| 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 | 36.1 | Very low | 35 | Very low | 235 Ų | 235 | 152.5 Ų | 152.5 | 100% | 1.158 | 83% | 0.832 | S | S | * | * | 0 | 126 | 0 | -102.4 | 172.5 | 171.7 | 0 | 0 | 108 | |||||
| 2 | Q | 33.2 | Very low | 35.7 | Very low | 184 Ų | 184 | 147.3 Ų | 147.3 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | 62.9 | 146.6 | 158.2 | -68.3 | 172.4 | -19.4 | 0 | 0 | 118.4 | ||||
| 3 | R | 29.4 | Very low | 35.2 | Very low | 218 Ų | 218 | 149.1 Ų | 149.1 | 82% | 0.823 | 81% | 0.809 | S | S | * | * | cis | 173.2 | 122.2 | -29.3 | -119.3 | -169.1 | -171.6 | -163.9 | 4.3 | 103.3 | ||||
| 4 | L | 32.9 | Very low | 36 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 60.9 | 167.4 | 147.2 | -75.3 | 152.4 | 0 | 0 | 0 | 118.8 | ||||
| 5 | P | 39.9 | Very low | 36.3 | Very low | 114 Ų | 114 | 147.1 Ų | 147.1 | 74% | 0.74 | 80% | 0.804 | S | S | * | * | cis | -135.7 | 167 | 7.2 | 39.2 | -19.8 | 0 | 0 | 0 | 116.8 | ||||
| 6 | L | 35.2 | Very low | 37 | Very low | 158 Ų | 158 | 147 Ų | 147 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -85.1 | -169.9 | 150.9 | -71.8 | 165 | 0 | 0 | 0 | 108.8 | ||||
| 7 | P | 50.3 | Low | 37.8 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | -116.8 | 174.4 | -73.1 | 35.7 | -19.7 | 0 | 0 | 0 | 110.7 | |||||
| 8 | C | 28.7 | Very low | 38.7 | Very low | 123 Ų | 123 | 146.3 Ų | 146.3 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -149.8 | 115.4 | 157.9 | -108.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 9 | S | 32.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | 45.2 | 130.2 | 137.1 | 59.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 10 | S | 31.5 | Very low | 40.2 | Very low | 116 Ų | 116 | 145.9 Ų | 145.9 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | cis | 179.3 | 139.8 | 43.8 | 36.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 11 | L | 35.7 | Very low | 40.8 | Very low | 166 Ų | 166 | 143.1 Ų | 143.1 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -87.3 | 168.5 | 151.1 | -86.8 | 152.3 | 0 | 0 | 0 | 107.5 | ||||
| 12 | P | 43.4 | Very low | 41.6 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 58% | 0.584 | 77% | 0.765 | S | S | * | * | cis | -137.6 | 172.4 | 6.8 | 27.5 | -2.9 | 0 | 0 | 0 | 114.3 | ||||
| 13 | H | 29.6 | Very low | 42.5 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | 175.2 | 146.8 | 118 | -84.5 | -43.9 | 0 | 0 | 0 | 112.3 | |||||
| 14 | P | 45.8 | Very low | 43.6 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -91.3 | 134.4 | -167.7 | 35.5 | -29.6 | 0 | 0 | 0 | 110.9 | ||||
| 15 | I | 40.6 | Very low | 44.6 | Very low | 156 Ų | 156 | 126.5 Ų | 126.5 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | trans | -132.4 | 95.7 | 167.4 | -56.7 | -179.5 | 0 | 0 | 0 | 109.2 | ||||
| 16 | I | 47.8 | Very low | 45.1 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 74% | 0.744 | 72% | 0.72 | S | S | * | * | trans | 45.6 | 92.4 | 134.8 | -51.6 | 168.8 | 0 | 0 | 0 | 115.4 | L18 | I16-L18 HydrophobicContact CG2-CB 4.15Å; I16-L18 PolarHBondContact O-N 2.74Å | ||
| 17 | T | 50 | Low | 46 | Very low | 147 Ų | 147 | 123.7 Ų | 123.7 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | trans | -75.8 | 89.4 | 159.7 | 41.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 18 | L | 54 | Low | 46 | Very low | 134 Ų | 134 | 123.9 Ų | 123.9 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | trans | -149.5 | 88.4 | 165.8 | -163.8 | 78.7 | 0 | 0 | 0 | 109.5 | I16 | I16-L18 HydrophobicContact CG2-CB 4.15Å; I16-L18 PolarHBondContact O-N 2.74Å | ||
| 19 | N | 56.4 | Low | 47.1 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -178.3 | -0.1 | 152.5 | -99.5 | -22 | 0 | 0 | 0 | 117.5 | ||
| 20 | H | 51.6 | Low | 47.8 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.2 | -26.5 | 179.6 | -81.8 | -67.8 | 0 | 0 | 0 | 114.9 | L24 | H20-L24 PolarHBondContact O-N 3.34Å |
| 21 | A | 53.3 | Low | 48.6 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.3 | -33.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G25 | A21-G25 PolarHBondContact O-N 2.91Å |
| 22 | L | 52.1 | Low | 49.3 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 68% | 0.681 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -74.8 | -32 | 178.9 | -83.8 | 156.4 | 0 | 0 | 0 | 112.5 | L26 | L22-L26 PolarHBondContact O-N 3.41Å |
| 23 | F | 52.9 | Low | 49.8 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 69% | 0.693 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -73.4 | -35.6 | 179 | -129.7 | -87.3 | 0 | 0 | 0 | 112.6 | I27 | F23-I27 HydrophobicContact CD1-CD1 4.41Å |
| 24 | L | 52.7 | Low | 50.9 | Low | 114 Ų | 114 | 127.3 Ų | 127.3 | 60% | 0.597 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.2 | -34.1 | 175.1 | -84 | 156 | 0 | 0 | 0 | 112.4 | H20 L28 | H20-L24 PolarHBondContact O-N 3.34Å; L24-L28 PolarHBondContact O-N 3.41Å |
| 25 | G | 52.5 | Low | 51.1 | Low | 34 Ų | 34 | 130.3 Ų | 130.3 | 35% | 0.351 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -66.3 | -36.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A21 I29 | A21-G25 PolarHBondContact O-N 2.91Å; G25-I29 WeakPolarHBondContact O-CG1 3.36Å |
| 26 | L | 51.6 | Low | 51.2 | Low | 121 Ų | 121 | 126 Ų | 126 | 63% | 0.634 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.2 | -30.4 | -178.8 | -150.3 | 80.6 | 0 | 0 | 0 | 112.9 | L22 | L22-L26 PolarHBondContact O-N 3.41Å |
| 27 | I | 53.2 | Low | 51.4 | Low | 93 Ų | 93 | 123.5 Ų | 123.5 | 48% | 0.477 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -72.2 | -34.6 | 177.6 | -68.1 | 173.5 | 0 | 0 | 0 | 111.4 | F23 I29 | F23-I27 HydrophobicContact CD1-CD1 4.41Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.37Å |
| 28 | L | 49.7 | Very low | 51.3 | Low | 114 Ų | 114 | 126.9 Ų | 126.9 | 60% | 0.597 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -70.8 | -27.4 | 178.2 | -94.1 | 149.7 | 0 | 0 | 0 | 113.4 | L24 | L24-L28 PolarHBondContact O-N 3.41Å |
| 29 | I | 52.1 | Low | 51.1 | Low | 133 Ų | 133 | 123.9 Ų | 123.9 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -81 | -25.2 | 179.3 | -62.3 | 168.8 | 0 | 0 | 0 | 111.8 | G25 I27 Q31 | G25-I29 WeakPolarHBondContact O-CG1 3.36Å; I27-I29 VanDerWaalsContact C-N 3.35Å; I27-I29 PolarHBondContact O-N 3.37Å; I29-Q31 VanDerWaalsContact C-N 3.34Å |
| 30 | L | 47.9 | Very low | 50.7 | Low | 147 Ų | 147 | 124.3 Ų | 124.3 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -78.4 | -13.9 | 175.1 | -82.4 | 160.3 | 0 | 0 | 0 | 113.9 | ||
| 31 | Q | 48.1 | Very low | 50.7 | Low | 147 Ų | 147 | 123 Ų | 123 | 69% | 0.687 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -10.2 | 177.8 | -79 | -171.9 | -19 | 0 | 0 | 114.2 | I29 | I29-Q31 VanDerWaalsContact C-N 3.34Š|
| 32 | W | 49.3 | Very low | 50.7 | Low | 235 Ų | 235 | 124.1 Ų | 124.1 | 89% | 0.89 | 67% | 0.672 | S | S | * | * | trans | -112.1 | 54.3 | 177.9 | -76 | 17.5 | 0 | 0 | 0 | 111.1 | ||||
| 33 | G | 55.4 | Low | 51.1 | Low | 50 Ų | 50 | 123.7 Ų | 123.7 | 52% | 0.515 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -64.7 | 150.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | L35 | G33-L35 PolarHBondContact O-N 3.18Å; G33-L35 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 51.7 | Low | 51.5 | Low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | trans | -53.3 | 129.5 | 178.7 | 22.1 | -30.8 | 0 | 0 | 0 | 108.5 | G36 | P34-G36 PolarHBondContact O-N 3.42Š| ||
| 35 | L | 49.8 | Very low | 51.7 | Low | 175 Ų | 175 | 123.7 Ų | 123.7 | 92% | 0.916 | 68% | 0.684 | S | S | * | * | trans | -57.9 | 88.6 | 160.4 | -95 | 121.1 | 0 | 0 | 0 | 105.7 | G33 A37 | G33-L35 PolarHBondContact O-N 3.18Å; G33-L35 VanDerWaalsContact O-N 3.16Å; L35-A37 PolarHBondContact O-N 3.14Å | ||
| 36 | G | 44.1 | Very low | 52.3 | Low | 65 Ų | 65 | 129 Ų | 129 | 67% | 0.67 | 70% | 0.703 | S | S | * | * | trans | -57.2 | 99.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 104 | P34 R38 | P34-G36 PolarHBondContact O-N 3.42Å; G36-R38 PolarHBondContact O-N 3.19Å | ||
| 37 | A | 50.8 | Low | 52.7 | Low | 94 Ų | 94 | 128.5 Ų | 128.5 | 78% | 0.777 | 70% | 0.704 | S | S | * | * | trans | -56.7 | 92 | 157.8 | 0 | 0 | 0 | 0 | 0 | 104.2 | L35 A39 | L35-A37 PolarHBondContact O-N 3.14Å; A37-A39 PolarHBondContact O-N 2.8Å | ||
| 38 | R | 47.4 | Very low | 52.6 | Low | 218 Ų | 218 | 131.4 Ų | 131.4 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | trans | -68.6 | 82.9 | 162.5 | -151.8 | -177.3 | -170.2 | -164.4 | 1.8 | 102.4 | G36 Q40 | G36-R38 PolarHBondContact O-N 3.19Å; R38-Q40 PolarHBondContact O-N 3.12Å | ||
| 39 | A | 49.4 | Very low | 52.9 | Low | 71 Ų | 71 | 135 Ų | 135 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | trans | -58.7 | 93.6 | 160.9 | 0 | 0 | 0 | 0 | 0 | 103.4 | A37 N41 | A37-A39 PolarHBondContact O-N 2.8Å; A39-N41 PolarHBondContact O-N 2.74Å | ||
| 40 | Q | 48.8 | Very low | 53.2 | Low | 128 Ų | 128 | 131.6 Ų | 131.6 | 60% | 0.598 | 73% | 0.732 | S | S | * | * | trans | -69.5 | 88.3 | 171.7 | -172.9 | 145.8 | -27.1 | 0 | 0 | 103.2 | R38 D42 | R38-Q40 PolarHBondContact O-N 3.12Å; Q40-D42 HydrophobicContact CG-CB 4.07Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.4Å; Q40-D42 WeakPolarHBondContact CG-OD2 3.43Å; Q40-D42 PolarHBondContact NE2-OD2 3.28Å; Q40-D42 PolarHBondContact O-N 3.47Å | ||
| 41 | N | 52.7 | Low | 53.9 | Low | 137 Ų | 137 | 135.2 Ų | 135.2 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | trans | -70.5 | 56.3 | 169.8 | -71.9 | -16.3 | 0 | 0 | 0 | 107.8 | A39 T43 | A39-N41 PolarHBondContact O-N 2.74Å; N41-T43 PolarHBondContact O-N 2.9Å | ||
| 42 | D | 51.4 | Low | 54.5 | Low | 112 Ų | 112 | 133.5 Ų | 133.5 | 60% | 0.599 | 74% | 0.744 | S | S | * | * | trans | -75.7 | 60.4 | 167.3 | -75 | 2.3 | 0 | 0 | 0 | 107.4 | Q40 E44 | Q40-D42 HydrophobicContact CG-CB 4.07Å; Q40-D42 WeakPolarHBondContact CG-OD1 3.4Å; Q40-D42 WeakPolarHBondContact CG-OD2 3.43Å; Q40-D42 PolarHBondContact NE2-OD2 3.28Å; Q40-D42 PolarHBondContact O-N 3.47Å; D42-E44 PolarHBondContact O-N 2.87Å | ||
| 43 | T | 61.3 | Low | 55.3 | Low | 122 Ų | 122 | 126.5 Ų | 126.5 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | -78.8 | 77.8 | 148.8 | 32.1 | 0 | 0 | 0 | 0 | 105.6 | N41 | N41-T43 PolarHBondContact O-N 2.9Š| ||
| 44 | E | 62.1 | Low | 55.9 | Low | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -51.8 | 126 | 156.6 | -71.5 | -167.7 | 162.6 | 0 | 0 | 106.3 | D42 I46 | D42-E44 PolarHBondContact O-N 2.87Å; E44-I46 PolarHBondContact O-N 2.83Å | ||
| 45 | P | 55.9 | Low | 56.6 | Low | 109 Ų | 109 | 127 Ų | 127 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | trans | -59.5 | 121.5 | 179 | 23.9 | -31.4 | 0 | 0 | 0 | 107.4 | V47 | P45-V47 VanDerWaalsContact C-N 3.32Å; P45-V47 PolarHBondContact O-N 3.22Å | ||
| 46 | I | 65.1 | Low | 57.6 | Low | 146 Ų | 146 | 123.5 Ų | 123.5 | 75% | 0.749 | 70% | 0.703 | S | S | * | * | trans | -61.9 | 102.6 | 169 | -62.1 | 173.6 | 0 | 0 | 0 | 105.6 | E44 L48 | E44-I46 PolarHBondContact O-N 2.83Å; I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CG2-CD2 3.72Å; I46-L48 HydrophobicContact CG2-CG 4.2Å; I46-L48 PolarHBondContact O-N 2.97Å | ||
| 47 | V | 60.9 | Low | 58.3 | Low | 109 Ų | 109 | 125 Ų | 125 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | trans | -69.7 | 97.8 | 170.9 | -178.2 | 0 | 0 | 0 | 0 | 105.9 | P45 E49 | P45-V47 VanDerWaalsContact C-N 3.32Å; P45-V47 PolarHBondContact O-N 3.22Å; V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.4Å | ||
| 48 | L | 50.2 | Low | 58.3 | Low | 154 Ų | 154 | 125.5 Ų | 125.5 | 81% | 0.806 | 69% | 0.694 | S | S | * | * | trans | -71.7 | 88.9 | 170.2 | -64.2 | 175.7 | 0 | 0 | 0 | 107.5 | I46 G50 | I46-L48 VanDerWaalsContact C-N 3.32Å; I46-L48 HydrophobicContact CG2-CD2 3.72Å; I46-L48 HydrophobicContact CG2-CG 4.2Å; I46-L48 PolarHBondContact O-N 2.97Å; L48-G50 PolarHBondContact O-N 3.22Å | ||
| 49 | E | 55.9 | Low | 58.6 | Low | 189 Ų | 189 | 118.6 Ų | 118.6 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -68.7 | 95.7 | 170.4 | -67.3 | -168.4 | 172.1 | 0 | 0 | 109.1 | V47 | V47-E49 VanDerWaalsContact C-N 3.26Å; V47-E49 HydrophobicContact CG1-CG 3.9Å; V47-E49 PolarHBondContact O-N 3.4Å | ||
| 50 | G | 58 | Low | 58.5 | Low | 63 Ų | 63 | 120.6 Ų | 120.6 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | trans | -126.5 | 144.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L48 C52 | L48-G50 PolarHBondContact O-N 3.22Å; G50-C52 PolarHBondContact O-N 2.93Å | ||
| 51 | K | 63 | Low | 58.5 | Low | 223 Ų | 223 | 119.4 Ų | 119.4 | 97% | 0.97 | 69% | 0.689 | S | S | * | * | trans | -80.4 | 103.5 | 166.9 | -69.1 | -177.8 | -179.3 | 179.1 | 0 | 108.2 | ||||
| 52 | C | 62.2 | Low | 58.2 | Low | 110 Ų | 110 | 117.6 Ų | 117.6 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | trans | -93.4 | 129.5 | 173.9 | -171.8 | 0 | 0 | 0 | 0 | 109.9 | G50 | G50-C52 PolarHBondContact O-N 2.93Š| ||
| 53 | L | 65.9 | Low | 58.2 | Low | 88 Ų | 88 | 121 Ų | 121 | 46% | 0.461 | 70% | 0.699 | S | S | . | * | trans | -97.9 | 113.2 | 165.4 | -171.3 | 71.7 | 0 | 0 | 0 | 108.3 | V55 F206 V208 | L53-V55 HydrophobicContact CD2-CG2 4.28Å; L53-V55 HydrophobicContact CG-CG2 4.36Å; L53-F206 HydrophobicContact CD2-CE2 3.65Å; L53-F206 HydrophobicContact CD2-CZ 3.53Å; L53-V208 HydrophobicContact CD2-CG1 3.93Å; L53-V208 HydrophobicContact CD2-CG2 3.9Å | ||
| 54 | V | 68 | Low | 57.7 | Low | 109 Ų | 109 | 119.9 Ų | 119.9 | 66% | 0.661 | 69% | 0.694 | S | S | * | * | trans | -92.8 | 115.4 | 175.2 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 55 | V | 66.5 | Low | 57.5 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 50% | 0.503 | 70% | 0.698 | S | S | . | * | trans | -101.2 | 103 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 107.6 | L53 F206 | L53-V55 HydrophobicContact CD2-CG2 4.28Å; L53-V55 HydrophobicContact CG-CG2 4.36Å; V55-F206 HydrophobicContact CG2-CE2 4.15Å | ||
| 56 | C | 69.4 | Low | 57 | Low | 101 Ų | 101 | 116.2 Ų | 116.2 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | trans | -84.3 | 120.5 | 175.6 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | S58 | C56-S58 PolarHBondContact O-N 2.76Š| ||
| 57 | D | 59.8 | Low | 56.5 | Low | 96 Ų | 96 | 117.8 Ų | 117.8 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | trans | -84.6 | 85.4 | 170.2 | -165.8 | -3 | 0 | 0 | 0 | 108.6 | T59 V73 | D57-T59 PolarHBondContact O-N 2.87Å; D57-V73 VanDerWaalsContact CG-CG1 3.5Å; D57-V73 WeakPolarHBondContact OD1-CG1 3.34Å; D57-V73 VanDerWaalsContact OD2-CG1 3.25Å; D57-V73 WeakPolarHBondContact OD2-CG1 3.5Å | ||
| 58 | S | 50.3 | Low | 55.6 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | -77.2 | 88.2 | 175.8 | 38 | 0 | 0 | 0 | 0 | 109.8 | C56 P60 | C56-S58 PolarHBondContact O-N 2.76Å; S58-P60 WeakPolarHBondContact O-CD 3.31Å | ||
| 59 | T | 53.8 | Low | 55.5 | Low | 73 Ų | 73 | 118.8 Ų | 118.8 | 45% | 0.448 | 72% | 0.724 | S | S | . | * | trans | -93.6 | 100.8 | 157.2 | 58.6 | 0 | 0 | 0 | 0 | 109.5 | D57 S61 V73 | D57-T59 PolarHBondContact O-N 2.87Å; T59-S61 PolarHBondContact O-N 3.13Å; T59-V73 HydrophobicContact CG2-CB 4.37Å | ||
| 60 | P | 46.9 | Very low | 54.9 | Low | 114 Ų | 114 | 112.6 Ų | 112.6 | 74% | 0.74 | 71% | 0.711 | S | S | * | * | trans | -67.3 | 116.3 | 164.8 | 27 | -29.9 | 0 | 0 | 0 | 108.2 | S58 S62 | S58-P60 WeakPolarHBondContact O-CD 3.31Å; P60-S62 PolarHBondContact O-N 2.79Å | ||
| 61 | S | 49.3 | Very low | 54.4 | Low | 102 Ų | 102 | 114.8 Ų | 114.8 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | trans | -77.8 | 104.3 | 172 | 54 | 0 | 0 | 0 | 0 | 109.9 | T59 | T59-S61 PolarHBondContact O-N 3.13Š| ||
| 62 | S | 45.6 | Very low | 53.4 | Low | 99 Ų | 99 | 107.4 Ų | 107.4 | 69% | 0.692 | 68% | 0.682 | S | S | * | * | trans | -152.7 | 96.6 | 159.8 | 60.4 | 0 | 0 | 0 | 0 | 112 | P60 | P60-S62 PolarHBondContact O-N 2.79Š| ||
| 63 | E | 51.1 | Low | 52.8 | Low | 185 Ų | 185 | 105.6 Ų | 105.6 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | 66.2 | 164.6 | 143.3 | -68.7 | -63 | 121.3 | 0 | 0 | 120.2 | ||||
| 64 | P | 52.5 | Low | 51.9 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -102.7 | 159.6 | -131.3 | 39.4 | -37.3 | 0 | 0 | 0 | 116.1 | ||||
| 65 | S | 56.9 | Low | 51.2 | Low | 121 Ų | 121 | 108.8 Ų | 108.8 | 85% | 0.846 | 67% | 0.673 | S | S | * | * | trans | 45.1 | 109.2 | 158.4 | 63 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 66 | G | 44.8 | Very low | 50.7 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 76% | 0.763 | 67% | 0.67 | S | S | * | * | trans | 170.9 | 110 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A68 | G66-A68 PolarHBondContact O-N 3.09Š| ||
| 67 | N | 54.9 | Low | 50.2 | Low | 178 Ų | 178 | 106.2 Ų | 106.2 | 95% | 0.952 | 67% | 0.672 | S | S | * | * | trans | -23.4 | 116.5 | 178.3 | -70.3 | -15.4 | 0 | 0 | 0 | 116.2 | ||||
| 68 | A | 41.9 | Very low | 50.8 | Low | 90 Ų | 90 | 103 Ų | 103 | 74% | 0.744 | 66% | 0.662 | S | S | * | * | trans | -150.2 | 144 | 154.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | G66 G70 | G66-A68 PolarHBondContact O-N 3.09Å; A68-G70 PolarHBondContact O-N 3.08Å | ||
| 69 | L | 49.5 | Very low | 52.6 | Low | 195 Ų | 195 | 105.8 Ų | 105.8 | 100% | 1.021 | 66% | 0.656 | S | S | * | * | trans | -66.7 | 41.8 | 175.9 | -72.2 | 159.8 | 0 | 0 | 0 | 112.9 | ||||
| 70 | G | 42 | Very low | 54.6 | Low | 58 Ų | 58 | 102.7 Ų | 102.7 | 60% | 0.598 | 64% | 0.637 | S | S | * | * | trans | -87.6 | 108.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109 | A68 S72 | A68-G70 PolarHBondContact O-N 3.08Å; G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 2.7Å | ||
| 71 | M | 47.5 | Very low | 57 | Low | 109 Ų | 109 | 98.6 Ų | 98.6 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | trans | -51.2 | 99.6 | 162.5 | -72.5 | 164.6 | 22.1 | 0 | 0 | 109.1 | V73 R126 P210 | M71-V73 PolarHBondContact O-N 3.35Å; M71-R126 PolarHBondContact SD-NH1 2.83Å; M71-R126 PolarHBondContact SD-NH2 3.14Å; M71-P210 HydrophobicContact CE-CB 4.16Å; M71-P210 HydrophobicContact CE-CG 3.83Å | ||
| 72 | S | 43.3 | Very low | 59.3 | Low | 68 Ų | 68 | 94 Ų | 94 | 48% | 0.476 | 58% | 0.58 | S | S | . | * | trans | -65.8 | 118.4 | 175.3 | -171.4 | 0 | 0 | 0 | 0 | 108 | G70 R74 S75 | G70-S72 VanDerWaalsContact C-N 3.31Å; G70-S72 PolarHBondContact O-N 2.7Å; S72-R74 PolarHBondContact O-N 2.92Å; S72-R74 VanDerWaalsContact OG-CB 3.3Å; S72-R74 WeakPolarHBondContact OG-CB 3.41Å; S72-R74 WeakPolarHBondContact OG-CG 3.44Å; S72-R74 PolarHBondContact OG-N 3Å; S72-S75 PolarHBondContact O-N 3.16Å | ||
| 73 | V | 48.4 | Very low | 61.9 | Low | 72 Ų | 72 | 90.6 Ų | 90.6 | 44% | 0.436 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.4 | -8.9 | 171.9 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | D57 T59 M71 S75 | D57-V73 VanDerWaalsContact CG-CG1 3.5Å; D57-V73 WeakPolarHBondContact OD1-CG1 3.34Å; D57-V73 VanDerWaalsContact OD2-CG1 3.25Å; D57-V73 WeakPolarHBondContact OD2-CG1 3.5Å; T59-V73 HydrophobicContact CG2-CB 4.37Å; M71-V73 PolarHBondContact O-N 3.35Å; V73-S75 VanDerWaalsContact C-N 3.26Å; V73-S75 PolarHBondContact O-N 3.23Å |
| 74 | R | 48.4 | Very low | 64.1 | Low | 189 Ų | 189 | 81.8 Ų | 81.8 | 71% | 0.713 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.1 | 170.9 | -58.4 | -176.5 | 176.7 | -156.3 | -0.8 | 113.9 | S72 G76 | S72-R74 PolarHBondContact O-N 2.92Å; S72-R74 VanDerWaalsContact OG-CB 3.3Å; S72-R74 WeakPolarHBondContact OG-CB 3.41Å; S72-R74 WeakPolarHBondContact OG-CG 3.44Å; S72-R74 PolarHBondContact OG-N 3Å; R74-G76 PolarHBondContact O-N 3.29Å |
| 75 | S | 52.9 | Low | 66.3 | Low | 75 Ų | 75 | 78.2 Ų | 78.2 | 52% | 0.524 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -80.7 | 119.7 | 170.8 | -101 | 0 | 0 | 0 | 0 | 109.2 | S72 V73 A77 G78 | S72-S75 PolarHBondContact O-N 3.16Å; V73-S75 VanDerWaalsContact C-N 3.26Å; V73-S75 PolarHBondContact O-N 3.23Å; S75-A77 PolarHBondContact O-N 2.77Å; S75-G78 PolarHBondContact O-N 3.04Å |
| 76 | G | 54.9 | Low | 68.2 | Low | 43 Ų | 43 | 73.4 Ų | 73.4 | 44% | 0.443 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -50.9 | -9.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R74 G78 | R74-G76 PolarHBondContact O-N 3.29Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.46Å |
| 77 | A | 58.6 | Low | 70.6 | Confident | 88 Ų | 88 | 73.7 Ų | 73.7 | 73% | 0.727 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -66.1 | -13.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | S75 | S75-A77 PolarHBondContact O-N 2.77Š|
| 78 | G | 73.5 | Confident | 72.4 | Confident | 29 Ų | 29 | 67 Ų | 67 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -88.9 | -18.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.8 | S75 G76 | S75-G78 PolarHBondContact O-N 3.04Å; G76-G78 VanDerWaalsContact C-N 3.27Å; G76-G78 PolarHBondContact O-N 3.46Å |
| 79 | R | 87.6 | Confident | 74.7 | Confident | 161 Ų | 161 | 66.6 Ų | 66.6 | 61% | 0.608 | 39% | 0.39 | S | S | * | . | trans | -88.4 | 130.3 | -174.9 | -69.3 | -178.5 | -80.2 | -171.9 | -6.6 | 110.1 | V111 | R79-V111 HydrophobicContact CB-CG1 4Å; R79-V111 WeakPolarHBondContact O-CG1 3.34Å | ||
| 80 | V | 95.6 | Very high | 76.6 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 5% | 0.048 | 37% | 0.37 | C | S | . | . | trans | -138.2 | 120.7 | -179.5 | -178.7 | 0 | 0 | 0 | 0 | 108.4 | F122 P125 F130 F206 L207 | V80-F122 HydrophobicContact CG1-CE2 3.76Å; V80-F122 HydrophobicContact CG1-CZ 3.7Å; V80-P125 HydrophobicContact CG1-CG 4.28Å; V80-P125 HydrophobicContact CG2-CG 3.71Å; V80-F130 HydrophobicContact CG1-CE1 4.18Å; V80-F206 CarbonylContact O-C 3.47Å; V80-F206 VanDerWaalsContact O-CA 3.24Å; V80-F206 WeakPolarHBondContact O-CA 3.44Å; V80-F206 VanDerWaalsContact O-CB 3.28Å; V80-F206 WeakPolarHBondContact O-CB 3.34Å; V80-L207 HydrophobicContact CB-CB 3.81Å; V80-L207 HydrophobicContact CG2-CB 4.34Å; V80-L207 HydrophobicContact CG2-CD2 4.28Å; V80-L207 PolarHBondContact O-N 3.38Å | ||
| 81 | A | 97.3 | Very high | 78.8 | Confident | 28 Ų | 28 | 65 Ų | 65 | 23% | 0.231 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 144.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V109 N110 V111 G205 F206 | A81-V109 HydrophobicContact CB-CG1 4.25Å; A81-N110 CarbonylContact O-C 3.59Å; A81-N110 WeakPolarHBondContact O-CA 3.12Å; A81-V111 HydrophobicContact CB-CB 4.36Å; A81-V111 HydrophobicContact CB-CG2 4.37Å; A81-V111 PolarHBondContact N-O 3.07Å; A81-V111 PolarHBondContact O-N 3.36Å; A81-G205 CarbonylContact C-O 3.51Å; A81-G205 WeakPolarHBondContact CA-O 3.36Å; A81-F206 HydrophobicContact CB-CB 3.8Å |
| 82 | F | 98.6 | Very high | 80.6 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 2% | 0.022 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.3 | 168.9 | 76.6 | -80.3 | 0 | 0 | 0 | 111.1 | V109 F115 F122 F132 F203 S204 G205 | F82-V109 CarbonylContact C-O 3.58Å; F82-V109 WeakPolarHBondContact CA-O 3.48Å; F82-F115 HydrophobicContact CB-CB 3.74Å; F82-F115 HydrophobicContact CB-CG 4.26Å; F82-F115 HydrophobicContact CD1-CD2 4.49Å; F82-F115 HydrophobicContact CD2-CB 4.12Å; F82-F115 AromaticContact CD2-CD2 3.33Å; F82-F115 HydrophobicContact CD2-CD2 3.33Å; F82-F115 AromaticContact CD2-CE2 3.77Å; F82-F115 HydrophobicContact CD2-CE2 3.77Å; F82-F115 AromaticContact CD2-CG 3.76Å; F82-F115 HydrophobicContact CD2-CG 3.76Å; F82-F115 AromaticContact CE2-CD2 3.53Å; F82-F115 HydrophobicContact CE2-CD2 3.53Å; F82-F115 AromaticContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CG 4.39Å; F82-F115 HydrophobicContact CG-CB 3.91Å; F82-F115 AromaticContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CG 4.08Å; F82-F115 HydrophobicContact CZ-CD2 4.2Å; F82-F115 HydrophobicContact CZ-CE2 4.43Å; F82-F122 HydrophobicContact CD1-CB 4.39Å; F82-F122 AromaticContact CD1-CD2 3.39Å; F82-F122 HydrophobicContact CD1-CD2 3.39Å; F82-F122 AromaticContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CG 4.05Å; F82-F122 HydrophobicContact CE1-CB 3.9Å; F82-F122 AromaticContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CE2 4.26Å; F82-F122 AromaticContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CG-CD2 4.25Å; F82-F122 HydrophobicContact CZ-CB 4.16Å; F82-F122 HydrophobicContact CZ-CG 4.49Å; F82-F132 HydrophobicContact CE1-CD1 4.01Å; F82-F132 AromaticContact CE1-CE1 3.64Å; F82-F132 HydrophobicContact CE1-CE1 3.64Å; F82-F132 AromaticContact CZ-CD1 3.92Å; F82-F132 HydrophobicContact CZ-CD1 3.92Å; F82-F132 AromaticContact CZ-CE1 3.87Å; F82-F132 HydrophobicContact CZ-CE1 3.87Å; F82-F203 AromaticContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD2 4.29Å; F82-F203 AromaticContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE2 4.38Å; F82-F203 AromaticContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CZ 4.16Å; F82-F203 HydrophobicContact CZ-CD1 4.14Å; F82-F203 HydrophobicContact CZ-CD2 4.25Å; F82-F203 AromaticContact CZ-CE1 3.81Å; F82-F203 HydrophobicContact CZ-CE1 3.81Å; F82-F203 AromaticContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CG 4.35Å; F82-F203 AromaticContact CZ-CZ 3.7Å; F82-F203 HydrophobicContact CZ-CZ 3.7Å; F82-S204 WeakPolarHBondContact O-CA 3.34Å; F82-S204 WeakPolarHBondContact O-CB 3.38Å; F82-G205 WeakPolarHBondContact CD1-O 3.37Å; F82-G205 PolarHBondContact N-O 3.37Å; F82-G205 PolarHBondContact O-N 3.47Å |
| 83 | S | 98.7 | Very high | 82.6 | Confident | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 125.6 | 171.7 | -176.9 | 0 | 0 | 0 | 0 | 108.3 | L108 V109 | S83-L108 PolarHBondContact O-N 2.84Å; S83-V109 PolarHBondContact N-O 2.88Å; S83-V109 PolarHBondContact O-N 2.83Å; S83-V109 VanDerWaalsContact O-N 3.12Å |
| 84 | A | 98.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F104 Q106 I107 F115 T202 F203 | A84-F104 HydrophobicContact CB-CB 3.64Å; A84-F104 HydrophobicContact CB-CG 4.09Å; A84-Q106 CarbonylContact C-O 3.6Å; A84-Q106 VanDerWaalsContact CA-O 3.32Å; A84-Q106 WeakPolarHBondContact CA-O 3.29Å; A84-I107 HydrophobicContact CB-CD1 3.69Å; A84-F115 HydrophobicContact CB-CE1 3.9Å; A84-F115 HydrophobicContact CB-CZ 4.02Å; A84-T202 WeakPolarHBondContact O-CA 3.4Å; A84-F203 PolarHBondContact N-O 2.69Å; A84-F203 PolarHBondContact O-N 3.16Å |
| 85 | V | 98.4 | Very high | 85.7 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 14% | 0.139 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.1 | -178.2 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | D105 Q106 L108 S201 T202 | V85-D105 PolarHBondContact O-N 2.85Å; V85-Q106 HydrophobicContact CG2-CB 3.78Å; V85-Q106 HydrophobicContact CG2-CG 4.04Å; V85-Q106 PolarHBondContact N-O 3.17Å; V85-Q106 PolarHBondContact O-N 2.98Å; V85-Q106 VanDerWaalsContact O-N 3.07Å; V85-L108 HydrophobicContact CG1-CD1 3.58Å; V85-L108 HydrophobicContact CG1-CG 4.14Å; V85-L108 HydrophobicContact CG2-CD1 4.36Å; V85-L108 HydrophobicContact CG2-CD2 4.25Å; V85-L108 HydrophobicContact CG2-CG 4.24Å; V85-S201 CarbonylContact C-O 3.49Å; V85-S201 VanDerWaalsContact CA-O 3.29Å; V85-S201 WeakPolarHBondContact CA-O 3.33Å; V85-T202 HydrophobicContact CG1-CG2 3.91Å |
| 86 | R | 97.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 60 Ų | 60 | 7% | 0.072 | 34% | 0.337 | C | S | . | . | trans | -93.4 | 113.6 | 169.8 | -175.1 | 74 | 176.1 | 162.4 | -15.6 | 109 | T88 H90 F104 D105 W198 K199 Y200 S201 | R86-T88 WeakPolarHBondContact CG-O 3.34Å; R86-T88 PolarHBondContact NE-O 3.47Å; R86-T88 PolarHBondContact NE-OG1 3.24Å; R86-T88 PolarHBondContact NH1-OG1 3.37Å; R86-H90 PolarHBondContact NH2-O 2.96Å; R86-F104 HydrophobicContact CB-CD1 4.46Å; R86-D105 WeakPolarHBondContact CD-OD1 3.41Å; R86-D105 IonicContact CZ-OD1 2.7Å; R86-D105 IonicContact NE-OD1 3.54Å; R86-D105 IonicContact NH1-OD1 2.83Å; R86-D105 PolarHBondContact NH1-OD1 3.02Å; R86-W198 WeakPolarHBondContact CB-O 3.5Å; R86-W198 VanDerWaalsContact CD-NE1 3.3Å; R86-W198 HydrophobicContact CG-CD2 4.29Å; R86-W198 HydrophobicContact CG-CG 4.01Å; R86-W198 WeakPolarHBondContact CG-O 3.44Å; R86-K199 WeakPolarHBondContact O-CA 3.31Å; R86-Y200 PolarHBondContact O-N 3.04Å; R86-S201 PolarHBondContact N-O 2.78Å | ||
| 87 | N | 95.4 | Very high | 88.4 | Confident | 80 Ų | 80 | 61.7 Ų | 61.7 | 43% | 0.428 | 34% | 0.336 | S | S | . | . | trans | -99.6 | -5.3 | -178.4 | -160.9 | 14.5 | 0 | 0 | 0 | 113.5 | D105 Q106 K199 | N87-D105 WeakPolarHBondContact CB-OD2 3.42Å; N87-D105 PolarHBondContact N-OD1 2.83Å; N87-D105 PolarHBondContact N-OD2 2.99Å; N87-D105 VanDerWaalsContact N-OD2 3.16Å; N87-Q106 PolarHBondContact ND2-OE1 2.83Å; N87-Q106 VanDerWaalsContact ND2-OE1 3.14Å; N87-K199 WeakPolarHBondContact O-CD 3.39Å; N87-K199 WeakPolarHBondContact O-CE 3.41Å; N87-K199 PolarHBondContact O-NZ 2.68Å | ||
| 88 | T | 92.5 | Very high | 89.8 | Confident | 38 Ų | 38 | 67.9 Ų | 67.9 | 23% | 0.233 | 34% | 0.34 | C | S | . | . | trans | -118.6 | 151.6 | -176 | 65 | 0 | 0 | 0 | 0 | 112.7 | R86 D105 | R86-T88 WeakPolarHBondContact CG-O 3.34Å; R86-T88 PolarHBondContact NE-O 3.47Å; R86-T88 PolarHBondContact NE-OG1 3.24Å; R86-T88 PolarHBondContact NH1-OG1 3.37Å; T88-D105 PolarHBondContact OG1-OD1 3.07Å; T88-D105 VanDerWaalsContact OG1-OD1 3.13Å | ||
| 89 | N | 89.2 | Confident | 90.6 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | trans | -91.4 | 19.5 | 168.7 | -75.2 | -37.5 | 0 | 0 | 0 | 111.9 | E91 K199 | N89-E91 PolarHBondContact O-N 3Å; N89-K199 WeakPolarHBondContact OD1-CB 3.41Å | ||
| 90 | H | 89.7 | Confident | 90.9 | Very high | 130 Ų | 130 | 65.3 Ų | 65.3 | 60% | 0.602 | 33% | 0.333 | S | S | * | . | P | Polyproline II helix | trans | -65 | 139.5 | 179.9 | -67.4 | 175.2 | 0 | 0 | 0 | 110.4 | R86 W198 | R86-H90 PolarHBondContact NH2-O 2.96Å; H90-W198 WeakPolarHBondContact O-CZ3 3.35Å |
| 91 | E | 88.3 | Confident | 91 | Very high | 88 Ų | 88 | 66 Ų | 66 | 41% | 0.411 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 155.3 | 173.8 | -65.4 | -60.7 | 161.1 | 0 | 0 | 111.6 | N89 S93 M195 G196 | N89-E91 PolarHBondContact O-N 3Å; E91-S93 PolarHBondContact O-N 2.94Å; E91-M195 WeakPolarHBondContact OE2-CA 3.32Å; E91-M195 WeakPolarHBondContact OE2-CE 3.26Å; E91-G196 WeakPolarHBondContact OE1-CA 3.48Å; E91-G196 PolarHBondContact OE1-N 2.94Å; E91-G196 PolarHBondContact OE2-N 2.84Å |
| 92 | P | 85 | Confident | 91 | Very high | 15 Ų | 15 | 64.7 Ų | 64.7 | 10% | 0.097 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 138.1 | 173.2 | -19.5 | 30.4 | 0 | 0 | 0 | 111.1 | N97 L194 W198 | P92-N97 WeakPolarHBondContact CB-OD1 3.31Å; P92-L194 HydrophobicContact CG-CB 4.18Å; P92-W198 HydrophobicContact CB-CH2 4.31Å; P92-W198 HydrophobicContact CB-CZ3 4.21Å; P92-W198 HydrophobicContact CG-CH2 4.29Å; P92-W198 HydrophobicContact CG-CZ3 3.7Å |
| 93 | S | 85.1 | Confident | 90.9 | Very high | 73 Ų | 73 | 68.2 Ų | 68.2 | 51% | 0.51 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 162 | 170.4 | 65.7 | 0 | 0 | 0 | 0 | 110.9 | E91 M95 S96 N97 | E91-S93 PolarHBondContact O-N 2.94Å; S93-M95 PolarHBondContact O-N 3.01Å; S93-S96 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact OG-N 2.86Å; S93-N97 PolarHBondContact O-N 3.46Å |
| 94 | E | 83.2 | Confident | 90.8 | Very high | 179 Ų | 179 | 66.9 Ų | 66.9 | 84% | 0.836 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -53 | -39 | 173.8 | -67.7 | -175 | 168.5 | 0 | 0 | 112.3 | N97 R98 | E94-N97 PolarHBondContact O-N 3.4Å; E94-R98 PolarHBondContact O-N 3.03Å |
| 95 | M | 78.9 | Confident | 90.7 | Very high | 127 Ų | 127 | 69.4 Ų | 69.4 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 176.1 | -172.4 | 63.7 | 67.7 | 0 | 0 | 111.8 | S93 N97 R98 T99 | S93-M95 PolarHBondContact O-N 3.01Å; M95-N97 VanDerWaalsContact C-N 3.32Å; M95-N97 PolarHBondContact O-N 2.78Å; M95-R98 PolarHBondContact O-N 3.48Å; M95-R98 VanDerWaalsContact O-N 3.12Å; M95-T99 HydrophobicContact CG-CG2 4.39Å; M95-T99 PolarHBondContact O-N 3.33Å; M95-T99 PolarHBondContact O-OG1 2.83Å; M95-T99 HydrophobicContact SD-CG2 4.03Å |
| 96 | S | 82.1 | Confident | 90.6 | Very high | 14 Ų | 14 | 71.9 Ų | 71.9 | 10% | 0.098 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 178 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | S93 R98 M100 T101 | S93-S96 PolarHBondContact O-N 3.32Å; S93-S96 PolarHBondContact OG-N 2.86Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 3.4Å; S96-M100 WeakPolarHBondContact O-CA 2.91Å; S96-M100 PolarHBondContact O-N 3.17Å; S96-T101 PolarHBondContact OG-O 2.92Å |
| 97 | N | 83.8 | Confident | 90.7 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.4 | -30.8 | 173.6 | -76.3 | -27.1 | 0 | 0 | 0 | 112.9 | P92 S93 E94 M95 M100 | P92-N97 WeakPolarHBondContact CB-OD1 3.31Å; S93-N97 PolarHBondContact O-N 3.46Å; E94-N97 PolarHBondContact O-N 3.4Å; M95-N97 VanDerWaalsContact C-N 3.32Å; M95-N97 PolarHBondContact O-N 2.78Å; N97-M100 VanDerWaalsContact O-CE 3.26Å; N97-M100 WeakPolarHBondContact O-CE 3.34Å |
| 98 | R | 86.9 | Confident | 90.8 | Very high | 217 Ų | 217 | 74.5 Ų | 74.5 | 82% | 0.819 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -79.9 | -43.3 | 178.4 | -171.6 | 176.7 | 179.6 | 178.9 | 0.5 | 112.7 | E94 M95 S96 | E94-R98 PolarHBondContact O-N 3.03Å; M95-R98 PolarHBondContact O-N 3.48Å; M95-R98 VanDerWaalsContact O-N 3.12Å; S96-R98 VanDerWaalsContact C-N 3.29Å; S96-R98 PolarHBondContact O-N 3.4Å |
| 99 | T | 90.5 | Very high | 91.1 | Very high | 61 Ų | 61 | 75.6 Ų | 75.6 | 37% | 0.374 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -87 | -17.5 | -178 | 68.5 | 0 | 0 | 0 | 0 | 113 | M95 T101 | M95-T99 HydrophobicContact CG-CG2 4.39Å; M95-T99 PolarHBondContact O-N 3.33Å; M95-T99 PolarHBondContact O-OG1 2.83Å; M95-T99 HydrophobicContact SD-CG2 4.03Å; T99-T101 WeakPolarHBondContact CB-OG1 3.29Å; T99-T101 PolarHBondContact O-N 3.17Å; T99-T101 VanDerWaalsContact O-N 3.16Å; T99-T101 WeakPolarHBondContact OG1-CB 3.36Å; T99-T101 PolarHBondContact OG1-N 3.16Å; T99-T101 VanDerWaalsContact OG1-N 3.17Å; T99-T101 PolarHBondContact OG1-OG1 2.79Å |
| 100 | M | 94.8 | Very high | 91.5 | Very high | 75 Ų | 75 | 73.8 Ų | 73.8 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | trans | 55.7 | 19.4 | -168.2 | -60.8 | -63 | -177.5 | 0 | 0 | 113.4 | S96 N97 K188 L189 | S96-M100 WeakPolarHBondContact O-CA 2.91Å; S96-M100 PolarHBondContact O-N 3.17Å; N97-M100 VanDerWaalsContact O-CE 3.26Å; N97-M100 WeakPolarHBondContact O-CE 3.34Å; M100-K188 HydrophobicContact CB-CG 4.1Å; M100-K188 CarbonylContact O-C 3.58Å; M100-K188 WeakPolarHBondContact O-CA 3.33Å; M100-L189 HydrophobicContact CB-CB 4.4Å; M100-L189 WeakPolarHBondContact CB-O 3.3Å; M100-L189 PolarHBondContact O-N 2.88Å | ||
| 101 | T | 96.5 | Very high | 91.8 | Very high | 23 Ų | 23 | 70.7 Ų | 70.7 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 131.8 | 175.9 | -50.8 | 0 | 0 | 0 | 0 | 109.6 | S96 T99 Y186 | S96-T101 PolarHBondContact OG-O 2.92Å; T99-T101 WeakPolarHBondContact CB-OG1 3.29Å; T99-T101 PolarHBondContact O-N 3.17Å; T99-T101 VanDerWaalsContact O-N 3.16Å; T99-T101 WeakPolarHBondContact OG1-CB 3.36Å; T99-T101 PolarHBondContact OG1-N 3.16Å; T99-T101 VanDerWaalsContact OG1-N 3.17Å; T99-T101 PolarHBondContact OG1-OG1 2.79Å; T101-Y186 HydrophobicContact CG2-CD2 4.16Å |
| 102 | I | 97 | Very high | 92 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -82.9 | 123.8 | 177.9 | -54.6 | -178.2 | 0 | 0 | 0 | 108.9 | F104 S120 V136 V147 L187 L189 L194 | I102-F104 HydrophobicContact CB-CE2 4.45Å; I102-F104 HydrophobicContact CG2-CE2 4.03Å; I102-F104 HydrophobicContact CG2-CZ 4.03Å; I102-S120 WeakPolarHBondContact O-CB 3.43Å; I102-V136 HydrophobicContact CD1-CG1 4.2Å; I102-V136 HydrophobicContact CD1-CG2 3.91Å; I102-V147 HydrophobicContact CD1-CB 4.35Å; I102-V147 HydrophobicContact CD1-CG1 3.66Å; I102-V147 HydrophobicContact CD1-CG2 3.82Å; I102-L187 HydrophobicContact CB-CB 4.15Å; I102-L187 HydrophobicContact CD1-CB 4.22Å; I102-L187 HydrophobicContact CG1-CB 4.38Å; I102-L187 PolarHBondContact N-O 3.23Å; I102-L189 HydrophobicContact CD1-CB 4.45Å; I102-L189 HydrophobicContact CG1-CB 4.34Å; I102-L194 HydrophobicContact CD1-CD1 4.34Å; I102-L194 HydrophobicContact CG1-CD1 4.09Å; I102-L194 HydrophobicContact CG2-CD1 4.18Å |
| 103 | Y | 96.4 | Very high | 92.5 | Very high | 78 Ų | 78 | 72.4 Ų | 72.4 | 31% | 0.306 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 144.3 | -173.8 | -174.2 | -94.9 | 0 | 0 | 0 | 112.8 | D105 P117 S120 W198 | Y103-D105 HydrophobicContact CE1-CB 3.93Å; Y103-P117 WeakPolarHBondContact CE2-O 3.37Å; Y103-P117 VanDerWaalsContact CZ-O 3.22Å; Y103-P117 PolarHBondContact OH-O 2.9Å; Y103-S120 WeakPolarHBondContact CA-OG 3.36Å; Y103-S120 WeakPolarHBondContact CD2-OG 3.47Å; Y103-W198 PolarHBondContact O-NE1 2.84Å |
| 104 | F | 97.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 71.7 Ų | 71.7 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | trans | -124.5 | 119.5 | 176.3 | -60.9 | -92.1 | 0 | 0 | 0 | 109.8 | A84 R86 I102 S120 L187 F203 | A84-F104 HydrophobicContact CB-CB 3.64Å; A84-F104 HydrophobicContact CB-CG 4.09Å; R86-F104 HydrophobicContact CB-CD1 4.46Å; I102-F104 HydrophobicContact CB-CE2 4.45Å; I102-F104 HydrophobicContact CG2-CE2 4.03Å; I102-F104 HydrophobicContact CG2-CZ 4.03Å; F104-S120 PolarHBondContact N-OG 2.83Å; F104-L187 HydrophobicContact CE2-CD1 4.04Å; F104-L187 HydrophobicContact CZ-CD1 3.83Å; F104-F203 HydrophobicContact CD1-CB 4.39Å; F104-F203 HydrophobicContact CD2-CB 4.13Å; F104-F203 HydrophobicContact CD2-CD1 4.48Å; F104-F203 HydrophobicContact CE1-CB 3.87Å; F104-F203 HydrophobicContact CE2-CB 3.58Å; F104-F203 HydrophobicContact CE2-CD1 4.12Å; F104-F203 HydrophobicContact CE2-CG 4.24Å; F104-F203 HydrophobicContact CZ-CB 3.44Å; F104-F203 VanDerWaalsContact CZ-CB 3.44Å; F104-F203 HydrophobicContact CZ-CG 4.45Å | ||
| 105 | D | 95.3 | Very high | 93.9 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | trans | -86.4 | -18.4 | -172.5 | 53.8 | -108.7 | 0 | 0 | 0 | 114.6 | V85 R86 N87 T88 Y103 | V85-D105 PolarHBondContact O-N 2.85Å; R86-D105 WeakPolarHBondContact CD-OD1 3.41Å; R86-D105 IonicContact CZ-OD1 2.7Å; R86-D105 IonicContact NE-OD1 3.54Å; R86-D105 IonicContact NH1-OD1 2.83Å; R86-D105 PolarHBondContact NH1-OD1 3.02Å; N87-D105 WeakPolarHBondContact CB-OD2 3.42Å; N87-D105 PolarHBondContact N-OD1 2.83Å; N87-D105 PolarHBondContact N-OD2 2.99Å; N87-D105 VanDerWaalsContact N-OD2 3.16Å; T88-D105 PolarHBondContact OG1-OD1 3.07Å; T88-D105 VanDerWaalsContact OG1-OD1 3.13Å; Y103-D105 HydrophobicContact CE1-CB 3.93Å | ||
| 106 | Q | 97.8 | Very high | 94.7 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 35% | 0.35 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.2 | -177.1 | -178.1 | 177.6 | -2 | 0 | 0 | 110.9 | A84 V85 N87 L108 | A84-Q106 CarbonylContact C-O 3.6Å; A84-Q106 VanDerWaalsContact CA-O 3.32Å; A84-Q106 WeakPolarHBondContact CA-O 3.29Å; V85-Q106 HydrophobicContact CG2-CB 3.78Å; V85-Q106 HydrophobicContact CG2-CG 4.04Å; V85-Q106 PolarHBondContact N-O 3.17Å; V85-Q106 PolarHBondContact O-N 2.98Å; V85-Q106 VanDerWaalsContact O-N 3.07Å; N87-Q106 PolarHBondContact ND2-OE1 2.83Å; N87-Q106 VanDerWaalsContact ND2-OE1 3.14Å; Q106-L108 HydrophobicContact CG-CD2 4.16Å |
| 107 | I | 98.3 | Very high | 95.3 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 29% | 0.292 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.5 | 176.1 | -53.7 | -53.4 | 0 | 0 | 0 | 109 | A84 V109 N110 F115 P117 | A84-I107 HydrophobicContact CB-CD1 3.69Å; I107-V109 WeakPolarHBondContact CG2-O 3.49Å; I107-N110 HydrophobicContact CG2-CB 3.79Å; I107-F115 HydrophobicContact CD1-CD1 3.64Å; I107-F115 HydrophobicContact CD1-CE1 3.5Å; I107-P117 HydrophobicContact CD1-CB 3.97Å; I107-P117 HydrophobicContact CG1-CB 3.9Å |
| 108 | L | 98.2 | Very high | 95.8 | Very high | 97 Ų | 97 | 61 Ų | 61 | 51% | 0.508 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -39.6 | 175.9 | -56.4 | -176.4 | 0 | 0 | 0 | 111.3 | S83 V85 Q106 | S83-L108 PolarHBondContact O-N 2.84Å; V85-L108 HydrophobicContact CG1-CD1 3.58Å; V85-L108 HydrophobicContact CG1-CG 4.14Å; V85-L108 HydrophobicContact CG2-CD1 4.36Å; V85-L108 HydrophobicContact CG2-CD2 4.25Å; V85-L108 HydrophobicContact CG2-CG 4.24Å; Q106-L108 HydrophobicContact CG-CD2 4.16Å |
| 109 | V | 98 | Very high | 96.1 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.37 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.9 | -179.2 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | A81 F82 S83 I107 V111 | A81-V109 HydrophobicContact CB-CG1 4.25Å; F82-V109 CarbonylContact C-O 3.58Å; F82-V109 WeakPolarHBondContact CA-O 3.48Å; S83-V109 PolarHBondContact N-O 2.88Å; S83-V109 PolarHBondContact O-N 2.83Å; S83-V109 VanDerWaalsContact O-N 3.12Å; I107-V109 WeakPolarHBondContact CG2-O 3.49Å; V109-V111 HydrophobicContact CG1-CG2 3.84Å |
| 110 | N | 97.4 | Very high | 96.4 | Very high | 44 Ų | 44 | 55.5 Ų | 55.5 | 24% | 0.235 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 59.5 | 171.9 | -160.8 | 2.3 | 0 | 0 | 0 | 111.3 | A81 I107 G112 S113 H114 F115 | A81-N110 CarbonylContact O-C 3.59Å; A81-N110 WeakPolarHBondContact O-CA 3.12Å; I107-N110 HydrophobicContact CG2-CB 3.79Å; N110-G112 PolarHBondContact O-N 3.33Å; N110-S113 PolarHBondContact O-N 3.33Å; N110-S113 WeakPolarHBondContact OD1-CA 3.32Å; N110-H114 PolarHBondContact OD1-N 3.03Å; N110-F115 PolarHBondContact ND2-O 2.92Å; N110-F115 PolarHBondContact OD1-N 2.84Å; N110-F115 VanDerWaalsContact OD1-N 3.16Å |
| 111 | V | 95.9 | Very high | 96.6 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 39% | 0.394 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 121.8 | 177.9 | -175.5 | 0 | 0 | 0 | 0 | 109 | R79 A81 V109 S113 | R79-V111 HydrophobicContact CB-CG1 4Å; R79-V111 WeakPolarHBondContact O-CG1 3.34Å; A81-V111 HydrophobicContact CB-CB 4.36Å; A81-V111 HydrophobicContact CB-CG2 4.37Å; A81-V111 PolarHBondContact N-O 3.07Å; A81-V111 PolarHBondContact O-N 3.36Å; V109-V111 HydrophobicContact CG1-CG2 3.84Å; V111-S113 VanDerWaalsContact C-N 3.33Å |
| 112 | G | 93.3 | Very high | 96.7 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -6.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N110 H114 | N110-G112 PolarHBondContact O-N 3.33Å; G112-H114 VanDerWaalsContact C-N 3.29Å; G112-H114 PolarHBondContact O-CD2 2.78Å; G112-H114 PolarHBondContact O-CE1 2.81Å; G112-H114 PolarHBondContact O-N 2.89Å; G112-H114 PolarHBondContact O-ND1 2.85Å; G112-H114 PolarHBondContact O-NE2 2.96Å |
| 113 | S | 96.4 | Very high | 96.8 | Very high | 98 Ų | 98 | 54.7 Ų | 54.7 | 69% | 0.685 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 56.1 | 40 | -179.8 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | N110 V111 | N110-S113 PolarHBondContact O-N 3.33Å; N110-S113 WeakPolarHBondContact OD1-CA 3.32Å; V111-S113 VanDerWaalsContact C-N 3.33Å |
| 114 | H | 97.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.269 | 29% | 0.291 | S | S | . | . | trans | -98.2 | -3.8 | -176.8 | -63.7 | -47.7 | 0 | 0 | 0 | 113.8 | N110 G112 F122 V123 P125 | N110-H114 PolarHBondContact OD1-N 3.03Å; G112-H114 VanDerWaalsContact C-N 3.29Å; G112-H114 PolarHBondContact O-CD2 2.78Å; G112-H114 PolarHBondContact O-CE1 2.81Å; G112-H114 PolarHBondContact O-N 2.89Å; G112-H114 PolarHBondContact O-ND1 2.85Å; G112-H114 PolarHBondContact O-NE2 2.96Å; H114-F122 HydrophobicContact CB-CD2 4.24Å; H114-F122 HydrophobicContact CB-CE2 3.74Å; H114-F122 HydrophobicContact CB-CZ 4.44Å; H114-F122 WeakPolarHBondContact O-CA 3.26Å; H114-V123 WeakPolarHBondContact CB-O 3.35Å; H114-V123 PolarHBondContact O-N 3.03Å; H114-P125 VanDerWaalsContact CD2-CG 3.5Å; H114-P125 WeakPolarHBondContact CD2-CG 3.33Å; H114-P125 VanDerWaalsContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact NE2-CB 3.35Å | ||
| 115 | F | 98.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 121.8 | 167.4 | -172.5 | -97 | 0 | 0 | 0 | 110.1 | F82 A84 I107 N110 P117 F122 F203 | F82-F115 HydrophobicContact CB-CB 3.74Å; F82-F115 HydrophobicContact CB-CG 4.26Å; F82-F115 HydrophobicContact CD1-CD2 4.49Å; F82-F115 HydrophobicContact CD2-CB 4.12Å; F82-F115 AromaticContact CD2-CD2 3.33Å; F82-F115 HydrophobicContact CD2-CD2 3.33Å; F82-F115 AromaticContact CD2-CE2 3.77Å; F82-F115 HydrophobicContact CD2-CE2 3.77Å; F82-F115 AromaticContact CD2-CG 3.76Å; F82-F115 HydrophobicContact CD2-CG 3.76Å; F82-F115 AromaticContact CE2-CD2 3.53Å; F82-F115 HydrophobicContact CE2-CD2 3.53Å; F82-F115 AromaticContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CE2 3.61Å; F82-F115 HydrophobicContact CE2-CG 4.39Å; F82-F115 HydrophobicContact CG-CB 3.91Å; F82-F115 AromaticContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CD2 3.87Å; F82-F115 HydrophobicContact CG-CG 4.08Å; F82-F115 HydrophobicContact CZ-CD2 4.2Å; F82-F115 HydrophobicContact CZ-CE2 4.43Å; A84-F115 HydrophobicContact CB-CE1 3.9Å; A84-F115 HydrophobicContact CB-CZ 4.02Å; I107-F115 HydrophobicContact CD1-CD1 3.64Å; I107-F115 HydrophobicContact CD1-CE1 3.5Å; N110-F115 PolarHBondContact ND2-O 2.92Å; N110-F115 PolarHBondContact OD1-N 2.84Å; N110-F115 VanDerWaalsContact OD1-N 3.16Å; F115-P117 VanDerWaalsContact O-CD 3.29Å; F115-P117 WeakPolarHBondContact O-CD 3.36Å; F115-F122 HydrophobicContact CD2-CB 4.09Å; F115-F203 AromaticContact CE2-CD1 3.9Å; F115-F203 HydrophobicContact CE2-CD1 3.9Å; F115-F203 AromaticContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CZ-CD1 4.4Å |
| 116 | D | 97.6 | Very high | 96.9 | Very high | 40 Ų | 40 | 53 Ų | 53 | 21% | 0.214 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.2 | 174.4 | 178.8 | -7.7 | 0 | 0 | 0 | 109.5 | A118 R119 S120 I121 | D116-A118 VanDerWaalsContact C-N 3.27Å; D116-A118 PolarHBondContact O-N 3.38Å; D116-A118 WeakPolarHBondContact OD1-CB 3.35Å; D116-A118 PolarHBondContact OD1-N 3Å; D116-R119 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact OD1-N 2.84Å; D116-R119 VanDerWaalsContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CG 3.38Å; D116-R119 IonicContact OD2-CZ 3.65Å; D116-R119 IonicContact OD2-NE 3.84Å; D116-R119 IonicContact OD2-NH1 2.74Å; D116-R119 PolarHBondContact OD2-NH1 2.82Å; D116-S120 VanDerWaalsContact O-CA 3.29Å; D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 PolarHBondContact O-N 2.9Å; D116-I121 PolarHBondContact N-O 3.45Å; D116-I121 PolarHBondContact O-N 2.92Å |
| 117 | P | 94.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 37% | 0.37 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -22.1 | -178 | 30 | -36 | 0 | 0 | 0 | 113 | Y103 I107 F115 R119 | Y103-P117 WeakPolarHBondContact CE2-O 3.37Å; Y103-P117 VanDerWaalsContact CZ-O 3.22Å; Y103-P117 PolarHBondContact OH-O 2.9Å; I107-P117 HydrophobicContact CD1-CB 3.97Å; I107-P117 HydrophobicContact CG1-CB 3.9Å; F115-P117 VanDerWaalsContact O-CD 3.29Å; F115-P117 WeakPolarHBondContact O-CD 3.36Å; P117-R119 VanDerWaalsContact C-N 3.32Å |
| 118 | A | 93.3 | Very high | 96.8 | Very high | 73 Ų | 73 | 50.8 Ų | 50.8 | 60% | 0.603 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -28 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D116 | D116-A118 VanDerWaalsContact C-N 3.27Å; D116-A118 PolarHBondContact O-N 3.38Å; D116-A118 WeakPolarHBondContact OD1-CB 3.35Å; D116-A118 PolarHBondContact OD1-N 3Å |
| 119 | R | 94.3 | Very high | 96.7 | Very high | 164 Ų | 164 | 47.1 Ų | 47.1 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -13.1 | -180 | -59.3 | -175.9 | 179.5 | 104 | -3.7 | 113.7 | D116 P117 I121 | D116-R119 PolarHBondContact O-N 2.92Å; D116-R119 PolarHBondContact OD1-N 2.84Å; D116-R119 VanDerWaalsContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CD 3.31Å; D116-R119 WeakPolarHBondContact OD2-CG 3.38Å; D116-R119 IonicContact OD2-CZ 3.65Å; D116-R119 IonicContact OD2-NE 3.84Å; D116-R119 IonicContact OD2-NH1 2.74Å; D116-R119 PolarHBondContact OD2-NH1 2.82Å; P117-R119 VanDerWaalsContact C-N 3.32Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CB 4.26Å; R119-I121 HydrophobicContact CB-CD1 3.73Å; R119-I121 HydrophobicContact CB-CG1 3.8Å; R119-I121 PolarHBondContact O-N 3.48Å |
| 120 | S | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 42.8 | -168.8 | -64.8 | 0 | 0 | 0 | 0 | 112.7 | I102 Y103 F104 D116 | I102-S120 WeakPolarHBondContact O-CB 3.43Å; Y103-S120 WeakPolarHBondContact CA-OG 3.36Å; Y103-S120 WeakPolarHBondContact CD2-OG 3.47Å; F104-S120 PolarHBondContact N-OG 2.83Å; D116-S120 VanDerWaalsContact O-CA 3.29Å; D116-S120 WeakPolarHBondContact O-CA 3.38Å; D116-S120 PolarHBondContact O-N 2.9Å |
| 121 | I | 98.4 | Very high | 96.7 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.149 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.1 | -178.6 | -62.1 | 175.6 | 0 | 0 | 0 | 109.3 | D116 R119 V123 K184 Y186 | D116-I121 PolarHBondContact N-O 3.45Å; D116-I121 PolarHBondContact O-N 2.92Å; R119-I121 VanDerWaalsContact C-N 3.27Å; R119-I121 HydrophobicContact CB-CB 4.26Å; R119-I121 HydrophobicContact CB-CD1 3.73Å; R119-I121 HydrophobicContact CB-CG1 3.8Å; R119-I121 PolarHBondContact O-N 3.48Å; I121-V123 HydrophobicContact CG2-CG2 4.23Å; I121-K184 HydrophobicContact CG2-CB 3.88Å; I121-K184 HydrophobicContact CG2-CD 4.44Å; I121-K184 HydrophobicContact CG2-CG 4.18Å; I121-Y186 HydrophobicContact CG1-CD1 4.26Å; I121-Y186 HydrophobicContact CG1-CG 4.23Å |
| 122 | F | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 135.4 | 165.3 | 177.6 | -99.9 | 0 | 0 | 0 | 110.2 | V80 F82 H114 F115 A124 F130 F132 M179 K184 A185 | V80-F122 HydrophobicContact CG1-CE2 3.76Å; V80-F122 HydrophobicContact CG1-CZ 3.7Å; F82-F122 HydrophobicContact CD1-CB 4.39Å; F82-F122 AromaticContact CD1-CD2 3.39Å; F82-F122 HydrophobicContact CD1-CD2 3.39Å; F82-F122 AromaticContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CE2 3.89Å; F82-F122 HydrophobicContact CD1-CG 4.05Å; F82-F122 HydrophobicContact CE1-CB 3.9Å; F82-F122 AromaticContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CD2 3.6Å; F82-F122 HydrophobicContact CE1-CE2 4.26Å; F82-F122 AromaticContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CE1-CG 3.75Å; F82-F122 HydrophobicContact CG-CD2 4.25Å; F82-F122 HydrophobicContact CZ-CB 4.16Å; F82-F122 HydrophobicContact CZ-CG 4.49Å; H114-F122 HydrophobicContact CB-CD2 4.24Å; H114-F122 HydrophobicContact CB-CE2 3.74Å; H114-F122 HydrophobicContact CB-CZ 4.44Å; H114-F122 WeakPolarHBondContact O-CA 3.26Å; F115-F122 HydrophobicContact CD2-CB 4.09Å; F122-A124 HydrophobicContact CE1-CB 4.24Å; F122-F130 AromaticContact CE1-CD1 3.82Å; F122-F130 HydrophobicContact CE1-CD1 3.82Å; F122-F130 AromaticContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CZ 4.43Å; F122-F130 AromaticContact CZ-CD1 3.88Å; F122-F130 HydrophobicContact CZ-CD1 3.88Å; F122-F130 AromaticContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CZ 4.44Å; F122-F132 HydrophobicContact CB-CE1 4.32Å; F122-F132 AromaticContact CD1-CE1 3.88Å; F122-F132 HydrophobicContact CD1-CE1 3.88Å; F122-F132 AromaticContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CE1-CE1 4.49Å; F122-F132 HydrophobicContact CE1-CZ 4.04Å; F122-F132 HydrophobicContact CG-CE1 4.18Å; F122-F132 HydrophobicContact CG-CZ 4.42Å; F122-M179 HydrophobicContact CD1-CE 4.16Å; F122-M179 HydrophobicContact CD1-SD 4.39Å; F122-M179 HydrophobicContact CE1-CE 4.33Å; F122-M179 HydrophobicContact CE1-SD 4.23Å; F122-K184 CarbonylContact O-C 3.57Å; F122-K184 WeakPolarHBondContact O-CA 3.46Å; F122-A185 HydrophobicContact CB-CB 4.38Å; F122-A185 HydrophobicContact CD1-CB 4.34Å; F122-A185 PolarHBondContact N-O 3.17Å; F122-A185 PolarHBondContact O-N 2.88Å |
| 123 | V | 98.6 | Very high | 97 | Very high | 51 Ų | 51 | 39.9 Ų | 39.9 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 118.4 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 109.4 | H114 I121 P125 D183 K184 | H114-V123 WeakPolarHBondContact CB-O 3.35Å; H114-V123 PolarHBondContact O-N 3.03Å; I121-V123 HydrophobicContact CG2-CG2 4.23Å; V123-P125 WeakPolarHBondContact O-CD 3.34Å; V123-D183 CarbonylContact C-O 3.57Å; V123-D183 WeakPolarHBondContact CA-O 3.35Å; V123-K184 HydrophobicContact CG2-CG 4.35Å |
| 124 | A | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | trans | -63.4 | 121.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F122 R126 F130 M179 E180 R181 G182 D183 | F122-A124 HydrophobicContact CE1-CB 4.24Å; A124-R126 VanDerWaalsContact C-N 3.25Å; A124-R126 PolarHBondContact O-N 2.73Å; A124-F130 HydrophobicContact CB-CE2 4.01Å; A124-F130 HydrophobicContact CB-CZ 3.97Å; A124-M179 HydrophobicContact CB-CB 3.78Å; A124-M179 HydrophobicContact CB-CE 3.71Å; A124-M179 HydrophobicContact CB-SD 4.19Å; A124-E180 VanDerWaalsContact CB-O 3.31Å; A124-E180 WeakPolarHBondContact CB-O 3.17Å; A124-R181 WeakPolarHBondContact O-CA 3.45Å; A124-G182 PolarHBondContact O-N 2.92Å; A124-D183 HydrophobicContact CB-CB 4.4Å; A124-D183 PolarHBondContact N-O 2.66Å | ||
| 125 | P | 96.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 35.9 Ų | 35.9 | 22% | 0.221 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -76.1 | -16.7 | -179.1 | 28.8 | -34.7 | 0 | 0 | 0 | 113.5 | V80 H114 V123 R181 | V80-P125 HydrophobicContact CG1-CG 4.28Å; V80-P125 HydrophobicContact CG2-CG 3.71Å; H114-P125 VanDerWaalsContact CD2-CG 3.5Å; H114-P125 WeakPolarHBondContact CD2-CG 3.33Å; H114-P125 VanDerWaalsContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact CE1-CB 3.44Å; H114-P125 WeakPolarHBondContact NE2-CB 3.35Å; V123-P125 WeakPolarHBondContact O-CD 3.34Å; P125-R181 WeakPolarHBondContact O-CD 3.21Å; P125-R181 WeakPolarHBondContact O-CG 3.22Å |
| 126 | R | 96.1 | Very high | 97.1 | Very high | 64 Ų | 64 | 35.7 Ų | 35.7 | 24% | 0.242 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -161 | 164.8 | -173.8 | 63.5 | 179.8 | -60.1 | 140.9 | 12.3 | 110.7 | M71 A124 L207 | M71-R126 PolarHBondContact SD-NH1 2.83Å; M71-R126 PolarHBondContact SD-NH2 3.14Å; A124-R126 VanDerWaalsContact C-N 3.25Å; A124-R126 PolarHBondContact O-N 2.73Å; R126-L207 HydrophobicContact CG-CD2 4.47Å |
| 127 | K | 97.4 | Very high | 96.9 | Very high | 84 Ų | 84 | 35.1 Ų | 35.1 | 37% | 0.365 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -63.8 | 135.4 | 170.5 | -166.8 | -172.7 | 177.3 | 119.4 | 0 | 111.2 | M179 E180 L211 | K127-M179 VanDerWaalsContact CA-O 3.26Å; K127-M179 WeakPolarHBondContact CA-O 3.42Å; K127-E180 VanDerWaalsContact CE-OE1 3.31Å; K127-E180 WeakPolarHBondContact CE-OE1 3.43Å; K127-E180 WeakPolarHBondContact CG-OE2 3.32Å; K127-E180 IonicContact NZ-OE1 3.51Å; K127-E180 PolarHBondContact NZ-OE1 2.89Å; K127-E180 IonicContact NZ-OE2 2.84Å; K127-L211 HydrophobicContact CD-CB 4.01Å; K127-L211 HydrophobicContact CG-CB 4.01Å; K127-L211 PolarHBondContact O-N 3.48Å |
| 128 | G | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | -178.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T178 M179 F209 | G128-T178 WeakPolarHBondContact O-CA 3.24Å; G128-M179 PolarHBondContact N-O 2.89Å; G128-M179 VanDerWaalsContact N-O 3.09Å; G128-M179 PolarHBondContact O-N 3.44Å; G128-F209 WeakPolarHBondContact CA-O 3.28Å |
| 129 | V | 96.4 | Very high | 95.8 | Very high | 20 Ų | 20 | 29.9 Ų | 29.9 | 12% | 0.121 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 123.4 | 172.8 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | L176 V177 V208 F209 L211 | V129-L176 HydrophobicContact CG1-CB 4.24Å; V129-L176 HydrophobicContact CG1-CD2 4.27Å; V129-V177 WeakPolarHBondContact CA-O 3.39Å; V129-V208 WeakPolarHBondContact O-CB 3.44Å; V129-V208 PolarHBondContact O-N 3.2Å; V129-F209 HydrophobicContact CB-CD2 4.33Å; V129-F209 HydrophobicContact CB-CE1 4.37Å; V129-F209 HydrophobicContact CB-CE2 3.84Å; V129-F209 HydrophobicContact CB-CZ 3.84Å; V129-F209 HydrophobicContact CG1-CZ 4.35Å; V129-F209 HydrophobicContact CG2-CD2 4.22Å; V129-F209 HydrophobicContact CG2-CE2 3.4Å; V129-F209 VanDerWaalsContact CG2-CE2 3.4Å; V129-F209 HydrophobicContact CG2-CZ 3.62Å; V129-F209 PolarHBondContact N-O 3.13Å; V129-L211 HydrophobicContact CG2-CD1 4.15Å |
| 130 | F | 97.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 140.6 | -178.5 | -68.4 | -94.9 | 0 | 0 | 0 | 110.8 | V80 F122 A124 F132 L176 V177 M179 F206 L207 | V80-F130 HydrophobicContact CG1-CE1 4.18Å; F122-F130 AromaticContact CE1-CD1 3.82Å; F122-F130 HydrophobicContact CE1-CD1 3.82Å; F122-F130 AromaticContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CE1 3.79Å; F122-F130 HydrophobicContact CE1-CZ 4.43Å; F122-F130 AromaticContact CZ-CD1 3.88Å; F122-F130 HydrophobicContact CZ-CD1 3.88Å; F122-F130 AromaticContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CE1 3.59Å; F122-F130 HydrophobicContact CZ-CZ 4.44Å; A124-F130 HydrophobicContact CB-CE2 4.01Å; A124-F130 HydrophobicContact CB-CZ 3.97Å; F130-F132 HydrophobicContact CB-CD2 4.31Å; F130-F132 HydrophobicContact CB-CE2 3.59Å; F130-F132 HydrophobicContact CB-CZ 4.07Å; F130-L176 CarbonylContact O-C 3.52Å; F130-L176 VanDerWaalsContact O-CA 3.31Å; F130-L176 WeakPolarHBondContact O-CA 3.25Å; F130-V177 HydrophobicContact CB-CG2 4.42Å; F130-V177 PolarHBondContact N-O 2.92Å; F130-V177 PolarHBondContact O-N 3.34Å; F130-M179 HydrophobicContact CB-SD 4.16Å; F130-M179 HydrophobicContact CD2-CB 3.74Å; F130-M179 HydrophobicContact CD2-CG 3.9Å; F130-M179 HydrophobicContact CD2-SD 3.87Å; F130-M179 HydrophobicContact CE2-CB 3.86Å; F130-M179 HydrophobicContact CE2-CG 4.48Å; F130-M179 HydrophobicContact CE2-SD 4.46Å; F130-M179 HydrophobicContact CG-SD 4Å; F130-F206 WeakPolarHBondContact CA-O 3.19Å; F130-L207 HydrophobicContact CD1-CB 4.08Å; F130-L207 HydrophobicContact CD1-CD1 4.31Å; F130-L207 HydrophobicContact CD2-CD1 4.32Å; F130-L207 HydrophobicContact CE1-CB 3.73Å; F130-L207 HydrophobicContact CE1-CD1 3.88Å; F130-L207 HydrophobicContact CE1-CG 4.38Å; F130-L207 HydrophobicContact CE2-CD1 3.9Å; F130-L207 HydrophobicContact CZ-CB 4.35Å; F130-L207 HydrophobicContact CZ-CD1 3.68Å |
| 131 | S | 97.5 | Very high | 93.2 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 16% | 0.161 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.2 | 169.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | G205 F206 | S131-G205 CarbonylContact O-C 3.59Å; S131-G205 WeakPolarHBondContact O-CA 2.96Å; S131-F206 PolarHBondContact N-O 3.46Å; S131-F206 PolarHBondContact O-N 3.32Å |
| 132 | F | 98.5 | Very high | 92.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.7 | 171.7 | -65.8 | -82.5 | 0 | 0 | 0 | 110.1 | F82 F122 F130 L149 A174 G175 V177 M179 A185 F203 S204 | F82-F132 HydrophobicContact CE1-CD1 4.01Å; F82-F132 AromaticContact CE1-CE1 3.64Å; F82-F132 HydrophobicContact CE1-CE1 3.64Å; F82-F132 AromaticContact CZ-CD1 3.92Å; F82-F132 HydrophobicContact CZ-CD1 3.92Å; F82-F132 AromaticContact CZ-CE1 3.87Å; F82-F132 HydrophobicContact CZ-CE1 3.87Å; F122-F132 HydrophobicContact CB-CE1 4.32Å; F122-F132 AromaticContact CD1-CE1 3.88Å; F122-F132 HydrophobicContact CD1-CE1 3.88Å; F122-F132 AromaticContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CD1-CZ 3.67Å; F122-F132 HydrophobicContact CE1-CE1 4.49Å; F122-F132 HydrophobicContact CE1-CZ 4.04Å; F122-F132 HydrophobicContact CG-CE1 4.18Å; F122-F132 HydrophobicContact CG-CZ 4.42Å; F130-F132 HydrophobicContact CB-CD2 4.31Å; F130-F132 HydrophobicContact CB-CE2 3.59Å; F130-F132 HydrophobicContact CB-CZ 4.07Å; F132-L149 HydrophobicContact CB-CD1 4.37Å; F132-L149 HydrophobicContact CB-CD2 3.74Å; F132-L149 HydrophobicContact CD1-CD1 4.49Å; F132-L149 HydrophobicContact CD2-CD2 4.01Å; F132-L149 HydrophobicContact CG-CD1 4.29Å; F132-L149 HydrophobicContact CG-CD2 4.02Å; F132-A174 CarbonylContact O-C 3.54Å; F132-A174 WeakPolarHBondContact O-CA 3.22Å; F132-A174 WeakPolarHBondContact O-CB 3.13Å; F132-G175 PolarHBondContact N-O 3.29Å; F132-G175 PolarHBondContact O-N 2.81Å; F132-V177 HydrophobicContact CD2-CG2 3.7Å; F132-V177 HydrophobicContact CE2-CG2 3.49Å; F132-V177 VanDerWaalsContact CE2-CG2 3.49Å; F132-M179 HydrophobicContact CE2-SD 3.63Å; F132-M179 HydrophobicContact CZ-SD 3.63Å; F132-A185 HydrophobicContact CE1-CB 3.8Å; F132-A185 HydrophobicContact CE2-CB 4.14Å; F132-A185 HydrophobicContact CZ-CB 3.53Å; F132-F203 HydrophobicContact CB-CE2 4.41Å; F132-F203 AromaticContact CD1-CE2 3.78Å; F132-F203 HydrophobicContact CD1-CE2 3.78Å; F132-F203 AromaticContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CE1-CZ 4.33Å; F132-F203 HydrophobicContact CG-CE2 4.49Å; F132-S204 WeakPolarHBondContact CA-O 3.32Å |
| 133 | C | 98 | Very high | 91.3 | Very high | 36 Ų | 36 | 42.2 Ų | 42.2 | 24% | 0.243 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138.9 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | A174 S204 | C133-A174 HydrophobicContact CB-CB 4.03Å; C133-S204 PolarHBondContact N-O 3.43Å; C133-S204 PolarHBondContact O-N 3.5Å |
| 134 | F | 98.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.5 | 174.3 | 66.7 | -91.3 | 0 | 0 | 0 | 112 | V136 V147 L149 I157 A159 T172 N173 L187 T202 F203 | F134-V136 HydrophobicContact CD2-CG2 4.29Å; F134-V147 HydrophobicContact CD2-CG1 4.04Å; F134-V147 HydrophobicContact CE2-CB 4.08Å; F134-V147 HydrophobicContact CE2-CG1 3.67Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; F134-L149 HydrophobicContact CE1-CB 4.14Å; F134-I157 HydrophobicContact CE1-CD1 4.13Å; F134-I157 HydrophobicContact CE1-CG1 4.27Å; F134-A159 HydrophobicContact CE2-CB 3.74Å; F134-A159 HydrophobicContact CZ-CB 3.9Å; F134-T172 WeakPolarHBondContact O-CA 3.34Å; F134-N173 WeakPolarHBondContact CD1-O 3.19Å; F134-N173 HydrophobicContact CE1-CB 3.8Å; F134-N173 HydrophobicContact CE2-CB 4.35Å; F134-N173 HydrophobicContact CZ-CB 3.61Å; F134-N173 PolarHBondContact N-O 3.42Å; F134-N173 PolarHBondContact O-N 2.66Å; F134-L187 HydrophobicContact CB-CD1 3.51Å; F134-L187 HydrophobicContact CB-CD2 4.05Å; F134-L187 HydrophobicContact CB-CG 4.41Å; F134-L187 HydrophobicContact CD1-CD2 3.7Å; F134-L187 HydrophobicContact CD2-CD1 4.21Å; F134-L187 HydrophobicContact CD2-CD2 4.4Å; F134-L187 HydrophobicContact CE1-CD2 4.21Å; F134-L187 HydrophobicContact CG-CD1 3.9Å; F134-L187 HydrophobicContact CG-CD2 3.8Å; F134-T202 WeakPolarHBondContact CA-O 3.37Å; F134-F203 HydrophobicContact CB-CD2 4.05Å |
| 135 | H | 97.8 | Very high | 90.6 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 33% | 0.333 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 111.7 | 170.4 | -58.1 | -95.3 | 0 | 0 | 0 | 107.2 | T172 S201 T202 | H135-T172 WeakPolarHBondContact CE1-CG2 3.37Å; H135-T172 WeakPolarHBondContact ND1-CG2 2.92Å; H135-T172 PolarHBondContact ND1-OG1 3.46Å; H135-S201 CarbonylContact O-C 3.54Å; H135-S201 WeakPolarHBondContact O-CA 3.44Å; H135-S201 WeakPolarHBondContact O-CB 3.3Å; H135-T202 PolarHBondContact CD2-OG1 2.82Å; H135-T202 VanDerWaalsContact CD2-OG1 3.29Å; H135-T202 PolarHBondContact N-O 2.71Å; H135-T202 PolarHBondContact O-N 2.78Å |
| 136 | V | 97.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 106.6 | 175 | 177.7 | 0 | 0 | 0 | 0 | 109 | I102 F134 I145 V147 A170 A171 L187 L194 S201 | I102-V136 HydrophobicContact CD1-CG1 4.2Å; I102-V136 HydrophobicContact CD1-CG2 3.91Å; F134-V136 HydrophobicContact CD2-CG2 4.29Å; V136-I145 HydrophobicContact CG1-CD1 4.37Å; V136-V147 HydrophobicContact CB-CG2 4Å; V136-V147 HydrophobicContact CG1-CG2 4.1Å; V136-V147 HydrophobicContact CG2-CG1 3.89Å; V136-V147 HydrophobicContact CG2-CG2 4.15Å; V136-A170 CarbonylContact O-C 3.45Å; V136-A170 VanDerWaalsContact O-CA 3.3Å; V136-A170 WeakPolarHBondContact O-CA 3.48Å; V136-A171 HydrophobicContact CB-CB 4.46Å; V136-A171 PolarHBondContact N-O 3.16Å; V136-A171 PolarHBondContact O-N 2.83Å; V136-L187 HydrophobicContact CG2-CD1 4.13Å; V136-L194 HydrophobicContact CG1-CD2 4.13Å; V136-S201 WeakPolarHBondContact CA-OG 3.19Å |
| 137 | V | 94.1 | Very high | 90.7 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 17% | 0.17 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.2 | -176.2 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V139 E169 A170 W198 S201 | V137-V139 HydrophobicContact CG1-CG2 4.27Å; V137-E169 WeakPolarHBondContact CA-O 3.41Å; V137-A170 HydrophobicContact CG2-CB 4.15Å; V137-W198 CarbonylContact O-C 3.57Å; V137-W198 WeakPolarHBondContact O-CA 3.35Å; V137-W198 VanDerWaalsContact O-CB 3.31Å; V137-W198 WeakPolarHBondContact O-CB 3.41Å; V137-S201 PolarHBondContact N-OG 2.84Å; V137-S201 PolarHBondContact O-OG 3.12Å |
| 138 | K | 88.1 | Confident | 90.8 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.2 | 173.2 | -171.4 | 173.1 | 171.3 | -164.9 | 0 | 109.8 | Y140 N141 I145 E169 N193 | K138-Y140 WeakPolarHBondContact CE-O 3.39Å; K138-N141 HydrophobicContact CD-CB 4.33Å; K138-N141 WeakPolarHBondContact CD-OD1 3.48Å; K138-N141 WeakPolarHBondContact CE-OD1 3.31Å; K138-N141 HydrophobicContact CG-CB 4.47Å; K138-N141 PolarHBondContact NZ-OD1 3.1Å; K138-I145 HydrophobicContact CD-CG2 4.15Å; K138-E169 PolarHBondContact N-O 2.8Å; K138-E169 PolarHBondContact O-N 2.88Å; K138-N193 WeakPolarHBondContact CE-O 3.45Å; K138-N193 PolarHBondContact NZ-O 3.3Å |
| 139 | V | 76 | Confident | 90.9 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 10% | 0.097 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -88.8 | -10.2 | -170.6 | 175 | 0 | 0 | 0 | 0 | 113.3 | V137 R168 | V137-V139 HydrophobicContact CG1-CG2 4.27Å; V139-R168 HydrophobicContact CB-CG 4.44Å; V139-R168 HydrophobicContact CG1-CG 4.13Å; V139-R168 HydrophobicContact CG2-CG 4.42Å |
| 140 | Y | 71.3 | Confident | 91 | Very high | 148 Ų | 148 | 35.4 Ų | 35.4 | 58% | 0.58 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -139.5 | 77.7 | 175.4 | -67.1 | -77 | 0 | 0 | 0 | 109.5 | K138 V166 | K138-Y140 WeakPolarHBondContact CE-O 3.39Å; Y140-V166 HydrophobicContact CD1-CG1 3.94Å |
| 141 | N | 66.7 | Low | 91 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -90.3 | 118 | -179.8 | -148 | 13.1 | 0 | 0 | 0 | 111.2 | K138 Q143 A161 G162 E169 | K138-N141 HydrophobicContact CD-CB 4.33Å; K138-N141 WeakPolarHBondContact CD-OD1 3.48Å; K138-N141 WeakPolarHBondContact CE-OD1 3.31Å; K138-N141 HydrophobicContact CG-CB 4.47Å; K138-N141 PolarHBondContact NZ-OD1 3.1Å; N141-Q143 PolarHBondContact OD1-N 2.92Å; N141-Q143 PolarHBondContact OD1-O 2.85Å; N141-A161 PolarHBondContact ND2-O 3.17Å; N141-G162 WeakPolarHBondContact ND2-CA 3.3Å; N141-E169 PolarHBondContact ND2-OE2 2.81Å | ||
| 142 | R | 74.1 | Confident | 91 | Very high | 216 Ų | 216 | 39.4 Ų | 39.4 | 82% | 0.815 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -115.8 | 1.8 | 167 | -71.1 | -172.4 | 174.2 | 179.6 | -1.2 | 112 | V166 | R142-V166 HydrophobicContact CG-CG2 4.43Š|
| 143 | Q | 82.3 | Confident | 90.9 | Very high | 89 Ų | 89 | 41.3 Ų | 41.3 | 42% | 0.416 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -151.6 | 128.2 | -173.8 | -177.6 | -178.3 | 5.5 | 0 | 0 | 110 | N141 I145 N193 | N141-Q143 PolarHBondContact OD1-N 2.92Å; N141-Q143 PolarHBondContact OD1-O 2.85Å; Q143-I145 PolarHBondContact O-N 2.92Å; Q143-N193 PolarHBondContact OE1-ND2 2.98Å |
| 144 | T | 89.3 | Confident | 90.9 | Very high | 59 Ų | 59 | 46 Ų | 46 | 36% | 0.362 | 22% | 0.222 | S | C | . | . | trans | -52.2 | 126.5 | 174.5 | -46.5 | 0 | 0 | 0 | 0 | 112 | A161 | T144-A161 CarbonylContact C-O 3.58Å; T144-A161 WeakPolarHBondContact CA-O 3.34Å | ||
| 145 | I | 93.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 147 | 171.3 | 62.6 | 169 | 0 | 0 | 0 | 110.4 | V136 K138 Q143 V147 F160 A161 A171 L189 R191 L194 | V136-I145 HydrophobicContact CG1-CD1 4.37Å; K138-I145 HydrophobicContact CD-CG2 4.15Å; Q143-I145 PolarHBondContact O-N 2.92Å; I145-V147 HydrophobicContact CD1-CG2 4.23Å; I145-F160 VanDerWaalsContact O-CA 3.32Å; I145-F160 WeakPolarHBondContact O-CA 3.21Å; I145-A161 HydrophobicContact CD1-CB 4.15Å; I145-A161 HydrophobicContact CG1-CB 3.81Å; I145-A161 WeakPolarHBondContact CG1-O 3.31Å; I145-A161 PolarHBondContact N-O 2.96Å; I145-A161 PolarHBondContact O-N 2.82Å; I145-A161 VanDerWaalsContact O-N 3.14Å; I145-A171 HydrophobicContact CD1-CB 4.25Å; I145-L189 HydrophobicContact CB-CD1 3.97Å; I145-L189 HydrophobicContact CG2-CD1 4.23Å; I145-R191 VanDerWaalsContact CA-O 3.29Å; I145-R191 WeakPolarHBondContact CA-O 3.18Å; I145-L194 HydrophobicContact CD1-CD2 4.3Å |
| 146 | Q | 96.6 | Very high | 90.8 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.1 | 167.8 | 179.9 | -178.3 | -14.9 | 0 | 0 | 108.4 | A159 F160 L189 E190 R191 | Q146-A159 WeakPolarHBondContact CA-O 3.46Å; Q146-F160 HydrophobicContact CB-CD1 3.79Å; Q146-F160 HydrophobicContact CB-CE1 3.63Å; Q146-F160 HydrophobicContact CB-CZ 4.49Å; Q146-F160 VanDerWaalsContact CD-CE1 3.47Å; Q146-F160 HydrophobicContact CG-CD1 3.93Å; Q146-F160 HydrophobicContact CG-CE1 3.41Å; Q146-F160 VanDerWaalsContact CG-CE1 3.41Å; Q146-F160 HydrophobicContact CG-CZ 3.8Å; Q146-L189 CarbonylContact O-C 3.55Å; Q146-E190 HydrophobicContact CB-CB 4.37Å; Q146-E190 HydrophobicContact CG-CB 4.11Å; Q146-E190 PolarHBondContact O-N 3.47Å; Q146-R191 HydrophobicContact CB-CB 3.69Å; Q146-R191 PolarHBondContact N-O 3.04Å; Q146-R191 PolarHBondContact O-N 3.21Å |
| 147 | V | 98.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.6 | 177 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | I102 F134 V136 I145 S158 A159 A171 L187 K188 L189 | I102-V147 HydrophobicContact CD1-CB 4.35Å; I102-V147 HydrophobicContact CD1-CG1 3.66Å; I102-V147 HydrophobicContact CD1-CG2 3.82Å; F134-V147 HydrophobicContact CD2-CG1 4.04Å; F134-V147 HydrophobicContact CE2-CB 4.08Å; F134-V147 HydrophobicContact CE2-CG1 3.67Å; F134-V147 HydrophobicContact CZ-CG1 4.32Å; V136-V147 HydrophobicContact CB-CG2 4Å; V136-V147 HydrophobicContact CG1-CG2 4.1Å; V136-V147 HydrophobicContact CG2-CG1 3.89Å; V136-V147 HydrophobicContact CG2-CG2 4.15Å; I145-V147 HydrophobicContact CD1-CG2 4.23Å; V147-S158 CarbonylContact O-C 3.42Å; V147-S158 VanDerWaalsContact O-CA 3.27Å; V147-S158 WeakPolarHBondContact O-CA 3.41Å; V147-A159 PolarHBondContact N-O 2.97Å; V147-A159 PolarHBondContact O-N 2.97Å; V147-A171 HydrophobicContact CB-CB 4.19Å; V147-A171 HydrophobicContact CG2-CB 3.94Å; V147-L187 HydrophobicContact CG1-CB 4.36Å; V147-K188 WeakPolarHBondContact CA-O 3.27Å; V147-L189 HydrophobicContact CG2-CD1 4.19Å |
| 148 | S | 98.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 136.6 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | V150 I157 S158 L187 K188 E190 | S148-V150 PolarHBondContact O-N 3.02Å; S148-I157 CarbonylContact C-O 3.55Å; S148-I157 VanDerWaalsContact CA-O 3.3Å; S148-I157 WeakPolarHBondContact CA-O 3.39Å; S148-S158 PolarHBondContact OG-OG 3.2Å; S148-L187 WeakPolarHBondContact O-CA 3.43Å; S148-K188 PolarHBondContact N-O 3.23Å; S148-K188 PolarHBondContact O-N 3.14Å; S148-E190 WeakPolarHBondContact OG-CG 3.36Å |
| 149 | L | 98.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 120.4 | 158.8 | 177.3 | 66.9 | 0 | 0 | 0 | 107.4 | F132 F134 V156 I157 A185 L187 F203 | F132-L149 HydrophobicContact CB-CD1 4.37Å; F132-L149 HydrophobicContact CB-CD2 3.74Å; F132-L149 HydrophobicContact CD1-CD1 4.49Å; F132-L149 HydrophobicContact CD2-CD2 4.01Å; F132-L149 HydrophobicContact CG-CD1 4.29Å; F132-L149 HydrophobicContact CG-CD2 4.02Å; F134-L149 HydrophobicContact CE1-CB 4.14Å; L149-V156 PolarHBondContact O-N 2.96Å; L149-I157 HydrophobicContact CB-CD1 4.39Å; L149-I157 HydrophobicContact CB-CG1 3.68Å; L149-I157 HydrophobicContact CD2-CD1 4.12Å; L149-I157 HydrophobicContact CD2-CG1 4Å; L149-I157 HydrophobicContact CG-CG1 4.48Å; L149-I157 PolarHBondContact N-O 3.05Å; L149-A185 HydrophobicContact CD1-CB 4.45Å; L149-L187 HydrophobicContact CB-CD2 4.19Å; L149-L187 HydrophobicContact CD1-CD2 3.97Å; L149-F203 HydrophobicContact CD1-CE2 4.05Å; L149-F203 HydrophobicContact CD1-CZ 4.01Å |
| 150 | V | 98.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.8 | -177.1 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | S148 G153 H154 A185 Y186 K188 | S148-V150 PolarHBondContact O-N 3.02Å; V150-G153 VanDerWaalsContact CG1-CA 3.4Å; V150-H154 CarbonylContact C-O 3.58Å; V150-H154 WeakPolarHBondContact CA-O 3.32Å; V150-A185 VanDerWaalsContact O-CA 3.31Å; V150-A185 WeakPolarHBondContact O-CA 3.29Å; V150-Y186 HydrophobicContact CB-CD2 4.25Å; V150-Y186 HydrophobicContact CB-CE1 4.25Å; V150-Y186 HydrophobicContact CB-CE2 3.91Å; V150-Y186 HydrophobicContact CG1-CE1 3.9Å; V150-Y186 HydrophobicContact CG1-CE2 3.97Å; V150-Y186 WeakPolarHBondContact CG1-OH 3.41Å; V150-Y186 HydrophobicContact CG2-CE2 4.37Å; V150-Y186 PolarHBondContact N-O 3.21Å; V150-Y186 PolarHBondContact O-N 2.79Å; V150-Y186 VanDerWaalsContact O-N 3.07Å; V150-K188 HydrophobicContact CG2-CB 3.59Å; V150-K188 HydrophobicContact CG2-CD 4.35Å |
| 151 | L | 98.4 | Very high | 93.4 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 118.2 | 172.2 | -178 | 64.5 | 0 | 0 | 0 | 108.7 | G153 H154 V156 M179 D183 K184 | L151-G153 PolarHBondContact O-N 3.04Å; L151-G153 VanDerWaalsContact O-N 3.08Å; L151-H154 PolarHBondContact N-O 3.04Å; L151-H154 PolarHBondContact O-N 2.98Å; L151-V156 HydrophobicContact CB-CG2 3.55Å; L151-M179 HydrophobicContact CD1-CE 3.57Å; L151-M179 HydrophobicContact CD1-CG 3.94Å; L151-M179 HydrophobicContact CD1-SD 4.21Å; L151-D183 HydrophobicContact CD1-CB 4.06Å; L151-K184 WeakPolarHBondContact CA-O 3.18Å |
| 152 | N | 97.3 | Very high | 94.3 | Very high | 76 Ų | 76 | 51.7 Ų | 51.7 | 41% | 0.406 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 34.9 | 179.1 | -64.4 | -25.3 | 0 | 0 | 0 | 114.4 | D183 K184 | N152-D183 PolarHBondContact ND2-OD1 3.24Å; N152-D183 WeakPolarHBondContact OD1-CA 3.36Å; N152-K184 PolarHBondContact N-O 3.21Å; N152-K184 PolarHBondContact OD1-N 2.77Å |
| 153 | G | 96.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 45 Ų | 45 | 42% | 0.423 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -7.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V150 L151 | V150-G153 VanDerWaalsContact CG1-CA 3.4Å; L151-G153 PolarHBondContact O-N 3.04Å; L151-G153 VanDerWaalsContact O-N 3.08Å |
| 154 | H | 97.4 | Very high | 93.2 | Very high | 135 Ų | 135 | 49.5 Ų | 49.5 | 63% | 0.625 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.2 | 177.9 | -62.3 | -73.8 | 0 | 0 | 0 | 112.1 | V150 L151 | V150-H154 CarbonylContact C-O 3.58Å; V150-H154 WeakPolarHBondContact CA-O 3.32Å; L151-H154 PolarHBondContact N-O 3.04Å; L151-H154 PolarHBondContact O-N 2.98Å |
| 155 | P | 97.7 | Very high | 92.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 48% | 0.481 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 133.4 | 176.5 | 28.6 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 156 | V | 97.4 | Very high | 90.8 | Very high | 66 Ų | 66 | 56 Ų | 56 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -52.7 | -178.8 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | L149 L151 V177 | L149-V156 PolarHBondContact O-N 2.96Å; L151-V156 HydrophobicContact CB-CG2 3.55Å; V156-V177 HydrophobicContact CG1-CG1 3.76Å |
| 157 | I | 98 | Very high | 89.6 | Confident | 37 Ų | 37 | 56.1 Ų | 56.1 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 145.9 | 175.4 | 57.1 | 172.7 | 0 | 0 | 0 | 109.1 | F134 S148 L149 N173 | F134-I157 HydrophobicContact CE1-CD1 4.13Å; F134-I157 HydrophobicContact CE1-CG1 4.27Å; S148-I157 CarbonylContact C-O 3.55Å; S148-I157 VanDerWaalsContact CA-O 3.3Å; S148-I157 WeakPolarHBondContact CA-O 3.39Å; L149-I157 HydrophobicContact CB-CD1 4.39Å; L149-I157 HydrophobicContact CB-CG1 3.68Å; L149-I157 HydrophobicContact CD2-CD1 4.12Å; L149-I157 HydrophobicContact CD2-CG1 4Å; L149-I157 HydrophobicContact CG-CG1 4.48Å; L149-I157 PolarHBondContact N-O 3.05Å; I157-N173 HydrophobicContact CD1-CB 4.24Å |
| 158 | S | 98.3 | Very high | 88.8 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 27% | 0.273 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 152.3 | -179 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | V147 S148 N173 | V147-S158 CarbonylContact O-C 3.42Å; V147-S158 VanDerWaalsContact O-CA 3.27Å; V147-S158 WeakPolarHBondContact O-CA 3.41Å; S148-S158 PolarHBondContact OG-OG 3.2Å; S158-N173 PolarHBondContact O-ND2 3.2Å |
| 159 | A | 97.7 | Very high | 88.4 | Confident | 7 Ų | 7 | 67.3 Ų | 67.3 | 6% | 0.058 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 152.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F134 Q146 V147 A171 N173 | F134-A159 HydrophobicContact CE2-CB 3.74Å; F134-A159 HydrophobicContact CZ-CB 3.9Å; Q146-A159 WeakPolarHBondContact CA-O 3.46Å; V147-A159 PolarHBondContact N-O 2.97Å; V147-A159 PolarHBondContact O-N 2.97Å; A159-A171 HydrophobicContact CB-CB 3.85Å; A159-N173 HydrophobicContact CB-CB 4.04Å |
| 160 | F | 94.9 | Very high | 88.1 | Confident | 124 Ų | 124 | 69.4 Ų | 69.4 | 54% | 0.544 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.1 | 177.7 | -59.5 | -92.9 | 0 | 0 | 0 | 109.6 | I145 Q146 | I145-F160 VanDerWaalsContact O-CA 3.32Å; I145-F160 WeakPolarHBondContact O-CA 3.21Å; Q146-F160 HydrophobicContact CB-CD1 3.79Å; Q146-F160 HydrophobicContact CB-CE1 3.63Å; Q146-F160 HydrophobicContact CB-CZ 4.49Å; Q146-F160 VanDerWaalsContact CD-CE1 3.47Å; Q146-F160 HydrophobicContact CG-CD1 3.93Å; Q146-F160 HydrophobicContact CG-CE1 3.41Å; Q146-F160 VanDerWaalsContact CG-CE1 3.41Å; Q146-F160 HydrophobicContact CG-CZ 3.8Å |
| 161 | A | 91.8 | Very high | 88 | Confident | 6 Ų | 6 | 69.4 Ų | 69.4 | 5% | 0.05 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 127.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | N141 T144 I145 E169 A171 | N141-A161 PolarHBondContact ND2-O 3.17Å; T144-A161 CarbonylContact C-O 3.58Å; T144-A161 WeakPolarHBondContact CA-O 3.34Å; I145-A161 HydrophobicContact CD1-CB 4.15Å; I145-A161 HydrophobicContact CG1-CB 3.81Å; I145-A161 WeakPolarHBondContact CG1-O 3.31Å; I145-A161 PolarHBondContact N-O 2.96Å; I145-A161 PolarHBondContact O-N 2.82Å; I145-A161 VanDerWaalsContact O-N 3.14Å; A161-E169 HydrophobicContact CB-CB 3.82Å; A161-A171 HydrophobicContact CB-CB 3.93Å |
| 162 | G | 84.3 | Confident | 88 | Confident | 33 Ų | 33 | 71 Ų | 71 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | trans | 175.3 | 104.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N141 E169 | N141-G162 WeakPolarHBondContact ND2-CA 3.3Å; G162-E169 VanDerWaalsContact C-OE1 3.26Å; G162-E169 VanDerWaalsContact C-OE2 3.26Å; G162-E169 WeakPolarHBondContact CA-OE2 3.38Å; G162-E169 VanDerWaalsContact N-CD 3.32Å; G162-E169 PolarHBondContact N-OE1 2.79Å; G162-E169 PolarHBondContact N-OE2 3.37Å | ||
| 163 | D | 70 | Confident | 88 | Confident | 76 Ų | 76 | 70 Ų | 70 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | trans | -111.2 | 153 | 160.5 | -155.4 | -13.4 | 0 | 0 | 0 | 109.8 | D165 E169 | D163-D165 VanDerWaalsContact C-N 3.25Å; D163-E169 PolarHBondContact N-OE1 2.85Å; D163-E169 PolarHBondContact N-OE2 2.9Å | ||
| 164 | Q | 64.9 | Low | 88 | Confident | 183 Ų | 183 | 70.6 Ų | 70.6 | 86% | 0.855 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -73.8 | -24 | 178.2 | -63.3 | -173.9 | 9.6 | 0 | 0 | 111.5 | ||
| 165 | D | 67.4 | Low | 87.9 | Confident | 111 Ų | 111 | 65.1 Ų | 65.1 | 59% | 0.594 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -82.8 | 146.5 | 174.5 | -66.2 | -36 | 0 | 0 | 0 | 111 | D163 T167 | D163-D165 VanDerWaalsContact C-N 3.25Å; D165-T167 HydrophobicContact CB-CG2 4.19Å; D165-T167 PolarHBondContact O-N 2.97Å; D165-T167 PolarHBondContact O-OG1 2.98Å |
| 166 | V | 64.8 | Low | 87.8 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -70.3 | 82.3 | -178 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | Y140 R142 | Y140-V166 HydrophobicContact CD1-CG1 3.94Å; R142-V166 HydrophobicContact CG-CG2 4.43Å |
| 167 | T | 71.7 | Confident | 87.9 | Confident | 50 Ų | 50 | 64.5 Ų | 64.5 | 31% | 0.307 | 36% | 0.356 | S | S | . | . | trans | -114.1 | 160.3 | -179.6 | 62.9 | 0 | 0 | 0 | 0 | 111 | D165 E169 | D165-T167 HydrophobicContact CB-CG2 4.19Å; D165-T167 PolarHBondContact O-N 2.97Å; D165-T167 PolarHBondContact O-OG1 2.98Å; T167-E169 WeakPolarHBondContact OG1-CG 3.16Å | ||
| 168 | R | 81.3 | Confident | 87.9 | Confident | 195 Ų | 195 | 66.6 Ų | 66.6 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | trans | -87.6 | 117 | 170.6 | -64.2 | -176.3 | 176.6 | 162.9 | -1.7 | 107.5 | V139 | V139-R168 HydrophobicContact CB-CG 4.44Å; V139-R168 HydrophobicContact CG1-CG 4.13Å; V139-R168 HydrophobicContact CG2-CG 4.42Å | ||
| 169 | E | 89.8 | Confident | 87.9 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 19% | 0.192 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.3 | -177.9 | -61.3 | -176.7 | 108.6 | 0 | 0 | 111.4 | V137 K138 N141 A161 G162 D163 T167 | V137-E169 WeakPolarHBondContact CA-O 3.41Å; K138-E169 PolarHBondContact N-O 2.8Å; K138-E169 PolarHBondContact O-N 2.88Å; N141-E169 PolarHBondContact ND2-OE2 2.81Å; A161-E169 HydrophobicContact CB-CB 3.82Å; G162-E169 VanDerWaalsContact C-OE1 3.26Å; G162-E169 VanDerWaalsContact C-OE2 3.26Å; G162-E169 WeakPolarHBondContact CA-OE2 3.38Å; G162-E169 VanDerWaalsContact N-CD 3.32Å; G162-E169 PolarHBondContact N-OE1 2.79Å; G162-E169 PolarHBondContact N-OE2 3.37Å; D163-E169 PolarHBondContact N-OE1 2.85Å; D163-E169 PolarHBondContact N-OE2 2.9Å; T167-E169 WeakPolarHBondContact OG1-CG 3.16Å |
| 170 | A | 92.7 | Very high | 87.9 | Confident | 47 Ų | 47 | 68.5 Ų | 68.5 | 39% | 0.388 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V136 V137 T172 | V136-A170 CarbonylContact O-C 3.45Å; V136-A170 VanDerWaalsContact O-CA 3.3Å; V136-A170 WeakPolarHBondContact O-CA 3.48Å; V137-A170 HydrophobicContact CG2-CB 4.15Å; A170-T172 PolarHBondContact O-N 3.36Å |
| 171 | A | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 103.6 | 168 | 0 | 0 | 0 | 0 | 0 | 107.7 | V136 I145 V147 A159 A161 | V136-A171 HydrophobicContact CB-CB 4.46Å; V136-A171 PolarHBondContact N-O 3.16Å; V136-A171 PolarHBondContact O-N 2.83Å; I145-A171 HydrophobicContact CD1-CB 4.25Å; V147-A171 HydrophobicContact CB-CB 4.19Å; V147-A171 HydrophobicContact CG2-CB 3.94Å; A159-A171 HydrophobicContact CB-CB 3.85Å; A161-A171 HydrophobicContact CB-CB 3.93Å |
| 172 | T | 97.6 | Very high | 88.4 | Confident | 66 Ų | 66 | 73.9 Ų | 73.9 | 41% | 0.405 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130.8 | -174 | -61.4 | 0 | 0 | 0 | 0 | 111 | F134 H135 A170 | F134-T172 WeakPolarHBondContact O-CA 3.34Å; H135-T172 WeakPolarHBondContact CE1-CG2 3.37Å; H135-T172 WeakPolarHBondContact ND1-CG2 2.92Å; H135-T172 PolarHBondContact ND1-OG1 3.46Å; A170-T172 PolarHBondContact O-N 3.36Å |
| 173 | N | 98.2 | Very high | 89 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 163.4 | 166.1 | -153.6 | -17.5 | 0 | 0 | 0 | 110.7 | F134 I157 S158 A159 | F134-N173 WeakPolarHBondContact CD1-O 3.19Å; F134-N173 HydrophobicContact CE1-CB 3.8Å; F134-N173 HydrophobicContact CE2-CB 4.35Å; F134-N173 HydrophobicContact CZ-CB 3.61Å; F134-N173 PolarHBondContact N-O 3.42Å; F134-N173 PolarHBondContact O-N 2.66Å; I157-N173 HydrophobicContact CD1-CB 4.24Å; S158-N173 PolarHBondContact O-ND2 3.2Å; A159-N173 HydrophobicContact CB-CB 4.04Å |
| 174 | A | 96.7 | Very high | 90.4 | Very high | 53 Ų | 53 | 75.3 Ų | 75.3 | 44% | 0.438 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 151.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.7 | F132 C133 | F132-A174 CarbonylContact O-C 3.54Å; F132-A174 WeakPolarHBondContact O-CA 3.22Å; F132-A174 WeakPolarHBondContact O-CB 3.13Å; C133-A174 HydrophobicContact CB-CB 4.03Å |
| 175 | G | 94.3 | Very high | 92 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 22% | 0.216 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 166.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | F132 | F132-G175 PolarHBondContact N-O 3.29Å; F132-G175 PolarHBondContact O-N 2.81Å |
| 176 | L | 96.6 | Very high | 93.5 | Very high | 108 Ų | 108 | 63.4 Ų | 63.4 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.6 | 170.6 | -66.2 | 171.1 | 0 | 0 | 0 | 108.8 | V129 F130 V208 | V129-L176 HydrophobicContact CG1-CB 4.24Å; V129-L176 HydrophobicContact CG1-CD2 4.27Å; F130-L176 CarbonylContact O-C 3.52Å; F130-L176 VanDerWaalsContact O-CA 3.31Å; F130-L176 WeakPolarHBondContact O-CA 3.25Å; L176-V208 HydrophobicContact CD2-CG2 3.78Å |
| 177 | V | 97.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.4 | 178.1 | -62.1 | 0 | 0 | 0 | 0 | 110.5 | V129 F130 F132 V156 M179 | V129-V177 WeakPolarHBondContact CA-O 3.39Å; F130-V177 HydrophobicContact CB-CG2 4.42Å; F130-V177 PolarHBondContact N-O 2.92Å; F130-V177 PolarHBondContact O-N 3.34Å; F132-V177 HydrophobicContact CD2-CG2 3.7Å; F132-V177 HydrophobicContact CE2-CG2 3.49Å; F132-V177 VanDerWaalsContact CE2-CG2 3.49Å; V156-V177 HydrophobicContact CG1-CG1 3.76Å; V177-M179 HydrophobicContact CG2-CG 3.96Å; V177-M179 HydrophobicContact CG2-SD 4.21Å |
| 178 | T | 98.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 59.6 Ų | 59.6 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.8 | 167.1 | -55.4 | 0 | 0 | 0 | 0 | 108.5 | G128 L211 | G128-T178 WeakPolarHBondContact O-CA 3.24Å; T178-L211 HydrophobicContact CG2-CD1 3.89Å |
| 179 | M | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 145.4 | 175.6 | -61.6 | 178.5 | 71.6 | 0 | 0 | 109.9 | F122 A124 K127 G128 F130 F132 L151 V177 D183 A185 | F122-M179 HydrophobicContact CD1-CE 4.16Å; F122-M179 HydrophobicContact CD1-SD 4.39Å; F122-M179 HydrophobicContact CE1-CE 4.33Å; F122-M179 HydrophobicContact CE1-SD 4.23Å; A124-M179 HydrophobicContact CB-CB 3.78Å; A124-M179 HydrophobicContact CB-CE 3.71Å; A124-M179 HydrophobicContact CB-SD 4.19Å; K127-M179 VanDerWaalsContact CA-O 3.26Å; K127-M179 WeakPolarHBondContact CA-O 3.42Å; G128-M179 PolarHBondContact N-O 2.89Å; G128-M179 VanDerWaalsContact N-O 3.09Å; G128-M179 PolarHBondContact O-N 3.44Å; F130-M179 HydrophobicContact CB-SD 4.16Å; F130-M179 HydrophobicContact CD2-CB 3.74Å; F130-M179 HydrophobicContact CD2-CG 3.9Å; F130-M179 HydrophobicContact CD2-SD 3.87Å; F130-M179 HydrophobicContact CE2-CB 3.86Å; F130-M179 HydrophobicContact CE2-CG 4.48Å; F130-M179 HydrophobicContact CE2-SD 4.46Å; F130-M179 HydrophobicContact CG-SD 4Å; F132-M179 HydrophobicContact CE2-SD 3.63Å; F132-M179 HydrophobicContact CZ-SD 3.63Å; L151-M179 HydrophobicContact CD1-CE 3.57Å; L151-M179 HydrophobicContact CD1-CG 3.94Å; L151-M179 HydrophobicContact CD1-SD 4.21Å; V177-M179 HydrophobicContact CG2-CG 3.96Å; V177-M179 HydrophobicContact CG2-SD 4.21Å; M179-D183 WeakPolarHBondContact CA-OD2 3.4Å; M179-D183 HydrophobicContact CB-CB 4.06Å; M179-D183 HydrophobicContact CE-CB 3.65Å; M179-D183 WeakPolarHBondContact CE-O 3.29Å; M179-D183 HydrophobicContact CG-CB 4.49Å; M179-A185 HydrophobicContact CE-CB 3.85Å; M179-A185 HydrophobicContact SD-CB 4.33Å |
| 180 | E | 98.4 | Very high | 97.4 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | trans | -90.5 | 164.4 | 168.6 | -66.3 | -63.9 | 162 | 0 | 0 | 111 | A124 K127 G182 D183 | A124-E180 VanDerWaalsContact CB-O 3.31Å; A124-E180 WeakPolarHBondContact CB-O 3.17Å; K127-E180 VanDerWaalsContact CE-OE1 3.31Å; K127-E180 WeakPolarHBondContact CE-OE1 3.43Å; K127-E180 WeakPolarHBondContact CG-OE2 3.32Å; K127-E180 IonicContact NZ-OE1 3.51Å; K127-E180 PolarHBondContact NZ-OE1 2.89Å; K127-E180 IonicContact NZ-OE2 2.84Å; E180-G182 PolarHBondContact O-N 2.98Å; E180-D183 PolarHBondContact N-OD2 2.93Å; E180-D183 WeakPolarHBondContact O-CB 3.42Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-D183 VanDerWaalsContact O-N 3.13Å | ||
| 181 | R | 97.8 | Very high | 97.4 | Very high | 206 Ų | 206 | 57.4 Ų | 57.4 | 78% | 0.777 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 125.5 | 174.7 | 178.6 | 173.1 | 175.9 | -172 | -0.3 | 110.2 | A124 P125 | A124-R181 WeakPolarHBondContact O-CA 3.45Å; P125-R181 WeakPolarHBondContact O-CD 3.21Å; P125-R181 WeakPolarHBondContact O-CG 3.22Å |
| 182 | G | 98.3 | Very high | 97.2 | Very high | 38 Ų | 38 | 58.4 Ų | 58.4 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.8 | -8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | A124 E180 | A124-G182 PolarHBondContact O-N 2.92Å; E180-G182 PolarHBondContact O-N 2.98Å |
| 183 | D | 98.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.16 | 30% | 0.296 | C | S | . | . | trans | -61.4 | 143.6 | 173.6 | -78.5 | -8.1 | 0 | 0 | 0 | 111.2 | V123 A124 L151 N152 M179 E180 | V123-D183 CarbonylContact C-O 3.57Å; V123-D183 WeakPolarHBondContact CA-O 3.35Å; A124-D183 HydrophobicContact CB-CB 4.4Å; A124-D183 PolarHBondContact N-O 2.66Å; L151-D183 HydrophobicContact CD1-CB 4.06Å; N152-D183 PolarHBondContact ND2-OD1 3.24Å; N152-D183 WeakPolarHBondContact OD1-CA 3.36Å; M179-D183 WeakPolarHBondContact CA-OD2 3.4Å; M179-D183 HydrophobicContact CB-CB 4.06Å; M179-D183 HydrophobicContact CE-CB 3.65Å; M179-D183 WeakPolarHBondContact CE-O 3.29Å; M179-D183 HydrophobicContact CG-CB 4.49Å; E180-D183 PolarHBondContact N-OD2 2.93Å; E180-D183 WeakPolarHBondContact O-CB 3.42Å; E180-D183 PolarHBondContact O-N 3.49Å; E180-D183 VanDerWaalsContact O-N 3.13Å | ||
| 184 | K | 98.7 | Very high | 96.4 | Very high | 108 Ų | 108 | 55.4 Ų | 55.4 | 47% | 0.47 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.5 | -174.3 | -62.2 | 179.8 | -175.8 | 172 | 0 | 110.7 | I121 F122 V123 L151 N152 | I121-K184 HydrophobicContact CG2-CB 3.88Å; I121-K184 HydrophobicContact CG2-CD 4.44Å; I121-K184 HydrophobicContact CG2-CG 4.18Å; F122-K184 CarbonylContact O-C 3.57Å; F122-K184 WeakPolarHBondContact O-CA 3.46Å; V123-K184 HydrophobicContact CG2-CG 4.35Å; L151-K184 WeakPolarHBondContact CA-O 3.18Å; N152-K184 PolarHBondContact N-O 3.21Å; N152-K184 PolarHBondContact OD1-N 2.77Å |
| 185 | A | 98.8 | Very high | 96 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F122 F132 L149 V150 M179 | F122-A185 HydrophobicContact CB-CB 4.38Å; F122-A185 HydrophobicContact CD1-CB 4.34Å; F122-A185 PolarHBondContact N-O 3.17Å; F122-A185 PolarHBondContact O-N 2.88Å; F132-A185 HydrophobicContact CE1-CB 3.8Å; F132-A185 HydrophobicContact CE2-CB 4.14Å; F132-A185 HydrophobicContact CZ-CB 3.53Å; L149-A185 HydrophobicContact CD1-CB 4.45Å; V150-A185 VanDerWaalsContact O-CA 3.31Å; V150-A185 WeakPolarHBondContact O-CA 3.29Å; M179-A185 HydrophobicContact CE-CB 3.85Å; M179-A185 HydrophobicContact SD-CB 4.33Å |
| 186 | Y | 98.6 | Very high | 95.6 | Very high | 42 Ų | 42 | 57.9 Ų | 57.9 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 167 | 177.7 | 58.6 | -84.4 | 0 | 0 | 0 | 111.1 | T101 I121 V150 K188 | T101-Y186 HydrophobicContact CG2-CD2 4.16Å; I121-Y186 HydrophobicContact CG1-CD1 4.26Å; I121-Y186 HydrophobicContact CG1-CG 4.23Å; V150-Y186 HydrophobicContact CB-CD2 4.25Å; V150-Y186 HydrophobicContact CB-CE1 4.25Å; V150-Y186 HydrophobicContact CB-CE2 3.91Å; V150-Y186 HydrophobicContact CG1-CE1 3.9Å; V150-Y186 HydrophobicContact CG1-CE2 3.97Å; V150-Y186 WeakPolarHBondContact CG1-OH 3.41Å; V150-Y186 HydrophobicContact CG2-CE2 4.37Å; V150-Y186 PolarHBondContact N-O 3.21Å; V150-Y186 PolarHBondContact O-N 2.79Å; V150-Y186 VanDerWaalsContact O-N 3.07Å; Y186-K188 HydrophobicContact CE2-CB 4.26Å |
| 187 | L | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.7 | 175.1 | -57.6 | -175.9 | 0 | 0 | 0 | 110.7 | I102 F104 F134 V136 V147 S148 L149 F203 | I102-L187 HydrophobicContact CB-CB 4.15Å; I102-L187 HydrophobicContact CD1-CB 4.22Å; I102-L187 HydrophobicContact CG1-CB 4.38Å; I102-L187 PolarHBondContact N-O 3.23Å; F104-L187 HydrophobicContact CE2-CD1 4.04Å; F104-L187 HydrophobicContact CZ-CD1 3.83Å; F134-L187 HydrophobicContact CB-CD1 3.51Å; F134-L187 HydrophobicContact CB-CD2 4.05Å; F134-L187 HydrophobicContact CB-CG 4.41Å; F134-L187 HydrophobicContact CD1-CD2 3.7Å; F134-L187 HydrophobicContact CD2-CD1 4.21Å; F134-L187 HydrophobicContact CD2-CD2 4.4Å; F134-L187 HydrophobicContact CE1-CD2 4.21Å; F134-L187 HydrophobicContact CG-CD1 3.9Å; F134-L187 HydrophobicContact CG-CD2 3.8Å; V136-L187 HydrophobicContact CG2-CD1 4.13Å; V147-L187 HydrophobicContact CG1-CB 4.36Å; S148-L187 WeakPolarHBondContact O-CA 3.43Å; L149-L187 HydrophobicContact CB-CD2 4.19Å; L149-L187 HydrophobicContact CD1-CD2 3.97Å; L187-F203 HydrophobicContact CD1-CB 3.98Å; L187-F203 HydrophobicContact CD1-CD1 4.35Å; L187-F203 HydrophobicContact CD1-CD2 4Å; L187-F203 HydrophobicContact CD1-CG 3.87Å; L187-F203 HydrophobicContact CD2-CD2 4.16Å; L187-F203 HydrophobicContact CD2-CE2 3.96Å; L187-F203 HydrophobicContact CD2-CZ 4.28Å; L187-F203 HydrophobicContact CG-CD1 4.12Å; L187-F203 HydrophobicContact CG-CD2 4.03Å; L187-F203 HydrophobicContact CG-CE1 4.23Å; L187-F203 HydrophobicContact CG-CE2 4.15Å; L187-F203 HydrophobicContact CG-CG 4.03Å; L187-F203 HydrophobicContact CG-CZ 4.25Å |
| 188 | K | 98 | Very high | 95.2 | Very high | 54 Ų | 54 | 52 Ų | 52 | 24% | 0.235 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 137.3 | 176.5 | -172.4 | 170.4 | 163.8 | -123.1 | 0 | 110.4 | M100 V147 S148 V150 Y186 E190 | M100-K188 HydrophobicContact CB-CG 4.1Å; M100-K188 CarbonylContact O-C 3.58Å; M100-K188 WeakPolarHBondContact O-CA 3.33Å; V147-K188 WeakPolarHBondContact CA-O 3.27Å; S148-K188 PolarHBondContact N-O 3.23Å; S148-K188 PolarHBondContact O-N 3.14Å; V150-K188 HydrophobicContact CG2-CB 3.59Å; V150-K188 HydrophobicContact CG2-CD 4.35Å; Y186-K188 HydrophobicContact CE2-CB 4.26Å; K188-E190 WeakPolarHBondContact CD-OE1 2.98Å; K188-E190 IonicContact NZ-OE1 3.93Å; K188-E190 PolarHBondContact NZ-OE1 2.81Å; K188-E190 IonicContact NZ-OE2 2.84Å; K188-E190 PolarHBondContact NZ-OE2 2.74Å; K188-E190 PolarHBondContact O-N 2.89Å |
| 189 | L | 96.9 | Very high | 95 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 98.5 | 169.8 | -173 | 71.8 | 0 | 0 | 0 | 108.5 | M100 I102 I145 Q146 V147 R191 L194 | M100-L189 HydrophobicContact CB-CB 4.4Å; M100-L189 WeakPolarHBondContact CB-O 3.3Å; M100-L189 PolarHBondContact O-N 2.88Å; I102-L189 HydrophobicContact CD1-CB 4.45Å; I102-L189 HydrophobicContact CG1-CB 4.34Å; I145-L189 HydrophobicContact CB-CD1 3.97Å; I145-L189 HydrophobicContact CG2-CD1 4.23Å; Q146-L189 CarbonylContact O-C 3.55Å; V147-L189 HydrophobicContact CG2-CD1 4.19Å; L189-R191 WeakPolarHBondContact CD1-O 3.1Å; L189-L194 HydrophobicContact CD1-CD2 4.4Å; L189-L194 HydrophobicContact CD1-CG 4.41Å; L189-L194 HydrophobicContact CD2-CG 3.99Å |
| 190 | E | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -27.7 | -179.4 | -67.6 | -63.8 | 165.8 | 0 | 0 | 112.2 | Q146 S148 K188 | Q146-E190 HydrophobicContact CB-CB 4.37Å; Q146-E190 HydrophobicContact CG-CB 4.11Å; Q146-E190 PolarHBondContact O-N 3.47Å; S148-E190 WeakPolarHBondContact OG-CG 3.36Å; K188-E190 WeakPolarHBondContact CD-OE1 2.98Å; K188-E190 IonicContact NZ-OE1 3.93Å; K188-E190 PolarHBondContact NZ-OE1 2.81Å; K188-E190 IonicContact NZ-OE2 2.84Å; K188-E190 PolarHBondContact NZ-OE2 2.74Å; K188-E190 PolarHBondContact O-N 2.89Å |
| 191 | R | 93.3 | Very high | 94.9 | Very high | 155 Ų | 155 | 53.5 Ų | 53.5 | 59% | 0.585 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 145.5 | 178.7 | -167.3 | 177.1 | 178.2 | -175.6 | -1.8 | 111.2 | I145 Q146 L189 | I145-R191 VanDerWaalsContact CA-O 3.29Å; I145-R191 WeakPolarHBondContact CA-O 3.18Å; Q146-R191 HydrophobicContact CB-CB 3.69Å; Q146-R191 PolarHBondContact N-O 3.04Å; Q146-R191 PolarHBondContact O-N 3.21Å; L189-R191 WeakPolarHBondContact CD1-O 3.1Å |
| 192 | G | 91.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 91 | -158.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 193 | N | 89.7 | Confident | 94.9 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 28% | 0.278 | 21% | 0.209 | S | C | . | . | trans | -144.2 | 160.1 | 176.5 | 66 | 69.7 | 0 | 0 | 0 | 110.1 | K138 Q143 M195 | K138-N193 WeakPolarHBondContact CE-O 3.45Å; K138-N193 PolarHBondContact NZ-O 3.3Å; Q143-N193 PolarHBondContact OE1-ND2 2.98Å; N193-M195 HydrophobicContact CB-CG 4.12Å; N193-M195 WeakPolarHBondContact OD1-CB 3.5Å; N193-M195 VanDerWaalsContact OD1-CG 3.22Å; N193-M195 WeakPolarHBondContact OD1-CG 3.1Å; N193-M195 PolarHBondContact OD1-N 2.95Å | ||
| 194 | L | 89.9 | Confident | 94.9 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | trans | -105.7 | 33.3 | 173.9 | -61.3 | 173.9 | 0 | 0 | 0 | 111.5 | P92 I102 V136 I145 L189 G197 W198 | P92-L194 HydrophobicContact CG-CB 4.18Å; I102-L194 HydrophobicContact CD1-CD1 4.34Å; I102-L194 HydrophobicContact CG1-CD1 4.09Å; I102-L194 HydrophobicContact CG2-CD1 4.18Å; V136-L194 HydrophobicContact CG1-CD2 4.13Å; I145-L194 HydrophobicContact CD1-CD2 4.3Å; L189-L194 HydrophobicContact CD1-CD2 4.4Å; L189-L194 HydrophobicContact CD1-CG 4.41Å; L189-L194 HydrophobicContact CD2-CG 3.99Å; L194-G197 PolarHBondContact O-N 3.06Å; L194-G197 VanDerWaalsContact O-N 3.1Å; L194-W198 HydrophobicContact CB-CD2 4.26Å; L194-W198 HydrophobicContact CB-CE3 3.58Å; L194-W198 HydrophobicContact CB-CZ3 4.1Å; L194-W198 HydrophobicContact CD1-CB 4.42Å; L194-W198 HydrophobicContact CD1-CD2 3.81Å; L194-W198 HydrophobicContact CD1-CE3 3.91Å; L194-W198 HydrophobicContact CD1-CG 4.06Å; L194-W198 HydrophobicContact CD1-CZ3 4.48Å; L194-W198 HydrophobicContact CD2-CB 4.25Å; L194-W198 HydrophobicContact CG-CE3 4.33Å | ||
| 195 | M | 87.7 | Confident | 94.9 | Very high | 99 Ų | 99 | 39.1 Ų | 39.1 | 49% | 0.488 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 140.5 | 174.2 | -63.4 | -63.8 | -57.9 | 0 | 0 | 110.1 | E91 N193 G197 | E91-M195 WeakPolarHBondContact OE2-CA 3.32Å; E91-M195 WeakPolarHBondContact OE2-CE 3.26Å; N193-M195 HydrophobicContact CB-CG 4.12Å; N193-M195 WeakPolarHBondContact OD1-CB 3.5Å; N193-M195 VanDerWaalsContact OD1-CG 3.22Å; N193-M195 WeakPolarHBondContact OD1-CG 3.1Å; N193-M195 PolarHBondContact OD1-N 2.95Å; M195-G197 VanDerWaalsContact C-N 3.29Å |
| 196 | G | 86.6 | Confident | 94.8 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 2.5 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | E91 | E91-G196 WeakPolarHBondContact OE1-CA 3.48Å; E91-G196 PolarHBondContact OE1-N 2.94Å; E91-G196 PolarHBondContact OE2-N 2.84Å |
| 197 | G | 90.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | 81.6 | 166.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L194 M195 | L194-G197 PolarHBondContact O-N 3.06Å; L194-G197 VanDerWaalsContact O-N 3.1Å; M195-G197 VanDerWaalsContact C-N 3.29Å | ||
| 198 | W | 94.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | trans | -131.1 | 38.3 | -177.3 | 62.2 | 101.5 | 0 | 0 | 0 | 112.1 | R86 H90 P92 Y103 V137 L194 S201 | R86-W198 WeakPolarHBondContact CB-O 3.5Å; R86-W198 VanDerWaalsContact CD-NE1 3.3Å; R86-W198 HydrophobicContact CG-CD2 4.29Å; R86-W198 HydrophobicContact CG-CG 4.01Å; R86-W198 WeakPolarHBondContact CG-O 3.44Å; H90-W198 WeakPolarHBondContact O-CZ3 3.35Å; P92-W198 HydrophobicContact CB-CH2 4.31Å; P92-W198 HydrophobicContact CB-CZ3 4.21Å; P92-W198 HydrophobicContact CG-CH2 4.29Å; P92-W198 HydrophobicContact CG-CZ3 3.7Å; Y103-W198 PolarHBondContact O-NE1 2.84Å; V137-W198 CarbonylContact O-C 3.57Å; V137-W198 WeakPolarHBondContact O-CA 3.35Å; V137-W198 VanDerWaalsContact O-CB 3.31Å; V137-W198 WeakPolarHBondContact O-CB 3.41Å; L194-W198 HydrophobicContact CB-CD2 4.26Å; L194-W198 HydrophobicContact CB-CE3 3.58Å; L194-W198 HydrophobicContact CB-CZ3 4.1Å; L194-W198 HydrophobicContact CD1-CB 4.42Å; L194-W198 HydrophobicContact CD1-CD2 3.81Å; L194-W198 HydrophobicContact CD1-CE3 3.91Å; L194-W198 HydrophobicContact CD1-CG 4.06Å; L194-W198 HydrophobicContact CD1-CZ3 4.48Å; L194-W198 HydrophobicContact CD2-CB 4.25Å; L194-W198 HydrophobicContact CG-CE3 4.33Å; W198-S201 VanDerWaalsContact O-CB 3.22Å; W198-S201 WeakPolarHBondContact O-CB 3.26Å; W198-S201 PolarHBondContact O-N 3.18Å; W198-S201 PolarHBondContact O-OG 2.87Å | ||
| 199 | K | 94.9 | Very high | 94 | Very high | 49 Ų | 49 | 44.5 Ų | 44.5 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 148.9 | 176.5 | -173.7 | 172.3 | 179.4 | 166.6 | 0 | 110.8 | R86 N87 N89 S201 | R86-K199 WeakPolarHBondContact O-CA 3.31Å; N87-K199 WeakPolarHBondContact O-CD 3.39Å; N87-K199 WeakPolarHBondContact O-CE 3.41Å; N87-K199 PolarHBondContact O-NZ 2.68Å; N89-K199 WeakPolarHBondContact OD1-CB 3.41Å; K199-S201 PolarHBondContact O-N 2.8Å |
| 200 | Y | 95.5 | Very high | 93.7 | Very high | 149 Ų | 149 | 46.5 Ų | 46.5 | 58% | 0.584 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | -3.8 | -175 | -45.5 | -69.7 | 0 | 0 | 0 | 114.9 | R86 | R86-Y200 PolarHBondContact O-N 3.04Š|
| 201 | S | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -62.6 | 144.3 | 171.8 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | V85 R86 H135 V136 V137 W198 K199 | V85-S201 CarbonylContact C-O 3.49Å; V85-S201 VanDerWaalsContact CA-O 3.29Å; V85-S201 WeakPolarHBondContact CA-O 3.33Å; R86-S201 PolarHBondContact N-O 2.78Å; H135-S201 CarbonylContact O-C 3.54Å; H135-S201 WeakPolarHBondContact O-CA 3.44Å; H135-S201 WeakPolarHBondContact O-CB 3.3Å; V136-S201 WeakPolarHBondContact CA-OG 3.19Å; V137-S201 PolarHBondContact N-OG 2.84Å; V137-S201 PolarHBondContact O-OG 3.12Å; W198-S201 VanDerWaalsContact O-CB 3.22Å; W198-S201 WeakPolarHBondContact O-CB 3.26Å; W198-S201 PolarHBondContact O-N 3.18Å; W198-S201 PolarHBondContact O-OG 2.87Å; K199-S201 PolarHBondContact O-N 2.8Å | ||
| 202 | T | 98.6 | Very high | 93.4 | Very high | 41 Ų | 41 | 43.9 Ų | 43.9 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 146 | 179.6 | 67.8 | 0 | 0 | 0 | 0 | 111 | A84 V85 F134 H135 | A84-T202 WeakPolarHBondContact O-CA 3.4Å; V85-T202 HydrophobicContact CG1-CG2 3.91Å; F134-T202 WeakPolarHBondContact CA-O 3.37Å; H135-T202 PolarHBondContact CD2-OG1 2.82Å; H135-T202 VanDerWaalsContact CD2-OG1 3.29Å; H135-T202 PolarHBondContact N-O 2.71Å; H135-T202 PolarHBondContact O-N 2.78Å |
| 203 | F | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 123.3 | 168.9 | 179.9 | -146.2 | 0 | 0 | 0 | 109.1 | F82 A84 F104 F115 F132 F134 L149 L187 | F82-F203 AromaticContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD1 3.72Å; F82-F203 HydrophobicContact CE2-CD2 4.29Å; F82-F203 AromaticContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE1 3.82Å; F82-F203 HydrophobicContact CE2-CE2 4.38Å; F82-F203 AromaticContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CG 3.97Å; F82-F203 HydrophobicContact CE2-CZ 4.16Å; F82-F203 HydrophobicContact CZ-CD1 4.14Å; F82-F203 HydrophobicContact CZ-CD2 4.25Å; F82-F203 AromaticContact CZ-CE1 3.81Å; F82-F203 HydrophobicContact CZ-CE1 3.81Å; F82-F203 AromaticContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CE2 3.94Å; F82-F203 HydrophobicContact CZ-CG 4.35Å; F82-F203 AromaticContact CZ-CZ 3.7Å; F82-F203 HydrophobicContact CZ-CZ 3.7Å; A84-F203 PolarHBondContact N-O 2.69Å; A84-F203 PolarHBondContact O-N 3.16Å; F104-F203 HydrophobicContact CD1-CB 4.39Å; F104-F203 HydrophobicContact CD2-CB 4.13Å; F104-F203 HydrophobicContact CD2-CD1 4.48Å; F104-F203 HydrophobicContact CE1-CB 3.87Å; F104-F203 HydrophobicContact CE2-CB 3.58Å; F104-F203 HydrophobicContact CE2-CD1 4.12Å; F104-F203 HydrophobicContact CE2-CG 4.24Å; F104-F203 HydrophobicContact CZ-CB 3.44Å; F104-F203 VanDerWaalsContact CZ-CB 3.44Å; F104-F203 HydrophobicContact CZ-CG 4.45Å; F115-F203 AromaticContact CE2-CD1 3.9Å; F115-F203 HydrophobicContact CE2-CD1 3.9Å; F115-F203 AromaticContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CE2-CE1 3.96Å; F115-F203 HydrophobicContact CZ-CD1 4.4Å; F132-F203 HydrophobicContact CB-CE2 4.41Å; F132-F203 AromaticContact CD1-CE2 3.78Å; F132-F203 HydrophobicContact CD1-CE2 3.78Å; F132-F203 AromaticContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CD1-CZ 3.94Å; F132-F203 HydrophobicContact CE1-CZ 4.33Å; F132-F203 HydrophobicContact CG-CE2 4.49Å; F134-F203 HydrophobicContact CB-CD2 4.05Å; L149-F203 HydrophobicContact CD1-CE2 4.05Å; L149-F203 HydrophobicContact CD1-CZ 4.01Å; L187-F203 HydrophobicContact CD1-CB 3.98Å; L187-F203 HydrophobicContact CD1-CD1 4.35Å; L187-F203 HydrophobicContact CD1-CD2 4Å; L187-F203 HydrophobicContact CD1-CG 3.87Å; L187-F203 HydrophobicContact CD2-CD2 4.16Å; L187-F203 HydrophobicContact CD2-CE2 3.96Å; L187-F203 HydrophobicContact CD2-CZ 4.28Å; L187-F203 HydrophobicContact CG-CD1 4.12Å; L187-F203 HydrophobicContact CG-CD2 4.03Å; L187-F203 HydrophobicContact CG-CE1 4.23Å; L187-F203 HydrophobicContact CG-CE2 4.15Å; L187-F203 HydrophobicContact CG-CG 4.03Å; L187-F203 HydrophobicContact CG-CZ 4.25Å |
| 204 | S | 98.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.2 | -178.1 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | F82 F132 C133 | F82-S204 WeakPolarHBondContact O-CA 3.34Å; F82-S204 WeakPolarHBondContact O-CB 3.38Å; F132-S204 WeakPolarHBondContact CA-O 3.32Å; C133-S204 PolarHBondContact N-O 3.43Å; C133-S204 PolarHBondContact O-N 3.5Å |
| 205 | G | 97.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | 162.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A81 F82 S131 | A81-G205 CarbonylContact C-O 3.51Å; A81-G205 WeakPolarHBondContact CA-O 3.36Å; F82-G205 WeakPolarHBondContact CD1-O 3.37Å; F82-G205 PolarHBondContact N-O 3.37Å; F82-G205 PolarHBondContact O-N 3.47Å; S131-G205 CarbonylContact O-C 3.59Å; S131-G205 WeakPolarHBondContact O-CA 2.96Å |
| 206 | F | 96.9 | Very high | 94.3 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 157.8 | -177 | 61.6 | -84.4 | 0 | 0 | 0 | 111.6 | L53 V55 V80 A81 F130 S131 V208 | L53-F206 HydrophobicContact CD2-CE2 3.65Å; L53-F206 HydrophobicContact CD2-CZ 3.53Å; V55-F206 HydrophobicContact CG2-CE2 4.15Å; V80-F206 CarbonylContact O-C 3.47Å; V80-F206 VanDerWaalsContact O-CA 3.24Å; V80-F206 WeakPolarHBondContact O-CA 3.44Å; V80-F206 VanDerWaalsContact O-CB 3.28Å; V80-F206 WeakPolarHBondContact O-CB 3.34Å; A81-F206 HydrophobicContact CB-CB 3.8Å; F130-F206 WeakPolarHBondContact CA-O 3.19Å; S131-F206 PolarHBondContact N-O 3.46Å; S131-F206 PolarHBondContact O-N 3.32Å; F206-V208 HydrophobicContact CE2-CG2 4.08Å |
| 207 | L | 95.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 44.8 Ų | 44.8 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 122.5 | 172 | 176.4 | 66.2 | 0 | 0 | 0 | 109.1 | V80 R126 F130 F209 | V80-L207 HydrophobicContact CB-CB 3.81Å; V80-L207 HydrophobicContact CG2-CB 4.34Å; V80-L207 HydrophobicContact CG2-CD2 4.28Å; V80-L207 PolarHBondContact O-N 3.38Å; R126-L207 HydrophobicContact CG-CD2 4.47Å; F130-L207 HydrophobicContact CD1-CB 4.08Å; F130-L207 HydrophobicContact CD1-CD1 4.31Å; F130-L207 HydrophobicContact CD2-CD1 4.32Å; F130-L207 HydrophobicContact CE1-CB 3.73Å; F130-L207 HydrophobicContact CE1-CD1 3.88Å; F130-L207 HydrophobicContact CE1-CG 4.38Å; F130-L207 HydrophobicContact CE2-CD1 3.9Å; F130-L207 HydrophobicContact CZ-CB 4.35Å; F130-L207 HydrophobicContact CZ-CD1 3.68Å; L207-F209 WeakPolarHBondContact CD1-O 3.16Å |
| 208 | V | 93.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -53.6 | 174.8 | -170.9 | 0 | 0 | 0 | 0 | 109.7 | L53 V129 L176 F206 | L53-V208 HydrophobicContact CD2-CG1 3.93Å; L53-V208 HydrophobicContact CD2-CG2 3.9Å; V129-V208 WeakPolarHBondContact O-CB 3.44Å; V129-V208 PolarHBondContact O-N 3.2Å; L176-V208 HydrophobicContact CD2-CG2 3.78Å; F206-V208 HydrophobicContact CE2-CG2 4.08Å |
| 209 | F | 88.9 | Confident | 95.2 | Very high | 101 Ų | 101 | 51.5 Ų | 51.5 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 147.1 | 171.9 | 49.5 | -98.6 | 0 | 0 | 0 | 111 | G128 V129 L207 L211 | G128-F209 WeakPolarHBondContact CA-O 3.28Å; V129-F209 HydrophobicContact CB-CD2 4.33Å; V129-F209 HydrophobicContact CB-CE1 4.37Å; V129-F209 HydrophobicContact CB-CE2 3.84Å; V129-F209 HydrophobicContact CB-CZ 3.84Å; V129-F209 HydrophobicContact CG1-CZ 4.35Å; V129-F209 HydrophobicContact CG2-CD2 4.22Å; V129-F209 HydrophobicContact CG2-CE2 3.4Å; V129-F209 VanDerWaalsContact CG2-CE2 3.4Å; V129-F209 HydrophobicContact CG2-CZ 3.62Å; V129-F209 PolarHBondContact N-O 3.13Å; L207-F209 WeakPolarHBondContact CD1-O 3.16Å; F209-L211 HydrophobicContact CD2-CD2 4.21Å; F209-L211 HydrophobicContact CE2-CD2 3.98Å; F209-L211 HydrophobicContact CE2-CG 4.5Å |
| 210 | P | 91.6 | Very high | 95.2 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 155.7 | 172.3 | 32.2 | -35.7 | 0 | 0 | 0 | 111.6 | M71 | M71-P210 HydrophobicContact CE-CB 4.16Å; M71-P210 HydrophobicContact CE-CG 3.83Å |
| 211 | L | 89.3 | Confident | 95.2 | Very high | 126 Ų | 126 | 42.8 Ų | 42.8 | 66% | 0.66 | 23% | 0.23 | S | C | * | . | trans | -118.2 | 0 | 171.8 | -68 | 174.1 | 0 | 0 | 0 | 111.1 | K127 V129 T178 F209 | K127-L211 HydrophobicContact CD-CB 4.01Å; K127-L211 HydrophobicContact CG-CB 4.01Å; K127-L211 PolarHBondContact O-N 3.48Å; V129-L211 HydrophobicContact CG2-CD1 4.15Å; T178-L211 HydrophobicContact CG2-CD1 3.89Å; F209-L211 HydrophobicContact CD2-CD2 4.21Å; F209-L211 HydrophobicContact CE2-CD2 3.98Å; F209-L211 HydrophobicContact CE2-CG 4.5Å |
Retrieved 211 of 211 residues in 1140.4 ms
(Link to these results)