanDerWaalsContact CA-O 3.26Å; L173-R213 WeakPolarHBondContact CA-O 3.27Å; L173-L214 HydrophobicContact CD2-CB 4.3Å; L173-L214 HydrophobicContact CD2-CD1 3.54Å; L173-L214 HydrophobicContact CG-CD1 3.89Å; L173-I223 HydrophobicContact CD1-CG2 3.88Å; L173-I223 HydrophobicContact CD2-CG2 4.16Å; L173-I223 HydrophobicContact CG-CG2 4.38Å |
| 174 | H | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 139.1 | 169.3 | -57.8 | 165.1 | 0 | 0 | 0 | 110.6 | Y172 M176 E181 A183 V212 R213 F215 | Y172-H174 AromaticContact CE2-CD2 3.6Å; Y172-H174 AromaticContact CE2-NE2 3.23Å; Y172-H174 WeakPolarHBondContact CE2-NE2 3.35Å; Y172-H174 AromaticContact CZ-NE2 3.62Å; H174-M176 HydrophobicContact CB-CG 4.31Å; H174-M176 HydrophobicContact CB-SD 3.49Å; H174-M176 WeakPolarHBondContact CB-SD 3.37Å; H174-E181 HydrophobicContact CB-CG 4.21Å; H174-E181 WeakPolarHBondContact ND1-CG 3.32Å; H174-E181 IonicContact ND1-OE1 2.87Å; H174-A183 CarbonylContact C-O 3.29Å; H174-A183 WeakPolarHBondContact CA-O 3.18Å; H174-V212 CarbonylContact O-C 3.27Å; H174-V212 WeakPolarHBondContact O-CA 3.44Å; H174-R213 HydrophobicContact CB-CB 4.4Å; H174-R213 PolarHBondContact CE1-NH2 2.86Å; H174-R213 VanDerWaalsContact CE1-NH2 3.28Å; H174-R213 PolarHBondContact N-O 3.03Å; H174-R213 PolarHBondContact ND1-NH2 2.89Å; H174-R213 PolarHBondContact O-N 3.32Å; H174-F215 AromaticContact CE1-CD2 3.77Å; H174-F215 AromaticContact NE2-CD2 3.85Å |
| 175 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.4 | 157.2 | -53.3 | -179.1 | 0 | 0 | 0 | 106.4 | V161 R182 A183 Q198 V200 V210 | V161-I175 HydrophobicContact CG1-CD1 3.91Å; V161-I175 HydrophobicContact CG1-CG1 4.17Å; I175-R182 PolarHBondContact O-N 2.85Å; I175-A183 HydrophobicContact CB-CB 4.29Å; I175-A183 HydrophobicContact CD1-CB 4.19Å; I175-A183 HydrophobicContact CG1-CB 4.4Å; I175-A183 PolarHBondContact N-O 2.84Å; I175-A183 PolarHBondContact O-N 2.91Å; I175-Q198 HydrophobicContact CD1-CB 4.43Å; I175-Q198 HydrophobicContact CD1-CG 4.13Å; I175-V200 HydrophobicContact CD1-CG1 4.06Å; I175-V200 HydrophobicContact CG2-CG1 4.03Å; I175-V210 HydrophobicContact CG2-CG1 4.22Å |
| 176 | M | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140.1 | -175.8 | -57.5 | -60.2 | -58.3 | 0 | 0 | 110.3 | H174 T180 E181 V210 W211 R213 | H174-M176 HydrophobicContact CB-CG 4.31Å; H174-M176 HydrophobicContact CB-SD 3.49Å; H174-M176 WeakPolarHBondContact CB-SD 3.37Å; M176-T180 WeakPolarHBondContact CA-O 3.26Å; M176-E181 HydrophobicContact CE-CG 4.08Å; M176-E181 HydrophobicContact SD-CB 4.34Å; M176-E181 HydrophobicContact SD-CG 3.8Å; M176-V210 VanDerWaalsContact O-CA 3.29Å; M176-V210 WeakPolarHBondContact O-CA 3.41Å; M176-V210 WeakPolarHBondContact O-CG1 3.37Å; M176-W211 HydrophobicContact CB-CD2 3.92Å; M176-W211 HydrophobicContact CB-CG 4.01Å; M176-W211 HydrophobicContact CB-CZ2 4.12Å; M176-W211 WeakPolarHBondContact CB-O 3.38Å; M176-W211 HydrophobicContact CE-CZ2 4.47Å; M176-W211 HydrophobicContact CG-CD2 3.96Å; M176-W211 HydrophobicContact CG-CE3 4.31Å; M176-W211 HydrophobicContact CG-CH2 4.21Å; M176-W211 HydrophobicContact CG-CZ2 3.82Å; M176-W211 HydrophobicContact CG-CZ3 4.44Å; M176-W211 PolarHBondContact N-O 2.95Å; M176-W211 PolarHBondContact O-N 2.94Å; M176-W211 VanDerWaalsContact O-N 3.16Å; M176-R213 HydrophobicContact CG-CB 3.65Å; M176-R213 HydrophobicContact SD-CB 4.07Å |
| 177 | Q | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 8% | 0.084 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.6 | 158.5 | -178.2 | -175.1 | 10.3 | 0 | 0 | 107.4 | D179 T180 R182 L202 E203 L204 D208 A209 | Q177-D179 PolarHBondContact O-N 2.87Å; Q177-D179 VanDerWaalsContact O-N 3.12Å; Q177-T180 PolarHBondContact N-O 3.28Å; Q177-T180 PolarHBondContact O-N 2.81Å; Q177-R182 HydrophobicContact CB-CG 3.66Å; Q177-R182 VanDerWaalsContact OE1-CZ 3.25Å; Q177-L202 HydrophobicContact CB-CD1 4.34Å; Q177-E203 PolarHBondContact NE2-O 2.86Å; Q177-E203 VanDerWaalsContact NE2-O 3.14Å; Q177-L204 HydrophobicContact CG-CD2 4.05Å; Q177-D208 PolarHBondContact NE2-OD2 2.82Å; Q177-A209 CarbonylContact C-O 3.56Å; Q177-A209 WeakPolarHBondContact CA-O 3.48Å |
| 178 | N | 98.1 | Very high | 97.8 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 30% | 0.299 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | -114.7 | -169.3 | -57 | -35.9 | 0 | 0 | 0 | 109.5 | D208 A209 W211 | N178-D208 PolarHBondContact ND2-OD1 3.25Å; N178-D208 WeakPolarHBondContact OD1-CA 3.21Å; N178-A209 PolarHBondContact N-O 3.46Å; N178-A209 PolarHBondContact OD1-N 2.9Å; N178-W211 PolarHBondContact O-NE1 3.48Å |
| 179 | D | 97.3 | Very high | 97.8 | Very high | 142 Ų | 142 | 49.1 Ų | 49.1 | 76% | 0.759 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 0.8 | 179.5 | -59.6 | -54 | 0 | 0 | 0 | 113.7 | Q177 | Q177-D179 PolarHBondContact O-N 2.87Å; Q177-D179 VanDerWaalsContact O-N 3.12Å |
| 180 | T | 98 | Very high | 97.8 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 41% | 0.411 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.4 | -178.9 | -43.7 | 0 | 0 | 0 | 0 | 112.3 | M176 Q177 | M176-T180 WeakPolarHBondContact CA-O 3.26Å; Q177-T180 PolarHBondContact N-O 3.28Å; Q177-T180 PolarHBondContact O-N 2.81Å |
| 181 | E | 97.8 | Very high | 97.8 | Very high | 87 Ų | 87 | 54.6 Ų | 54.6 | 41% | 0.407 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 129 | 171 | -58.1 | 77.2 | -173.6 | 0 | 0 | 110.5 | H174 M176 R213 | H174-E181 HydrophobicContact CB-CG 4.21Å; H174-E181 WeakPolarHBondContact ND1-CG 3.32Å; H174-E181 IonicContact ND1-OE1 2.87Å; M176-E181 HydrophobicContact CE-CG 4.08Å; M176-E181 HydrophobicContact SD-CB 4.34Å; M176-E181 HydrophobicContact SD-CG 3.8Å; E181-R213 IonicContact OE1-CZ 3.82Å; E181-R213 VanDerWaalsContact OE1-CZ 3.29Å; E181-R213 IonicContact OE1-NH1 3.42Å; E181-R213 PolarHBondContact OE1-NH1 2.83Å; E181-R213 VanDerWaalsContact OE1-NH1 3.13Å; E181-R213 IonicContact OE1-NH2 4Å; E181-R213 PolarHBondContact OE1-NH2 2.64Å |
| 182 | R | 98.3 | Very high | 97.7 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 42% | 0.415 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -39.8 | 178.8 | -65.6 | -57.6 | -172.1 | -132.5 | -3.7 | 113.4 | I175 Q177 L202 | I175-R182 PolarHBondContact O-N 2.85Å; Q177-R182 HydrophobicContact CB-CG 3.66Å; Q177-R182 VanDerWaalsContact OE1-CZ 3.25Å; R182-L202 HydrophobicContact CB-CD2 4.04Å; R182-L202 HydrophobicContact CG-CD1 4.2Å; R182-L202 HydrophobicContact CG-CD2 3.8Å |
| 183 | A | 98.1 | Very high | 97.6 | Very high | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 158.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H174 I175 Q198 V200 | H174-A183 CarbonylContact C-O 3.29Å; H174-A183 WeakPolarHBondContact CA-O 3.18Å; I175-A183 HydrophobicContact CB-CB 4.29Å; I175-A183 HydrophobicContact CD1-CB 4.19Å; I175-A183 HydrophobicContact CG1-CB 4.4Å; I175-A183 PolarHBondContact N-O 2.84Å; I175-A183 PolarHBondContact O-N 2.91Å; A183-Q198 HydrophobicContact CB-CG 4.09Å; A183-V200 HydrophobicContact CB-CB 4.43Å |
| 184 | I | 97.9 | Very high | 97.6 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 145.2 | 178.1 | 65.5 | 170.1 | 0 | 0 | 0 | 110.5 | Y172 L173 Q198 | Y172-I184 HydrophobicContact CE2-CB 4.3Å; Y172-I184 HydrophobicContact CE2-CG2 4.2Å; L173-I184 CarbonylContact O-C 3.58Å; L173-I184 WeakPolarHBondContact O-CA 3.33Å; I184-Q198 PolarHBondContact O-NE2 3.2Å |
| 185 | V | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.2 | 163 | -169.4 | 0 | 0 | 0 | 0 | 105.8 | V161 Y172 L173 Q196 Q198 | V161-V185 HydrophobicContact CG1-CG2 3.53Å; Y172-V185 WeakPolarHBondContact CA-O 3.23Å; L173-V185 HydrophobicContact CB-CB 4.2Å; L173-V185 HydrophobicContact CB-CG2 4.43Å; L173-V185 HydrophobicContact CD1-CB 3.98Å; L173-V185 HydrophobicContact CD1-CG1 4.24Å; L173-V185 PolarHBondContact N-O 3.49Å; L173-V185 PolarHBondContact O-N 3.47Å; V185-Q196 HydrophobicContact CG1-CB 3.98Å; V185-Q198 HydrophobicContact CG2-CB 3.7Å; V185-Q198 HydrophobicContact CG2-CG 4.38Å |
| 186 | Y | 97.4 | Very high | 97.5 | Very high | 95 Ų | 95 | 73.2 Ų | 73.2 | 37% | 0.373 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 132.1 | -174.8 | -178.3 | -100.9 | 0 | 0 | 0 | 111.6 | E170 T171 Y172 Q188 | E170-Y186 HydrophobicContact CG-CE2 3.91Å; E170-Y186 WeakPolarHBondContact OE1-CE2 3.36Å; E170-Y186 PolarHBondContact OE1-OH 3.35Å; T171-Y186 CarbonylContact O-C 3.47Å; T171-Y186 VanDerWaalsContact O-CA 3.23Å; T171-Y186 WeakPolarHBondContact O-CA 3.17Å; Y172-Y186 HydrophobicContact CD1-CD2 4.21Å; Y172-Y186 HydrophobicContact CD1-CE2 4.39Å; Y172-Y186 HydrophobicContact CD2-CD2 4.21Å; Y172-Y186 AromaticContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CD2 3.95Å; Y172-Y186 HydrophobicContact CG-CE2 4.49Å; Y186-Q188 HydrophobicContact CE1-CG 3.71Å; Y186-Q188 WeakPolarHBondContact OH-CG 3.16Å |
| 187 | A | 97.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 76.5 Ų | 76.5 | 9% | 0.091 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 137.4 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T165 T171 Q196 | T165-A187 HydrophobicContact CG2-CB 3.7Å; T171-A187 PolarHBondContact N-O 3.43Å; T171-A187 PolarHBondContact O-N 2.97Å; A187-Q196 HydrophobicContact CB-CG 4.2Å |
| 188 | Q | 96.1 | Very high | 97.4 | Very high | 147 Ų | 147 | 78.9 Ų | 78.9 | 69% | 0.687 | 40% | 0.401 | S | S | * | . | trans | -70.3 | 152.5 | 174 | -66.2 | 177.5 | 19.2 | 0 | 0 | 110.6 | Y186 S190 | Y186-Q188 HydrophobicContact CE1-CG 3.71Å; Y186-Q188 WeakPolarHBondContact OH-CG 3.16Å; Q188-S190 PolarHBondContact O-N 3.06Å | ||
| 189 | P | 96.9 | Very high | 97.4 | Very high | 76 Ų | 76 | 79 Ų | 79 | 49% | 0.494 | 41% | 0.407 | S | S | . | . | trans | -54.4 | 132.7 | 171.7 | -22.4 | 31.7 | 0 | 0 | 0 | 111.7 | K169 E170 | K169-P189 WeakPolarHBondContact O-CA 3.47Å; E170-P189 HydrophobicContact CB-CG 4.12Å | ||
| 190 | S | 96.6 | Very high | 97.5 | Very high | 52 Ų | 52 | 73.7 Ų | 73.7 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | trans | -145.3 | 150.4 | -178.6 | 177.2 | 0 | 0 | 0 | 0 | 110 | N167 F168 Q188 R192 | N167-S190 CarbonylContact C-O 3.59Å; N167-S190 WeakPolarHBondContact CA-O 3.47Å; F168-S190 PolarHBondContact N-O 2.85Å; Q188-S190 PolarHBondContact O-N 3.06Å; S190-R192 PolarHBondContact O-N 2.99Å; S190-R192 PolarHBondContact OG-N 2.93Å; S190-R192 PolarHBondContact OG-O 2.94Å | ||
| 191 | D | 96.6 | Very high | 97.5 | Very high | 117 Ų | 117 | 75.7 Ų | 75.7 | 63% | 0.626 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -70.5 | -17.7 | 172.7 | 65.6 | -13.7 | 0 | 0 | 0 | 112.7 | N167 F168 | N167-D191 PolarHBondContact ND2-O 2.92Å; N167-D191 PolarHBondContact OD1-O 2.88Å; F168-D191 HydrophobicContact CD1-CB 4.34Å; F168-D191 HydrophobicContact CE1-CB 3.45Å; F168-D191 VanDerWaalsContact CE1-CB 3.45Å; F168-D191 HydrophobicContact CZ-CB 3.7Å |
| 192 | R | 96.5 | Very high | 97.5 | Very high | 190 Ų | 190 | 72.2 Ų | 72.2 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -111.4 | 115 | 175.6 | -176.5 | 179.2 | -179.8 | -177.6 | 0.9 | 110.9 | S190 | S190-R192 PolarHBondContact O-N 2.99Å; S190-R192 PolarHBondContact OG-N 2.93Å; S190-R192 PolarHBondContact OG-O 2.94Å |
| 193 | S | 96.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 74.1 Ų | 74.1 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | trans | -65.2 | 145.9 | 169.9 | 64.2 | 0 | 0 | 0 | 0 | 111.6 | H164 T165 N167 | H164-S193 WeakPolarHBondContact NE2-CB 3.48Å; H164-S193 PolarHBondContact NE2-OG 2.83Å; T165-S193 WeakPolarHBondContact O-CB 3.48Å; T165-S193 WeakPolarHBondContact OG1-CA 3.22Å; N167-S193 WeakPolarHBondContact OD1-CA 3.48Å; N167-S193 WeakPolarHBondContact OD1-CB 3.32Å; N167-S193 PolarHBondContact OD1-N 3.07Å | ||
| 194 | I | 97.4 | Very high | 97.5 | Very high | 74 Ų | 74 | 73.3 Ų | 73.3 | 38% | 0.379 | 38% | 0.376 | S | S | . | . | trans | -136.3 | 159.8 | 179.4 | 60.3 | 179.4 | 0 | 0 | 0 | 110.3 | H164 T165 Q196 | H164-I194 PolarHBondContact CD2-O 3.16Å; T165-I194 HydrophobicContact CG2-CG1 3.87Å; T165-I194 PolarHBondContact N-O 3.07Å; T165-I194 PolarHBondContact OG1-N 2.93Å; T165-I194 PolarHBondContact OG1-O 3.38Å; I194-Q196 HydrophobicContact CD1-CG 4.34Å; I194-Q196 HydrophobicContact CG1-CG 4.27Å | ||
| 195 | M | 97.6 | Very high | 97.5 | Very high | 95 Ų | 95 | 78.2 Ų | 78.2 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131.8 | 168.5 | -165.9 | 59.9 | 61.3 | 0 | 0 | 109.4 | I163 H164 Y231 | I163-M195 VanDerWaalsContact C-SD 3.52Å; I163-M195 VanDerWaalsContact O-SD 3.37Å; H164-M195 HydrophobicContact CB-CE 3.84Å; H164-M195 HydrophobicContact CB-SD 4.22Å; M195-Y231 HydrophobicContact CE-CD1 3.84Å |
| 196 | Q | 97.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 81.7 Ų | 81.7 | 26% | 0.262 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.5 | 176.3 | -75.6 | -64.4 | -43.1 | 0 | 0 | 109.5 | N162 I163 T165 V185 A187 I194 | N162-Q196 CarbonylContact C-O 3.56Å; N162-Q196 WeakPolarHBondContact CA-O 3.26Å; I163-Q196 PolarHBondContact N-O 2.94Å; I163-Q196 PolarHBondContact O-N 2.84Å; T165-Q196 HydrophobicContact CG2-CG 3.85Å; V185-Q196 HydrophobicContact CG1-CB 3.98Å; A187-Q196 HydrophobicContact CB-CG 4.2Å; I194-Q196 HydrophobicContact CD1-CG 4.34Å; I194-Q196 HydrophobicContact CG1-CG 4.27Å |
| 197 | S | 97.3 | Very high | 97.4 | Very high | 68 Ų | 68 | 87.2 Ų | 87.2 | 48% | 0.476 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.2 | -179.4 | -65.8 | 0 | 0 | 0 | 0 | 109.2 | V161 N162 | V161-S197 WeakPolarHBondContact O-CA 3.38Å; N162-S197 VanDerWaalsContact OD1-CB 3.22Å; N162-S197 WeakPolarHBondContact OD1-CB 3.49Å; N162-S197 PolarHBondContact OD1-OG 3.02Å |
| 198 | Q | 98.3 | Very high | 97.4 | Very high | 69 Ų | 69 | 87.9 Ų | 87.9 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.8 | 171.8 | -173.3 | 65.7 | -69.7 | 0 | 0 | 109.5 | N160 V161 I175 A183 I184 V185 | N160-Q198 WeakPolarHBondContact CA-O 3.44Å; N160-Q198 PolarHBondContact ND2-O 2.92Å; V161-Q198 HydrophobicContact CG1-CB 4.07Å; V161-Q198 PolarHBondContact N-O 2.98Å; V161-Q198 PolarHBondContact O-N 2.82Å; I175-Q198 HydrophobicContact CD1-CB 4.43Å; I175-Q198 HydrophobicContact CD1-CG 4.13Å; A183-Q198 HydrophobicContact CB-CG 4.09Å; I184-Q198 PolarHBondContact O-NE2 3.2Å; V185-Q198 HydrophobicContact CG2-CB 3.7Å; V185-Q198 HydrophobicContact CG2-CG 4.38Å |
| 199 | S | 98.3 | Very high | 97.5 | Very high | 59 Ų | 59 | 81.6 Ų | 81.6 | 41% | 0.413 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.6 | 175.1 | 57.9 | 0 | 0 | 0 | 0 | 111.7 | F159 | F159-S199 CarbonylContact O-C 3.53Å; F159-S199 WeakPolarHBondContact O-CA 3.39Å; F159-S199 WeakPolarHBondContact O-CB 3.23Å |
| 200 | V | 98.6 | Very high | 97.6 | Very high | 29 Ų | 29 | 78 Ų | 78 | 18% | 0.176 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 143.7 | 177.8 | 63.7 | 0 | 0 | 0 | 0 | 109.6 | F159 I175 A183 L202 | F159-V200 HydrophobicContact CB-CG1 4.29Å; F159-V200 PolarHBondContact N-O 2.68Å; F159-V200 PolarHBondContact O-N 3.09Å; I175-V200 HydrophobicContact CD1-CG1 4.06Å; I175-V200 HydrophobicContact CG2-CG1 4.03Å; A183-V200 HydrophobicContact CB-CB 4.43Å; V200-L202 HydrophobicContact CG1-CD1 4.17Å; V200-L202 HydrophobicContact CG1-CD2 4.45Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 3.78Å; V200-L202 HydrophobicContact CG2-CG 4.15Å |
| 201 | M | 98.6 | Very high | 97.7 | Very high | 110 Ų | 110 | 76.8 Ų | 76.8 | 54% | 0.542 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 131.9 | 167.5 | -71 | 177.5 | 59.9 | 0 | 0 | 109.4 | V156 Y157 F158 I239 | V156-M201 HydrophobicContact CG1-CE 3.56Å; Y157-M201 CarbonylContact O-C 3.6Å; Y157-M201 WeakPolarHBondContact O-CA 3.32Å; F158-M201 HydrophobicContact CB-CG 4.44Å; F158-M201 HydrophobicContact CD2-CG 3.99Å; M201-I239 HydrophobicContact CE-CD1 3.52Å; M201-I239 HydrophobicContact CG-CD1 4.24Å; M201-I239 HydrophobicContact SD-CD1 4.03Å |
| 202 | L | 98.4 | Very high | 97.8 | Very high | 13 Ų | 13 | 71.2 Ų | 71.2 | 7% | 0.068 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 135.7 | -177.5 | -61.4 | 175.3 | 0 | 0 | 0 | 110.1 | Y157 F159 Q177 R182 V200 L204 V210 | Y157-L202 PolarHBondContact N-O 2.73Å; Y157-L202 PolarHBondContact O-N 3.11Å; F159-L202 HydrophobicContact CD2-CB 4.42Å; F159-L202 HydrophobicContact CD2-CD1 3.99Å; F159-L202 HydrophobicContact CD2-CG 4.32Å; F159-L202 HydrophobicContact CE2-CB 4.27Å; F159-L202 HydrophobicContact CE2-CD1 4.18Å; Q177-L202 HydrophobicContact CB-CD1 4.34Å; R182-L202 HydrophobicContact CB-CD2 4.04Å; R182-L202 HydrophobicContact CG-CD1 4.2Å; R182-L202 HydrophobicContact CG-CD2 3.8Å; V200-L202 HydrophobicContact CG1-CD1 4.17Å; V200-L202 HydrophobicContact CG1-CD2 4.45Å; V200-L202 HydrophobicContact CG1-CG 4.09Å; V200-L202 HydrophobicContact CG2-CD2 3.78Å; V200-L202 HydrophobicContact CG2-CG 4.15Å; L202-L204 HydrophobicContact CB-CD2 3.93Å; L202-L204 HydrophobicContact CB-CG 4.43Å; L202-V210 HydrophobicContact CD1-CG1 4.25Å; L202-V210 HydrophobicContact CD1-CG2 4.24Å |
| 203 | E | 97.9 | Very high | 97.9 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 125.3 | 165.1 | -170.3 | 179.9 | 173.4 | 0 | 0 | 108.8 | G155 Q177 | G155-E203 WeakPolarHBondContact O-CA 3.32Å; Q177-E203 PolarHBondContact NE2-O 2.86Å; Q177-E203 VanDerWaalsContact NE2-O 3.14Å |
| 204 | L | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 140.9 | -175 | -57.2 | -174.3 | 0 | 0 | 0 | 111.1 | F149 C151 A154 G155 Y157 F159 Q177 L202 D208 V210 | F149-L204 HydrophobicContact CD1-CD1 4.27Å; F149-L204 HydrophobicContact CE1-CD1 3.78Å; C151-L204 HydrophobicContact CB-CB 4.02Å; C151-L204 HydrophobicContact CB-CD1 4.06Å; C151-L204 VanDerWaalsContact SG-CB 3.56Å; A154-L204 WeakPolarHBondContact CA-O 3.27Å; G155-L204 PolarHBondContact N-O 2.99Å; G155-L204 PolarHBondContact O-N 2.94Å; Y157-L204 HydrophobicContact CD2-CB 4.04Å; Y157-L204 HydrophobicContact CD2-CD1 3.64Å; Y157-L204 HydrophobicContact CD2-CG 3.87Å; Y157-L204 HydrophobicContact CE2-CB 4.2Å; Y157-L204 HydrophobicContact CE2-CD1 4.12Å; Y157-L204 HydrophobicContact CE2-CG 4.46Å; Y157-L204 HydrophobicContact CG-CD1 3.89Å; Y157-L204 HydrophobicContact CG-CG 4.45Å; F159-L204 HydrophobicContact CE2-CD1 3.91Å; F159-L204 HydrophobicContact CZ-CD1 3.76Å; Q177-L204 HydrophobicContact CG-CD2 4.05Å; L202-L204 HydrophobicContact CB-CD2 3.93Å; L202-L204 HydrophobicContact CB-CG 4.43Å; L204-D208 HydrophobicContact CB-CB 4.27Å; L204-D208 HydrophobicContact CD2-CB 4.18Å; L204-V210 HydrophobicContact CD1-CG2 3.76Å; L204-V210 HydrophobicContact CD2-CG2 3.72Å; L204-V210 HydrophobicContact CG-CG2 4.43Å |
| 205 | R | 97.5 | Very high | 97.9 | Very high | 184 Ų | 184 | 60 Ų | 60 | 69% | 0.694 | 29% | 0.29 | S | S | * | . | trans | -95.3 | 160.5 | 167.9 | -66.3 | 176.5 | -176 | -109.7 | -4.7 | 110.3 | C151 R207 D208 | C151-R205 VanDerWaalsContact CB-O 3.3Å; C151-R205 WeakPolarHBondContact CB-O 3.44Å; C151-R205 PolarHBondContact SG-O 2.78Å; R205-R207 PolarHBondContact O-N 2.76Å; R205-D208 PolarHBondContact N-OD2 2.81Å; R205-D208 WeakPolarHBondContact O-CB 3.36Å; R205-D208 PolarHBondContact O-N 2.86Å | ||
| 206 | P | 96.4 | Very high | 97.7 | Very high | 77 Ų | 77 | 60 Ų | 60 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 134.6 | 173.4 | -24 | 35.7 | 0 | 0 | 0 | 110.2 | C151 A154 D208 | C151-P206 CarbonylContact O-C 3.58Å; C151-P206 WeakPolarHBondContact O-CA 3.47Å; A154-P206 HydrophobicContact CB-CG 4.13Å; P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3Å |
| 207 | R | 96.4 | Very high | 97.2 | Very high | 212 Ų | 212 | 63 Ų | 63 | 80% | 0.8 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 1.4 | -174.7 | -49.8 | -179.2 | 171.1 | -156.9 | -3.2 | 116.8 | L150 C151 R205 A209 | L150-R207 HydrophobicContact CD1-CB 4.43Å; L150-R207 WeakPolarHBondContact CD1-O 3.42Å; C151-R207 PolarHBondContact O-N 3.35Å; R205-R207 PolarHBondContact O-N 2.76Å; R207-A209 PolarHBondContact O-N 2.92Å |
| 208 | D | 98.4 | Very high | 96.8 | Very high | 24 Ų | 24 | 66.7 Ų | 66.7 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | trans | -61.1 | 137.6 | 166.2 | -81 | -16.1 | 0 | 0 | 0 | 109.9 | C151 Q177 N178 L204 R205 P206 | C151-D208 HydrophobicContact CB-CB 4.23Å; C151-D208 VanDerWaalsContact CB-O 3.3Å; C151-D208 WeakPolarHBondContact CB-O 3.38Å; C151-D208 PolarHBondContact N-O 3.47Å; Q177-D208 PolarHBondContact NE2-OD2 2.82Å; N178-D208 PolarHBondContact ND2-OD1 3.25Å; N178-D208 WeakPolarHBondContact OD1-CA 3.21Å; L204-D208 HydrophobicContact CB-CB 4.27Å; L204-D208 HydrophobicContact CD2-CB 4.18Å; R205-D208 PolarHBondContact N-OD2 2.81Å; R205-D208 WeakPolarHBondContact O-CB 3.36Å; R205-D208 PolarHBondContact O-N 2.86Å; P206-D208 VanDerWaalsContact C-N 3.3Å; P206-D208 PolarHBondContact O-N 3Å | ||
| 209 | A | 98.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 70.9 Ų | 70.9 | 13% | 0.132 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.9 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | F149 Q177 N178 R207 | F149-A209 CarbonylContact O-C 3.5Å; F149-A209 WeakPolarHBondContact O-CA 3.47Å; Q177-A209 CarbonylContact C-O 3.56Å; Q177-A209 WeakPolarHBondContact CA-O 3.48Å; N178-A209 PolarHBondContact N-O 3.46Å; N178-A209 PolarHBondContact OD1-N 2.9Å; R207-A209 PolarHBondContact O-N 2.92Å |
| 210 | V | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.8 | 171.4 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | F149 F159 I175 M176 L202 L204 F234 | F149-V210 HydrophobicContact CB-CB 4.44Å; F149-V210 WeakPolarHBondContact CB-O 3.47Å; F149-V210 HydrophobicContact CD1-CB 4.27Å; F149-V210 HydrophobicContact CD1-CG2 4.43Å; F149-V210 PolarHBondContact N-O 2.64Å; F149-V210 PolarHBondContact O-N 2.96Å; F159-V210 HydrophobicContact CD1-CB 4.45Å; F159-V210 HydrophobicContact CD1-CG1 3.85Å; F159-V210 HydrophobicContact CD2-CG1 4.11Å; F159-V210 HydrophobicContact CE1-CB 3.83Å; F159-V210 HydrophobicContact CE1-CG1 3.73Å; F159-V210 HydrophobicContact CE1-CG2 4.27Å; F159-V210 HydrophobicContact CE2-CB 4.24Å; F159-V210 HydrophobicContact CE2-CG1 4.02Å; F159-V210 HydrophobicContact CE2-CG2 3.87Å; F159-V210 HydrophobicContact CG-CG1 4.03Å; F159-V210 HydrophobicContact CZ-CB 3.74Å; F159-V210 HydrophobicContact CZ-CG1 3.85Å; F159-V210 HydrophobicContact CZ-CG2 3.65Å; I175-V210 HydrophobicContact CG2-CG1 4.22Å; M176-V210 VanDerWaalsContact O-CA 3.29Å; M176-V210 WeakPolarHBondContact O-CA 3.41Å; M176-V210 WeakPolarHBondContact O-CG1 3.37Å; L202-V210 HydrophobicContact CD1-CG1 4.25Å; L202-V210 HydrophobicContact CD1-CG2 4.24Å; L204-V210 HydrophobicContact CD1-CG2 3.76Å; L204-V210 HydrophobicContact CD2-CG2 3.72Å; L204-V210 HydrophobicContact CG-CG2 4.43Å; V210-F234 HydrophobicContact CG1-CZ 4.19Å |
| 211 | W | 98.8 | Very high | 96.1 | Very high | 26 Ų | 26 | 71.4 Ų | 71.4 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 165.2 | -172.3 | 60.5 | -75.1 | 0 | 0 | 0 | 112.1 | A128 G147 K148 M176 N178 R213 | A128-W211 HydrophobicContact CB-CE3 3.65Å; A128-W211 HydrophobicContact CB-CZ3 3.66Å; G147-W211 WeakPolarHBondContact O-CB 3.49Å; K148-W211 HydrophobicContact CB-CB 4.2Å; K148-W211 HydrophobicContact CD-CG 4.37Å; K148-W211 HydrophobicContact CG-CB 3.77Å; K148-W211 HydrophobicContact CG-CG 4.04Å; M176-W211 HydrophobicContact CB-CD2 3.92Å; M176-W211 HydrophobicContact CB-CG 4.01Å; M176-W211 HydrophobicContact CB-CZ2 4.12Å; M176-W211 WeakPolarHBondContact CB-O 3.38Å; M176-W211 HydrophobicContact CE-CZ2 4.47Å; M176-W211 HydrophobicContact CG-CD2 3.96Å; M176-W211 HydrophobicContact CG-CE3 4.31Å; M176-W211 HydrophobicContact CG-CH2 4.21Å; M176-W211 HydrophobicContact CG-CZ2 3.82Å; M176-W211 HydrophobicContact CG-CZ3 4.44Å; M176-W211 PolarHBondContact N-O 2.95Å; M176-W211 PolarHBondContact O-N 2.94Å; M176-W211 VanDerWaalsContact O-N 3.16Å; N178-W211 PolarHBondContact O-NE1 3.48Å; W211-R213 HydrophobicContact CE3-CB 3.97Å; W211-R213 HydrophobicContact CH2-CB 3.77Å; W211-R213 VanDerWaalsContact CH2-CD 3.42Å; W211-R213 HydrophobicContact CH2-CG 3.62Å; W211-R213 HydrophobicContact CZ3-CB 3.39Å; W211-R213 HydrophobicContact CZ3-CG 3.53Å |
| 212 | V | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 128 | 178.8 | -177.5 | 0 | 0 | 0 | 0 | 109.3 | V129 V161 L173 H174 F234 | V129-V212 HydrophobicContact CB-CB 4.19Å; V129-V212 HydrophobicContact CB-CG1 4.27Å; V129-V212 HydrophobicContact CG2-CB 4.31Å; V129-V212 HydrophobicContact CG2-CG1 3.88Å; V129-V212 PolarHBondContact N-O 2.88Å; V161-V212 HydrophobicContact CG2-CG2 4.13Å; L173-V212 HydrophobicContact CB-CG1 4.07Å; L173-V212 HydrophobicContact CD2-CG1 3.73Å; L173-V212 HydrophobicContact CG-CG1 4.48Å; H174-V212 CarbonylContact O-C 3.27Å; H174-V212 WeakPolarHBondContact O-CA 3.44Å; V212-F234 HydrophobicContact CG2-CD1 4.15Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE1 4.2Å; V212-F234 HydrophobicContact CG2-CE2 3.99Å; V212-F234 HydrophobicContact CG2-CG 4.04Å; V212-F234 HydrophobicContact CG2-CZ 4.14Å |
| 213 | R | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 9% | 0.091 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.6 | -179.8 | -169.7 | 176.1 | 81.5 | -172.8 | 4.1 | 110.2 | Y126 Q127 L173 H174 M176 E181 W211 | Y126-R213 HydrophobicContact CD1-CG 4.23Å; Q127-R213 WeakPolarHBondContact O-CA 3.4Å; L173-R213 CarbonylContact C-O 3.58Å; L173-R213 VanDerWaalsContact CA-O 3.26Å; L173-R213 WeakPolarHBondContact CA-O 3.27Å; H174-R213 HydrophobicContact CB-CB 4.4Å; H174-R213 PolarHBondContact CE1-NH2 2.86Å; H174-R213 VanDerWaalsContact CE1-NH2 3.28Å; H174-R213 PolarHBondContact N-O 3.03Å; H174-R213 PolarHBondContact ND1-NH2 2.89Å; H174-R213 PolarHBondContact O-N 3.32Å; M176-R213 HydrophobicContact CG-CB 3.65Å; M176-R213 HydrophobicContact SD-CB 4.07Å; E181-R213 IonicContact OE1-CZ 3.82Å; E181-R213 VanDerWaalsContact OE1-CZ 3.29Å; E181-R213 IonicContact OE1-NH1 3.42Å; E181-R213 PolarHBondContact OE1-NH1 2.83Å; E181-R213 VanDerWaalsContact OE1-NH1 3.13Å; E181-R213 IonicContact OE1-NH2 4Å; E181-R213 PolarHBondContact OE1-NH2 2.64Å; W211-R213 HydrophobicContact CE3-CB 3.97Å; W211-R213 HydrophobicContact CH2-CB 3.77Å; W211-R213 VanDerWaalsContact CH2-CD 3.42Å; W211-R213 HydrophobicContact CH2-CG 3.62Å; W211-R213 HydrophobicContact CZ3-CB 3.39Å; W211-R213 HydrophobicContact CZ3-CG 3.53Å |
| 214 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.6 | 171.2 | -169.1 | 66.7 | 0 | 0 | 0 | 109.4 | L120 Q127 V129 L173 N221 I223 | L120-L214 HydrophobicContact CD2-CD2 4.06Å; L120-L214 HydrophobicContact CG-CD2 3.97Å; Q127-L214 HydrophobicContact CG-CB 3.84Å; Q127-L214 HydrophobicContact CG-CD2 4.27Å; Q127-L214 PolarHBondContact O-N 2.84Å; V129-L214 HydrophobicContact CG2-CB 4.19Å; L173-L214 HydrophobicContact CD2-CB 4.3Å; L173-L214 HydrophobicContact CD2-CD1 3.54Å; L173-L214 HydrophobicContact CG-CD1 3.89Å; L214-N221 VanDerWaalsContact CD1-ND2 3.33Å; L214-N221 WeakPolarHBondContact CD1-ND2 3.4Å; L214-I223 HydrophobicContact CD1-CG2 4.32Å |
| 215 | F | 96.7 | Very high | 95.9 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 134.8 | 179.5 | -163.4 | -86.5 | 0 | 0 | 0 | 110.9 | S122 Y126 Y172 H174 R217 N221 | S122-F215 WeakPolarHBondContact CB-O 3.41Å; Y126-F215 AromaticContact CE1-CD2 3.64Å; Y126-F215 HydrophobicContact CE1-CD2 3.64Å; Y126-F215 AromaticContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CE2 3.83Å; Y126-F215 HydrophobicContact CE1-CG 4.06Å; Y126-F215 HydrophobicContact CE1-CZ 4.4Å; Y126-F215 WeakPolarHBondContact OH-CE2 3.36Å; Y172-F215 HydrophobicContact CD1-CB 3.94Å; Y172-F215 HydrophobicContact CD1-CD1 4.03Å; Y172-F215 HydrophobicContact CD1-CD2 4.07Å; Y172-F215 AromaticContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD1-CG 3.75Å; Y172-F215 HydrophobicContact CD2-CB 4.32Å; Y172-F215 HydrophobicContact CE1-CD1 4.31Å; Y172-F215 AromaticContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CD2 3.83Å; Y172-F215 HydrophobicContact CE1-CE2 4.07Å; Y172-F215 AromaticContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CG 3.98Å; Y172-F215 HydrophobicContact CE1-CZ 4.42Å; Y172-F215 HydrophobicContact CE2-CD2 4.42Å; Y172-F215 HydrophobicContact CG-CB 3.8Å; Y172-F215 HydrophobicContact CG-CD2 4.46Å; Y172-F215 HydrophobicContact CG-CG 4.11Å; Y172-F215 VanDerWaalsContact O-CB 3.32Å; Y172-F215 WeakPolarHBondContact O-CB 3.33Å; Y172-F215 PolarHBondContact O-N 2.85Å; H174-F215 AromaticContact CE1-CD2 3.77Å; H174-F215 AromaticContact NE2-CD2 3.85Å; F215-R217 PolarHBondContact O-N 3.07Å; F215-N221 PolarHBondContact N-ND2 3.19Å; F215-N221 PolarHBondContact O-ND2 3.03Å |
| 216 | K | 94 | Very high | 95.7 | Very high | 93 Ų | 93 | 54.8 Ų | 54.8 | 40% | 0.404 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 126.5 | -179.6 | 65.2 | -179.7 | -178.9 | 170.4 | 0 | 111.7 | D123 D124 A125 Y126 | D123-K216 WeakPolarHBondContact O-CA 3.26Å; D124-K216 WeakPolarHBondContact O-CD 3.25Å; A125-K216 VanDerWaalsContact C-CB 3.46Å; Y126-K216 HydrophobicContact CD1-CB 4.37Å; Y126-K216 HydrophobicContact CD1-CG 4.32Å; Y126-K216 HydrophobicContact CD2-CD 3.97Å; Y126-K216 HydrophobicContact CD2-CG 4.42Å; Y126-K216 HydrophobicContact CE1-CD 4.5Å; Y126-K216 HydrophobicContact CE1-CG 4.01Å; Y126-K216 HydrophobicContact CE2-CD 3.71Å; Y126-K216 HydrophobicContact CE2-CG 4.13Å; Y126-K216 HydrophobicContact CG-CD 4.47Å |
| 217 | R | 86.1 | Confident | 95.3 | Very high | 120 Ų | 120 | 57.7 Ų | 57.7 | 45% | 0.453 | 25% | 0.252 | S | S | . | . | trans | -171.4 | 71.4 | -177.9 | -148.6 | 167.2 | -177.9 | 155.5 | -3.9 | 111.3 | S122 D123 E170 F215 R219 E220 N221 | S122-R217 PolarHBondContact OG-O 2.84Å; D123-R217 PolarHBondContact O-N 3.11Å; D123-R217 VanDerWaalsContact O-N 3.07Å; E170-R217 IonicContact OE1-CZ 3.65Å; E170-R217 IonicContact OE1-NH1 2.85Å; E170-R217 PolarHBondContact OE1-NH1 2.98Å; E170-R217 WeakPolarHBondContact OE2-CD 3.34Å; E170-R217 IonicContact OE2-CZ 3.33Å; E170-R217 IonicContact OE2-NE 3.56Å; E170-R217 IonicContact OE2-NH1 2.64Å; E170-R217 PolarHBondContact OE2-NH1 2.85Å; F215-R217 PolarHBondContact O-N 3.07Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 CarbonylContact O-C 3.52Å; R217-R219 PolarHBondContact O-N 2.96Å; R217-E220 HydrophobicContact CG-CB 4.15Å; R217-E220 PolarHBondContact O-N 2.8Å; R217-N221 HydrophobicContact CB-CB 3.92Å | ||
| 218 | E | 88.4 | Confident | 95.1 | Very high | 146 Ų | 146 | 52.6 Ų | 52.6 | 68% | 0.682 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 12.3 | 65.6 | 171.4 | -159.5 | 175.8 | -171.9 | 0 | 0 | 116.2 | D124 E220 | D124-E218 WeakPolarHBondContact OD1-CA 3.32Å; D124-E218 WeakPolarHBondContact OD1-CB 3.34Å; D124-E218 WeakPolarHBondContact OD1-CG 3.14Å; E218-E220 PolarHBondContact O-N 2.92Å |
| 219 | R | 89.9 | Confident | 94.8 | Very high | 156 Ų | 156 | 55.4 Ų | 55.4 | 59% | 0.589 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.9 | 9.4 | -176.3 | -45.7 | -170.8 | 76.8 | -170.8 | 2.9 | 118.2 | H121 S122 K169 R217 | H121-R219 PolarHBondContact ND1-O 2.95Å; S122-R219 VanDerWaalsContact O-CA 3.32Å; S122-R219 WeakPolarHBondContact O-CA 3.41Å; S122-R219 PolarHBondContact O-N 2.78Å; K169-R219 WeakPolarHBondContact CD-O 3.2Å; K169-R219 WeakPolarHBondContact CE-O 3.34Å; K169-R219 PolarHBondContact NZ-O 2.77Å; R217-R219 VanDerWaalsContact C-N 3.33Å; R217-R219 CarbonylContact O-C 3.52Å; R217-R219 PolarHBondContact O-N 2.96Å |
| 220 | E | 93.3 | Very high | 94.6 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17.5 | 174.8 | -67.2 | -50.3 | 132.5 | 0 | 0 | 114.1 | K169 E170 R217 E218 | K169-E220 IonicContact NZ-OE1 2.82Å; K169-E220 PolarHBondContact NZ-OE1 2.97Å; K169-E220 IonicContact NZ-OE2 3.56Å; K169-E220 PolarHBondContact NZ-OE2 2.87Å; E170-E220 PolarHBondContact N-O 2.66Å; R217-E220 HydrophobicContact CG-CB 4.15Å; R217-E220 PolarHBondContact O-N 2.8Å; E218-E220 PolarHBondContact O-N 2.92Å |
| 221 | N | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -103 | 133.1 | 169.8 | 177.1 | 24.6 | 0 | 0 | 0 | 109.9 | S122 E170 T171 Y172 L214 F215 R217 | S122-N221 WeakPolarHBondContact CB-O 3.35Å; S122-N221 PolarHBondContact N-O 3.02Å; S122-N221 WeakPolarHBondContact OG-CA 3.3Å; S122-N221 WeakPolarHBondContact OG-CB 3.41Å; S122-N221 PolarHBondContact OG-N 2.82Å; S122-N221 VanDerWaalsContact OG-N 3.11Å; S122-N221 PolarHBondContact OG-O 2.8Å; E170-N221 CarbonylContact O-C 3.54Å; E170-N221 VanDerWaalsContact O-CA 3.27Å; E170-N221 WeakPolarHBondContact O-CA 3.32Å; E170-N221 PolarHBondContact O-OD1 3.05Å; T171-N221 WeakPolarHBondContact CA-OD1 3.36Å; Y172-N221 PolarHBondContact N-OD1 2.64Å; Y172-N221 PolarHBondContact O-ND2 2.91Å; L214-N221 VanDerWaalsContact CD1-ND2 3.33Å; L214-N221 WeakPolarHBondContact CD1-ND2 3.4Å; F215-N221 PolarHBondContact N-ND2 3.19Å; F215-N221 PolarHBondContact O-ND2 3.03Å; R217-N221 HydrophobicContact CB-CB 3.92Å |
| 222 | A | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L120 W166 K169 E170 T171 | L120-A222 VanDerWaalsContact O-CA 3.27Å; L120-A222 WeakPolarHBondContact O-CA 3.5Å; W166-A222 HydrophobicContact CB-CB 3.95Å; W166-A222 HydrophobicContact CG-CB 4.19Å; K169-A222 HydrophobicContact CB-CB 3.97Å; K169-A222 HydrophobicContact CG-CB 4.18Å; E170-A222 PolarHBondContact O-N 2.85Å; T171-A222 PolarHBondContact OG1-O 3.32Å |
| 223 | I | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.8 | 169.9 | 59.6 | -176.8 | 0 | 0 | 0 | 109.4 | S119 L120 V129 I163 T171 L173 L214 I232 | S119-I223 WeakPolarHBondContact CA-O 3.45Å; S119-I223 WeakPolarHBondContact CB-O 3.41Å; L120-I223 HydrophobicContact CB-CD1 4.03Å; L120-I223 HydrophobicContact CB-CG1 3.74Å; L120-I223 HydrophobicContact CD2-CD1 4.4Å; L120-I223 PolarHBondContact N-O 2.82Å; L120-I223 PolarHBondContact O-N 2.85Å; V129-I223 HydrophobicContact CG1-CD1 4.09Å; V129-I223 HydrophobicContact CG2-CD1 4.44Å; I163-I223 HydrophobicContact CG2-CB 3.88Å; I163-I223 HydrophobicContact CG2-CG2 3.43Å; I163-I223 VanDerWaalsContact CG2-CG2 3.43Å; T171-I223 HydrophobicContact CG2-CG2 4.02Å; L173-I223 HydrophobicContact CD1-CG2 3.88Å; L173-I223 HydrophobicContact CD2-CG2 4.16Å; L173-I223 HydrophobicContact CG-CG2 4.38Å; L214-I223 HydrophobicContact CD1-CG2 4.32Å; I223-I232 HydrophobicContact CB-CD1 4.03Å; I223-I232 HydrophobicContact CD1-CD1 3.75Å; I223-I232 HydrophobicContact CG1-CD1 3.79Å |
| 224 | Y | 97.5 | Very high | 94.6 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 28% | 0.282 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.9 | -177.4 | 179.4 | -87.8 | 0 | 0 | 0 | 111.7 | H164 W166 D226 Y231 I232 | H164-Y224 AromaticContact CE1-CD1 3.76Å; H164-Y224 AromaticContact ND1-CD1 3.45Å; H164-Y224 WeakPolarHBondContact ND1-CD1 3.42Å; H164-Y224 PolarHBondContact O-N 3.33Å; W166-Y224 HydrophobicContact CD2-CD2 4.06Å; W166-Y224 AromaticContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CD2 3.51Å; W166-Y224 HydrophobicContact CE3-CG 4.11Å; W166-Y224 HydrophobicContact CH2-CD2 4.18Å; W166-Y224 AromaticContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CD2 3.56Å; W166-Y224 HydrophobicContact CZ3-CE2 4.25Å; W166-Y224 HydrophobicContact CZ3-CG 4.47Å; Y224-D226 PolarHBondContact OH-OD2 2.78Å; Y224-D226 VanDerWaalsContact OH-OD2 3.07Å; Y224-Y231 HydrophobicContact CD1-CD2 4.38Å; Y224-Y231 HydrophobicContact CE1-CD2 4.21Å; Y224-Y231 AromaticContact CE1-CE2 3.99Å; Y224-Y231 HydrophobicContact CE1-CE2 3.99Å; Y224-I232 WeakPolarHBondContact O-CD1 3.41Å |
| 225 | S | 96.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | trans | -163.5 | 159.1 | 164.3 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | R116 R117 S119 | R116-S225 PolarHBondContact O-OG 2.91Å; R117-S225 WeakPolarHBondContact CA-OG 3.48Å; R117-S225 CarbonylContact O-C 3.59Å; R117-S225 VanDerWaalsContact O-C 3.29Å; R117-S225 WeakPolarHBondContact O-CB 3.34Å; R117-S225 PolarHBondContact O-OG 3.25Å; S119-S225 PolarHBondContact N-O 3.11Å; S119-S225 PolarHBondContact OG-N 2.88Å; S119-S225 PolarHBondContact OG-O 2.85Å | ||
| 226 | D | 92.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 57.8 Ų | 57.8 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -127.4 | -178.8 | 174.7 | 58.4 | 46.2 | 0 | 0 | 0 | 112.7 | R117 Y224 V228 D229 Y231 | R117-D226 CarbonylContact C-O 3.53Å; R117-D226 CarbonylContact O-C 3.55Å; R117-D226 VanDerWaalsContact O-C 3.27Å; R117-D226 PolarHBondContact O-N 3.15Å; Y224-D226 PolarHBondContact OH-OD2 2.78Å; Y224-D226 VanDerWaalsContact OH-OD2 3.07Å; D226-V228 VanDerWaalsContact C-N 3.3Å; D226-V228 PolarHBondContact OD1-N 3.46Å; D226-D229 PolarHBondContact OD1-N 3.38Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.45Å | ||
| 227 | D | 89.3 | Confident | 94.9 | Very high | 139 Ų | 139 | 58.5 Ų | 58.5 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -82.3 | -6.6 | -179 | 59.4 | -20 | 0 | 0 | 0 | 113.8 | ||
| 228 | V | 90.7 | Very high | 95.4 | Very high | 105 Ų | 105 | 54 Ų | 54 | 64% | 0.636 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -93.8 | -60.2 | -178.1 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | D226 | D226-V228 VanDerWaalsContact C-N 3.3Å; D226-V228 PolarHBondContact OD1-N 3.46Å |
| 229 | D | 93.1 | Very high | 95.8 | Very high | 82 Ų | 82 | 51 Ų | 51 | 44% | 0.439 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -106.6 | 156.6 | -172.9 | -71.2 | -47.9 | 0 | 0 | 0 | 111.9 | D226 Y231 | D226-D229 PolarHBondContact OD1-N 3.38Å; D229-Y231 HydrophobicContact CB-CD2 4.17Å; D229-Y231 HydrophobicContact CB-CE1 4.08Å; D229-Y231 HydrophobicContact CB-CE2 3.44Å; D229-Y231 VanDerWaalsContact CB-CE2 3.44Å; D229-Y231 WeakPolarHBondContact CB-OH 3.42Å; D229-Y231 PolarHBondContact OD2-OH 2.81Å; D229-Y231 VanDerWaalsContact OD2-OH 3.11Å |
| 230 | V | 95.1 | Very high | 96.1 | Very high | 48 Ų | 48 | 49.7 Ų | 49.7 | 29% | 0.291 | 25% | 0.246 | S | C | . | . | trans | -107.3 | 102.3 | 179.8 | 180 | 0 | 0 | 0 | 0 | 109.8 | A115 R117 F135 T233 | A115-V230 HydrophobicContact CB-CG1 3.42Å; A115-V230 VanDerWaalsContact CB-CG1 3.42Å; R117-V230 HydrophobicContact CG-CG2 4.42Å; F135-V230 HydrophobicContact CE2-CG1 4.2Å; F135-V230 HydrophobicContact CZ-CG1 4.09Å; F135-V230 HydrophobicContact CZ-CG2 4.35Å; V230-T233 HydrophobicContact CG1-CG2 3.99Å | ||
| 231 | Y | 96.7 | Very high | 96.2 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | trans | -100.7 | -26.6 | -177.3 | -61.7 | -70.6 | 0 | 0 | 0 | 113.9 | H164 M195 Y224 D226 D229 | H164-Y231 HydrophobicContact CB-CD1 4.33Å; H164-Y231 HydrophobicContact CB-CG 4.09Å; H164-Y231 AromaticContact ND1-CD1 3.4Å; H164-Y231 WeakPolarHBondContact ND1-CD1 3.4Å; H164-Y231 AromaticContact ND1-CE1 3.72Å; H164-Y231 AromaticContact ND1-CG 3.53Å; M195-Y231 HydrophobicContact CE-CD1 3.84Å; Y224-Y231 HydrophobicContact CD1-CD2 4.38Å; Y224-Y231 HydrophobicContact CE1-CD2 4.21Å; Y224-Y231 AromaticContact CE1-CE2 3.99Å; Y224-Y231 HydrophobicContact CE1-CE2 3.99Å; D226-Y231 WeakPolarHBondContact OD2-CE2 3.45Å; D229-Y231 HydrophobicContact CB-CD2 4.17Å; D229-Y231 HydrophobicContact CB-CE1 4.08Å; D229-Y231 HydrophobicContact CB-CE2 3.44Å; D229-Y231 VanDerWaalsContact CB-CE2 3.44Å; D229-Y231 WeakPolarHBondContact CB-OH 3.42Å; D229-Y231 PolarHBondContact OD2-OH 2.81Å; D229-Y231 VanDerWaalsContact OD2-OH 3.11Å | ||
| 232 | I | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.1 | -176.8 | -62.4 | 164 | 0 | 0 | 0 | 109 | A115 R116 F131 N162 I163 I223 Y224 | A115-I232 VanDerWaalsContact CA-O 3.23Å; A115-I232 WeakPolarHBondContact CA-O 3.4Å; A115-I232 WeakPolarHBondContact CB-O 3.17Å; R116-I232 HydrophobicContact CB-CB 4.09Å; R116-I232 HydrophobicContact CB-CG2 3.83Å; R116-I232 PolarHBondContact N-O 2.8Å; R116-I232 VanDerWaalsContact N-O 3.09Å; F131-I232 HydrophobicContact CE1-CG2 4.11Å; N162-I232 WeakPolarHBondContact O-CA 3.39Å; I163-I232 HydrophobicContact CD1-CB 4.47Å; I163-I232 HydrophobicContact CD1-CG1 4.28Å; I163-I232 HydrophobicContact CD1-CG2 3.74Å; I223-I232 HydrophobicContact CB-CD1 4.03Å; I223-I232 HydrophobicContact CD1-CD1 3.75Å; I223-I232 HydrophobicContact CG1-CD1 3.79Å; Y224-I232 WeakPolarHBondContact O-CD1 3.41Å |
| 233 | T | 98.6 | Very high | 94.7 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 145 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 111 | V114 A115 F135 V161 N162 V230 | V114-T233 CarbonylContact O-C 3.58Å; V114-T233 WeakPolarHBondContact O-CA 3.3Å; A115-T233 HydrophobicContact CB-CG2 4.3Å; F135-T233 HydrophobicContact CE2-CG2 4.33Å; V161-T233 WeakPolarHBondContact CA-O 3.22Å; N162-T233 WeakPolarHBondContact CB-OG1 3.33Å; N162-T233 PolarHBondContact N-O 3.17Å; N162-T233 PolarHBondContact ND2-OG1 3.11Å; N162-T233 PolarHBondContact O-N 2.87Å; V230-T233 HydrophobicContact CG1-CG2 3.99Å |
| 234 | F | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 123.5 | 171 | -176.6 | -137.4 | 0 | 0 | 0 | 109.3 | F112 V114 F131 F142 F159 N160 V161 V210 V212 | F112-F234 AromaticContact CE2-CD1 3.59Å; F112-F234 HydrophobicContact CE2-CD1 3.59Å; F112-F234 AromaticContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CE1 3.77Å; F112-F234 HydrophobicContact CE2-CG 4.04Å; F112-F234 HydrophobicContact CE2-CZ 4.35Å; F112-F234 AromaticContact CZ-CD1 4Å; F112-F234 HydrophobicContact CZ-CD1 4Å; F112-F234 AromaticContact CZ-CE1 3.67Å; F112-F234 HydrophobicContact CZ-CE1 3.67Å; F112-F234 AromaticContact CZ-CZ 3.94Å; F112-F234 HydrophobicContact CZ-CZ 3.94Å; V114-F234 HydrophobicContact CG2-CB 4.11Å; V114-F234 WeakPolarHBondContact CG2-O 3.38Å; V114-F234 PolarHBondContact N-O 2.84Å; V114-F234 PolarHBondContact O-N 2.98Å; F131-F234 HydrophobicContact CD1-CB 4.44Å; F131-F234 HydrophobicContact CE1-CB 3.53Å; F131-F234 HydrophobicContact CE2-CB 4.07Å; F131-F234 AromaticContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CD1 3.96Å; F131-F234 HydrophobicContact CE2-CG 4.41Å; F131-F234 HydrophobicContact CZ-CB 3.31Å; F131-F234 AromaticContact CZ-CD1 3.98Å; F131-F234 HydrophobicContact CZ-CD1 3.98Å; F131-F234 AromaticContact CZ-CG 3.97Å; F131-F234 HydrophobicContact CZ-CG 3.97Å; F142-F234 AromaticContact CE2-CD1 3.68Å; F142-F234 HydrophobicContact CE2-CD1 3.68Å; F142-F234 AromaticContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CE2-CE1 3.81Å; F142-F234 HydrophobicContact CZ-CD1 4.23Å; F159-F234 HydrophobicContact CB-CE2 4.25Å; F159-F234 HydrophobicContact CD1-CE2 4.09Å; F159-F234 AromaticContact CD1-CZ 3.87Å; F159-F234 HydrophobicContact CD1-CZ 3.87Å; N160-F234 WeakPolarHBondContact O-CA 3.23Å; N160-F234 WeakPolarHBondContact O-CD2 3.21Å; V161-F234 HydrophobicContact CB-CD2 4.06Å; V161-F234 HydrophobicContact CG2-CD2 4.41Å; V210-F234 HydrophobicContact CG1-CZ 4.19Å; V212-F234 HydrophobicContact CG2-CD1 4.15Å; V212-F234 HydrophobicContact CG2-CD2 3.92Å; V212-F234 HydrophobicContact CG2-CE1 4.2Å; V212-F234 HydrophobicContact CG2-CE2 3.99Å; V212-F234 HydrophobicContact CG2-CG 4.04Å; V212-F234 HydrophobicContact CG2-CZ 4.14Å |
| 235 | N | 98.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 70.1 Ų | 70.1 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.6 | -170.3 | -53.9 | -56.5 | 0 | 0 | 0 | 109.1 | F112 S113 F159 N160 | F112-N235 WeakPolarHBondContact O-CA 3.18Å; S113-N235 WeakPolarHBondContact CA-OD1 3.39Å; S113-N235 VanDerWaalsContact CB-OD1 3.26Å; S113-N235 WeakPolarHBondContact CB-OD1 3.34Å; S113-N235 PolarHBondContact OG-OD1 3.22Å; F159-N235 CarbonylContact C-O 3.6Å; F159-N235 VanDerWaalsContact CA-O 3.32Å; F159-N235 WeakPolarHBondContact CA-O 3.4Å; N160-N235 PolarHBondContact N-O 3.32Å; N160-N235 PolarHBondContact O-N 2.93Å; N160-N235 PolarHBondContact OD1-ND2 3.44Å |
| 236 | G | 98.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 73.5 Ų | 73.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 143.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | A111 F112 F158 | A111-G236 CarbonylContact C-O 3.56Å; A111-G236 VanDerWaalsContact CA-O 3.32Å; A111-G236 WeakPolarHBondContact CA-O 3.19Å; F112-G236 PolarHBondContact N-O 3.42Å; F112-G236 PolarHBondContact O-N 3.38Å; F158-G236 WeakPolarHBondContact O-CA 3.47Å |
| 237 | Y | 98 | Very high | 92.4 | Very high | 108 Ų | 108 | 75.7 Ų | 75.7 | 42% | 0.424 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 150.1 | 176.2 | 62.4 | -88.3 | 0 | 0 | 0 | 112.6 | S110 Y157 F158 I239 | S110-Y237 CarbonylContact O-C 3.58Å; S110-Y237 WeakPolarHBondContact O-CA 3.4Å; Y157-Y237 VanDerWaalsContact CA-O 3.31Å; Y157-Y237 WeakPolarHBondContact CA-O 3.43Å; F158-Y237 HydrophobicContact CB-CD1 4.45Å; F158-Y237 HydrophobicContact CB-CE1 3.92Å; F158-Y237 HydrophobicContact CB-CE2 4.21Å; F158-Y237 HydrophobicContact CD1-CD1 4.19Å; F158-Y237 AromaticContact CD1-CE1 3.39Å; F158-Y237 HydrophobicContact CD1-CE1 3.39Å; F158-Y237 AromaticContact CD1-CZ 3.86Å; F158-Y237 HydrophobicContact CE1-CE1 4.19Å; F158-Y237 AromaticContact CG-CE1 3.97Å; F158-Y237 HydrophobicContact CG-CE1 3.97Å; F158-Y237 PolarHBondContact N-O 3.46Å; F158-Y237 PolarHBondContact O-N 2.8Å; Y237-I239 HydrophobicContact CD2-CG1 4.12Å; Y237-I239 HydrophobicContact CE2-CD1 4.46Å; Y237-I239 HydrophobicContact CE2-CG1 3.67Å; Y237-I239 PolarHBondContact O-N 3.41Å |
| 238 | L | 97.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 72 Ų | 72 | 14% | 0.136 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.6 | 173.7 | 178.3 | 61.5 | 0 | 0 | 0 | 109.6 | P108 S110 V153 Y157 K240 A241 | P108-L238 HydrophobicContact CB-CD2 4.5Å; P108-L238 HydrophobicContact CG-CD2 4.48Å; P108-L238 WeakPolarHBondContact O-CD2 3.48Å; S110-L238 PolarHBondContact O-N 3.25Å; V153-L238 HydrophobicContact CB-CD2 4.22Å; V153-L238 HydrophobicContact CG1-CD2 3.8Å; Y157-L238 HydrophobicContact CD1-CB 4.13Å; Y157-L238 HydrophobicContact CD2-CD1 4.09Å; Y157-L238 HydrophobicContact CE1-CB 3.65Å; Y157-L238 HydrophobicContact CE1-CD1 4.2Å; Y157-L238 HydrophobicContact CE1-CG 4.49Å; Y157-L238 HydrophobicContact CE2-CD1 3.62Å; L238-K240 WeakPolarHBondContact CD1-O 3.45Å; L238-A241 HydrophobicContact CD2-CB 4.39Å |
| 239 | I | 97.1 | Very high | 92.7 | Very high | 82 Ų | 82 | 69.9 Ų | 69.9 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -48 | 173.2 | -66.6 | 169.3 | 0 | 0 | 0 | 110.2 | V156 F158 M201 Y237 | V156-I239 WeakPolarHBondContact O-CB 3.3Å; V156-I239 PolarHBondContact O-N 3.22Å; F158-I239 HydrophobicContact CB-CD1 3.58Å; F158-I239 HydrophobicContact CB-CG1 4.15Å; M201-I239 HydrophobicContact CE-CD1 3.52Å; M201-I239 HydrophobicContact CG-CD1 4.24Å; M201-I239 HydrophobicContact SD-CD1 4.03Å; Y237-I239 HydrophobicContact CD2-CG1 4.12Å; Y237-I239 HydrophobicContact CE2-CD1 4.46Å; Y237-I239 HydrophobicContact CE2-CG1 3.67Å; Y237-I239 PolarHBondContact O-N 3.41Å |
| 240 | K | 95.4 | Very high | 92.6 | Very high | 130 Ų | 130 | 69.1 Ų | 69.1 | 57% | 0.565 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 123.3 | -176.2 | -173.6 | -173.1 | 174.1 | -172.8 | 0 | 109.6 | G155 V156 L238 | G155-K240 CarbonylContact C-O 3.54Å; G155-K240 VanDerWaalsContact CA-O 3.25Å; G155-K240 WeakPolarHBondContact CA-O 3.41Å; V156-K240 PolarHBondContact N-O 2.95Å; V156-K240 PolarHBondContact O-N 2.88Å; L238-K240 WeakPolarHBondContact CD1-O 3.45Å |
| 241 | A | 94.9 | Very high | 92.5 | Very high | 33 Ų | 33 | 70.6 Ų | 70.6 | 27% | 0.273 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | P108 V153 L238 | P108-A241 HydrophobicContact CG-CB 3.52Å; V153-A241 HydrophobicContact CG1-CB 4.35Å; L238-A241 HydrophobicContact CD2-CB 4.39Å |
| 242 | G | 87.7 | Confident | 92.1 | Very high | 41 Ų | 41 | 71.7 Ų | 71.7 | 42% | 0.423 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 148.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A154 | A154-G242 PolarHBondContact O-N 3.21Š|
| 243 | E | 77.1 | Confident | 91.6 | Very high | 180 Ų | 180 | 77.7 Ų | 77.7 | 84% | 0.841 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 126.1 | 165.3 | -68.8 | 171.7 | -168.8 | 0 | 0 | 107 | ||
| 244 | E | 57.6 | Low | 91 | Very high | 275 Ų | 275 | 82.7 Ų | 82.7 | 100% | 1.285 | 41% | 0.414 | S | S | * | . | trans | -65.4 | 0 | 171 | -91.2 | -173 | 154.4 | 0 | 0 | 111.8 |
Retrieved 244 of 244 residues in 215.1 ms
(Link to these results)