| 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 | 32.7 | Very low | 39 | Very low | 238 Ų | 238 | 136.8 Ų | 136.8 | 100% | 1.172 | 85% | 0.849 | S | S | * | * | 0 | 95.2 | 0 | -71.4 | 164.9 | 172.8 | 0 | 0 | 105.7 | |||||
| 2 | E | 38.8 | Very low | 38.8 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 77% | 0.771 | 85% | 0.848 | S | S | * | * | 83.7 | 103.4 | 110 | -96 | -119 | 86.2 | 0 | 0 | 112.2 | |||||
| 3 | L | 42.9 | Very low | 39.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 83% | 0.832 | 85% | 0.847 | S | S | * | * | 66.5 | 134.5 | 104.3 | -59.5 | -160.9 | 0 | 0 | 0 | 113.1 | |||||
| 4 | G | 37.4 | Very low | 39.1 | Very low | 58 Ų | 58 | 137.4 Ų | 137.4 | 60% | 0.598 | 84% | 0.844 | S | S | * | * | cis | 169.8 | 178.6 | 8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 5 | L | 42.3 | Very low | 39.6 | Very low | 182 Ų | 182 | 136.7 Ų | 136.7 | 95% | 0.953 | 84% | 0.843 | S | S | * | * | trans | 60.4 | 128.1 | 162 | -71.6 | 77.9 | 0 | 0 | 0 | 116.9 | ||||
| 6 | G | 34.5 | Very low | 39.3 | Very low | 83 Ų | 83 | 143.8 Ų | 143.8 | 86% | 0.856 | 85% | 0.849 | S | S | * | * | cis | 117.9 | 125 | 31.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | G | 37.8 | Very low | 40.1 | Very low | 87 Ų | 87 | 141.4 Ų | 141.4 | 90% | 0.897 | 84% | 0.838 | S | S | * | * | trans | 144.1 | 103.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 8 | L | 39.7 | Very low | 40.1 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 86% | 0.864 | 84% | 0.843 | S | S | * | * | trans | -96.4 | 148.9 | -178.4 | -84.8 | 159 | 0 | 0 | 0 | 112.9 | ||||
| 9 | S | 41.1 | Very low | 40.1 | Very low | 109 Ų | 109 | 151.8 Ų | 151.8 | 76% | 0.762 | 85% | 0.846 | S | S | * | * | trans | 68.6 | 123.2 | 139.8 | -58.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 10 | A | 39.9 | Very low | 40.1 | Very low | 92 Ų | 92 | 153.8 Ų | 153.8 | 76% | 0.76 | 85% | 0.848 | S | S | * | * | 173.2 | 109.6 | 114.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 11 | L | 42.2 | Very low | 40.1 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 87% | 0.874 | 85% | 0.85 | S | S | * | * | trans | -112.7 | 115 | 162.6 | -75.3 | 173.1 | 0 | 0 | 0 | 108.6 | ||||
| 12 | S | 36.4 | Very low | 41 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -82.9 | 122.3 | 173.1 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 13 | H | 42.3 | Very low | 41.2 | Very low | 180 Ų | 180 | 148.1 Ų | 148.1 | 83% | 0.833 | 84% | 0.837 | S | S | * | * | trans | -110.7 | 128.9 | 170 | -92.2 | -64.2 | 0 | 0 | 0 | 110.8 | ||||
| 14 | C | 39.2 | Very low | 41 | Very low | 120 Ų | 120 | 144 Ų | 144 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.5 | 178 | -55.6 | 0 | 0 | 0 | 0 | 112.7 | ||
| 15 | P | 46.1 | Very low | 41.5 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 83% | 0.825 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -85 | 141.1 | 170.7 | 32.1 | -30 | 0 | 0 | 0 | 112.2 | ||
| 16 | W | 35.2 | Very low | 41.7 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.943 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 153.8 | 179.8 | -154 | 17.3 | 0 | 0 | 0 | 111.3 | ||
| 17 | P | 52.5 | Low | 42.3 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 67% | 0.669 | 84% | 0.835 | S | S | * | * | trans | -104.2 | 145 | 177.4 | 35 | -23.1 | 0 | 0 | 0 | 112.5 | ||||
| 18 | R | 40.8 | Very low | 43.1 | Very low | 244 Ų | 244 | 150.5 Ų | 150.5 | 92% | 0.921 | 83% | 0.83 | S | S | * | * | trans | -163.1 | 120 | 150.7 | -118.7 | 176.7 | -153.7 | -119.4 | 4.1 | 114.3 | ||||
| 19 | R | 39.2 | Very low | 43.7 | Very low | 237 Ų | 237 | 147 Ų | 147 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | -18 | 126.6 | 160.6 | -54.7 | 175.1 | -175.5 | -153.6 | -1.1 | 114.7 | ||||
| 20 | Q | 41.1 | Very low | 44.7 | Very low | 192 Ų | 192 | 146.3 Ų | 146.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | 55.7 | 108.8 | 64.3 | -67.7 | -173.1 | 18.6 | 0 | 0 | 115.9 | |||||
| 21 | T | 39.6 | Very low | 45.7 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -148.1 | 156.3 | 145.3 | 23.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | P | 52.7 | Low | 46.2 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -109.9 | 149.7 | -143.4 | 38.2 | -29.1 | 0 | 0 | 0 | 113.2 | ||||
| 23 | L | 42.3 | Very low | 47 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 94% | 0.942 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 119.5 | 162.6 | -80.2 | 170.1 | 0 | 0 | 0 | 109.7 | ||||
| 24 | G | 38.6 | Very low | 47.5 | Very low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 84.1 | 101 | 133.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | S26 | G24-S26 PolarHBondContact O-N 3.36Š| ||
| 25 | L | 47.4 | Very low | 48.2 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -30.9 | 124.4 | 150.8 | -93.8 | 63.4 | 0 | 0 | 0 | 112.5 | ||||
| 26 | S | 47.6 | Very low | 48.7 | Very low | 101 Ų | 101 | 142.9 Ų | 142.9 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | -137.6 | 103.2 | 142.5 | 55.6 | 0 | 0 | 0 | 0 | 108.8 | G24 Q28 | G24-S26 PolarHBondContact O-N 3.36Å; S26-Q28 PolarHBondContact O-N 3.38Å | ||
| 27 | A | 47.2 | Very low | 49.6 | Very low | 96 Ų | 96 | 133.9 Ų | 133.9 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 120.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | P29 | A27-P29 WeakPolarHBondContact O-CD 3.43Š|
| 28 | Q | 54.2 | Low | 49.7 | Very low | 167 Ų | 167 | 135.1 Ų | 135.1 | 78% | 0.78 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 121.1 | 168.6 | -66.3 | -71.8 | -47.4 | 0 | 0 | 107.8 | S26 A30 | S26-Q28 PolarHBondContact O-N 3.38Å; Q28-A30 PolarHBondContact O-N 3.32Å |
| 29 | P | 51.8 | Low | 50.5 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 60% | 0.597 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 123.6 | 172.9 | 28.9 | -28.8 | 0 | 0 | 0 | 108.7 | A27 L31 | A27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-L31 VanDerWaalsContact C-N 3.27Å; P29-L31 HydrophobicContact CB-CD1 4.38Å; P29-L31 HydrophobicContact CB-CG 4.36Å; P29-L31 HydrophobicContact CG-CD1 3.92Å; P29-L31 HydrophobicContact CG-CG 4.41Å; P29-L31 PolarHBondContact O-N 2.84Å |
| 30 | A | 62.3 | Low | 51.3 | Low | 94 Ų | 94 | 122 Ų | 122 | 78% | 0.777 | 72% | 0.722 | S | S | * | * | trans | -62.8 | 86.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q28 W32 P33 | Q28-A30 PolarHBondContact O-N 3.32Å; A30-W32 VanDerWaalsContact C-N 3.33Å; A30-P33 WeakPolarHBondContact O-CD 3.38Å | ||
| 31 | L | 61.1 | Low | 51.9 | Low | 115 Ų | 115 | 119.6 Ų | 119.6 | 60% | 0.602 | 71% | 0.714 | S | S | * | * | trans | -91.2 | 15.9 | -179.2 | -85.4 | 160.4 | 0 | 0 | 0 | 113.7 | P29 | P29-L31 VanDerWaalsContact C-N 3.27Å; P29-L31 HydrophobicContact CB-CD1 4.38Å; P29-L31 HydrophobicContact CB-CG 4.36Å; P29-L31 HydrophobicContact CG-CD1 3.92Å; P29-L31 HydrophobicContact CG-CG 4.41Å; P29-L31 PolarHBondContact O-N 2.84Å | ||
| 32 | W | 52.8 | Low | 52.5 | Low | 242 Ų | 242 | 117.3 Ų | 117.3 | 92% | 0.917 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -95.9 | -4.1 | -179.1 | -78.9 | -16.7 | 0 | 0 | 0 | 119 | A30 | A30-W32 VanDerWaalsContact C-N 3.33Š|
| 33 | P | 53.2 | Low | 52.4 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 61% | 0.61 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -90.3 | -19.1 | 172.1 | 32.3 | -28 | 0 | 0 | 0 | 113.9 | A30 | A30-P33 WeakPolarHBondContact O-CD 3.38Š|
| 34 | T | 53.6 | Low | 53 | Low | 87 Ų | 87 | 114.1 Ų | 114.1 | 53% | 0.534 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -84.4 | -20.7 | -171.8 | 30.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 35 | L | 53.9 | Low | 53.5 | Low | 129 Ų | 129 | 114.9 Ų | 114.9 | 68% | 0.675 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -78.7 | -17.8 | 175.8 | -78.5 | 169.2 | 0 | 0 | 0 | 113.7 | ||
| 36 | A | 55.8 | Low | 53.5 | Low | 66 Ų | 66 | 115.3 Ų | 115.3 | 55% | 0.545 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -77.5 | -27.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 37 | A | 53.2 | Low | 53.4 | Low | 61 Ų | 61 | 114.8 Ų | 114.8 | 50% | 0.504 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -75.8 | -31.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 38 | L | 55.5 | Low | 53.7 | Low | 129 Ų | 129 | 115.5 Ų | 115.5 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.2 | -19.6 | -179.8 | -85.6 | 157.8 | 0 | 0 | 0 | 113.9 | ||
| 39 | A | 56.7 | Low | 53.6 | Low | 68 Ų | 68 | 116 Ų | 116 | 56% | 0.562 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -16 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 40 | L | 55.8 | Low | 53.3 | Low | 137 Ų | 137 | 115 Ų | 115 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -87.7 | -15.3 | 179.3 | -84.5 | 158.4 | 0 | 0 | 0 | 113.7 | ||
| 41 | L | 55.1 | Low | 53 | Low | 141 Ų | 141 | 116.6 Ų | 116.6 | 74% | 0.738 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -95.7 | -10.7 | -178.4 | -80.8 | 153.9 | 0 | 0 | 0 | 114.4 | S43 | L41-S43 VanDerWaalsContact C-N 3.33Š|
| 42 | S | 51.8 | Low | 52.8 | Low | 96 Ų | 96 | 115.4 Ų | 115.4 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -2.8 | 172.9 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 43 | S | 51.5 | Low | 53.1 | Low | 103 Ų | 103 | 109.5 Ų | 109.5 | 72% | 0.72 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 2.9 | -176.8 | -162.8 | 0 | 0 | 0 | 0 | 115 | L41 | L41-S43 VanDerWaalsContact C-N 3.33Š|
| 44 | V | 53.8 | Low | 53.4 | Low | 123 Ų | 123 | 111 Ų | 111 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -112.6 | -5.9 | -175.1 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 45 | A | 49.4 | Very low | 53.7 | Low | 88 Ų | 88 | 111.8 Ų | 111.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -101.3 | 10 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 46 | E | 47.7 | Very low | 53.7 | Low | 193 Ų | 193 | 111.9 Ų | 111.9 | 90% | 0.902 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -124.3 | 38.5 | 177.1 | -142.3 | 120.2 | 130 | 0 | 0 | 112.1 | ||
| 47 | A | 45.4 | Very low | 53.5 | Low | 89 Ų | 89 | 114.8 Ų | 114.8 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -124.4 | 54.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 48 | S | 54.1 | Low | 53.4 | Low | 112 Ų | 112 | 117.5 Ų | 117.5 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -165.2 | 82 | 164.7 | -89.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 49 | L | 50.2 | Low | 53.2 | Low | 178 Ų | 178 | 123.1 Ų | 123.1 | 93% | 0.932 | 77% | 0.769 | S | S | * | * | trans | 179 | 56.7 | 148.3 | -95.3 | 141.1 | 0 | 0 | 0 | 108.5 | ||||
| 50 | G | 46.8 | Very low | 53 | Low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 128.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 51 | P | 54.8 | Low | 52.8 | Low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 139.4 | 176.9 | 24.3 | -30.4 | 0 | 0 | 0 | 110.8 | ||
| 52 | A | 56.9 | Low | 53 | Low | 90 Ų | 90 | 125 Ų | 125 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 138.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 53 | P | 59.5 | Low | 53.2 | Low | 118 Ų | 118 | 124.3 Ų | 124.3 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 138.4 | 172.2 | 28.5 | -31.3 | 0 | 0 | 0 | 109.8 | ||
| 54 | P | 59.5 | Low | 53.2 | Low | 125 Ų | 125 | 125.3 Ų | 125.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 138.4 | 173.7 | 25.6 | -31.3 | 0 | 0 | 0 | 110.9 | ||
| 55 | S | 61.1 | Low | 53 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 113.1 | V57 | S55-V57 PolarHBondContact O-N 3.26Š|
| 56 | P | 52.2 | Low | 53.2 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 118.5 | 174.6 | 28.4 | -30.9 | 0 | 0 | 0 | 110.2 | ||
| 57 | V | 53.5 | Low | 53.5 | Low | 128 Ų | 128 | 124.5 Ų | 124.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 135.8 | 167.1 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | S55 R59 | S55-V57 PolarHBondContact O-N 3.26Å; V57-R59 PolarHBondContact O-N 3.13Å |
| 58 | P | 49.7 | Very low | 53.9 | Low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 126.7 | 172.8 | -21.2 | 32.4 | 0 | 0 | 0 | 110.3 | E60 | P58-E60 PolarHBondContact O-N 3.27Å; P58-E60 VanDerWaalsContact O-N 3.13Å |
| 59 | R | 51.3 | Low | 53.6 | Low | 247 Ų | 247 | 126.4 Ų | 126.4 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -60.7 | 110.7 | 169.1 | -88.6 | 179.5 | 146.5 | 87.1 | -1.5 | 109.1 | V57 G61 | V57-R59 PolarHBondContact O-N 3.13Å; R59-G61 PolarHBondContact O-N 2.76Å; R59-G61 VanDerWaalsContact O-N 3.17Å | ||
| 60 | E | 52.2 | Low | 53.5 | Low | 196 Ų | 196 | 122.2 Ų | 122.2 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -78.5 | 93.5 | 158.5 | -152.8 | 155.8 | 117.9 | 0 | 0 | 107.1 | P58 | P58-E60 PolarHBondContact O-N 3.27Å; P58-E60 VanDerWaalsContact O-N 3.13Å | ||
| 61 | G | 52.4 | Low | 53.2 | Low | 56 Ų | 56 | 124.3 Ų | 124.3 | 58% | 0.577 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 138.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R59 A63 | R59-G61 PolarHBondContact O-N 2.76Å; R59-G61 VanDerWaalsContact O-N 3.17Å; G61-A63 PolarHBondContact O-N 3.49Å |
| 62 | P | 59.8 | Low | 53 | Low | 132 Ų | 132 | 126.6 Ų | 126.6 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 138.2 | 172 | 24.1 | -30.2 | 0 | 0 | 0 | 110.4 | ||
| 63 | A | 55.1 | Low | 52.6 | Low | 82 Ų | 82 | 130.3 Ų | 130.3 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 150.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G61 V65 | G61-A63 PolarHBondContact O-N 3.49Å; A63-V65 PolarHBondContact O-N 2.85Å; A63-V65 VanDerWaalsContact O-N 3.13Å |
| 64 | P | 51.6 | Low | 52.2 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 117.2 | 171.4 | 27.3 | -31.6 | 0 | 0 | 0 | 109.2 | L66 | P64-L66 PolarHBondContact O-N 2.97Š|
| 65 | V | 49.2 | Very low | 51.1 | Low | 140 Ų | 140 | 128.1 Ų | 128.1 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61 | 120.7 | 166.9 | 160.1 | 0 | 0 | 0 | 0 | 108 | A63 A67 | A63-V65 PolarHBondContact O-N 2.85Å; A63-V65 VanDerWaalsContact O-N 3.13Å; V65-A67 PolarHBondContact O-N 2.89Å |
| 66 | L | 54.6 | Low | 50.2 | Low | 160 Ų | 160 | 126.3 Ų | 126.3 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 130.6 | 169.4 | -94.1 | 91.4 | 0 | 0 | 0 | 110 | P64 | P64-L66 PolarHBondContact O-N 2.97Š|
| 67 | A | 53.6 | Low | 50 | Low | 87 Ų | 87 | 132 Ų | 132 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 140.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V65 | V65-A67 PolarHBondContact O-N 2.89Š|
| 68 | P | 53.5 | Low | 49.8 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 151.6 | 170.2 | 28.6 | -30.5 | 0 | 0 | 0 | 110.9 | ||
| 69 | P | 49.1 | Very low | 49.6 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 143.9 | -174.3 | 27.4 | -33.3 | 0 | 0 | 0 | 112.1 | S71 | P69-S71 PolarHBondContact O-N 3.2Å; P69-S71 VanDerWaalsContact O-N 3.14Å |
| 70 | A | 47.8 | Very low | 49.5 | Very low | 90 Ų | 90 | 130.4 Ų | 130.4 | 74% | 0.744 | 80% | 0.798 | S | S | * | * | trans | -64.7 | 107.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | H72 | A70-H72 PolarHBondContact O-N 3.33Š| ||
| 71 | S | 39.1 | Very low | 49.2 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -78.8 | 104.3 | 163.6 | 44.8 | 0 | 0 | 0 | 0 | 109.2 | P69 | P69-S71 PolarHBondContact O-N 3.2Å; P69-S71 VanDerWaalsContact O-N 3.14Å | ||
| 72 | H | 51.8 | Low | 48.8 | Very low | 175 Ų | 175 | 135.6 Ų | 135.6 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | -60.8 | 128.8 | 164.2 | -76 | -95 | 0 | 0 | 0 | 110.3 | A70 | A70-H72 PolarHBondContact O-N 3.33Š| ||
| 73 | L | 47.8 | Very low | 48.3 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -135.7 | 144.6 | 155.6 | -83.3 | 176.4 | 0 | 0 | 0 | 110.6 | ||||
| 74 | P | 50.6 | Low | 47.8 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -94 | 162.4 | -166.9 | 37.7 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 75 | G | 37.3 | Very low | 47.8 | Very low | 78 Ų | 78 | 139.5 Ų | 139.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | 101.5 | 94.6 | 143.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 76 | G | 42.8 | Very low | 47.7 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | 63.8 | 103 | 118.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 77 | R | 46.4 | Very low | 47.5 | Very low | 248 Ų | 248 | 141.2 Ų | 141.2 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | -164 | 112.8 | 123.8 | -108.9 | 168.4 | -90.2 | -135.3 | 3.6 | 109.8 | A79 | R77-A79 PolarHBondContact O-N 2.99Š| |||
| 78 | T | 49.4 | Very low | 47.5 | Very low | 137 Ų | 137 | 148.4 Ų | 148.4 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | -57.1 | 114.3 | 172.9 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | R80 | T78-R80 PolarHBondContact O-N 2.93Š| ||
| 79 | A | 45.7 | Very low | 47.6 | Very low | 101 Ų | 101 | 148.1 Ų | 148.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | trans | -66.5 | 102.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | R77 W81 | R77-A79 PolarHBondContact O-N 2.99Å; A79-W81 PolarHBondContact O-N 2.86Å | ||
| 80 | R | 49.9 | Very low | 48.2 | Very low | 222 Ų | 222 | 147.6 Ų | 147.6 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | trans | -60.3 | 97.8 | 170.4 | -179.8 | -173.2 | -64.4 | -105.4 | 0 | 107.7 | T78 C82 | T78-R80 PolarHBondContact O-N 2.93Å; R80-C82 PolarHBondContact O-N 3.16Å; R80-C82 VanDerWaalsContact O-N 3.1Å | ||
| 81 | W | 45.4 | Very low | 48.4 | Very low | 248 Ų | 248 | 149.3 Ų | 149.3 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -63.9 | 110.9 | 164 | -110 | -29.2 | 0 | 0 | 0 | 107.5 | A79 S83 | A79-W81 PolarHBondContact O-N 2.86Å; W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 3.17Å | ||
| 82 | C | 43.7 | Very low | 49.3 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -66.3 | 97.5 | 163.9 | -72.4 | 0 | 0 | 0 | 0 | 107.6 | R80 G84 | R80-C82 PolarHBondContact O-N 3.16Å; R80-C82 VanDerWaalsContact O-N 3.1Å; C82-G84 PolarHBondContact O-N 3.47Å | ||
| 83 | S | 50.7 | Low | 49.3 | Very low | 116 Ų | 116 | 150 Ų | 150 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -65.5 | 79 | 162.2 | 53.8 | 0 | 0 | 0 | 0 | 108.7 | W81 R85 | W81-S83 VanDerWaalsContact C-N 3.32Å; W81-S83 PolarHBondContact O-N 3.17Å; S83-R85 PolarHBondContact O-N 2.68Å; S83-R85 VanDerWaalsContact O-N 3.16Å | ||
| 84 | G | 44.4 | Very low | 49.7 | Very low | 67 Ų | 67 | 147.7 Ų | 147.7 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | -66.8 | 106.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | C82 A86 | C82-G84 PolarHBondContact O-N 3.47Å; G84-A86 PolarHBondContact O-N 3.48Å | ||
| 85 | R | 52 | Low | 50.1 | Low | 238 Ų | 238 | 153.3 Ų | 153.3 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -55.3 | 106.5 | 165.1 | -71.3 | -179.3 | -174.7 | -168.2 | 1.1 | 107.7 | S83 R87 | S83-R85 PolarHBondContact O-N 2.68Å; S83-R85 VanDerWaalsContact O-N 3.16Å; R85-R87 PolarHBondContact O-N 2.96Å | ||
| 86 | A | 46.8 | Very low | 51.2 | Low | 101 Ų | 101 | 155.1 Ų | 155.1 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -62.9 | 100.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | G84 R88 | G84-A86 PolarHBondContact O-N 3.48Å; A86-R88 PolarHBondContact O-N 2.79Å | ||
| 87 | R | 50.3 | Low | 52.2 | Low | 235 Ų | 235 | 156.1 Ų | 156.1 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118.6 | 168.3 | -75.3 | -168.5 | -164.7 | -157.2 | 5.1 | 107.2 | R85 | R85-R87 PolarHBondContact O-N 2.96Š|
| 88 | R | 52.2 | Low | 53.2 | Low | 237 Ų | 237 | 149.8 Ų | 149.8 | 89% | 0.894 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 127.7 | 164.1 | -127.4 | 177.8 | -161.6 | 165.7 | 4.2 | 108 | A86 | A86-R88 PolarHBondContact O-N 2.79Š|
| 89 | P | 55.5 | Low | 54.3 | Low | 111 Ų | 111 | 148.8 Ų | 148.8 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 144.6 | 168.1 | -15.8 | 28.8 | 0 | 0 | 0 | 109.5 | ||
| 90 | P | 62.8 | Low | 55.4 | Low | 113 Ų | 113 | 149.4 Ų | 149.4 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -63 | 147.7 | 172.9 | 27.1 | -32.8 | 0 | 0 | 0 | 110.4 | Q92 | P90-Q92 PolarHBondContact O-N 2.8Š|
| 91 | P | 52.3 | Low | 56.2 | Low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.3 | 176.6 | 26.2 | -31.9 | 0 | 0 | 0 | 109.8 | ||
| 92 | Q | 56.8 | Low | 57.1 | Low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 140.8 | 173.9 | -65.4 | -151.9 | -37.8 | 0 | 0 | 110.2 | P90 | P90-Q92 PolarHBondContact O-N 2.8Š|
| 93 | P | 52.7 | Low | 57.9 | Low | 123 Ų | 123 | 137.4 Ų | 137.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 140 | 171.2 | 25.3 | -31 | 0 | 0 | 0 | 110.3 | R95 | P93-R95 PolarHBondContact O-N 3.1Å; P93-R95 VanDerWaalsContact O-N 3.12Å |
| 94 | S | 55.3 | Low | 58.2 | Low | 118 Ų | 118 | 137.9 Ų | 137.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -53.2 | 111.8 | -179.2 | 43.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 95 | R | 60 | Low | 58.5 | Low | 237 Ų | 237 | 140.3 Ų | 140.3 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 130 | 168.6 | -162.3 | 176.1 | -174.2 | -179.9 | 1.5 | 108.4 | P93 A97 | P93-R95 PolarHBondContact O-N 3.1Å; P93-R95 VanDerWaalsContact O-N 3.12Å; R95-A97 PolarHBondContact O-N 3.14Å |
| 96 | P | 61 | Low | 58.5 | Low | 116 Ų | 116 | 133.3 Ų | 133.3 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 138.1 | 172.9 | -21.5 | 31.9 | 0 | 0 | 0 | 110.4 | ||
| 97 | A | 62.5 | Low | 59 | Low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 139.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R95 | R95-A97 PolarHBondContact O-N 3.14Š|
| 98 | P | 68.5 | Low | 59 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 144.2 | 170 | 27.2 | -32.2 | 0 | 0 | 0 | 109.7 | ||
| 99 | P | 71.9 | Confident | 58.8 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.1 | 176.2 | 27.1 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 100 | P | 68.9 | Low | 58.1 | Low | 115 Ų | 115 | 128.2 Ų | 128.2 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 146.5 | 178 | 27.2 | -33.9 | 0 | 0 | 0 | 110.4 | A102 | P100-A102 PolarHBondContact O-N 3.21Š|
| 101 | P | 65.9 | Low | 56.9 | Low | 125 Ų | 125 | 126.8 Ų | 126.8 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 138.6 | 174.7 | 26.3 | -32.5 | 0 | 0 | 0 | 110.1 | ||
| 102 | A | 64.4 | Low | 56.7 | Low | 90 Ų | 90 | 132.6 Ų | 132.6 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 144.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | P100 | P100-A102 PolarHBondContact O-N 3.21Š|
| 103 | P | 61.5 | Low | 56 | Low | 115 Ų | 115 | 128.8 Ų | 128.8 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.5 | 175.4 | 27.8 | -33.2 | 0 | 0 | 0 | 110.3 | S105 | P103-S105 PolarHBondContact O-N 3.02Š|
| 104 | P | 55.9 | Low | 55.6 | Low | 126 Ų | 126 | 127.9 Ų | 127.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 134.3 | 175.9 | 25.8 | -31.7 | 0 | 0 | 0 | 110.4 | A106 | P104-A106 PolarHBondContact O-N 2.92Š|
| 105 | S | 52.3 | Low | 55.3 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.6 | 174.1 | 10.7 | 0 | 0 | 0 | 0 | 110.6 | P103 | P103-S105 PolarHBondContact O-N 3.02Š|
| 106 | A | 51.6 | Low | 54.5 | Low | 91 Ų | 91 | 127.8 Ų | 127.8 | 75% | 0.752 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | P104 | P104-A106 PolarHBondContact O-N 2.92Š|
| 107 | P | 55.9 | Low | 53.8 | Low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 151.8 | 170.6 | 30.9 | -32.6 | 0 | 0 | 0 | 110.6 | R109 | P107-R109 PolarHBondContact O-N 3.28Š|
| 108 | P | 50.6 | Low | 52.9 | Low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.8 | -178.3 | 27.5 | -32.1 | 0 | 0 | 0 | 110.8 | G110 | P108-G110 PolarHBondContact O-N 3.13Š|
| 109 | R | 49.2 | Very low | 52 | Low | 256 Ų | 256 | 126.3 Ų | 126.3 | 97% | 0.966 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.4 | 166.5 | -101.7 | 178.1 | 176.4 | 171 | -0.3 | 109.2 | P107 | P107-R109 PolarHBondContact O-N 3.28Š|
| 110 | G | 39.5 | Very low | 50.7 | Low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | -173.3 | 125.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | P108 | P108-G110 PolarHBondContact O-N 3.13Š| ||
| 111 | G | 37.8 | Very low | 49.9 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | 111.4 | 112.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 112 | R | 48 | Very low | 49.4 | Very low | 249 Ų | 249 | 128.9 Ų | 128.9 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | trans | -79.7 | 153.3 | 178.1 | -64.1 | 175.4 | -179.7 | -166.9 | -0.8 | 111.8 | ||||
| 113 | A | 43.8 | Very low | 48.6 | Very low | 103 Ų | 103 | 130.4 Ų | 130.4 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | trans | 78.8 | 104.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 114 | A | 43.2 | Very low | 48.1 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | -154.9 | 125.9 | 126.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 115 | R | 49.9 | Very low | 47.7 | Very low | 254 Ų | 254 | 134.4 Ų | 134.4 | 96% | 0.958 | 83% | 0.833 | S | S | * | * | trans | -66.6 | 127.8 | 175 | -65.5 | 174.8 | 176.4 | -174.6 | -1.6 | 109.5 | ||||
| 116 | A | 42 | Very low | 47.5 | Very low | 99 Ų | 99 | 133.5 Ų | 133.5 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -154.4 | 87.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | G118 | A116-G118 PolarHBondContact O-N 2.69Š| ||
| 117 | G | 47 | Very low | 47.4 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -69.5 | 107.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 118 | G | 42.5 | Very low | 47.6 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | trans | -125.1 | 117.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | A116 G120 | A116-G118 PolarHBondContact O-N 2.69Å; G118-G120 PolarHBondContact O-N 3.13Å | ||
| 119 | P | 49.8 | Very low | 49.1 | Very low | 137 Ų | 137 | 130.9 Ų | 130.9 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -67.5 | 118 | -179.8 | -10.4 | 23.2 | 0 | 0 | 0 | 110.4 | ||||
| 120 | G | 44.7 | Very low | 51.2 | Low | 67 Ų | 67 | 120.6 Ų | 120.6 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | 42.1 | 89.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | G118 R122 | G118-G120 PolarHBondContact O-N 3.13Å; G120-R122 PolarHBondContact O-N 3.24Å | ||
| 121 | S | 52.3 | Low | 54 | Low | 123 Ų | 123 | 118.4 Ų | 118.4 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -65.3 | 70.5 | 147.9 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | P123 | S121-P123 WeakPolarHBondContact O-CD 3.43Š| ||
| 122 | R | 55.6 | Low | 56.8 | Low | 219 Ų | 219 | 119 Ų | 119 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -53.8 | 126.4 | 155.8 | -76.1 | 179.1 | 175.3 | 158 | -1.1 | 105 | G120 R124 | G120-R122 PolarHBondContact O-N 3.24Å; R122-R124 VanDerWaalsContact C-N 3.35Å; R122-R124 PolarHBondContact O-N 3.47Å | ||
| 123 | P | 47.9 | Very low | 59.2 | Low | 122 Ų | 122 | 110.2 Ų | 110.2 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -54.7 | 112.3 | 166.1 | 22.7 | -29 | 0 | 0 | 0 | 104.4 | S121 A125 | S121-P123 WeakPolarHBondContact O-CD 3.43Å; P123-A125 VanDerWaalsContact C-N 3.25Å; P123-A125 PolarHBondContact O-N 2.63Å | ||
| 124 | R | 50.9 | Low | 61.7 | Low | 229 Ų | 229 | 108.8 Ų | 108.8 | 86% | 0.864 | 67% | 0.669 | S | S | * | * | trans | -54.6 | 107.8 | 169.8 | -79.5 | -180 | 174.8 | 166.8 | 0.4 | 102.8 | R122 A126 | R122-R124 VanDerWaalsContact C-N 3.35Å; R122-R124 PolarHBondContact O-N 3.47Å; R124-A126 PolarHBondContact O-N 2.94Å | ||
| 125 | A | 47 | Very low | 64.4 | Low | 96 Ų | 96 | 106.9 Ų | 106.9 | 79% | 0.793 | 65% | 0.649 | S | S | * | * | trans | -58.7 | 88.6 | 164.1 | 0 | 0 | 0 | 0 | 0 | 104.4 | P123 G127 | P123-A125 VanDerWaalsContact C-N 3.25Å; P123-A125 PolarHBondContact O-N 2.63Å; A125-G127 PolarHBondContact O-N 2.96Å | ||
| 126 | A | 47.6 | Very low | 66.6 | Low | 99 Ų | 99 | 100.1 Ų | 100.1 | 82% | 0.818 | 63% | 0.629 | S | S | * | * | trans | -71.7 | 34 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R124 A128 | R124-A126 PolarHBondContact O-N 2.94Å; A126-A128 PolarHBondContact O-N 2.92Å; A126-A128 VanDerWaalsContact O-N 3.14Å | ||
| 127 | G | 49.9 | Very low | 69.3 | Low | 56 Ų | 56 | 100.7 Ų | 100.7 | 58% | 0.577 | 62% | 0.617 | S | S | * | * | trans | -59.9 | 115.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | A125 R129 | A125-G127 PolarHBondContact O-N 2.96Å; G127-R129 PolarHBondContact O-N 3.01Å | ||
| 128 | A | 60.8 | Low | 71.8 | Confident | 67 Ų | 67 | 97.7 Ų | 97.7 | 55% | 0.554 | 58% | 0.581 | S | S | * | * | trans | -38.1 | 113.5 | -177 | 0 | 0 | 0 | 0 | 0 | 110.4 | A126 G130 | A126-A128 PolarHBondContact O-N 2.92Å; A126-A128 VanDerWaalsContact O-N 3.14Å; A128-G130 PolarHBondContact O-N 3.23Å | ||
| 129 | R | 82.8 | Confident | 74.4 | Confident | 157 Ų | 157 | 96.1 Ų | 96.1 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.9 | 179.6 | -56.2 | -169.3 | -167.1 | -151.8 | 11.9 | 107.7 | G127 R132 G160 S161 | G127-R129 PolarHBondContact O-N 3.01Å; R129-R132 VanDerWaalsContact CD-CZ 3.48Å; R129-R132 VanDerWaalsContact NH1-NH2 3.19Å; R129-G160 VanDerWaalsContact O-CA 3.26Å; R129-G160 WeakPolarHBondContact O-CA 3.21Å; R129-S161 PolarHBondContact O-N 2.82Å |
| 130 | G | 92.9 | Very high | 76.7 | Confident | 39 Ų | 39 | 89.7 Ų | 89.7 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -58.7 | 164.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | A128 R132 S161 | A128-G130 PolarHBondContact O-N 3.23Å; G130-R132 WeakPolarHBondContact O-CG 3.4Å; G130-R132 PolarHBondContact O-N 2.98Å; G130-S161 WeakPolarHBondContact CA-O 3.47Å |
| 131 | C | 97.1 | Very high | 79.1 | Confident | 32 Ų | 32 | 93.2 Ų | 93.2 | 22% | 0.216 | 51% | 0.51 | C | S | . | . | S | Bend | trans | -54.2 | 120 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 111.2 | S161 C162 C196 G225 | C131-S161 PolarHBondContact N-O 3.19Å; C131-C162 VanDerWaalsContact CB-SG 3.58Å; C131-C196 WeakPolarHBondContact CA-SG 3.01Å; C131-C196 HydrophobicContact CB-CB 3.71Å; C131-C196 WeakPolarHBondContact CB-SG 3.41Å; C131-C196 WeakPolarHBondContact SG-CA 3.44Å; C131-C196 WeakPolarHBondContact SG-CB 3.38Å; C131-C196 CovalentContact SG-SG 2.04Å; C131-C196 PolarHBondContact SG-SG 2.91Å; C131-G225 PolarHBondContact SG-O 3Å |
| 132 | R | 96.8 | Very high | 81.3 | Confident | 97 Ų | 97 | 90.9 Ų | 90.9 | 37% | 0.366 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 160.8 | -176.1 | 67 | -166.7 | -171 | 153 | 15.6 | 112.6 | R129 G130 R134 S159 | R129-R132 VanDerWaalsContact CD-CZ 3.48Å; R129-R132 VanDerWaalsContact NH1-NH2 3.19Å; G130-R132 WeakPolarHBondContact O-CG 3.4Å; G130-R132 PolarHBondContact O-N 2.98Å; R132-R134 VanDerWaalsContact NH2-CZ 3.29Å; R132-S159 PolarHBondContact N-O 3.26Å; R132-S159 VanDerWaalsContact N-O 3.09Å; R132-S159 PolarHBondContact O-N 3.2Å; R132-S159 VanDerWaalsContact O-N 3.14Å; R132-S159 VanDerWaalsContact O-O 3.12Å |
| 133 | L | 98.3 | Very high | 83.2 | Confident | 64 Ų | 64 | 82.3 Ų | 82.3 | 34% | 0.335 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 137.5 | 175.9 | -164.8 | 65.6 | 0 | 0 | 0 | 111.1 | R156 A221 T222 C224 | L133-R156 HydrophobicContact CD1-CB 4.1Å; L133-R156 HydrophobicContact CG-CB 4.38Å; L133-A221 HydrophobicContact CD1-CB 3.82Å; L133-A221 WeakPolarHBondContact CD1-O 3.33Å; L133-T222 WeakPolarHBondContact CD2-O 3.37Å; L133-C224 WeakPolarHBondContact CA-SG 3.18Å; L133-C224 VanDerWaalsContact CD1-SG 3.52Å; L133-C224 PolarHBondContact N-SG 3.31Å |
| 134 | R | 97.9 | Very high | 85.5 | Confident | 73 Ų | 73 | 79.8 Ų | 79.8 | 28% | 0.275 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 158.3 | 173.4 | -55.7 | -53.5 | -177.3 | 131.1 | 9.2 | 109.3 | R132 R156 F157 S159 | R132-R134 VanDerWaalsContact NH2-CZ 3.29Å; R134-R156 CarbonylContact O-C 3.44Å; R134-R156 WeakPolarHBondContact O-CA 3.25Å; R134-R156 VanDerWaalsContact O-CB 3.28Å; R134-R156 WeakPolarHBondContact O-CB 3.26Å; R134-F157 HydrophobicContact CB-CD1 3.97Å; R134-F157 HydrophobicContact CB-CD2 4.17Å; R134-F157 HydrophobicContact CB-CE1 3.68Å; R134-F157 HydrophobicContact CB-CE2 3.9Å; R134-F157 HydrophobicContact CB-CG 4.21Å; R134-F157 HydrophobicContact CB-CZ 3.65Å; R134-F157 WeakPolarHBondContact CB-O 3.01Å; R134-F157 HydrophobicContact CG-CD2 4.39Å; R134-F157 HydrophobicContact CG-CE2 3.97Å; R134-F157 HydrophobicContact CG-CZ 4.09Å; R134-F157 PolarHBondContact N-O 3.1Å; R134-F157 PolarHBondContact O-N 3.01Å; R134-S159 WeakPolarHBondContact CG-OG 3.3Å; R134-S159 PolarHBondContact NE-OG 3.37Å |
| 135 | S | 97.9 | Very high | 87.7 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 44% | 0.441 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 133.9 | 179.9 | 180 | 0 | 0 | 0 | 0 | 108.4 | R154 | S135-R154 WeakPolarHBondContact OG-CD 3.48Å; S135-R154 WeakPolarHBondContact OG-CG 3.47Å |
| 136 | Q | 98.1 | Very high | 90 | Very high | 112 Ų | 112 | 71.7 Ų | 71.7 | 52% | 0.523 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.4 | 177.8 | -176.8 | 168.4 | -20.7 | 0 | 0 | 109.8 | V138 F155 F157 | Q136-V138 HydrophobicContact CG-CG1 4.08Å; Q136-F155 PolarHBondContact N-O 3.47Å; Q136-F155 PolarHBondContact O-N 3.27Å; Q136-F157 HydrophobicContact CB-CE1 4.4Å |
| 137 | L | 98.3 | Very high | 92.2 | Very high | 110 Ų | 110 | 69.7 Ų | 69.7 | 58% | 0.576 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 127.7 | 169.5 | -71.3 | 171.7 | 0 | 0 | 0 | 108.8 | V153 R154 | L137-V153 WeakPolarHBondContact CA-O 3.27Å; L137-R154 HydrophobicContact CD2-CB 4.03Å |
| 138 | V | 97.9 | Very high | 94.4 | Very high | 25 Ų | 25 | 76.6 Ų | 76.6 | 15% | 0.152 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 144.7 | 180 | -61.6 | 0 | 0 | 0 | 0 | 110 | Q136 L143 L152 V153 F155 | Q136-V138 HydrophobicContact CG-CG1 4.08Å; V138-L143 HydrophobicContact CG2-CD2 4.02Å; V138-L152 WeakPolarHBondContact O-CA 3.33Å; V138-V153 HydrophobicContact CG2-CG2 4.19Å; V138-V153 PolarHBondContact N-O 2.97Å; V138-V153 PolarHBondContact O-N 2.99Å; V138-F155 HydrophobicContact CG2-CB 3.55Å; V138-F155 HydrophobicContact CG2-CG 4.36Å |
| 139 | P | 97.6 | Very high | 96 | Very high | 31 Ų | 31 | 73.8 Ų | 73.8 | 20% | 0.201 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 141.9 | 174.8 | 29.6 | -32.7 | 0 | 0 | 0 | 110.6 | R141 A142 E151 L152 | P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 HydrophobicContact CB-CG 4.18Å; P139-R141 PolarHBondContact O-N 3.26Å; P139-A142 HydrophobicContact CG-CB 3.81Å; P139-A142 WeakPolarHBondContact O-CB 3.29Å; P139-A142 PolarHBondContact O-N 3.49Å; P139-E151 WeakPolarHBondContact CA-O 3.21Å; P139-L152 HydrophobicContact CB-CD2 3.87Å; P139-L152 HydrophobicContact CG-CD2 4.46Å |
| 140 | V | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.018 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -59 | -40.6 | -176.9 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | A142 L143 H147 E151 V153 F206 | V140-A142 PolarHBondContact O-N 3.24Å; V140-A142 VanDerWaalsContact O-N 3.1Å; V140-L143 WeakPolarHBondContact O-CB 3.35Å; V140-L143 PolarHBondContact O-N 3.4Å; V140-H147 HydrophobicContact CG1-CB 3.85Å; V140-E151 HydrophobicContact CG2-CB 4.4Å; V140-E151 WeakPolarHBondContact CG2-O 3.15Å; V140-E151 PolarHBondContact N-O 3.14Å; V140-V153 HydrophobicContact CG2-CB 4.48Å; V140-V153 HydrophobicContact CG2-CG1 3.66Å; V140-V153 HydrophobicContact CG2-CG2 4.01Å; V140-F206 HydrophobicContact CB-CD2 4.41Å; V140-F206 HydrophobicContact CB-CG 4.45Å; V140-F206 HydrophobicContact CG1-CD1 4.08Å; V140-F206 HydrophobicContact CG1-CD2 3.78Å; V140-F206 HydrophobicContact CG1-CE1 3.86Å; V140-F206 HydrophobicContact CG1-CE2 3.56Å; V140-F206 HydrophobicContact CG1-CG 4.05Å; V140-F206 HydrophobicContact CG1-CZ 3.61Å; V140-F206 HydrophobicContact CG2-CB 3.89Å; V140-F206 HydrophobicContact CG2-CD1 3.83Å; V140-F206 HydrophobicContact CG2-CD2 4.03Å; V140-F206 HydrophobicContact CG2-CE1 4.41Å; V140-F206 HydrophobicContact CG2-CG 3.62Å |
| 141 | R | 97 | Very high | 96.6 | Very high | 140 Ų | 140 | 73.5 Ų | 73.5 | 53% | 0.528 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -56 | -26.4 | 176 | 63.8 | -178.9 | -175.5 | -82.8 | -1.7 | 114.3 | P139 L143 S149 D150 | P139-R141 VanDerWaalsContact C-N 3.3Å; P139-R141 HydrophobicContact CB-CG 4.18Å; P139-R141 PolarHBondContact O-N 3.26Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-S149 PolarHBondContact N-O 2.04Å; R141-D150 WeakPolarHBondContact CD-OD1 3.44Å; R141-D150 IonicContact CZ-OD1 3.38Å; R141-D150 IonicContact NE-OD1 3.68Å; R141-D150 IonicContact NH1-OD1 2.64Å; R141-D150 PolarHBondContact NH1-OD1 3.49Å |
| 142 | A | 97.2 | Very high | 96.7 | Very high | 74 Ų | 74 | 76.9 Ų | 76.9 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -83.4 | -6.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | P139 V140 G144 | P139-A142 HydrophobicContact CG-CB 3.81Å; P139-A142 WeakPolarHBondContact O-CB 3.29Å; P139-A142 PolarHBondContact O-N 3.49Å; V140-A142 PolarHBondContact O-N 3.24Å; V140-A142 VanDerWaalsContact O-N 3.1Å; A142-G144 PolarHBondContact O-N 3.01Å |
| 143 | L | 96.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 72.7 Ų | 72.7 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -75.5 | -11.3 | 177.6 | -65.8 | 168.7 | 0 | 0 | 0 | 113.2 | V138 V140 R141 L145 V153 F155 L219 | V138-L143 HydrophobicContact CG2-CD2 4.02Å; V140-L143 WeakPolarHBondContact O-CB 3.35Å; V140-L143 PolarHBondContact O-N 3.4Å; R141-L143 VanDerWaalsContact C-N 3.33Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.23Å; L143-L145 HydrophobicContact CB-CG 4.15Å; L143-L145 PolarHBondContact O-N 2.77Å; L143-V153 HydrophobicContact CD1-CG2 4.16Å; L143-F155 HydrophobicContact CD2-CD2 4.15Å; L143-F155 HydrophobicContact CD2-CE2 4.43Å; L143-L219 HydrophobicContact CD1-CD2 3.78Å |
| 144 | G | 96.3 | Very high | 96.7 | Very high | 69 Ų | 69 | 76.3 Ų | 76.3 | 71% | 0.711 | 41% | 0.409 | S | S | * | . | S | Bend | trans | 71.7 | 18.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A142 | A142-G144 PolarHBondContact O-N 3.01Š|
| 145 | L | 95.7 | Very high | 96.7 | Very high | 81 Ų | 81 | 75.5 Ų | 75.5 | 42% | 0.424 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -94.3 | 9.7 | -177.2 | -59.4 | 177.2 | 0 | 0 | 0 | 113.7 | L143 H147 V216 L219 | L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 HydrophobicContact CB-CD1 4.23Å; L143-L145 HydrophobicContact CB-CG 4.15Å; L143-L145 PolarHBondContact O-N 2.77Å; L145-H147 PolarHBondContact O-N 2.91Å; L145-V216 HydrophobicContact CD1-CG1 4.03Å; L145-V216 HydrophobicContact CD1-CG2 4.18Å; L145-L219 HydrophobicContact CD1-CD1 3.9Å; L145-L219 HydrophobicContact CD1-CD2 4.31Å |
| 146 | G | 95.3 | Very high | 96.7 | Very high | 73 Ų | 73 | 74.9 Ų | 74.9 | 75% | 0.753 | 40% | 0.396 | S | S | * | . | S | Bend | trans | 76.9 | -3.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | R148 | G146-R148 PolarHBondContact O-N 2.93Š|
| 147 | H | 95.1 | Very high | 96.8 | Very high | 57 Ų | 57 | 73 Ų | 73 | 26% | 0.264 | 39% | 0.386 | S | S | . | . | trans | -74.8 | 123.9 | 174.6 | -62.7 | -65.9 | 0 | 0 | 0 | 111.4 | V140 L145 F206 | V140-H147 HydrophobicContact CG1-CB 3.85Å; L145-H147 PolarHBondContact O-N 2.91Å; H147-F206 HydrophobicContact CB-CE2 3.82Å; H147-F206 HydrophobicContact CB-CZ 3.79Å; H147-F206 AromaticContact CD2-CZ 3.52Å; H147-F206 AromaticContact CG-CE2 3.87Å; H147-F206 AromaticContact CG-CZ 3.48Å; H147-F206 VanDerWaalsContact CG-CZ 3.48Å; H147-F206 AromaticContact ND1-CZ 3.94Å; H147-F206 AromaticContact NE2-CZ 3.99Å | ||
| 148 | R | 94.6 | Very high | 96.7 | Very high | 201 Ų | 201 | 68.8 Ų | 68.8 | 76% | 0.758 | 37% | 0.365 | S | S | * | . | trans | -90.5 | 102.3 | 170.2 | -61.3 | -179.2 | -175.9 | -178.7 | 0.7 | 107.6 | G146 V209 | G146-R148 PolarHBondContact O-N 2.93Å; R148-V209 HydrophobicContact CB-CG1 4.22Å; R148-V209 HydrophobicContact CB-CG2 4.32Å; R148-V209 WeakPolarHBondContact O-CG1 3.05Å; R148-V209 PolarHBondContact O-N 3.48Å | ||
| 149 | S | 96 | Very high | 96.7 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 6% | 0.056 | 37% | 0.371 | C | S | . | . | trans | -156.1 | 141.8 | 173.7 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | R141 E151 M207 | R141-S149 PolarHBondContact N-O 2.04Å; S149-E151 WeakPolarHBondContact OG-CB 3.25Å; S149-E151 PolarHBondContact OG-N 2.03Å; S149-M207 VanDerWaalsContact CB-O 3.29Å; S149-M207 WeakPolarHBondContact CB-O 2.94Å; S149-M207 PolarHBondContact OG-O 3.48Å | ||
| 150 | D | 92.6 | Very high | 96.6 | Very high | 116 Ų | 116 | 69.7 Ų | 69.7 | 62% | 0.62 | 38% | 0.379 | S | S | * | . | trans | -95.7 | 1.5 | 177.4 | -65.4 | -32.3 | 0 | 0 | 0 | 113.4 | R141 | R141-D150 WeakPolarHBondContact CD-OD1 3.44Å; R141-D150 IonicContact CZ-OD1 3.38Å; R141-D150 IonicContact NE-OD1 3.68Å; R141-D150 IonicContact NH1-OD1 2.64Å; R141-D150 PolarHBondContact NH1-OD1 3.49Å | ||
| 151 | E | 96.1 | Very high | 96.5 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | trans | -61.6 | 140.1 | 177.4 | -167.5 | 174.1 | 165.1 | 0 | 0 | 111.5 | P139 V140 S149 F206 M207 | P139-E151 WeakPolarHBondContact CA-O 3.21Å; V140-E151 HydrophobicContact CG2-CB 4.4Å; V140-E151 WeakPolarHBondContact CG2-O 3.15Å; V140-E151 PolarHBondContact N-O 3.14Å; S149-E151 WeakPolarHBondContact OG-CB 3.25Å; S149-E151 PolarHBondContact OG-N 2.03Å; E151-F206 HydrophobicContact CB-CB 4.44Å; E151-F206 HydrophobicContact CG-CB 4.48Å; E151-F206 VanDerWaalsContact OE2-CA 3.25Å; E151-F206 WeakPolarHBondContact OE2-CA 3.45Å; E151-F206 VanDerWaalsContact OE2-CB 3.26Å; E151-F206 WeakPolarHBondContact OE2-CB 3.32Å; E151-M207 PolarHBondContact OE2-N 2.89Å | ||
| 152 | L | 97.3 | Very high | 96.4 | Very high | 104 Ų | 104 | 64 Ų | 64 | 55% | 0.545 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 114 | 175.4 | -65.6 | -178.1 | 0 | 0 | 0 | 109.9 | V138 P139 | V138-L152 WeakPolarHBondContact O-CA 3.33Å; P139-L152 HydrophobicContact CB-CD2 3.87Å; P139-L152 HydrophobicContact CG-CD2 4.46Å |
| 153 | V | 97.5 | Very high | 96.2 | Very high | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.048 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.6 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | L137 V138 V140 L143 F155 V204 F206 | L137-V153 WeakPolarHBondContact CA-O 3.27Å; V138-V153 HydrophobicContact CG2-CG2 4.19Å; V138-V153 PolarHBondContact N-O 2.97Å; V138-V153 PolarHBondContact O-N 2.99Å; V140-V153 HydrophobicContact CG2-CB 4.48Å; V140-V153 HydrophobicContact CG2-CG1 3.66Å; V140-V153 HydrophobicContact CG2-CG2 4.01Å; L143-V153 HydrophobicContact CD1-CG2 4.16Å; V153-F155 PolarHBondContact O-N 3.02Å; V153-V204 HydrophobicContact CB-CG1 3.67Å; V153-V204 HydrophobicContact CG1-CG1 3.64Å; V153-V204 HydrophobicContact CG2-CG1 4.04Å; V153-F206 HydrophobicContact CG1-CB 4.1Å |
| 154 | R | 97.9 | Very high | 96.1 | Very high | 140 Ų | 140 | 78 Ų | 78 | 53% | 0.528 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 99.4 | 176 | -174.2 | 156.6 | 64.6 | 140.7 | -10.5 | 110.1 | S135 L137 R156 | S135-R154 WeakPolarHBondContact OG-CD 3.48Å; S135-R154 WeakPolarHBondContact OG-CG 3.47Å; L137-R154 HydrophobicContact CD2-CB 4.03Å; R154-R156 VanDerWaalsContact NH2-NH2 3.1Å |
| 155 | F | 98.5 | Very high | 96 | Very high | 56 Ų | 56 | 77.3 Ų | 77.3 | 25% | 0.246 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.9 | 177.6 | -175.9 | -103.3 | 0 | 0 | 0 | 111 | Q136 V138 L143 V153 F157 L219 | Q136-F155 PolarHBondContact N-O 3.47Å; Q136-F155 PolarHBondContact O-N 3.27Å; V138-F155 HydrophobicContact CG2-CB 3.55Å; V138-F155 HydrophobicContact CG2-CG 4.36Å; L143-F155 HydrophobicContact CD2-CD2 4.15Å; L143-F155 HydrophobicContact CD2-CE2 4.43Å; V153-F155 PolarHBondContact O-N 3.02Å; F155-F157 HydrophobicContact CD1-CB 4.45Å; F155-F157 HydrophobicContact CD1-CD1 4.12Å; F155-F157 HydrophobicContact CE1-CB 3.89Å; F155-F157 HydrophobicContact CE1-CD1 4.25Å; F155-F157 HydrophobicContact CE1-CG 4.42Å; F155-L219 HydrophobicContact CD2-CG 4.43Å; F155-L219 HydrophobicContact CE2-CD1 4.4Å; F155-L219 HydrophobicContact CE2-CG 4.25Å; F155-L219 WeakPolarHBondContact CE2-O 3.25Å |
| 156 | R | 98.6 | Very high | 96 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 19% | 0.189 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.4 | 176.5 | -60.7 | 176.6 | 173.2 | 96.4 | -14.5 | 111.6 | L133 R134 R154 E202 S220 A221 | L133-R156 HydrophobicContact CD1-CB 4.1Å; L133-R156 HydrophobicContact CG-CB 4.38Å; R134-R156 CarbonylContact O-C 3.44Å; R134-R156 WeakPolarHBondContact O-CA 3.25Å; R134-R156 VanDerWaalsContact O-CB 3.28Å; R134-R156 WeakPolarHBondContact O-CB 3.26Å; R154-R156 VanDerWaalsContact NH2-NH2 3.1Å; R156-E202 IonicContact CZ-OE1 3.61Å; R156-E202 IonicContact NE-OE1 4Å; R156-E202 VanDerWaalsContact NH1-CD 3.32Å; R156-E202 IonicContact NH1-OE1 2.63Å; R156-E202 PolarHBondContact NH1-OE1 2.64Å; R156-E202 IonicContact NH1-OE2 3.24Å; R156-E202 PolarHBondContact NH1-OE2 3.41Å; R156-S220 VanDerWaalsContact CB-OG 3.3Å; R156-S220 WeakPolarHBondContact CB-OG 3.45Å; R156-S220 PolarHBondContact N-OG 3.19Å; R156-A221 WeakPolarHBondContact CB-O 3.49Å; R156-A221 VanDerWaalsContact CD-O 3.25Å; R156-A221 WeakPolarHBondContact CD-O 3.46Å; R156-A221 WeakPolarHBondContact O-CB 3.43Å; R156-A221 PolarHBondContact O-N 2.93Å |
| 157 | F | 98.5 | Very high | 96 | Very high | 73 Ų | 73 | 76 Ų | 76 | 32% | 0.32 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 160.9 | -177.2 | 66.2 | -84 | 0 | 0 | 0 | 112.3 | R134 Q136 F155 | R134-F157 HydrophobicContact CB-CD1 3.97Å; R134-F157 HydrophobicContact CB-CD2 4.17Å; R134-F157 HydrophobicContact CB-CE1 3.68Å; R134-F157 HydrophobicContact CB-CE2 3.9Å; R134-F157 HydrophobicContact CB-CG 4.21Å; R134-F157 HydrophobicContact CB-CZ 3.65Å; R134-F157 WeakPolarHBondContact CB-O 3.01Å; R134-F157 HydrophobicContact CG-CD2 4.39Å; R134-F157 HydrophobicContact CG-CE2 3.97Å; R134-F157 HydrophobicContact CG-CZ 4.09Å; R134-F157 PolarHBondContact N-O 3.1Å; R134-F157 PolarHBondContact O-N 3.01Å; Q136-F157 HydrophobicContact CB-CE1 4.4Å; F155-F157 HydrophobicContact CD1-CB 4.45Å; F155-F157 HydrophobicContact CD1-CD1 4.12Å; F155-F157 HydrophobicContact CE1-CB 3.89Å; F155-F157 HydrophobicContact CE1-CD1 4.25Å; F155-F157 HydrophobicContact CE1-CG 4.42Å |
| 158 | C | 98.1 | Very high | 96.1 | Very high | 21 Ų | 21 | 78.5 Ų | 78.5 | 14% | 0.142 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.1 | -178.4 | -63.1 | 0 | 0 | 0 | 0 | 111.5 | P198 C224 | C158-P198 HydrophobicContact CB-CG 4.36Å; C158-P198 VanDerWaalsContact SG-CA 3.51Å; C158-C224 WeakPolarHBondContact CA-SG 3.26Å; C158-C224 HydrophobicContact CB-CB 3.81Å; C158-C224 WeakPolarHBondContact CB-SG 3.49Å; C158-C224 WeakPolarHBondContact SG-CA 3.48Å; C158-C224 WeakPolarHBondContact SG-CB 3.23Å; C158-C224 CovalentContact SG-SG 2.03Å; C158-C224 PolarHBondContact SG-SG 3.43Å |
| 159 | S | 96.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 75.1 Ų | 75.1 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 151.9 | 171.5 | 62.2 | 0 | 0 | 0 | 0 | 112 | R132 R134 | R132-S159 PolarHBondContact N-O 3.26Å; R132-S159 VanDerWaalsContact N-O 3.09Å; R132-S159 PolarHBondContact O-N 3.2Å; R132-S159 VanDerWaalsContact O-N 3.14Å; R132-S159 VanDerWaalsContact O-O 3.12Å; R134-S159 WeakPolarHBondContact CG-OG 3.3Å; R134-S159 PolarHBondContact NE-OG 3.37Å |
| 160 | G | 95.6 | Very high | 96.2 | Very high | 36 Ų | 36 | 75.8 Ų | 75.8 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | S | Bend | trans | 136.4 | 179.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R129 | R129-G160 VanDerWaalsContact O-CA 3.26Å; R129-G160 WeakPolarHBondContact O-CA 3.21Å |
| 161 | S | 94.7 | Very high | 96.4 | Very high | 19 Ų | 19 | 74.4 Ų | 74.4 | 13% | 0.133 | 37% | 0.365 | C | S | . | . | B | Isolated β-bridge | trans | -95.4 | 143.7 | -178.8 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | R129 G130 C131 R163 Q193 | R129-S161 PolarHBondContact O-N 2.82Å; G130-S161 WeakPolarHBondContact CA-O 3.47Å; C131-S161 PolarHBondContact N-O 3.19Å; S161-R163 VanDerWaalsContact OG-CG 3.25Å; S161-R163 WeakPolarHBondContact OG-CG 3.38Å; S161-R163 PolarHBondContact OG-N 2.03Å; S161-Q193 PolarHBondContact OG-OE1 3.28Å |
| 162 | C | 96.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 74.2 Ų | 74.2 | 3% | 0.027 | 37% | 0.372 | C | S | . | . | trans | -109 | 24.9 | 174.6 | -72.3 | 0 | 0 | 0 | 0 | 113.2 | C131 R164 A165 P194 C226 | C131-C162 VanDerWaalsContact CB-SG 3.58Å; C162-R164 PolarHBondContact O-N 2.96Å; C162-A165 PolarHBondContact O-N 3Å; C162-P194 HydrophobicContact CB-CB 4.01Å; C162-P194 VanDerWaalsContact CB-O 3.24Å; C162-P194 WeakPolarHBondContact CB-O 3.18Å; C162-C226 VanDerWaalsContact CA-SG 3.52Å; C162-C226 HydrophobicContact CB-CB 3.63Å; C162-C226 WeakPolarHBondContact CB-SG 3.32Å; C162-C226 WeakPolarHBondContact SG-CA 3.47Å; C162-C226 WeakPolarHBondContact SG-CB 3.43Å; C162-C226 CovalentContact SG-SG 2.03Å; C162-C226 PolarHBondContact SG-SG 3.47Å | ||
| 163 | R | 93.4 | Very high | 96.4 | Very high | 157 Ų | 157 | 70.4 Ų | 70.4 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -54 | -26 | -179 | -80.1 | 175.3 | -172 | -146 | 3.4 | 114.8 | S161 R166 | S161-R163 VanDerWaalsContact OG-CG 3.25Å; S161-R163 WeakPolarHBondContact OG-CG 3.38Å; S161-R163 PolarHBondContact OG-N 2.03Å; R163-R166 PolarHBondContact O-NE 2.98Å; R163-R166 VanDerWaalsContact O-NE 3.08Å |
| 164 | R | 92.4 | Very high | 96.3 | Very high | 253 Ų | 253 | 71.3 Ų | 71.3 | 96% | 0.955 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -78 | -19.7 | -180 | -60.6 | -176.9 | -172.7 | -156.9 | -0.4 | 113.6 | C162 | C162-R164 PolarHBondContact O-N 2.96Š|
| 165 | A | 94.7 | Very high | 96.3 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -102.7 | 17.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C162 P194 C226 | C162-A165 PolarHBondContact O-N 3Å; A165-P194 HydrophobicContact CB-CG 4.44Å; A165-C226 HydrophobicContact CB-CB 3.89Å |
| 166 | R | 95.4 | Very high | 96.2 | Very high | 82 Ų | 82 | 69.6 Ų | 69.6 | 31% | 0.309 | 37% | 0.37 | S | S | . | . | trans | -70 | 133 | -179.4 | -81.2 | -171.9 | -80.9 | -179.6 | -0.4 | 110.9 | R163 D170 L171 S192 Q193 | R163-R166 PolarHBondContact O-NE 2.98Å; R163-R166 VanDerWaalsContact O-NE 3.08Å; R166-D170 HydrophobicContact CB-CB 3.89Å; R166-D170 HydrophobicContact CG-CB 3.87Å; R166-L171 HydrophobicContact CB-CD2 4.3Å; R166-L171 HydrophobicContact CB-CG 4.5Å; R166-S192 WeakPolarHBondContact CD-O 3.49Å; R166-Q193 HydrophobicContact CG-CB 4.12Å | ||
| 167 | S | 96.3 | Very high | 96 | Very high | 45 Ų | 45 | 68.2 Ų | 68.2 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | trans | -77.2 | 167.1 | 170.6 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | H169 D170 L171 | S167-H169 PolarHBondContact O-N 2.8Å; S167-H169 PolarHBondContact OG-N 2.8Å; S167-D170 WeakPolarHBondContact CB-OD2 3.48Å; S167-D170 PolarHBondContact N-OD2 3.09Å; S167-D170 WeakPolarHBondContact O-CB 3.48Å; S167-D170 PolarHBondContact O-N 2.76Å; S167-D170 VanDerWaalsContact O-N 3.15Å; S167-D170 PolarHBondContact OG-N 3.19Å; S167-D170 PolarHBondContact OG-OD2 3.08Å; S167-L171 WeakPolarHBondContact O-CG 3.42Å; S167-L171 PolarHBondContact O-N 3.31Å | ||
| 168 | P | 97.5 | Very high | 95.8 | Very high | 109 Ų | 109 | 67.9 Ų | 67.9 | 71% | 0.708 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -55.7 | -35.5 | 169.7 | -26.5 | 35.9 | 0 | 0 | 0 | 113.1 | L171 S172 | P168-L171 PolarHBondContact O-N 3.36Å; P168-S172 PolarHBondContact O-N 3.42Å; P168-S172 VanDerWaalsContact O-N 3.12Å; P168-S172 PolarHBondContact O-OG 3.14Å |
| 169 | H | 96.6 | Very high | 95.7 | Very high | 130 Ų | 130 | 70.9 Ų | 70.9 | 60% | 0.602 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.2 | -46.3 | 175.5 | 177.5 | 77.5 | 0 | 0 | 0 | 111.6 | S167 L171 S172 L173 | S167-H169 PolarHBondContact O-N 2.8Å; S167-H169 PolarHBondContact OG-N 2.8Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.21Å; H169-S172 PolarHBondContact O-N 3.29Å; H169-L173 WeakPolarHBondContact O-CB 3.21Å; H169-L173 PolarHBondContact O-N 3.05Å |
| 170 | D | 96.3 | Very high | 95.6 | Very high | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.112 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 179.2 | -64.5 | -46.5 | 0 | 0 | 0 | 112.6 | R166 S167 A174 S192 | R166-D170 HydrophobicContact CB-CB 3.89Å; R166-D170 HydrophobicContact CG-CB 3.87Å; S167-D170 WeakPolarHBondContact CB-OD2 3.48Å; S167-D170 PolarHBondContact N-OD2 3.09Å; S167-D170 WeakPolarHBondContact O-CB 3.48Å; S167-D170 PolarHBondContact O-N 2.76Å; S167-D170 VanDerWaalsContact O-N 3.15Å; S167-D170 PolarHBondContact OG-N 3.19Å; S167-D170 PolarHBondContact OG-OD2 3.08Å; D170-A174 VanDerWaalsContact O-CB 3.24Å; D170-A174 WeakPolarHBondContact O-CB 3.33Å; D170-A174 PolarHBondContact O-N 2.99Å; D170-S192 WeakPolarHBondContact CB-O 3.05Å |
| 171 | L | 96.7 | Very high | 95.6 | Very high | 88 Ų | 88 | 73.3 Ų | 73.3 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.4 | -43.8 | 177.8 | -64.9 | 174.8 | 0 | 0 | 0 | 111.6 | R166 S167 P168 H169 S175 | R166-L171 HydrophobicContact CB-CD2 4.3Å; R166-L171 HydrophobicContact CB-CG 4.5Å; S167-L171 WeakPolarHBondContact O-CG 3.42Å; S167-L171 PolarHBondContact O-N 3.31Å; P168-L171 PolarHBondContact O-N 3.36Å; H169-L171 VanDerWaalsContact C-N 3.3Å; H169-L171 PolarHBondContact O-N 3.21Å; L171-S175 PolarHBondContact O-N 3.36Å; L171-S175 PolarHBondContact O-OG 3.39Å |
| 172 | S | 97.1 | Very high | 95.4 | Very high | 69 Ų | 69 | 75.8 Ų | 75.8 | 48% | 0.483 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 175.5 | -64 | 0 | 0 | 0 | 0 | 111.2 | P168 H169 A174 S175 L176 | P168-S172 PolarHBondContact O-N 3.42Å; P168-S172 VanDerWaalsContact O-N 3.12Å; P168-S172 PolarHBondContact O-OG 3.14Å; H169-S172 PolarHBondContact O-N 3.29Å; S172-A174 VanDerWaalsContact C-N 3.34Å; S172-A174 PolarHBondContact O-N 3.15Å; S172-S175 WeakPolarHBondContact O-CB 3.49Å; S172-S175 PolarHBondContact O-N 3.29Å; S172-S175 VanDerWaalsContact O-N 3.15Å; S172-L176 WeakPolarHBondContact O-CB 3.07Å; S172-L176 VanDerWaalsContact O-CG 3.32Å; S172-L176 WeakPolarHBondContact O-CG 3.28Å; S172-L176 PolarHBondContact O-N 2.84Å |
| 173 | L | 95.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 87 Ų | 87 | 13% | 0.131 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 177.9 | -179.2 | 60.3 | 0 | 0 | 0 | 111.5 | H169 S175 L176 L177 L182 P190 | H169-L173 WeakPolarHBondContact O-CB 3.21Å; H169-L173 PolarHBondContact O-N 3.05Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.12Å; L173-L176 PolarHBondContact O-N 3.25Å; L173-L177 HydrophobicContact CD1-CD1 3.88Å; L173-L177 HydrophobicContact CD1-CG 3.94Å; L173-L177 HydrophobicContact CG-CD1 3.84Å; L173-L177 HydrophobicContact CG-CG 4.33Å; L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 2.97Å; L173-L177 PolarHBondContact O-N 3.23Å; L173-L182 HydrophobicContact CD1-CD1 3.66Å; L173-P190 HydrophobicContact CD2-CB 4.21Å |
| 174 | A | 95.3 | Very high | 94.8 | Very high | 27 Ų | 27 | 83.7 Ų | 83.7 | 22% | 0.223 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.9 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D170 S172 G178 | D170-A174 VanDerWaalsContact O-CB 3.24Å; D170-A174 WeakPolarHBondContact O-CB 3.33Å; D170-A174 PolarHBondContact O-N 2.99Å; S172-A174 VanDerWaalsContact C-N 3.34Å; S172-A174 PolarHBondContact O-N 3.15Å; A174-G178 PolarHBondContact O-N 3.46Å |
| 175 | S | 96.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 74.9 Ų | 74.9 | 58% | 0.58 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.4 | -47.7 | 178.2 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | L171 S172 L173 L177 G178 A179 | L171-S175 PolarHBondContact O-N 3.36Å; L171-S175 PolarHBondContact O-OG 3.39Å; S172-S175 WeakPolarHBondContact O-CB 3.49Å; S172-S175 PolarHBondContact O-N 3.29Å; S172-S175 VanDerWaalsContact O-N 3.15Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.12Å; S175-L177 PolarHBondContact O-N 2.88Å; S175-G178 PolarHBondContact O-N 3.33Å; S175-A179 WeakPolarHBondContact O-CB 3.02Å; S175-A179 PolarHBondContact O-N 2.64Å |
| 176 | L | 96.4 | Very high | 94.5 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 40% | 0.398 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 179.5 | -70.7 | 171 | 0 | 0 | 0 | 112.5 | S172 L173 G178 A179 G180 A181 L182 | S172-L176 WeakPolarHBondContact O-CB 3.07Å; S172-L176 VanDerWaalsContact O-CG 3.32Å; S172-L176 WeakPolarHBondContact O-CG 3.28Å; S172-L176 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.25Å; L176-G178 VanDerWaalsContact C-N 3.33Å; L176-A179 PolarHBondContact O-N 2.87Å; L176-G180 PolarHBondContact O-N 3.49Å; L176-G180 VanDerWaalsContact O-N 3.1Å; L176-A181 HydrophobicContact CD2-CB 3.81Å; L176-A181 PolarHBondContact O-N 3.14Å; L176-L182 HydrophobicContact CB-CD1 3.7Å; L176-L182 HydrophobicContact CB-CG 3.89Å; L176-L182 HydrophobicContact CD1-CD1 4.1Å; L176-L182 HydrophobicContact CD1-CD2 4.48Å; L176-L182 HydrophobicContact CD1-CG 4.37Å |
| 177 | L | 94.3 | Very high | 94.3 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -69.4 | -29.5 | 174.8 | -72.9 | 174.7 | 0 | 0 | 0 | 112.8 | L173 S175 L182 R189 P190 | L173-L177 HydrophobicContact CD1-CD1 3.88Å; L173-L177 HydrophobicContact CD1-CG 3.94Å; L173-L177 HydrophobicContact CG-CD1 3.84Å; L173-L177 HydrophobicContact CG-CG 4.33Å; L173-L177 VanDerWaalsContact O-CB 3.26Å; L173-L177 WeakPolarHBondContact O-CB 3.44Å; L173-L177 VanDerWaalsContact O-CG 3.23Å; L173-L177 WeakPolarHBondContact O-CG 2.97Å; L173-L177 PolarHBondContact O-N 3.23Å; S175-L177 PolarHBondContact O-N 2.88Å; L177-L182 HydrophobicContact CD2-CD1 4.35Å; L177-L182 HydrophobicContact CG-CD1 4.46Å; L177-R189 PolarHBondContact O-NH2 2.9Å; L177-R189 VanDerWaalsContact O-NH2 3.16Å; L177-P190 HydrophobicContact CD1-CB 4.43Å |
| 178 | G | 94.1 | Very high | 94 | Very high | 66 Ų | 66 | 81.5 Ų | 81.5 | 68% | 0.68 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -74.6 | -37.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | A174 S175 L176 G180 | A174-G178 PolarHBondContact O-N 3.46Å; S175-G178 PolarHBondContact O-N 3.33Å; L176-G178 VanDerWaalsContact C-N 3.33Å; G178-G180 VanDerWaalsContact C-N 3.31Å |
| 179 | A | 96.3 | Very high | 93.6 | Very high | 83 Ų | 83 | 84.3 Ų | 84.3 | 69% | 0.686 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -80.3 | -8.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S175 L176 A181 | S175-A179 WeakPolarHBondContact O-CB 3.02Å; S175-A179 PolarHBondContact O-N 2.64Å; L176-A179 PolarHBondContact O-N 2.87Å; A179-A181 PolarHBondContact O-N 2.88Å |
| 180 | G | 94.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 61% | 0.608 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 18.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L176 G178 L182 | L176-G180 PolarHBondContact O-N 3.49Å; L176-G180 VanDerWaalsContact O-N 3.1Å; G178-G180 VanDerWaalsContact C-N 3.31Å; G180-L182 PolarHBondContact O-N 3.15Å |
| 181 | A | 95.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 84.6 Ų | 84.6 | 56% | 0.562 | 53% | 0.531 | S | S | * | . | trans | -74.1 | -15.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L176 A179 | L176-A181 HydrophobicContact CD2-CB 3.81Å; L176-A181 PolarHBondContact O-N 3.14Å; A179-A181 PolarHBondContact O-N 2.88Å | ||
| 182 | L | 92.1 | Very high | 93.1 | Very high | 70 Ų | 70 | 81.9 Ų | 81.9 | 37% | 0.366 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -105.8 | 130.6 | 176 | -65.7 | 171.4 | 0 | 0 | 0 | 110 | L173 L176 L177 G180 P184 | L173-L182 HydrophobicContact CD1-CD1 3.66Å; L176-L182 HydrophobicContact CB-CD1 3.7Å; L176-L182 HydrophobicContact CB-CG 3.89Å; L176-L182 HydrophobicContact CD1-CD1 4.1Å; L176-L182 HydrophobicContact CD1-CD2 4.48Å; L176-L182 HydrophobicContact CD1-CG 4.37Å; L177-L182 HydrophobicContact CD2-CD1 4.35Å; L177-L182 HydrophobicContact CG-CD1 4.46Å; G180-L182 PolarHBondContact O-N 3.15Å; L182-P184 WeakPolarHBondContact O-CD 3.47Å |
| 183 | R | 90.7 | Very high | 93 | Very high | 240 Ų | 240 | 81.7 Ų | 81.7 | 91% | 0.906 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 118.6 | 166.9 | -166.5 | 173.5 | 80.1 | 163.7 | 3.6 | 108.4 | ||
| 184 | P | 86.6 | Confident | 93 | Very high | 88 Ų | 88 | 81 Ų | 81 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 136.2 | 179.7 | -21.2 | 32.6 | 0 | 0 | 0 | 110.4 | L182 | L182-P184 WeakPolarHBondContact O-CD 3.47Š|
| 185 | P | 89.4 | Confident | 93 | Very high | 68 Ų | 68 | 82.1 Ų | 82.1 | 44% | 0.442 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 154.7 | 170.7 | 29.3 | -34.1 | 0 | 0 | 0 | 110 | G187 P190 | P185-G187 PolarHBondContact O-N 3.42Å; P185-P190 HydrophobicContact CG-CG 4.34Å |
| 186 | P | 91.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 79.3 Ų | 79.3 | 88% | 0.877 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -60.5 | 137.5 | 170.6 | 27.2 | -33.5 | 0 | 0 | 0 | 109.8 | ||
| 187 | G | 91.3 | Very high | 93.2 | Very high | 82 Ų | 82 | 82.4 Ų | 82.4 | 85% | 0.845 | 50% | 0.5 | S | S | * | . | S | Bend | trans | 99.8 | -125.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | P185 | P185-G187 PolarHBondContact O-N 3.42Š|
| 188 | S | 88.8 | Confident | 93.4 | Very high | 102 Ų | 102 | 82.4 Ų | 82.4 | 71% | 0.713 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -85.8 | 144.4 | -171.3 | 59.5 | 0 | 0 | 0 | 0 | 113 | ||
| 189 | R | 90.3 | Very high | 93.6 | Very high | 168 Ų | 168 | 82.7 Ų | 82.7 | 63% | 0.634 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 135.2 | 174.4 | -170.7 | 177.3 | -177.6 | 172.9 | 4.2 | 109.9 | L177 I191 | L177-R189 PolarHBondContact O-NH2 2.9Å; L177-R189 VanDerWaalsContact O-NH2 3.16Å; R189-I191 PolarHBondContact O-N 3.06Å |
| 190 | P | 92.1 | Very high | 93.7 | Very high | 49 Ų | 49 | 87.3 Ų | 87.3 | 32% | 0.318 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -58 | 136.5 | 172.9 | -23.8 | 33.4 | 0 | 0 | 0 | 111.8 | L173 L177 P185 | L173-P190 HydrophobicContact CD2-CB 4.21Å; L177-P190 HydrophobicContact CD1-CB 4.43Å; P185-P190 HydrophobicContact CG-CG 4.34Å |
| 191 | I | 93.1 | Very high | 93.9 | Very high | 108 Ų | 108 | 88.5 Ų | 88.5 | 55% | 0.554 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -89.1 | 123.4 | 178 | -55.3 | 176.8 | 0 | 0 | 0 | 108.3 | R189 Q193 | R189-I191 PolarHBondContact O-N 3.06Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 HydrophobicContact CG2-CG 4.06Å; I191-Q193 WeakPolarHBondContact CG2-O 3.49Å; I191-Q193 PolarHBondContact O-N 3.45Å |
| 192 | S | 93.8 | Very high | 94 | Very high | 31 Ų | 31 | 88 Ų | 88 | 22% | 0.217 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -96.4 | 26.7 | -178.2 | 59.7 | 0 | 0 | 0 | 0 | 114.1 | R166 D170 | R166-S192 WeakPolarHBondContact CD-O 3.49Å; D170-S192 WeakPolarHBondContact CB-O 3.05Å |
| 193 | Q | 94 | Very high | 94.3 | Very high | 65 Ų | 65 | 87 Ų | 87 | 30% | 0.304 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -151.8 | 150.3 | 173.2 | 63.2 | 178.7 | -1.6 | 0 | 0 | 109.2 | S161 R166 I191 | S161-Q193 PolarHBondContact OG-OE1 3.28Å; R166-Q193 HydrophobicContact CG-CB 4.12Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 HydrophobicContact CG2-CG 4.06Å; I191-Q193 WeakPolarHBondContact CG2-O 3.49Å; I191-Q193 PolarHBondContact O-N 3.45Å |
| 194 | P | 96.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 76.2 Ų | 76.2 | 7% | 0.071 | 43% | 0.425 | C | S | . | . | trans | -54.5 | 147.9 | 170.3 | -26.1 | 34.5 | 0 | 0 | 0 | 111.7 | C162 A165 C226 L227 | C162-P194 HydrophobicContact CB-CB 4.01Å; C162-P194 VanDerWaalsContact CB-O 3.24Å; C162-P194 WeakPolarHBondContact CB-O 3.18Å; A165-P194 HydrophobicContact CB-CG 4.44Å; P194-C226 HydrophobicContact CB-CB 4.2Å; P194-L227 CarbonylContact C-O 3.56Å | ||
| 195 | C | 96.4 | Very high | 95.2 | Very high | 51 Ų | 51 | 75 Ų | 75 | 35% | 0.345 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.3 | 177.2 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | R197 L227 | C195-R197 HydrophobicContact CB-CG 3.95Å; C195-R197 PolarHBondContact O-N 3.44Å; C195-L227 PolarHBondContact N-O 2.92Å; C195-L227 PolarHBondContact O-N 3.12Å |
| 196 | C | 97.6 | Very high | 95.5 | Very high | 23 Ų | 23 | 71.7 Ų | 71.7 | 16% | 0.155 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 106.6 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | C131 | C131-C196 WeakPolarHBondContact CA-SG 3.01Å; C131-C196 HydrophobicContact CB-CB 3.71Å; C131-C196 WeakPolarHBondContact CB-SG 3.41Å; C131-C196 WeakPolarHBondContact SG-CA 3.44Å; C131-C196 WeakPolarHBondContact SG-CB 3.38Å; C131-C196 CovalentContact SG-SG 2.04Å; C131-C196 PolarHBondContact SG-SG 2.91Å |
| 197 | R | 98.3 | Very high | 95.8 | Very high | 141 Ų | 141 | 68.8 Ų | 68.8 | 53% | 0.532 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 153.2 | -172.6 | -67.1 | -69.2 | -72.8 | 161.1 | -4.5 | 111.7 | C195 C224 G225 L227 | C195-R197 HydrophobicContact CB-CG 3.95Å; C195-R197 PolarHBondContact O-N 3.44Å; R197-C224 WeakPolarHBondContact O-CA 3.32Å; R197-G225 PolarHBondContact N-O 3.36Å; R197-G225 PolarHBondContact O-N 3.48Å; R197-L227 HydrophobicContact CB-CD1 3.95Å; R197-L227 HydrophobicContact CB-CG 4.43Å |
| 198 | P | 98.4 | Very high | 96 | Very high | 23 Ų | 23 | 65.8 Ų | 65.8 | 15% | 0.149 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 140.7 | 172.5 | -18.4 | 31.7 | 0 | 0 | 0 | 111.7 | C158 Y201 A221 A223 | C158-P198 HydrophobicContact CB-CG 4.36Å; C158-P198 VanDerWaalsContact SG-CA 3.51Å; P198-Y201 HydrophobicContact CB-CE1 3.82Å; P198-Y201 HydrophobicContact CB-CE2 4.08Å; P198-Y201 HydrophobicContact CG-CE1 4.04Å; P198-A221 HydrophobicContact CB-CB 3.82Å; P198-A221 HydrophobicContact CG-CB 4.02Å; P198-A223 WeakPolarHBondContact CA-O 3.5Å |
| 199 | T | 98.3 | Very high | 96.3 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 44% | 0.436 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -18.2 | 173.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | A223 L227 | T199-A223 PolarHBondContact N-O 3.44Å; T199-A223 WeakPolarHBondContact OG1-CB 3.21Å; T199-A223 PolarHBondContact OG1-O 3.47Å; T199-L227 HydrophobicContact CG2-CD1 4.44Å |
| 200 | R | 98.4 | Very high | 96.5 | Very high | 180 Ų | 180 | 63.4 Ų | 63.4 | 68% | 0.679 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.7 | 177.1 | -64.4 | -173.5 | -177.6 | -133.5 | 0.1 | 110.5 | A221 T222 A223 | R200-A221 WeakPolarHBondContact O-CA 3.41Å; R200-T222 WeakPolarHBondContact CB-OG1 3.24Å; R200-T222 PolarHBondContact O-N 3.16Å; R200-T222 PolarHBondContact O-OG1 3.46Å; R200-A223 HydrophobicContact CB-CB 4.24Å; R200-A223 HydrophobicContact CG-CB 4.44Å |
| 201 | Y | 98.8 | Very high | 96.7 | Very high | 84 Ų | 84 | 65.1 Ų | 65.1 | 33% | 0.329 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 158.4 | -178.9 | -60.5 | -94.4 | 0 | 0 | 0 | 111.5 | P198 R218 S220 | P198-Y201 HydrophobicContact CB-CE1 3.82Å; P198-Y201 HydrophobicContact CB-CE2 4.08Å; P198-Y201 HydrophobicContact CG-CE1 4.04Å; Y201-R218 VanDerWaalsContact CD1-O 3.27Å; Y201-R218 WeakPolarHBondContact CD1-O 3.26Å; Y201-R218 HydrophobicContact CG-CB 4.12Å; Y201-S220 CarbonylContact C-O 3.58Å; Y201-S220 WeakPolarHBondContact CA-O 3.49Å |
| 202 | E | 98.4 | Very high | 96.8 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 28% | 0.276 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 156.2 | 170.3 | 68 | -164.7 | 160.4 | 0 | 0 | 110.1 | R156 L219 S220 T222 | R156-E202 IonicContact CZ-OE1 3.61Å; R156-E202 IonicContact NE-OE1 4Å; R156-E202 VanDerWaalsContact NH1-CD 3.32Å; R156-E202 IonicContact NH1-OE1 2.63Å; R156-E202 PolarHBondContact NH1-OE1 2.64Å; R156-E202 IonicContact NH1-OE2 3.24Å; R156-E202 PolarHBondContact NH1-OE2 3.41Å; E202-L219 PolarHBondContact O-N 3.1Å; E202-L219 VanDerWaalsContact O-N 3.1Å; E202-S220 PolarHBondContact N-O 3.18Å; E202-S220 PolarHBondContact O-N 3.25Å; E202-S220 WeakPolarHBondContact OE1-CB 3.47Å; E202-S220 PolarHBondContact OE1-OG 2.77Å; E202-T222 HydrophobicContact CB-CG2 3.64Å; E202-T222 HydrophobicContact CG-CG2 3.82Å |
| 203 | A | 98.3 | Very high | 97 | Very high | 47 Ų | 47 | 69.7 Ų | 69.7 | 39% | 0.388 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 154.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T215 V216 | A203-T215 HydrophobicContact CB-CG2 3.91Å; A203-V216 WeakPolarHBondContact CA-O 3.45Å |
| 204 | V | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 71.5 Ų | 71.5 | 9% | 0.085 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 125.6 | 173.6 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | V153 T215 V216 L219 | V153-V204 HydrophobicContact CB-CG1 3.67Å; V153-V204 HydrophobicContact CG1-CG1 3.64Å; V153-V204 HydrophobicContact CG2-CG1 4.04Å; V204-T215 WeakPolarHBondContact O-CA 3.13Å; V204-V216 PolarHBondContact N-O 2.82Å; V204-V216 PolarHBondContact O-N 2.97Å; V204-L219 HydrophobicContact CB-CB 4.42Å; V204-L219 HydrophobicContact CB-CD2 3.89Å; V204-L219 HydrophobicContact CG1-CD2 4.41Å; V204-L219 HydrophobicContact CG2-CB 4.09Å; V204-L219 HydrophobicContact CG2-CD2 4.01Å; V204-L219 HydrophobicContact CG2-CG 4.37Å |
| 205 | S | 97.4 | Very high | 97.2 | Very high | 62 Ų | 62 | 74.9 Ų | 74.9 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 142.7 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | R214 T215 | S205-R214 CarbonylContact C-O 3.52Å; S205-R214 WeakPolarHBondContact CA-O 3.46Å; S205-T215 WeakPolarHBondContact OG-CG2 3.46Å; S205-T215 PolarHBondContact OG-OG1 2.76Å |
| 206 | F | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 166.1 | 179.6 | 58 | -92.8 | 0 | 0 | 0 | 109.4 | V140 H147 E151 V153 R214 V216 | V140-F206 HydrophobicContact CB-CD2 4.41Å; V140-F206 HydrophobicContact CB-CG 4.45Å; V140-F206 HydrophobicContact CG1-CD1 4.08Å; V140-F206 HydrophobicContact CG1-CD2 3.78Å; V140-F206 HydrophobicContact CG1-CE1 3.86Å; V140-F206 HydrophobicContact CG1-CE2 3.56Å; V140-F206 HydrophobicContact CG1-CG 4.05Å; V140-F206 HydrophobicContact CG1-CZ 3.61Å; V140-F206 HydrophobicContact CG2-CB 3.89Å; V140-F206 HydrophobicContact CG2-CD1 3.83Å; V140-F206 HydrophobicContact CG2-CD2 4.03Å; V140-F206 HydrophobicContact CG2-CE1 4.41Å; V140-F206 HydrophobicContact CG2-CG 3.62Å; H147-F206 HydrophobicContact CB-CE2 3.82Å; H147-F206 HydrophobicContact CB-CZ 3.79Å; H147-F206 AromaticContact CD2-CZ 3.52Å; H147-F206 AromaticContact CG-CE2 3.87Å; H147-F206 AromaticContact CG-CZ 3.48Å; H147-F206 VanDerWaalsContact CG-CZ 3.48Å; H147-F206 AromaticContact ND1-CZ 3.94Å; H147-F206 AromaticContact NE2-CZ 3.99Å; E151-F206 HydrophobicContact CB-CB 4.44Å; E151-F206 HydrophobicContact CG-CB 4.48Å; E151-F206 VanDerWaalsContact OE2-CA 3.25Å; E151-F206 WeakPolarHBondContact OE2-CA 3.45Å; E151-F206 VanDerWaalsContact OE2-CB 3.26Å; E151-F206 WeakPolarHBondContact OE2-CB 3.32Å; V153-F206 HydrophobicContact CG1-CB 4.1Å; F206-R214 HydrophobicContact CD2-CB 4.33Å; F206-R214 HydrophobicContact CE1-CB 4.48Å; F206-R214 HydrophobicContact CE2-CB 3.75Å; F206-R214 HydrophobicContact CE2-CG 4.21Å; F206-R214 HydrophobicContact CZ-CB 3.83Å; F206-R214 PolarHBondContact N-O 2.81Å; F206-R214 PolarHBondContact O-N 3.21Å; F206-V216 HydrophobicContact CE1-CG2 4.07Å; F206-V216 HydrophobicContact CZ-CG2 4.44Å |
| 207 | M | 96.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 78.8 Ų | 78.8 | 37% | 0.365 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.6 | 176.6 | -163.4 | 170.4 | 66.6 | 0 | 0 | 110.7 | S149 E151 W213 | S149-M207 VanDerWaalsContact CB-O 3.29Å; S149-M207 WeakPolarHBondContact CB-O 2.94Å; S149-M207 PolarHBondContact OG-O 3.48Å; E151-M207 PolarHBondContact OE2-N 2.89Å; M207-W213 HydrophobicContact CB-CE3 4.47Å |
| 208 | D | 94.8 | Very high | 97.3 | Very high | 19 Ų | 19 | 80.8 Ų | 80.8 | 10% | 0.102 | 41% | 0.407 | C | S | . | . | trans | -84.1 | 175.5 | 176.2 | 69.3 | 22.7 | 0 | 0 | 0 | 112.9 | N210 S211 T212 R214 | D208-N210 PolarHBondContact O-N 3.17Å; D208-N210 VanDerWaalsContact O-N 3.13Å; D208-N210 WeakPolarHBondContact OD1-CA 3.39Å; D208-N210 WeakPolarHBondContact OD1-CB 3.24Å; D208-N210 PolarHBondContact OD1-N 2.98Å; D208-S211 PolarHBondContact O-N 3.16Å; D208-S211 PolarHBondContact OD1-N 3Å; D208-T212 PolarHBondContact N-O 3.37Å; D208-T212 WeakPolarHBondContact OD1-CB 3.39Å; D208-T212 PolarHBondContact OD1-N 3.35Å; D208-R214 HydrophobicContact CB-CG 4.26Å; D208-R214 IonicContact OD2-CZ 3.47Å; D208-R214 IonicContact OD2-NE 2.86Å; D208-R214 PolarHBondContact OD2-NE 3.01Å; D208-R214 IonicContact OD2-NH2 3.16Å; D208-R214 PolarHBondContact OD2-NH2 2.96Å; D208-R214 VanDerWaalsContact OD2-NH2 3.16Å | ||
| 209 | V | 95.7 | Very high | 97.3 | Very high | 97 Ų | 97 | 81.1 Ų | 81.1 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.4 | 177.2 | -71.9 | 0 | 0 | 0 | 0 | 114.1 | R148 S211 | R148-V209 HydrophobicContact CB-CG1 4.22Å; R148-V209 HydrophobicContact CB-CG2 4.32Å; R148-V209 WeakPolarHBondContact O-CG1 3.05Å; R148-V209 PolarHBondContact O-N 3.48Å; V209-S211 VanDerWaalsContact C-N 3.27Å |
| 210 | N | 95.1 | Very high | 97.3 | Very high | 123 Ų | 123 | 77.8 Ų | 77.8 | 66% | 0.658 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 15.9 | 178.2 | -61.2 | -29.2 | 0 | 0 | 0 | 111.6 | D208 T212 | D208-N210 PolarHBondContact O-N 3.17Å; D208-N210 VanDerWaalsContact O-N 3.13Å; D208-N210 WeakPolarHBondContact OD1-CA 3.39Å; D208-N210 WeakPolarHBondContact OD1-CB 3.24Å; D208-N210 PolarHBondContact OD1-N 2.98Å; N210-T212 PolarHBondContact O-N 3.1Å |
| 211 | S | 95.1 | Very high | 97.3 | Very high | 85 Ų | 85 | 69.3 Ų | 69.3 | 59% | 0.594 | 36% | 0.355 | S | S | * | . | S | Bend | trans | 57.3 | 28.6 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | D208 V209 | D208-S211 PolarHBondContact O-N 3.16Å; D208-S211 PolarHBondContact OD1-N 3Å; V209-S211 VanDerWaalsContact C-N 3.27Å |
| 212 | T | 96.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 68 Ų | 68 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | trans | -100 | 132.2 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | D208 N210 R214 | D208-T212 PolarHBondContact N-O 3.37Å; D208-T212 WeakPolarHBondContact OD1-CB 3.39Å; D208-T212 PolarHBondContact OD1-N 3.35Å; N210-T212 PolarHBondContact O-N 3.1Å; T212-R214 PolarHBondContact O-N 2.95Å | ||
| 213 | W | 96.7 | Very high | 97.3 | Very high | 176 Ų | 176 | 66.7 Ų | 66.7 | 67% | 0.667 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 130.4 | 173.6 | -72.9 | 103.7 | 0 | 0 | 0 | 111.2 | M207 | M207-W213 HydrophobicContact CB-CE3 4.47Å |
| 214 | R | 97.3 | Very high | 97.3 | Very high | 104 Ų | 104 | 66.1 Ų | 66.1 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 144.7 | 174.1 | -57.1 | -60.8 | 179.2 | 178.5 | -2.6 | 108.9 | S205 F206 D208 T212 | S205-R214 CarbonylContact C-O 3.52Å; S205-R214 WeakPolarHBondContact CA-O 3.46Å; F206-R214 HydrophobicContact CD2-CB 4.33Å; F206-R214 HydrophobicContact CE1-CB 4.48Å; F206-R214 HydrophobicContact CE2-CB 3.75Å; F206-R214 HydrophobicContact CE2-CG 4.21Å; F206-R214 HydrophobicContact CZ-CB 3.83Å; F206-R214 PolarHBondContact N-O 2.81Å; F206-R214 PolarHBondContact O-N 3.21Å; D208-R214 HydrophobicContact CB-CG 4.26Å; D208-R214 IonicContact OD2-CZ 3.47Å; D208-R214 IonicContact OD2-NE 2.86Å; D208-R214 PolarHBondContact OD2-NE 3.01Å; D208-R214 IonicContact OD2-NH2 3.16Å; D208-R214 PolarHBondContact OD2-NH2 2.96Å; D208-R214 VanDerWaalsContact OD2-NH2 3.16Å; T212-R214 PolarHBondContact O-N 2.95Å |
| 215 | T | 97.6 | Very high | 97.2 | Very high | 81 Ų | 81 | 66.3 Ų | 66.3 | 50% | 0.497 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.2 | 175.5 | -60.2 | 0 | 0 | 0 | 0 | 108.6 | A203 V204 S205 | A203-T215 HydrophobicContact CB-CG2 3.91Å; V204-T215 WeakPolarHBondContact O-CA 3.13Å; S205-T215 WeakPolarHBondContact OG-CG2 3.46Å; S205-T215 PolarHBondContact OG-OG1 2.76Å |
| 216 | V | 97.9 | Very high | 97.2 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 116 | 173.4 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L145 A203 V204 F206 L219 | L145-V216 HydrophobicContact CD1-CG1 4.03Å; L145-V216 HydrophobicContact CD1-CG2 4.18Å; A203-V216 WeakPolarHBondContact CA-O 3.45Å; V204-V216 PolarHBondContact N-O 2.82Å; V204-V216 PolarHBondContact O-N 2.97Å; F206-V216 HydrophobicContact CE1-CG2 4.07Å; F206-V216 HydrophobicContact CZ-CG2 4.44Å; V216-L219 HydrophobicContact CB-CB 4.43Å; V216-L219 HydrophobicContact CB-CD2 4.3Å; V216-L219 HydrophobicContact CG1-CB 4.13Å; V216-L219 HydrophobicContact CG1-CD1 4.38Å; V216-L219 HydrophobicContact CG1-CD2 4.42Å |
| 217 | D | 98.3 | Very high | 97.2 | Very high | 127 Ų | 127 | 70 Ų | 70 | 68% | 0.679 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.6 | 179.3 | -70.2 | -34.4 | 0 | 0 | 0 | 112.1 | L219 | D217-L219 PolarHBondContact O-N 3.32Å; D217-L219 VanDerWaalsContact O-N 3.14Å |
| 218 | R | 98 | Very high | 96.7 | Very high | 182 Ų | 182 | 72.8 Ų | 72.8 | 69% | 0.687 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53 | 32.9 | 175.2 | -58.6 | 179.1 | 59.1 | 169.9 | -1.5 | 114.7 | Y201 | Y201-R218 VanDerWaalsContact CD1-O 3.27Å; Y201-R218 WeakPolarHBondContact CD1-O 3.26Å; Y201-R218 HydrophobicContact CG-CB 4.12Å |
| 219 | L | 97.9 | Very high | 96.8 | Very high | 31 Ų | 31 | 75.5 Ų | 75.5 | 16% | 0.162 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -43.2 | -177 | -175.2 | 63.6 | 0 | 0 | 0 | 112.8 | L143 L145 F155 E202 V204 V216 D217 | L143-L219 HydrophobicContact CD1-CD2 3.78Å; L145-L219 HydrophobicContact CD1-CD1 3.9Å; L145-L219 HydrophobicContact CD1-CD2 4.31Å; F155-L219 HydrophobicContact CD2-CG 4.43Å; F155-L219 HydrophobicContact CE2-CD1 4.4Å; F155-L219 HydrophobicContact CE2-CG 4.25Å; F155-L219 WeakPolarHBondContact CE2-O 3.25Å; E202-L219 PolarHBondContact O-N 3.1Å; E202-L219 VanDerWaalsContact O-N 3.1Å; V204-L219 HydrophobicContact CB-CB 4.42Å; V204-L219 HydrophobicContact CB-CD2 3.89Å; V204-L219 HydrophobicContact CG1-CD2 4.41Å; V204-L219 HydrophobicContact CG2-CB 4.09Å; V204-L219 HydrophobicContact CG2-CD2 4.01Å; V204-L219 HydrophobicContact CG2-CG 4.37Å; V216-L219 HydrophobicContact CB-CB 4.43Å; V216-L219 HydrophobicContact CB-CD2 4.3Å; V216-L219 HydrophobicContact CG1-CB 4.13Å; V216-L219 HydrophobicContact CG1-CD1 4.38Å; V216-L219 HydrophobicContact CG1-CD2 4.42Å; D217-L219 PolarHBondContact O-N 3.32Å; D217-L219 VanDerWaalsContact O-N 3.14Å |
| 220 | S | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.2 | -172.6 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | R156 Y201 E202 | R156-S220 VanDerWaalsContact CB-OG 3.3Å; R156-S220 WeakPolarHBondContact CB-OG 3.45Å; R156-S220 PolarHBondContact N-OG 3.19Å; Y201-S220 CarbonylContact C-O 3.58Å; Y201-S220 WeakPolarHBondContact CA-O 3.49Å; E202-S220 PolarHBondContact N-O 3.18Å; E202-S220 PolarHBondContact O-N 3.25Å; E202-S220 WeakPolarHBondContact OE1-CB 3.47Å; E202-S220 PolarHBondContact OE1-OG 2.77Å |
| 221 | A | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 2% | 0.017 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 142.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L133 R156 P198 R200 | L133-A221 HydrophobicContact CD1-CB 3.82Å; L133-A221 WeakPolarHBondContact CD1-O 3.33Å; R156-A221 WeakPolarHBondContact CB-O 3.49Å; R156-A221 VanDerWaalsContact CD-O 3.25Å; R156-A221 WeakPolarHBondContact CD-O 3.46Å; R156-A221 WeakPolarHBondContact O-CB 3.43Å; R156-A221 PolarHBondContact O-N 2.93Å; P198-A221 HydrophobicContact CB-CB 3.82Å; P198-A221 HydrophobicContact CG-CB 4.02Å; R200-A221 WeakPolarHBondContact O-CA 3.41Å |
| 222 | T | 98.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 70.9 Ų | 70.9 | 35% | 0.35 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | -17.8 | 175.3 | 51.8 | 0 | 0 | 0 | 0 | 113.8 | L133 R200 E202 | L133-T222 WeakPolarHBondContact CD2-O 3.37Å; R200-T222 WeakPolarHBondContact CB-OG1 3.24Å; R200-T222 PolarHBondContact O-N 3.16Å; R200-T222 PolarHBondContact O-OG1 3.46Å; E202-T222 HydrophobicContact CB-CG2 3.64Å; E202-T222 HydrophobicContact CG-CG2 3.82Å |
| 223 | A | 98.3 | Very high | 97.1 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 151.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P198 T199 R200 | P198-A223 WeakPolarHBondContact CA-O 3.5Å; T199-A223 PolarHBondContact N-O 3.44Å; T199-A223 WeakPolarHBondContact OG1-CB 3.21Å; T199-A223 PolarHBondContact OG1-O 3.47Å; R200-A223 HydrophobicContact CB-CB 4.24Å; R200-A223 HydrophobicContact CG-CB 4.44Å |
| 224 | C | 98.3 | Very high | 97.2 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.5 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 110.9 | L133 C158 R197 | L133-C224 WeakPolarHBondContact CA-SG 3.18Å; L133-C224 VanDerWaalsContact CD1-SG 3.52Å; L133-C224 PolarHBondContact N-SG 3.31Å; C158-C224 WeakPolarHBondContact CA-SG 3.26Å; C158-C224 HydrophobicContact CB-CB 3.81Å; C158-C224 WeakPolarHBondContact CB-SG 3.49Å; C158-C224 WeakPolarHBondContact SG-CA 3.48Å; C158-C224 WeakPolarHBondContact SG-CB 3.23Å; C158-C224 CovalentContact SG-SG 2.03Å; C158-C224 PolarHBondContact SG-SG 3.43Å; R197-C224 WeakPolarHBondContact O-CA 3.32Å |
| 225 | G | 97.6 | Very high | 97.1 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 18% | 0.175 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 162.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | C131 R197 | C131-G225 PolarHBondContact SG-O 3Å; R197-G225 PolarHBondContact N-O 3.36Å; R197-G225 PolarHBondContact O-N 3.48Å |
| 226 | C | 97.6 | Very high | 97.1 | Very high | 51 Ų | 51 | 60.5 Ų | 60.5 | 35% | 0.345 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 109.2 | 169.9 | -69.5 | 0 | 0 | 0 | 0 | 108.6 | C162 A165 P194 | C162-C226 VanDerWaalsContact CA-SG 3.52Å; C162-C226 HydrophobicContact CB-CB 3.63Å; C162-C226 WeakPolarHBondContact CB-SG 3.32Å; C162-C226 WeakPolarHBondContact SG-CA 3.47Å; C162-C226 WeakPolarHBondContact SG-CB 3.43Å; C162-C226 CovalentContact SG-SG 2.03Å; C162-C226 PolarHBondContact SG-SG 3.47Å; A165-C226 HydrophobicContact CB-CB 3.89Å; P194-C226 HydrophobicContact CB-CB 4.2Å |
| 227 | L | 95.8 | Very high | 97 | Very high | 89 Ų | 89 | 63 Ų | 63 | 47% | 0.466 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 125.8 | -177.2 | -54.9 | -179.4 | 0 | 0 | 0 | 108.6 | P194 C195 R197 T199 | P194-L227 CarbonylContact C-O 3.56Å; C195-L227 PolarHBondContact N-O 2.92Å; C195-L227 PolarHBondContact O-N 3.12Å; R197-L227 HydrophobicContact CB-CD1 3.95Å; R197-L227 HydrophobicContact CB-CG 4.43Å; T199-L227 HydrophobicContact CG2-CD1 4.44Å |
| 228 | G | 87.4 | Confident | 96.9 | Very high | 133 Ų | 133 | 57.2 Ų | 57.2 | 100% | 1.371 | 37% | 0.37 | S | S | * | . | trans | -123.1 | 0 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 228 of 228 residues in 639.2 ms
(Link to these results)