| 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 | 36.9 | Very low | 32.7 | Very low | 254 Ų | 254 | 149 Ų | 149 | 100% | 1.251 | 86% | 0.863 | S | S | * | * | 0 | 129.1 | 0 | -66.3 | -177.1 | -146.8 | 0 | 0 | 107.5 | |||||
| 2 | G | 38.2 | Very low | 32.2 | Very low | 78 Ų | 78 | 142.3 Ų | 142.3 | 80% | 0.804 | 85% | 0.851 | S | S | * | * | trans | 95.7 | 71.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | N | 28.8 | Very low | 31.9 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 81% | 0.807 | 86% | 0.859 | S | S | * | * | trans | -66.9 | 155.5 | 154.7 | -67.1 | -2.6 | 0 | 0 | 0 | 110 | ||||
| 4 | T | 37.8 | Very low | 31.6 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 91% | 0.914 | 85% | 0.85 | S | S | * | * | -156.1 | 140.9 | 111.3 | 49.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 5 | S | 35.7 | Very low | 31.6 | Very low | 110 Ų | 110 | 144.9 Ų | 144.9 | 77% | 0.769 | 85% | 0.852 | S | S | * | * | trans | -112.5 | 157.2 | -177.6 | 42.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | S | 33.7 | Very low | 31.6 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 86% | 0.86 | 86% | 0.855 | S | S | * | * | trans | -164.4 | 131.2 | 137.1 | -161.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 7 | E | 30.7 | Very low | 31.5 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 79% | 0.79 | 86% | 0.857 | S | S | * | * | trans | -102.5 | 169 | 172.5 | -74.5 | -175 | 110 | 0 | 0 | 111.9 | ||||
| 8 | R | 31 | Very low | 31.7 | Very low | 232 Ų | 232 | 149.1 Ų | 149.1 | 88% | 0.875 | 86% | 0.86 | S | S | * | * | trans | 77.5 | 145.5 | 147.7 | -95.3 | 176 | 171.8 | 176.3 | -1.5 | 118.3 | ||||
| 9 | A | 29.4 | Very low | 31.6 | Very low | 87 Ų | 87 | 154.7 Ų | 154.7 | 72% | 0.719 | 87% | 0.866 | S | S | * | * | cis | -164.5 | 142.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 10 | A | 28.9 | Very low | 31.5 | Very low | 89 Ų | 89 | 158 Ų | 158 | 74% | 0.736 | 86% | 0.864 | S | S | * | * | 109.8 | 148.7 | 83.5 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 11 | M | 28.4 | Very low | 31.4 | Very low | 197 Ų | 197 | 156.6 Ų | 156.6 | 97% | 0.97 | 86% | 0.856 | S | S | * | * | trans | 84.9 | 130.8 | 167.2 | -49.9 | -163.8 | 176.2 | 0 | 0 | 117.1 | ||||
| 12 | G | 27.2 | Very low | 31.2 | Very low | 69 Ų | 69 | 148.8 Ų | 148.8 | 71% | 0.711 | 83% | 0.826 | S | S | * | * | cis | 175.9 | 165 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 13 | H | 27.6 | Very low | 30.9 | Very low | 206 Ų | 206 | 157.2 Ų | 157.2 | 95% | 0.954 | 83% | 0.834 | S | S | * | * | trans | 64.5 | 128.9 | 157.1 | -87.2 | -79.3 | 0 | 0 | 0 | 123.4 | ||||
| 14 | G | 28.6 | Very low | 30.8 | Very low | 72 Ų | 72 | 153.4 Ų | 153.4 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | 157 | 73.8 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 15 | E | 31 | Very low | 30.5 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | 18.4 | 115.9 | 152.5 | -59.8 | -178.8 | 124.7 | 0 | 0 | 121.5 | ||||
| 16 | K | 30.9 | Very low | 30.2 | Very low | 208 Ų | 208 | 156.5 Ų | 156.5 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | 54.6 | 114 | 87.5 | -88.8 | -169.4 | -179 | 176.1 | 0 | 117.1 | |||||
| 17 | A | 30.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 158 Ų | 158 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | -165.5 | 110 | 122.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 18 | Q | 35.3 | Very low | 29.9 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -134.3 | 124.7 | 159.6 | -152.1 | -176.6 | 11.3 | 0 | 0 | 104.9 | ||||
| 19 | R | 28.9 | Very low | 29.9 | Very low | 255 Ų | 255 | 151.9 Ų | 151.9 | 96% | 0.962 | 82% | 0.818 | S | S | * | * | trans | -156.3 | 141 | 158 | -113.7 | 176.9 | -170.6 | -175.1 | 1.5 | 111.4 | ||||
| 20 | R | 29.9 | Very low | 30.3 | Very low | 220 Ų | 220 | 158.7 Ų | 158.7 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -107 | 175.1 | -169.2 | -146.2 | -169.9 | -159 | -151.1 | 5.4 | 109.4 | ||||
| 21 | D | 29.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 160.6 Ų | 160.6 | 69% | 0.69 | 83% | 0.83 | S | S | * | * | trans | 96.4 | 144.3 | 157 | -62.6 | -36.3 | 0 | 0 | 0 | 117.6 | ||||
| 22 | S | 32.2 | Very low | 31.1 | Very low | 91 Ų | 91 | 160.5 Ų | 160.5 | 64% | 0.636 | 82% | 0.824 | S | S | * | * | cis | 171.3 | 149.6 | -17.4 | -90.5 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 23 | R | 32 | Very low | 32 | Very low | 255 Ų | 255 | 165.3 Ų | 165.3 | 96% | 0.962 | 83% | 0.832 | S | S | * | * | trans | 120.3 | 130.9 | 146.1 | -65.8 | -178.5 | 177 | -178.7 | -1.2 | 120.4 | ||||
| 24 | G | 27.8 | Very low | 32.4 | Very low | 71 Ų | 71 | 163.2 Ų | 163.2 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 118.2 | 84.8 | 142.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 25 | I | 30.1 | Very low | 33.3 | Very low | 161 Ų | 161 | 167.9 Ų | 167.9 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | 68.7 | 122.9 | 85.5 | -50.1 | 178.7 | 0 | 0 | 0 | 117.9 | |||||
| 26 | K | 30.8 | Very low | 33.5 | Very low | 163 Ų | 163 | 165.7 Ų | 165.7 | 71% | 0.709 | 83% | 0.826 | S | S | * | * | trans | 129.7 | 141.3 | 138.9 | -76.1 | -163 | 170.9 | -122 | 0 | 112.9 | ||||
| 27 | E | 27.6 | Very low | 33.7 | Very low | 154 Ų | 154 | 161.4 Ų | 161.4 | 72% | 0.72 | 82% | 0.822 | S | S | * | * | cis | -174.1 | 151.1 | -2.5 | -120.4 | 168.3 | -162.5 | 0 | 0 | 107.4 | ||||
| 28 | G | 29.2 | Very low | 34.6 | Very low | 76 Ų | 76 | 162.3 Ų | 162.3 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | trans | 72.8 | 143.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 29 | E | 31.2 | Very low | 34.9 | Very low | 196 Ų | 196 | 161.3 Ų | 161.3 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | cis | -154.3 | 166.2 | 10.7 | -80.7 | -172 | 127 | 0 | 0 | 109.3 | ||||
| 30 | R | 38.4 | Very low | 35.5 | Very low | 230 Ų | 230 | 156.4 Ų | 156.4 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -51.8 | 146 | -177.6 | -58.5 | 167.8 | 177.3 | 178.2 | -2.2 | 114.4 | K32 | R30-K32 PolarHBondContact O-N 2.89Š| ||
| 31 | P | 37 | Very low | 36 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 114.7 | 159.2 | 29.7 | -27.3 | 0 | 0 | 0 | 109.4 | ||||
| 32 | K | 36.3 | Very low | 36.7 | Very low | 196 Ų | 196 | 151 Ų | 151 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | trans | -70.7 | 121.6 | 165.6 | -74.7 | 175.3 | -179.7 | 173.3 | 0 | 107.9 | R30 L34 | R30-K32 PolarHBondContact O-N 2.89Å; K32-L34 PolarHBondContact O-N 3.15Å | ||
| 33 | I | 46.2 | Very low | 37.2 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.808 | S | S | * | * | trans | -69.5 | 108.8 | 163.3 | -60.8 | 167 | 0 | 0 | 0 | 105.6 | ||||
| 34 | L | 36.4 | Very low | 37.2 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -124 | 103.1 | 166.2 | -164.9 | 77.8 | 0 | 0 | 0 | 107.3 | K32 | K32-L34 PolarHBondContact O-N 3.15Š| ||
| 35 | M | 46.9 | Very low | 37.8 | Very low | 170 Ų | 170 | 155 Ų | 155 | 84% | 0.837 | 81% | 0.808 | S | S | * | * | trans | -93.3 | 108.5 | 165.8 | -176.7 | 152 | 144.7 | 0 | 0 | 105.3 | ||||
| 36 | D | 35.6 | Very low | 38.6 | Very low | 142 Ų | 142 | 151 Ų | 151 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | 175.7 | 106.9 | 152.4 | -98.4 | -15.4 | 0 | 0 | 0 | 110 | ||||
| 37 | S | 35.7 | Very low | 38.6 | Very low | 117 Ų | 117 | 152 Ų | 152 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -173.5 | 123.3 | 135 | -80.5 | 0 | 0 | 0 | 0 | 109.6 | E39 | S37-E39 PolarHBondContact O-N 3.02Š| ||
| 38 | P | 49.2 | Very low | 39.1 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -98.3 | 63.5 | -177.5 | 38.8 | -31.8 | 0 | 0 | 0 | 110.8 | ||||
| 39 | E | 41.9 | Very low | 39.7 | Very low | 175 Ų | 175 | 157.7 Ų | 157.7 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | trans | -145.9 | 81.1 | 178.4 | -64.2 | -171.5 | -173.5 | 0 | 0 | 109.8 | S37 | S37-E39 PolarHBondContact O-N 3.02Š| ||
| 40 | D | 40.8 | Very low | 39.9 | Very low | 152 Ų | 152 | 156.9 Ų | 156.9 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -157.4 | 34.6 | 162 | -112.9 | -9.2 | 0 | 0 | 0 | 111.3 | D42 | D40-D42 PolarHBondContact O-N 3.1Š| ||
| 41 | A | 41.7 | Very low | 40.5 | Very low | 93 Ų | 93 | 150.6 Ų | 150.6 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -90.1 | 81.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 42 | D | 44.8 | Very low | 41 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | -178.7 | 46.3 | 158 | -89.6 | -21.7 | 0 | 0 | 0 | 114.1 | D40 | D40-D42 PolarHBondContact O-N 3.1Š| ||
| 43 | I | 42.6 | Very low | 41.6 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -130.9 | 15.9 | 175.9 | -63.4 | -178.4 | 0 | 0 | 0 | 114.4 | ||
| 44 | F | 32 | Very low | 41.7 | Very low | 204 Ų | 204 | 136.7 Ų | 136.7 | 90% | 0.895 | 76% | 0.761 | S | S | * | * | trans | -138.9 | 81.5 | 165.1 | -71.8 | -78.8 | 0 | 0 | 0 | 110.9 | G46 | F44-G46 PolarHBondContact O-N 3.48Š| ||
| 45 | H | 39.4 | Very low | 42.4 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | trans | -59.8 | 122.4 | 157.7 | -73.5 | -65.5 | 0 | 0 | 0 | 108.4 | E47 | H45-E47 PolarHBondContact O-N 2.87Å; H45-E47 VanDerWaalsContact O-N 3.08Å | ||
| 46 | G | 46.2 | Very low | 42.6 | Very low | 77 Ų | 77 | 134 Ų | 134 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | -62.2 | 107.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | F44 | F44-G46 PolarHBondContact O-N 3.48Š| ||
| 47 | E | 31.5 | Very low | 43.4 | Very low | 182 Ų | 182 | 132.6 Ų | 132.6 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -79.7 | 116.3 | 148.3 | -75.7 | -171.9 | 133.2 | 0 | 0 | 106.8 | H45 M49 | H45-E47 PolarHBondContact O-N 2.87Å; H45-E47 VanDerWaalsContact O-N 3.08Å; E47-M49 PolarHBondContact O-N 3.06Å | ||
| 48 | D | 39.1 | Very low | 43.9 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | trans | -49.6 | 100.4 | 166.2 | -79.5 | -58.7 | 0 | 0 | 0 | 109.2 | K50 | D48-K50 PolarHBondContact O-N 2.81Š| ||
| 49 | M | 40.6 | Very low | 44.1 | Very low | 187 Ų | 187 | 133.1 Ų | 133.1 | 92% | 0.921 | 71% | 0.708 | S | S | * | * | trans | -70.1 | 85.9 | 164.8 | -76.6 | -142.7 | 141.4 | 0 | 0 | 107.9 | E47 A51 | E47-M49 PolarHBondContact O-N 3.06Å; M49-A51 PolarHBondContact O-N 3.01Å | ||
| 50 | K | 36.7 | Very low | 44.7 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 78% | 0.783 | 68% | 0.684 | S | S | * | * | trans | -49.4 | 98.8 | 166.1 | -154.3 | -165.2 | -177.7 | -176.4 | 0 | 108.3 | D48 P52 | D48-K50 PolarHBondContact O-N 2.81Å; K50-P52 HydrophobicContact CD-CG 4.5Å; K50-P52 HydrophobicContact CG-CG 4.39Å; K50-P52 WeakPolarHBondContact O-CD 3.36Å | ||
| 51 | A | 50.4 | Low | 45.6 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 80% | 0.802 | 68% | 0.679 | S | S | * | * | trans | -64.7 | 113.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | M49 | M49-A51 PolarHBondContact O-N 3.01Š| ||
| 52 | P | 48.1 | Very low | 46.1 | Very low | 30 Ų | 30 | 128.2 Ų | 128.2 | 20% | 0.195 | 66% | 0.663 | C | S | . | * | -148.7 | 8.1 | 116.5 | 29.7 | -6.2 | 0 | 0 | 0 | 115.4 | K50 G54 K55 E56 | K50-P52 HydrophobicContact CD-CG 4.5Å; K50-P52 HydrophobicContact CG-CG 4.39Å; K50-P52 WeakPolarHBondContact O-CD 3.36Å; P52-G54 PolarHBondContact O-N 2.85Å; P52-K55 PolarHBondContact O-N 3.11Å; P52-E56 HydrophobicContact CB-CG 4.09Å; P52-E56 VanDerWaalsContact O-CB 3.31Å; P52-E56 WeakPolarHBondContact O-CB 3.48Å; P52-E56 WeakPolarHBondContact O-CG 3.34Å; P52-E56 PolarHBondContact O-N 2.83Å | |||
| 53 | L | 48.8 | Very low | 46.4 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 61% | 0.613 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -61.7 | -41 | -173.3 | -114.8 | 91.5 | 0 | 0 | 0 | 113.5 | K55 E56 E57 | L53-K55 PolarHBondContact O-N 3.34Å; L53-E56 PolarHBondContact O-N 2.8Å; L53-E57 VanDerWaalsContact O-CB 3.23Å; L53-E57 WeakPolarHBondContact O-CB 3.36Å; L53-E57 VanDerWaalsContact O-CG 3.27Å; L53-E57 WeakPolarHBondContact O-CG 3.38Å; L53-E57 PolarHBondContact O-N 3Å |
| 54 | G | 47.1 | Very low | 46.5 | Very low | 56 Ų | 56 | 126.9 Ų | 126.9 | 58% | 0.577 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.4 | -25.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P52 F58 | P52-G54 PolarHBondContact O-N 2.85Å; G54-F58 WeakPolarHBondContact O-CB 3.23Å; G54-F58 PolarHBondContact O-N 3.38Å |
| 55 | K | 50.7 | Low | 47.5 | Very low | 165 Ų | 165 | 123.8 Ų | 123.8 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -81.7 | -39.7 | 172.8 | -82.9 | -174 | 175.9 | -179 | 0 | 110.8 | P52 L53 F58 L59 | P52-K55 PolarHBondContact O-N 3.11Å; L53-K55 PolarHBondContact O-N 3.34Å; K55-F58 PolarHBondContact O-N 2.85Å; K55-L59 VanDerWaalsContact O-CB 3.22Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.41Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 2.88Å |
| 56 | E | 51.5 | Low | 48.1 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 51% | 0.509 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -67.3 | -38.8 | 175.3 | -76.3 | 167.9 | 168 | 0 | 0 | 111.4 | P52 L53 A60 | P52-E56 HydrophobicContact CB-CG 4.09Å; P52-E56 VanDerWaalsContact O-CB 3.31Å; P52-E56 WeakPolarHBondContact O-CB 3.48Å; P52-E56 WeakPolarHBondContact O-CG 3.34Å; P52-E56 PolarHBondContact O-N 2.83Å; L53-E56 PolarHBondContact O-N 2.8Å; E56-A60 WeakPolarHBondContact O-CA 3.48Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.91Å |
| 57 | E | 52.5 | Low | 48.1 | Very low | 114 Ų | 114 | 121.1 Ų | 121.1 | 53% | 0.533 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -40.9 | 172.7 | -76.8 | 179.5 | 168 | 0 | 0 | 111.7 | L53 A60 W61 | L53-E57 VanDerWaalsContact O-CB 3.23Å; L53-E57 WeakPolarHBondContact O-CB 3.36Å; L53-E57 VanDerWaalsContact O-CG 3.27Å; L53-E57 WeakPolarHBondContact O-CG 3.38Å; L53-E57 PolarHBondContact O-N 3Å; E57-A60 PolarHBondContact O-N 3.4Å; E57-W61 PolarHBondContact O-N 2.83Å |
| 58 | F | 46.5 | Very low | 48.7 | Very low | 152 Ų | 152 | 119.8 Ų | 119.8 | 67% | 0.667 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 175.2 | -170.3 | -92.2 | 0 | 0 | 0 | 111.9 | G54 K55 Q62 | G54-F58 WeakPolarHBondContact O-CB 3.23Å; G54-F58 PolarHBondContact O-N 3.38Å; K55-F58 PolarHBondContact O-N 2.85Å; F58-Q62 WeakPolarHBondContact O-CB 3.49Å; F58-Q62 PolarHBondContact O-N 3.48Å; F58-Q62 VanDerWaalsContact O-N 3.12Å |
| 59 | L | 53.7 | Low | 49.3 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 53% | 0.534 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.2 | -33.9 | 172.9 | -71.3 | 168.1 | 0 | 0 | 0 | 112 | K55 Q62 Q63 | K55-L59 VanDerWaalsContact O-CB 3.22Å; K55-L59 WeakPolarHBondContact O-CB 3.44Å; K55-L59 WeakPolarHBondContact O-CD1 3.41Å; K55-L59 WeakPolarHBondContact O-CG 3.47Å; K55-L59 PolarHBondContact O-N 2.88Å; L59-Q62 PolarHBondContact O-N 3.2Å; L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 PolarHBondContact O-N 3.47Å |
| 60 | A | 53.6 | Low | 49.9 | Very low | 38 Ų | 38 | 118.2 Ų | 118.2 | 31% | 0.314 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71.1 | -39.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | E56 E57 Q62 Q63 D64 | E56-A60 WeakPolarHBondContact O-CA 3.48Å; E56-A60 WeakPolarHBondContact O-CB 3.29Å; E56-A60 PolarHBondContact O-N 2.91Å; E57-A60 PolarHBondContact O-N 3.4Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q63 CarbonylContact O-C 3.54Å; A60-Q63 PolarHBondContact O-N 3.47Å; A60-D64 VanDerWaalsContact O-CB 3.28Å; A60-D64 WeakPolarHBondContact O-CB 3.39Å; A60-D64 VanDerWaalsContact O-CG 3.24Å; A60-D64 PolarHBondContact O-N 2.84Å |
| 61 | W | 59.2 | Low | 50.6 | Low | 190 Ų | 190 | 111.2 Ų | 111.2 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.7 | -38.9 | 171.4 | -85.8 | 68.9 | 0 | 0 | 0 | 112.1 | E57 Q63 L65 | E57-W61 PolarHBondContact O-N 2.83Å; W61-Q63 VanDerWaalsContact C-N 3.35Å; W61-L65 WeakPolarHBondContact O-CB 3.42Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.03Å |
| 62 | Q | 53.3 | Low | 50.9 | Low | 89 Ų | 89 | 114.1 Ų | 114.1 | 42% | 0.416 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.2 | -41.5 | 174 | -167.7 | 176.2 | -6.7 | 0 | 0 | 111 | F58 L59 A60 L65 E66 | F58-Q62 WeakPolarHBondContact O-CB 3.49Å; F58-Q62 PolarHBondContact O-N 3.48Å; F58-Q62 VanDerWaalsContact O-N 3.12Å; L59-Q62 PolarHBondContact O-N 3.2Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; Q62-L65 PolarHBondContact O-N 2.98Å; Q62-E66 PolarHBondContact NE2-OE1 2.92Å; Q62-E66 WeakPolarHBondContact O-CB 3.24Å; Q62-E66 WeakPolarHBondContact O-CG 3.22Å; Q62-E66 PolarHBondContact O-N 3.28Å |
| 63 | Q | 50.3 | Low | 51.9 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.612 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.5 | -33.1 | 178 | -165.9 | 164.4 | 39.3 | 0 | 0 | 112.6 | L59 A60 W61 E66 A67 | L59-Q63 WeakPolarHBondContact O-CB 3.38Å; L59-Q63 PolarHBondContact O-N 3.47Å; A60-Q63 CarbonylContact O-C 3.54Å; A60-Q63 PolarHBondContact O-N 3.47Å; W61-Q63 VanDerWaalsContact C-N 3.35Å; Q63-E66 CarbonylContact O-C 3.59Å; Q63-E66 PolarHBondContact O-N 3.42Å; Q63-A67 WeakPolarHBondContact O-CA 3.43Å; Q63-A67 WeakPolarHBondContact O-CB 3.42Å; Q63-A67 PolarHBondContact O-N 2.87Å |
| 64 | D | 45.8 | Very low | 53.5 | Low | 112 Ų | 112 | 115.4 Ų | 115.4 | 60% | 0.599 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.5 | -33.1 | 175.1 | -75.9 | -17.9 | 0 | 0 | 0 | 111.7 | A60 E66 | A60-D64 VanDerWaalsContact O-CB 3.28Å; A60-D64 WeakPolarHBondContact O-CB 3.39Å; A60-D64 VanDerWaalsContact O-CG 3.24Å; A60-D64 PolarHBondContact O-N 2.84Å; D64-E66 VanDerWaalsContact C-N 3.33Å |
| 65 | L | 51.8 | Low | 55.6 | Low | 138 Ų | 138 | 117 Ų | 117 | 72% | 0.723 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.7 | -33.1 | 167.6 | -78.7 | 165 | 0 | 0 | 0 | 112.1 | W61 Q62 | W61-L65 WeakPolarHBondContact O-CB 3.42Å; W61-L65 WeakPolarHBondContact O-CG 3.48Å; W61-L65 PolarHBondContact O-N 3.03Å; Q62-L65 PolarHBondContact O-N 2.98Å |
| 66 | E | 52.4 | Low | 57.5 | Low | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -85.7 | -19.5 | 177.6 | -72 | 171.1 | -172.3 | 0 | 0 | 113.4 | Q62 Q63 D64 | Q62-E66 PolarHBondContact NE2-OE1 2.92Å; Q62-E66 WeakPolarHBondContact O-CB 3.24Å; Q62-E66 WeakPolarHBondContact O-CG 3.22Å; Q62-E66 PolarHBondContact O-N 3.28Å; Q63-E66 CarbonylContact O-C 3.59Å; Q63-E66 PolarHBondContact O-N 3.42Å; D64-E66 VanDerWaalsContact C-N 3.33Å |
| 67 | A | 47.2 | Very low | 59.6 | Low | 65 Ų | 65 | 110.5 Ų | 110.5 | 54% | 0.537 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -91.2 | -19.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q63 D69 | Q63-A67 WeakPolarHBondContact O-CA 3.43Å; Q63-A67 WeakPolarHBondContact O-CB 3.42Å; Q63-A67 PolarHBondContact O-N 2.87Å; A67-D69 VanDerWaalsContact C-N 3.34Å |
| 68 | D | 44.1 | Very low | 61.7 | Low | 154 Ų | 154 | 105.5 Ų | 105.5 | 82% | 0.824 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -85.3 | -9.4 | 174.4 | -153.4 | 33.5 | 0 | 0 | 0 | 112.8 | K70 | D68-K70 PolarHBondContact O-N 2.81Š|
| 69 | D | 51.8 | Low | 64.1 | Low | 113 Ų | 113 | 102.6 Ų | 102.6 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | trans | -90.6 | 75.1 | 166.8 | -161.6 | 44.5 | 0 | 0 | 0 | 109.8 | A67 G71 | A67-D69 VanDerWaalsContact C-N 3.34Å; D69-G71 PolarHBondContact O-N 2.85Å; D69-G71 WeakPolarHBondContact OD1-CA 3.27Å; D69-G71 PolarHBondContact OD1-N 2.98Å | ||
| 70 | K | 52.5 | Low | 66.2 | Low | 204 Ų | 204 | 97.9 Ų | 97.9 | 89% | 0.887 | 53% | 0.526 | S | S | * | . | trans | -68.8 | 61.7 | 144.4 | -73.5 | -151.6 | 178.7 | -170.3 | 0 | 108 | D68 L72 | D68-K70 PolarHBondContact O-N 2.81Å; K70-L72 PolarHBondContact O-N 2.87Å | ||
| 71 | G | 52 | Low | 68.3 | Low | 34 Ų | 34 | 103.3 Ų | 103.3 | 35% | 0.351 | 54% | 0.538 | S | S | . | . | trans | -67.2 | 122.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | D69 A73 | D69-G71 PolarHBondContact O-N 2.85Å; D69-G71 WeakPolarHBondContact OD1-CA 3.27Å; D69-G71 PolarHBondContact OD1-N 2.98Å; G71-A73 PolarHBondContact O-N 3.12Å | ||
| 72 | L | 57.2 | Low | 70.1 | Confident | 158 Ų | 158 | 95.2 Ų | 95.2 | 83% | 0.827 | 51% | 0.508 | S | S | * | . | trans | -41.9 | 135.4 | 153.3 | -65.6 | 165.2 | 0 | 0 | 0 | 107.3 | K70 V74 | K70-L72 PolarHBondContact O-N 2.87Å; L72-V74 WeakPolarHBondContact O-CG2 3.49Å; L72-V74 PolarHBondContact O-N 3.42Å | ||
| 73 | A | 67.1 | Low | 72.1 | Confident | 78 Ų | 78 | 94.5 Ų | 94.5 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | trans | -49.5 | 107.1 | 176 | 0 | 0 | 0 | 0 | 0 | 108.3 | G71 D75 P118 | G71-A73 PolarHBondContact O-N 3.12Å; A73-D75 PolarHBondContact O-N 2.94Å; A73-P118 HydrophobicContact CB-CB 3.91Å | ||
| 74 | V | 83.4 | Confident | 74.1 | Confident | 95 Ų | 95 | 89.5 Ų | 89.5 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | trans | -78.7 | 114.8 | -178.1 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | L72 R76 | L72-V74 WeakPolarHBondContact O-CG2 3.49Å; L72-V74 PolarHBondContact O-N 3.42Å; V74-R76 WeakPolarHBondContact O-CG 3.09Å | ||
| 75 | D | 91.3 | Very high | 76.3 | Confident | 90 Ų | 90 | 91.3 Ų | 91.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | trans | -67.4 | 135.4 | 173.1 | -62.9 | -21.1 | 0 | 0 | 0 | 108.9 | A73 D116 P118 | A73-D75 PolarHBondContact O-N 2.94Å; D75-D116 HydrophobicContact CB-CB 3.71Å; D75-P118 WeakPolarHBondContact OD1-CB 3.49Å; D75-P118 VanDerWaalsContact OD1-CD 3.25Å; D75-P118 WeakPolarHBondContact OD1-CD 3.49Å | ||
| 76 | R | 90.6 | Very high | 78.2 | Confident | 61 Ų | 61 | 85.1 Ų | 85.1 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.8 | -174.2 | -51.3 | -174.4 | 175.9 | -161.2 | -2.7 | 111.2 | V74 T78 D116 L117 K156 F159 | V74-R76 WeakPolarHBondContact O-CG 3.09Å; R76-T78 PolarHBondContact O-N 2.85Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 2.81Å; R76-D116 WeakPolarHBondContact O-CA 3.48Å; R76-L117 PolarHBondContact N-O 2.94Å; R76-L117 PolarHBondContact O-N 2.89Å; R76-K156 PolarHBondContact NH1-O 2.91Å; R76-F159 HydrophobicContact CB-CD1 3.81Å; R76-F159 HydrophobicContact CB-CD2 4.37Å; R76-F159 HydrophobicContact CB-CE1 3.22Å; R76-F159 HydrophobicContact CB-CE2 3.82Å; R76-F159 HydrophobicContact CB-CG 4.35Å; R76-F159 HydrophobicContact CB-CZ 3.2Å; R76-F159 HydrophobicContact CG-CD1 4.45Å; R76-F159 HydrophobicContact CG-CD2 4.46Å; R76-F159 HydrophobicContact CG-CE1 4.22Å; R76-F159 HydrophobicContact CG-CE2 4.18Å; R76-F159 HydrophobicContact CG-CZ 4.06Å |
| 77 | P | 96 | Very high | 80.1 | Confident | 76 Ų | 76 | 87.4 Ų | 87.4 | 49% | 0.494 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 116.6 | -171.4 | 25.2 | -34.7 | 0 | 0 | 0 | 111.4 | I114 D116 | P77-I114 HydrophobicContact CB-CG2 3.76Å; P77-D116 WeakPolarHBondContact CA-OD1 3.45Å; P77-D116 WeakPolarHBondContact CB-OD1 3.42Å |
| 78 | T | 96.8 | Very high | 82.4 | Confident | 10 Ų | 10 | 90 Ų | 90 | 6% | 0.061 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.4 | -179.7 | -56 | 0 | 0 | 0 | 0 | 109.8 | R76 F80 I114 V115 L117 I152 V154 | R76-T78 PolarHBondContact O-N 2.85Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 2.81Å; T78-F80 HydrophobicContact CG2-CE2 3.96Å; T78-F80 HydrophobicContact CG2-CZ 4.19Å; T78-I114 WeakPolarHBondContact O-CA 3.34Å; T78-V115 WeakPolarHBondContact CB-O 3.32Å; T78-V115 PolarHBondContact N-O 2.55Å; T78-V115 PolarHBondContact O-N 2.82Å; T78-L117 HydrophobicContact CG2-CD1 4.16Å; T78-I152 HydrophobicContact CG2-CD1 3.6Å; T78-V154 HydrophobicContact CG2-CG2 4.22Å |
| 79 | V | 96.9 | Very high | 84.9 | Confident | 90 Ų | 90 | 82.9 Ų | 82.9 | 55% | 0.545 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.7 | -176.3 | -176 | 0 | 0 | 0 | 0 | 110.2 | V112 I114 | V79-V112 HydrophobicContact CG1-CG1 3.83Å; V79-I114 HydrophobicContact CG2-CG1 4.32Å |
| 80 | F | 97.5 | Very high | 87.1 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.018 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 124.4 | 168.9 | -67.9 | -88.5 | 0 | 0 | 0 | 109.3 | T78 L91 F95 V112 A113 V115 L117 Y124 I152 | T78-F80 HydrophobicContact CG2-CE2 3.96Å; T78-F80 HydrophobicContact CG2-CZ 4.19Å; F80-L91 HydrophobicContact CB-CD2 3.72Å; F80-L91 HydrophobicContact CD1-CD1 3.99Å; F80-L91 HydrophobicContact CD1-CD2 3.98Å; F80-L91 HydrophobicContact CD2-CD2 3.62Å; F80-L91 HydrophobicContact CE2-CD2 4.24Å; F80-L91 HydrophobicContact CG-CD1 4.27Å; F80-L91 HydrophobicContact CG-CD2 3.47Å; F80-L91 VanDerWaalsContact CG-CD2 3.47Å; F80-F95 HydrophobicContact CZ-CE1 4.11Å; F80-V112 WeakPolarHBondContact O-CA 3.45Å; F80-A113 PolarHBondContact N-O 2.76Å; F80-A113 PolarHBondContact O-N 2.83Å; F80-V115 HydrophobicContact CD2-CB 4.27Å; F80-V115 HydrophobicContact CD2-CG2 4.1Å; F80-V115 HydrophobicContact CE2-CB 4.07Å; F80-V115 HydrophobicContact CE2-CG2 4.31Å; F80-L117 HydrophobicContact CE2-CD1 3.78Å; F80-L117 HydrophobicContact CZ-CD1 3.67Å; F80-Y124 HydrophobicContact CD1-CD1 4.35Å; F80-Y124 AromaticContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CE1 4.37Å; F80-Y124 AromaticContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CG 4.03Å; F80-Y124 AromaticContact CE1-CD1 3.62Å; F80-Y124 HydrophobicContact CE1-CD1 3.62Å; F80-Y124 AromaticContact CE1-CD2 3.8Å; F80-Y124 HydrophobicContact CE1-CD2 3.8Å; F80-Y124 AromaticContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 4.01Å; F80-Y124 AromaticContact CE1-CG 3.58Å; F80-Y124 HydrophobicContact CE1-CG 3.58Å; F80-I152 HydrophobicContact CE1-CG2 4.11Å; F80-I152 HydrophobicContact CZ-CG2 4.06Å |
| 81 | R | 96.9 | Very high | 89.3 | Confident | 151 Ų | 151 | 71 Ų | 71 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.6 | -179.5 | -177.4 | 172.3 | 63.5 | -175.4 | -1.5 | 110.1 | T83 F111 V112 | R81-T83 HydrophobicContact CG-CG2 4.04Å; R81-F111 CarbonylContact C-O 3.55Å; R81-F111 WeakPolarHBondContact CA-O 3.34Å; R81-V112 HydrophobicContact CB-CG2 4.47Å; R81-V112 HydrophobicContact CG-CG2 4.15Å |
| 82 | W | 97.1 | Very high | 91.5 | Very high | 20 Ų | 20 | 69.4 Ų | 69.4 | 8% | 0.076 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 122.2 | 168.3 | 174.6 | -99.2 | 0 | 0 | 0 | 108.8 | G84 D85 V89 L104 T110 F111 F126 V128 T133 D135 | W82-G84 VanDerWaalsContact NE1-C 3.31Å; W82-G84 PolarHBondContact NE1-O 2.98Å; W82-G84 VanDerWaalsContact NE1-O 3.11Å; W82-D85 PolarHBondContact NE1-O 3.44Å; W82-V89 HydrophobicContact CB-CG1 4.17Å; W82-V89 HydrophobicContact CG-CG1 4.12Å; W82-L104 HydrophobicContact CB-CD2 4.19Å; W82-T110 WeakPolarHBondContact O-CA 3.21Å; W82-F111 HydrophobicContact CB-CB 4.11Å; W82-F111 AromaticContact CD1-CD2 3.94Å; W82-F111 PolarHBondContact N-O 2.95Å; W82-F111 PolarHBondContact O-N 2.89Å; W82-F126 HydrophobicContact CB-CD1 4.14Å; W82-F126 HydrophobicContact CB-CE1 3.94Å; W82-F126 HydrophobicContact CB-CZ 4.21Å; W82-F126 HydrophobicContact CD2-CD2 4.43Å; W82-F126 HydrophobicContact CD2-CG 4.34Å; W82-F126 HydrophobicContact CE3-CB 4.18Å; W82-F126 HydrophobicContact CE3-CD1 4.38Å; W82-F126 AromaticContact CE3-CD2 3.45Å; W82-F126 HydrophobicContact CE3-CD2 3.45Å; W82-F126 VanDerWaalsContact CE3-CD2 3.45Å; W82-F126 AromaticContact CE3-CE2 3.83Å; W82-F126 HydrophobicContact CE3-CE2 3.83Å; W82-F126 AromaticContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CZ 4.44Å; W82-F126 HydrophobicContact CZ3-CB 4.44Å; W82-F126 AromaticContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CE2 4.47Å; W82-F126 HydrophobicContact CZ3-CG 4.33Å; W82-V128 HydrophobicContact CD2-CG2 4.31Å; W82-V128 HydrophobicContact CZ2-CG2 3.94Å; W82-T133 HydrophobicContact CH2-CG2 3.45Å; W82-T133 VanDerWaalsContact CH2-CG2 3.45Å; W82-T133 HydrophobicContact CZ2-CG2 3.88Å; W82-T133 HydrophobicContact CZ3-CG2 3.98Å; W82-D135 HydrophobicContact CE3-CB 4.36Å; W82-D135 HydrophobicContact CZ3-CB 4.18Å |
| 83 | T | 95.5 | Very high | 93.3 | Very high | 75 Ų | 75 | 61.9 Ų | 61.9 | 46% | 0.46 | 33% | 0.33 | S | S | . | . | trans | -103.9 | -6.2 | -178.1 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | R81 T110 | R81-T83 HydrophobicContact CG-CG2 4.04Å; T83-T110 HydrophobicContact CG2-CG2 4.21Å | ||
| 84 | G | 92.3 | Very high | 94.7 | Very high | 26 Ų | 26 | 60 Ų | 60 | 27% | 0.268 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -74.8 | 171.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W82 | W82-G84 VanDerWaalsContact NE1-C 3.31Å; W82-G84 PolarHBondContact NE1-O 2.98Å; W82-G84 VanDerWaalsContact NE1-O 3.11Å |
| 85 | D | 91.7 | Very high | 95.2 | Very high | 149 Ų | 149 | 57.9 Ų | 57.9 | 80% | 0.797 | 30% | 0.295 | S | S | * | . | trans | -69.5 | 156.8 | 173.8 | -68.5 | -46.9 | 0 | 0 | 0 | 111.9 | W82 V128 | W82-D85 PolarHBondContact NE1-O 3.44Å; D85-V128 WeakPolarHBondContact O-CG1 3.33Å | ||
| 86 | G | 91.7 | Very high | 95.3 | Very high | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 28% | 0.28 | C | S | . | . | trans | 164.7 | 157.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R106 F111 D129 | G86-R106 PolarHBondContact O-NH1 3.35Å; G86-F111 VanDerWaalsContact O-CZ 3.24Å; G86-F111 WeakPolarHBondContact O-CZ 3.27Å; G86-D129 WeakPolarHBondContact CA-OD2 2.91Å | ||
| 87 | K | 92.7 | Very high | 95.5 | Very high | 173 Ų | 173 | 58.7 Ų | 58.7 | 75% | 0.752 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -96.8 | -48.8 | 168.9 | -63.6 | 178.1 | -178.1 | 174.9 | 0 | 110.6 | D129 | K87-D129 WeakPolarHBondContact CA-OD1 3.33Å; K87-D129 WeakPolarHBondContact CB-OD1 3.45Å; K87-D129 PolarHBondContact N-OD1 3.09Å; K87-D129 PolarHBondContact N-OD2 3.07Å; K87-D129 VanDerWaalsContact N-OD2 3.1Å |
| 88 | E | 95.1 | Very high | 95.4 | Very high | 120 Ų | 120 | 60 Ų | 60 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -122.2 | 120.5 | 179.3 | -63.3 | -177.1 | 156.7 | 0 | 0 | 109.3 | Y90 V128 D129 | E88-Y90 HydrophobicContact CB-CE2 3.91Å; E88-V128 WeakPolarHBondContact O-CA 3.49Å; E88-D129 PolarHBondContact N-OD1 3.09Å; E88-D129 PolarHBondContact O-N 3.29Å |
| 89 | V | 97.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.03 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 130.4 | -178.4 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | W82 L104 F111 F126 Y127 V128 | W82-V89 HydrophobicContact CB-CG1 4.17Å; W82-V89 HydrophobicContact CG-CG1 4.12Å; V89-L104 HydrophobicContact CB-CB 4.28Å; V89-L104 HydrophobicContact CG1-CB 4.32Å; V89-L104 HydrophobicContact CG1-CD2 3.86Å; V89-L104 HydrophobicContact CG1-CG 4.47Å; V89-L104 PolarHBondContact O-N 3.22Å; V89-F111 HydrophobicContact CB-CB 4.16Å; V89-F111 HydrophobicContact CB-CD1 3.75Å; V89-F111 HydrophobicContact CB-CD2 4.48Å; V89-F111 HydrophobicContact CB-CE1 4.14Å; V89-F111 HydrophobicContact CB-CG 3.91Å; V89-F111 HydrophobicContact CG1-CB 4.33Å; V89-F111 HydrophobicContact CG2-CB 4.28Å; V89-F111 HydrophobicContact CG2-CD1 3.66Å; V89-F111 HydrophobicContact CG2-CD2 3.72Å; V89-F111 HydrophobicContact CG2-CE1 3.7Å; V89-F111 HydrophobicContact CG2-CE2 3.77Å; V89-F111 HydrophobicContact CG2-CG 3.64Å; V89-F111 HydrophobicContact CG2-CZ 3.74Å; V89-F126 HydrophobicContact CG1-CD1 4.1Å; V89-Y127 WeakPolarHBondContact CA-O 3.38Å; V89-V128 HydrophobicContact CG1-CG2 4.04Å; V89-V128 HydrophobicContact CG2-CG1 4.23Å; V89-V128 HydrophobicContact CG2-CG2 4.15Å |
| 90 | Y | 98 | Very high | 94.9 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 26% | 0.259 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 156.7 | 174.8 | -52.9 | -99.8 | 0 | 0 | 0 | 111.3 | E88 K101 I102 P103 F126 Y127 | E88-Y90 HydrophobicContact CB-CE2 3.91Å; Y90-K101 HydrophobicContact CD1-CB 3.89Å; Y90-K101 HydrophobicContact CG-CB 4.03Å; Y90-K101 HydrophobicContact CG-CD 4.49Å; Y90-I102 CarbonylContact C-O 3.48Å; Y90-I102 WeakPolarHBondContact CA-O 3.46Å; Y90-P103 HydrophobicContact CD1-CB 3.95Å; Y90-P103 HydrophobicContact CE1-CB 3.92Å; Y90-F126 CarbonylContact O-C 3.57Å; Y90-F126 WeakPolarHBondContact O-CA 3.17Å; Y90-Y127 HydrophobicContact CD2-CD1 4.02Å; Y90-Y127 PolarHBondContact N-O 2.83Å; Y90-Y127 PolarHBondContact O-N 3.39Å |
| 91 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.1 | 176.8 | 174.4 | 72.3 | 0 | 0 | 0 | 110.3 | F80 F95 I102 L104 V115 Y124 F126 | F80-L91 HydrophobicContact CB-CD2 3.72Å; F80-L91 HydrophobicContact CD1-CD1 3.99Å; F80-L91 HydrophobicContact CD1-CD2 3.98Å; F80-L91 HydrophobicContact CD2-CD2 3.62Å; F80-L91 HydrophobicContact CE2-CD2 4.24Å; F80-L91 HydrophobicContact CG-CD1 4.27Å; F80-L91 HydrophobicContact CG-CD2 3.47Å; F80-L91 VanDerWaalsContact CG-CD2 3.47Å; L91-F95 HydrophobicContact CD2-CZ 4.02Å; L91-F95 HydrophobicContact CG-CZ 4.12Å; L91-I102 HydrophobicContact CB-CB 4.45Å; L91-I102 PolarHBondContact N-O 3.04Å; L91-I102 PolarHBondContact O-N 3.09Å; L91-L104 HydrophobicContact CB-CD1 3.47Å; L91-L104 VanDerWaalsContact CB-CD1 3.47Å; L91-V115 HydrophobicContact CD2-CG2 4.07Å; L91-Y124 HydrophobicContact CD1-CD2 3.63Å; L91-Y124 HydrophobicContact CD1-CG 4.17Å; L91-F126 HydrophobicContact CD1-CD1 4.34Å; L91-F126 HydrophobicContact CD1-CE1 4.06Å; L91-F126 HydrophobicContact CD1-CZ 4.5Å |
| 92 | S | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.8 | 171 | -159.4 | 0 | 0 | 0 | 0 | 109.1 | N96 W98 N100 Y124 K125 | S92-N96 PolarHBondContact OG-OD1 2.99Å; S92-W98 WeakPolarHBondContact O-CZ3 3.05Å; S92-W98 WeakPolarHBondContact OG-CA 3.31Å; S92-N100 PolarHBondContact OG-O 3.13Å; S92-Y124 CarbonylContact O-C 3.51Å; S92-Y124 VanDerWaalsContact O-CA 3.31Å; S92-Y124 WeakPolarHBondContact O-CA 3.38Å; S92-K125 PolarHBondContact N-O 3.2Å; S92-K125 VanDerWaalsContact N-O 3.12Å; S92-K125 PolarHBondContact O-N 3.18Å |
| 93 | G | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.4 | -175.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | F95 N96 N97 W98 Q123 | G93-F95 PolarHBondContact O-N 2.93Å; G93-N96 PolarHBondContact N-OD1 3.5Å; G93-N96 VanDerWaalsContact N-OD1 3.08Å; G93-N96 PolarHBondContact O-N 2.91Å; G93-N96 PolarHBondContact O-OD1 2.83Å; G93-N97 PolarHBondContact O-N 3.46Å; G93-W98 PolarHBondContact O-N 3.32Å; G93-Q123 CarbonylContact C-O 3.54Å; G93-Q123 WeakPolarHBondContact CA-O 3.33Å |
| 94 | S | 95.2 | Very high | 95 | Very high | 40 Ų | 40 | 63.4 Ų | 63.4 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -58 | -37.5 | 179.1 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | N96 N97 H122 Q123 | S94-N96 PolarHBondContact O-N 3.25Å; S94-N97 PolarHBondContact O-N 2.84Å; S94-N97 VanDerWaalsContact O-N 3.09Å; S94-H122 WeakPolarHBondContact OG-CA 3.5Å; S94-Q123 PolarHBondContact N-O 3.13Å; S94-Q123 PolarHBondContact OG-N 3.41Å; S94-Q123 VanDerWaalsContact OG-N 3.13Å; S94-Q123 PolarHBondContact OG-O 3.43Å |
| 95 | F | 94.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 68.4 Ų | 68.4 | 22% | 0.219 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -65 | -20.4 | -178.7 | 52.9 | -99.4 | 0 | 0 | 0 | 114.7 | F80 L91 G93 I102 V115 L117 H122 | F80-F95 HydrophobicContact CZ-CE1 4.11Å; L91-F95 HydrophobicContact CD2-CZ 4.02Å; L91-F95 HydrophobicContact CG-CZ 4.12Å; G93-F95 PolarHBondContact O-N 2.93Å; F95-I102 HydrophobicContact CE2-CD1 3.79Å; F95-V115 HydrophobicContact CD2-CG1 4.05Å; F95-V115 HydrophobicContact CE2-CG1 4.01Å; F95-L117 HydrophobicContact CB-CD2 3.29Å; F95-L117 HydrophobicContact CD1-CD1 4.17Å; F95-L117 HydrophobicContact CD1-CD2 3.54Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 4.34Å; F95-L117 HydrophobicContact CG-CD2 3.33Å; F95-H122 HydrophobicContact CD1-CB 4.41Å |
| 96 | N | 93.3 | Very high | 95.4 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 16% | 0.155 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -117.7 | 23 | 173.5 | 75.5 | -4.2 | 0 | 0 | 0 | 112.6 | S92 G93 S94 W98 A99 N100 | S92-N96 PolarHBondContact OG-OD1 2.99Å; G93-N96 PolarHBondContact N-OD1 3.5Å; G93-N96 VanDerWaalsContact N-OD1 3.08Å; G93-N96 PolarHBondContact O-N 2.91Å; G93-N96 PolarHBondContact O-OD1 2.83Å; S94-N96 PolarHBondContact O-N 3.25Å; N96-W98 PolarHBondContact O-N 3.38Å; N96-W98 VanDerWaalsContact O-N 3.07Å; N96-W98 PolarHBondContact OD1-N 3.31Å; N96-A99 WeakPolarHBondContact O-CB 3.32Å; N96-A99 PolarHBondContact O-N 3.07Å; N96-N100 PolarHBondContact ND2-O 2.97Å |
| 97 | N | 94.1 | Very high | 95.4 | Very high | 139 Ų | 139 | 70.4 Ų | 70.4 | 74% | 0.743 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 28.6 | -178.4 | -65 | -42.9 | 0 | 0 | 0 | 113.7 | G93 S94 A99 | G93-N97 PolarHBondContact O-N 3.46Å; S94-N97 PolarHBondContact O-N 2.84Å; S94-N97 VanDerWaalsContact O-N 3.09Å; N97-A99 PolarHBondContact O-N 2.98Å |
| 98 | W | 94.1 | Very high | 95.1 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 39% | 0.386 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 15.5 | -174.2 | -53.1 | 90.5 | 0 | 0 | 0 | 114.5 | S92 G93 N96 Q123 K125 N149 | S92-W98 WeakPolarHBondContact O-CZ3 3.05Å; S92-W98 WeakPolarHBondContact OG-CA 3.31Å; G93-W98 PolarHBondContact O-N 3.32Å; N96-W98 PolarHBondContact O-N 3.38Å; N96-W98 VanDerWaalsContact O-N 3.07Å; N96-W98 PolarHBondContact OD1-N 3.31Å; W98-Q123 HydrophobicContact CH2-CB 4.5Å; W98-Q123 HydrophobicContact CZ2-CB 3.96Å; W98-K125 HydrophobicContact CH2-CB 4.15Å; W98-K125 HydrophobicContact CZ3-CB 3.7Å; W98-N149 HydrophobicContact CH2-CB 4.27Å; W98-N149 WeakPolarHBondContact CH2-ND2 2.99Å |
| 99 | A | 91.5 | Very high | 94.9 | Very high | 74 Ų | 74 | 70.4 Ų | 70.4 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -41 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N96 N97 | N96-A99 WeakPolarHBondContact O-CB 3.32Å; N96-A99 PolarHBondContact O-N 3.07Å; N97-A99 PolarHBondContact O-N 2.98Å |
| 100 | N | 93.4 | Very high | 94.7 | Very high | 116 Ų | 116 | 72 Ų | 72 | 62% | 0.62 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -117.1 | 156.5 | -175.8 | -65.9 | -30.4 | 0 | 0 | 0 | 111.4 | S92 N96 | S92-N100 PolarHBondContact OG-O 3.13Å; N96-N100 PolarHBondContact ND2-O 2.97Å |
| 101 | K | 95.7 | Very high | 94.7 | Very high | 82 Ų | 82 | 69.2 Ų | 69.2 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | trans | -106.7 | 110.9 | 174.9 | -70.2 | -171.6 | -174.1 | -172.1 | 0 | 109 | Y90 P103 Y127 | Y90-K101 HydrophobicContact CD1-CB 3.89Å; Y90-K101 HydrophobicContact CG-CB 4.03Å; Y90-K101 HydrophobicContact CG-CD 4.49Å; K101-P103 WeakPolarHBondContact O-CD 3.42Å; K101-Y127 HydrophobicContact CD-CD1 4.01Å; K101-Y127 HydrophobicContact CD-CG 4.18Å | ||
| 102 | I | 97.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 71 Ų | 71 | 26% | 0.256 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 117.8 | 177.4 | -57.8 | 176.9 | 0 | 0 | 0 | 107.7 | Y90 L91 F95 V115 | Y90-I102 CarbonylContact C-O 3.48Å; Y90-I102 WeakPolarHBondContact CA-O 3.46Å; L91-I102 HydrophobicContact CB-CB 4.45Å; L91-I102 PolarHBondContact N-O 3.04Å; L91-I102 PolarHBondContact O-N 3.09Å; F95-I102 HydrophobicContact CE2-CD1 3.79Å; I102-V115 HydrophobicContact CD1-CG2 4.02Å |
| 103 | P | 97.3 | Very high | 94.6 | Very high | 85 Ų | 85 | 71.5 Ų | 71.5 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 135.1 | 178.8 | 28.2 | -33.4 | 0 | 0 | 0 | 110.8 | Y90 K101 | Y90-P103 HydrophobicContact CD1-CB 3.95Å; Y90-P103 HydrophobicContact CE1-CB 3.92Å; K101-P103 WeakPolarHBondContact O-CD 3.42Å |
| 104 | L | 97.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 76.9 Ų | 76.9 | 8% | 0.084 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -88 | 142.3 | 174 | -88.7 | 64.1 | 0 | 0 | 0 | 110.8 | W82 V89 L91 F111 A113 F126 | W82-L104 HydrophobicContact CB-CD2 4.19Å; V89-L104 HydrophobicContact CB-CB 4.28Å; V89-L104 HydrophobicContact CG1-CB 4.32Å; V89-L104 HydrophobicContact CG1-CD2 3.86Å; V89-L104 HydrophobicContact CG1-CG 4.47Å; V89-L104 PolarHBondContact O-N 3.22Å; L91-L104 HydrophobicContact CB-CD1 3.47Å; L91-L104 VanDerWaalsContact CB-CD1 3.47Å; L104-F111 HydrophobicContact CB-CB 3.85Å; L104-F111 HydrophobicContact CB-CD1 4.36Å; L104-F111 HydrophobicContact CD2-CB 3.84Å; L104-F111 HydrophobicContact CG-CB 4.45Å; L104-A113 HydrophobicContact CD1-CB 3.87Å; L104-A113 HydrophobicContact CG-CB 3.86Å; L104-F126 HydrophobicContact CD2-CD1 4.19Å; L104-F126 HydrophobicContact CD2-CE1 3.75Å |
| 105 | I | 96.6 | Very high | 94.7 | Very high | 131 Ų | 131 | 75.9 Ų | 75.9 | 67% | 0.672 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.9 | 176.6 | -57.7 | 172.9 | 0 | 0 | 0 | 108.3 | F111 V112 | I105-F111 WeakPolarHBondContact O-CA 3.41Å; I105-V112 PolarHBondContact N-O 2.91Å; I105-V112 PolarHBondContact O-N 2.87Å |
| 106 | R | 95.1 | Very high | 94.8 | Very high | 135 Ų | 135 | 78.1 Ų | 78.1 | 51% | 0.509 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.2 | 176.2 | -169.3 | -177.8 | 174.2 | 110.2 | 7 | 110.7 | G86 Q108 F111 | G86-R106 PolarHBondContact O-NH1 3.35Å; R106-Q108 PolarHBondContact NE-O 2.84Å; R106-Q108 PolarHBondContact NH2-O 3.08Å; R106-F111 HydrophobicContact CB-CD1 3.79Å; R106-F111 HydrophobicContact CB-CE1 3.59Å; R106-F111 HydrophobicContact CB-CZ 4.21Å; R106-F111 HydrophobicContact CG-CD1 4.12Å; R106-F111 HydrophobicContact CG-CE1 3.73Å; R106-F111 HydrophobicContact CG-CE2 4.24Å; R106-F111 HydrophobicContact CG-CZ 3.81Å; R106-F111 VanDerWaalsContact NH1-CZ 3.27Å |
| 107 | S | 91.4 | Very high | 94.9 | Very high | 65 Ų | 65 | 76.8 Ų | 76.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 111.5 | 170.6 | -174.9 | 0 | 0 | 0 | 0 | 109.9 | N109 T110 | S107-N109 PolarHBondContact O-N 2.98Å; S107-T110 CarbonylContact C-O 3.48Å; S107-T110 PolarHBondContact N-O 2.96Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.81Å |
| 108 | Q | 87.9 | Confident | 94.9 | Very high | 169 Ų | 169 | 71.9 Ų | 71.9 | 79% | 0.79 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | -105.8 | -176.9 | -58.8 | 177.7 | -8.8 | 0 | 0 | 112.4 | R106 | R106-Q108 PolarHBondContact NE-O 2.84Å; R106-Q108 PolarHBondContact NH2-O 3.08Å |
| 109 | N | 89.8 | Confident | 94.9 | Very high | 123 Ų | 123 | 71.7 Ų | 71.7 | 66% | 0.658 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.6 | 14.4 | -179.7 | -67.9 | 82.7 | 0 | 0 | 0 | 112.9 | S107 | S107-N109 PolarHBondContact O-N 2.98Š|
| 110 | T | 94.6 | Very high | 95.1 | Very high | 40 Ų | 40 | 69 Ų | 69 | 25% | 0.245 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 152.7 | -178.1 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | W82 T83 S107 | W82-T110 WeakPolarHBondContact O-CA 3.21Å; T83-T110 HydrophobicContact CG2-CG2 4.21Å; S107-T110 CarbonylContact C-O 3.48Å; S107-T110 PolarHBondContact N-O 2.96Å; S107-T110 PolarHBondContact O-N 2.82Å; S107-T110 PolarHBondContact O-OG1 2.81Å |
| 111 | F | 97.4 | Very high | 95.3 | Very high | 6 Ų | 6 | 68.7 Ų | 68.7 | 3% | 0.026 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | 172.6 | -72.2 | -96.3 | 0 | 0 | 0 | 107.8 | R81 W82 G86 V89 L104 I105 R106 | R81-F111 CarbonylContact C-O 3.55Å; R81-F111 WeakPolarHBondContact CA-O 3.34Å; W82-F111 HydrophobicContact CB-CB 4.11Å; W82-F111 AromaticContact CD1-CD2 3.94Å; W82-F111 PolarHBondContact N-O 2.95Å; W82-F111 PolarHBondContact O-N 2.89Å; G86-F111 VanDerWaalsContact O-CZ 3.24Å; G86-F111 WeakPolarHBondContact O-CZ 3.27Å; V89-F111 HydrophobicContact CB-CB 4.16Å; V89-F111 HydrophobicContact CB-CD1 3.75Å; V89-F111 HydrophobicContact CB-CD2 4.48Å; V89-F111 HydrophobicContact CB-CE1 4.14Å; V89-F111 HydrophobicContact CB-CG 3.91Å; V89-F111 HydrophobicContact CG1-CB 4.33Å; V89-F111 HydrophobicContact CG2-CB 4.28Å; V89-F111 HydrophobicContact CG2-CD1 3.66Å; V89-F111 HydrophobicContact CG2-CD2 3.72Å; V89-F111 HydrophobicContact CG2-CE1 3.7Å; V89-F111 HydrophobicContact CG2-CE2 3.77Å; V89-F111 HydrophobicContact CG2-CG 3.64Å; V89-F111 HydrophobicContact CG2-CZ 3.74Å; L104-F111 HydrophobicContact CB-CB 3.85Å; L104-F111 HydrophobicContact CB-CD1 4.36Å; L104-F111 HydrophobicContact CD2-CB 3.84Å; L104-F111 HydrophobicContact CG-CB 4.45Å; I105-F111 WeakPolarHBondContact O-CA 3.41Å; R106-F111 HydrophobicContact CB-CD1 3.79Å; R106-F111 HydrophobicContact CB-CE1 3.59Å; R106-F111 HydrophobicContact CB-CZ 4.21Å; R106-F111 HydrophobicContact CG-CD1 4.12Å; R106-F111 HydrophobicContact CG-CE1 3.73Å; R106-F111 HydrophobicContact CG-CE2 4.24Å; R106-F111 HydrophobicContact CG-CZ 3.81Å; R106-F111 VanDerWaalsContact NH1-CZ 3.27Å |
| 112 | V | 97.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 65.6 Ų | 65.6 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 142 | -173.2 | -176.2 | 0 | 0 | 0 | 0 | 111.3 | V79 F80 R81 I105 | V79-V112 HydrophobicContact CG1-CG1 3.83Å; F80-V112 WeakPolarHBondContact O-CA 3.45Å; R81-V112 HydrophobicContact CB-CG2 4.47Å; R81-V112 HydrophobicContact CG-CG2 4.15Å; I105-V112 PolarHBondContact N-O 2.91Å; I105-V112 PolarHBondContact O-N 2.87Å |
| 113 | A | 96.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | F80 L104 | F80-A113 PolarHBondContact N-O 2.76Å; F80-A113 PolarHBondContact O-N 2.83Å; L104-A113 HydrophobicContact CD1-CB 3.87Å; L104-A113 HydrophobicContact CG-CB 3.86Å |
| 114 | I | 96.9 | Very high | 95.3 | Very high | 114 Ų | 114 | 62 Ų | 62 | 59% | 0.585 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 123.5 | 170.6 | -55.3 | -179.6 | 0 | 0 | 0 | 106.3 | P77 T78 V79 | P77-I114 HydrophobicContact CB-CG2 3.76Å; T78-I114 WeakPolarHBondContact O-CA 3.34Å; V79-I114 HydrophobicContact CG2-CG1 4.32Å |
| 115 | V | 96.5 | Very high | 95.3 | Very high | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.2 | -179.5 | -176.5 | 0 | 0 | 0 | 0 | 107.7 | T78 F80 L91 F95 I102 L117 | T78-V115 WeakPolarHBondContact CB-O 3.32Å; T78-V115 PolarHBondContact N-O 2.55Å; T78-V115 PolarHBondContact O-N 2.82Å; F80-V115 HydrophobicContact CD2-CB 4.27Å; F80-V115 HydrophobicContact CD2-CG2 4.1Å; F80-V115 HydrophobicContact CE2-CB 4.07Å; F80-V115 HydrophobicContact CE2-CG2 4.31Å; L91-V115 HydrophobicContact CD2-CG2 4.07Å; F95-V115 HydrophobicContact CD2-CG1 4.05Å; F95-V115 HydrophobicContact CE2-CG1 4.01Å; I102-V115 HydrophobicContact CD1-CG2 4.02Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 4.23Å; V115-L117 PolarHBondContact O-N 3.23Å |
| 116 | D | 95.9 | Very high | 95.3 | Very high | 96 Ų | 96 | 56.3 Ų | 56.3 | 51% | 0.513 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 122.2 | 174.5 | -60.4 | -39 | 0 | 0 | 0 | 108.8 | D75 R76 P77 | D75-D116 HydrophobicContact CB-CB 3.71Å; R76-D116 WeakPolarHBondContact O-CA 3.48Å; P77-D116 WeakPolarHBondContact CA-OD1 3.45Å; P77-D116 WeakPolarHBondContact CB-OD1 3.42Å |
| 117 | L | 95.4 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.6 | -176.6 | -63.7 | -177 | 0 | 0 | 0 | 110.9 | R76 T78 F80 F95 V115 H122 V154 | R76-L117 PolarHBondContact N-O 2.94Å; R76-L117 PolarHBondContact O-N 2.89Å; T78-L117 HydrophobicContact CG2-CD1 4.16Å; F80-L117 HydrophobicContact CE2-CD1 3.78Å; F80-L117 HydrophobicContact CZ-CD1 3.67Å; F95-L117 HydrophobicContact CB-CD2 3.29Å; F95-L117 HydrophobicContact CD1-CD1 4.17Å; F95-L117 HydrophobicContact CD1-CD2 3.54Å; F95-L117 HydrophobicContact CD2-CD2 3.99Å; F95-L117 HydrophobicContact CE1-CD2 4.34Å; F95-L117 HydrophobicContact CG-CD2 3.33Å; V115-L117 HydrophobicContact CG1-CD2 3.78Å; V115-L117 HydrophobicContact CG1-CG 4.23Å; V115-L117 PolarHBondContact O-N 3.23Å; L117-H122 HydrophobicContact CD1-CB 4.3Å; L117-V154 HydrophobicContact CB-CG2 4.32Å; L117-V154 HydrophobicContact CD1-CG2 4.37Å |
| 118 | P | 94.7 | Very high | 95.7 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 24% | 0.24 | 26% | 0.259 | C | S | . | . | trans | -69.1 | 160.6 | 172.2 | 30.1 | -34 | 0 | 0 | 0 | 110.3 | A73 D75 G120 H122 | A73-P118 HydrophobicContact CB-CB 3.91Å; D75-P118 WeakPolarHBondContact OD1-CB 3.49Å; D75-P118 VanDerWaalsContact OD1-CD 3.25Å; D75-P118 WeakPolarHBondContact OD1-CD 3.49Å; P118-G120 PolarHBondContact O-N 2.84Å; P118-H122 PolarHBondContact O-NE2 3.47Å | ||
| 119 | E | 94.3 | Very high | 96.1 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 45% | 0.453 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -56.4 | 133.8 | 172.8 | -169.8 | -178.3 | -176.7 | 0 | 0 | 110.9 | V154 K156 | E119-V154 WeakPolarHBondContact CG-O 2.94Å; E119-K156 VanDerWaalsContact CD-CG 3.46Å; E119-K156 PolarHBondContact OE1-N 3.36Å; E119-K156 WeakPolarHBondContact OE2-CE 3.45Å; E119-K156 WeakPolarHBondContact OE2-CG 3.47Å |
| 120 | G | 94.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.9 | -173.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | P118 H122 V154 | P118-G120 PolarHBondContact O-N 2.84Å; G120-H122 PolarHBondContact O-CD2 3.44Å; G120-V154 PolarHBondContact N-O 2.73Å; G120-V154 PolarHBondContact O-N 3.1Å |
| 121 | E | 96.5 | Very high | 96.4 | Very high | 109 Ų | 109 | 46.8 Ų | 46.8 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 129 | 176 | -173.5 | -175.2 | 117.8 | 0 | 0 | 110 | I151 | E121-I151 HydrophobicContact CG-CD1 3.41Å; E121-I151 VanDerWaalsContact CG-CD1 3.41Å; E121-I151 HydrophobicContact CG-CG1 3.56Å; E121-I151 VanDerWaalsContact OE1-CD1 3.27Å; E121-I151 WeakPolarHBondContact OE1-CD1 3.2Å; E121-I151 WeakPolarHBondContact OE2-CD1 3.25Å |
| 122 | H | 96.6 | Very high | 96.3 | Very high | 16 Ų | 16 | 52 Ų | 52 | 7% | 0.074 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.8 | 177.3 | -62 | -81.4 | 0 | 0 | 0 | 110.8 | S94 F95 L117 P118 G120 I151 I152 | S94-H122 WeakPolarHBondContact OG-CA 3.5Å; F95-H122 HydrophobicContact CD1-CB 4.41Å; L117-H122 HydrophobicContact CD1-CB 4.3Å; P118-H122 PolarHBondContact O-NE2 3.47Å; G120-H122 PolarHBondContact O-CD2 3.44Å; H122-I151 WeakPolarHBondContact O-CA 3.47Å; H122-I152 HydrophobicContact CB-CG2 3.93Å; H122-I152 PolarHBondContact N-O 3.41Å; H122-I152 PolarHBondContact O-N 3.19Å |
| 123 | Q | 97.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 52.3 Ų | 52.3 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 140.3 | 173.6 | -64.8 | -176.1 | 23.2 | 0 | 0 | 109.8 | G93 S94 W98 V141 N149 N150 | G93-Q123 CarbonylContact C-O 3.54Å; G93-Q123 WeakPolarHBondContact CA-O 3.33Å; S94-Q123 PolarHBondContact N-O 3.13Å; S94-Q123 PolarHBondContact OG-N 3.41Å; S94-Q123 VanDerWaalsContact OG-N 3.13Å; S94-Q123 PolarHBondContact OG-O 3.43Å; W98-Q123 HydrophobicContact CH2-CB 4.5Å; W98-Q123 HydrophobicContact CZ2-CB 3.96Å; Q123-V141 VanDerWaalsContact CD-CG1 3.49Å; Q123-V141 HydrophobicContact CG-CG1 3.76Å; Q123-N149 HydrophobicContact CB-CB 4.4Å; Q123-N149 PolarHBondContact OE1-ND2 3.21Å; Q123-N150 CarbonylContact C-O 3.51Å; Q123-N150 WeakPolarHBondContact CA-O 3.42Å |
| 124 | Y | 97.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163 | -179.5 | 69.1 | -81.1 | 0 | 0 | 0 | 112.3 | F80 L91 S92 F126 N150 I152 | F80-Y124 HydrophobicContact CD1-CD1 4.35Å; F80-Y124 AromaticContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CD2 3.74Å; F80-Y124 HydrophobicContact CD1-CE1 4.37Å; F80-Y124 AromaticContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CE2 3.76Å; F80-Y124 HydrophobicContact CD1-CG 4.03Å; F80-Y124 AromaticContact CE1-CD1 3.62Å; F80-Y124 HydrophobicContact CE1-CD1 3.62Å; F80-Y124 AromaticContact CE1-CD2 3.8Å; F80-Y124 HydrophobicContact CE1-CD2 3.8Å; F80-Y124 AromaticContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE1 3.84Å; F80-Y124 HydrophobicContact CE1-CE2 4.01Å; F80-Y124 AromaticContact CE1-CG 3.58Å; F80-Y124 HydrophobicContact CE1-CG 3.58Å; L91-Y124 HydrophobicContact CD1-CD2 3.63Å; L91-Y124 HydrophobicContact CD1-CG 4.17Å; S92-Y124 CarbonylContact O-C 3.51Å; S92-Y124 VanDerWaalsContact O-CA 3.31Å; S92-Y124 WeakPolarHBondContact O-CA 3.38Å; Y124-F126 HydrophobicContact CD2-CE2 4.15Å; Y124-F126 HydrophobicContact CD2-CZ 4.31Å; Y124-F126 HydrophobicContact CE2-CD2 4.46Å; Y124-F126 AromaticContact CE2-CE2 3.62Å; Y124-F126 HydrophobicContact CE2-CE2 3.62Å; Y124-F126 AromaticContact CE2-CZ 3.88Å; Y124-F126 HydrophobicContact CE2-CZ 3.88Å; Y124-N150 HydrophobicContact CD1-CB 3.85Å; Y124-N150 HydrophobicContact CD2-CB 3.99Å; Y124-N150 HydrophobicContact CE1-CB 3.37Å; Y124-N150 HydrophobicContact CE2-CB 3.54Å; Y124-N150 HydrophobicContact CG-CB 4.15Å; Y124-N150 PolarHBondContact N-O 3.43Å; Y124-N150 PolarHBondContact O-N 3.39Å; Y124-I152 HydrophobicContact CD1-CB 4.5Å; Y124-I152 HydrophobicContact CD1-CG2 4.1Å; Y124-I152 HydrophobicContact CE1-CB 3.97Å; Y124-I152 HydrophobicContact CE1-CG2 4.05Å |
| 125 | K | 97.2 | Very high | 96.2 | Very high | 26 Ų | 26 | 49.8 Ų | 49.8 | 11% | 0.113 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 147.9 | 177.6 | -157.8 | 169.5 | -169 | 160.6 | 0 | 111.2 | S92 W98 W132 T133 T147 V148 | S92-K125 PolarHBondContact N-O 3.2Å; S92-K125 VanDerWaalsContact N-O 3.12Å; S92-K125 PolarHBondContact O-N 3.18Å; W98-K125 HydrophobicContact CH2-CB 4.15Å; W98-K125 HydrophobicContact CZ3-CB 3.7Å; K125-W132 HydrophobicContact CB-CE3 4Å; K125-W132 HydrophobicContact CB-CZ3 4.07Å; K125-W132 HydrophobicContact CD-CB 4.22Å; K125-W132 HydrophobicContact CD-CD2 4.44Å; K125-W132 HydrophobicContact CD-CE3 3.91Å; K125-W132 HydrophobicContact CG-CE3 3.85Å; K125-W132 HydrophobicContact CG-CZ3 4.43Å; K125-T133 WeakPolarHBondContact CG-O 3.42Å; K125-T147 VanDerWaalsContact NZ-CG2 3.34Å; K125-V148 VanDerWaalsContact CE-O 3.23Å; K125-V148 WeakPolarHBondContact CE-O 3.19Å; K125-V148 PolarHBondContact NZ-O 3.15Å |
| 126 | F | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 142.6 | 176.1 | -64.8 | -77.3 | 0 | 0 | 0 | 111.1 | W82 V89 Y90 L91 L104 Y124 V128 W132 T133 D135 | W82-F126 HydrophobicContact CB-CD1 4.14Å; W82-F126 HydrophobicContact CB-CE1 3.94Å; W82-F126 HydrophobicContact CB-CZ 4.21Å; W82-F126 HydrophobicContact CD2-CD2 4.43Å; W82-F126 HydrophobicContact CD2-CG 4.34Å; W82-F126 HydrophobicContact CE3-CB 4.18Å; W82-F126 HydrophobicContact CE3-CD1 4.38Å; W82-F126 AromaticContact CE3-CD2 3.45Å; W82-F126 HydrophobicContact CE3-CD2 3.45Å; W82-F126 VanDerWaalsContact CE3-CD2 3.45Å; W82-F126 AromaticContact CE3-CE2 3.83Å; W82-F126 HydrophobicContact CE3-CE2 3.83Å; W82-F126 AromaticContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CG 3.75Å; W82-F126 HydrophobicContact CE3-CZ 4.44Å; W82-F126 HydrophobicContact CZ3-CB 4.44Å; W82-F126 AromaticContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CD2 3.87Å; W82-F126 HydrophobicContact CZ3-CE2 4.47Å; W82-F126 HydrophobicContact CZ3-CG 4.33Å; V89-F126 HydrophobicContact CG1-CD1 4.1Å; Y90-F126 CarbonylContact O-C 3.57Å; Y90-F126 WeakPolarHBondContact O-CA 3.17Å; L91-F126 HydrophobicContact CD1-CD1 4.34Å; L91-F126 HydrophobicContact CD1-CE1 4.06Å; L91-F126 HydrophobicContact CD1-CZ 4.5Å; L104-F126 HydrophobicContact CD2-CD1 4.19Å; L104-F126 HydrophobicContact CD2-CE1 3.75Å; Y124-F126 HydrophobicContact CD2-CE2 4.15Å; Y124-F126 HydrophobicContact CD2-CZ 4.31Å; Y124-F126 HydrophobicContact CE2-CD2 4.46Å; Y124-F126 AromaticContact CE2-CE2 3.62Å; Y124-F126 HydrophobicContact CE2-CE2 3.62Å; Y124-F126 AromaticContact CE2-CZ 3.88Å; Y124-F126 HydrophobicContact CE2-CZ 3.88Å; F126-V128 HydrophobicContact CB-CG2 4.12Å; F126-W132 WeakPolarHBondContact O-CA 3.44Å; F126-T133 HydrophobicContact CB-CG2 4.12Å; F126-T133 PolarHBondContact N-O 2.98Å; F126-T133 PolarHBondContact O-N 2.84Å; F126-D135 HydrophobicContact CE2-CB 4.13Å |
| 127 | Y | 97.5 | Very high | 96.1 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 105.4 | 170.1 | -172.3 | -99 | 0 | 0 | 0 | 108.3 | V89 Y90 K101 G130 Q131 W132 | V89-Y127 WeakPolarHBondContact CA-O 3.38Å; Y90-Y127 HydrophobicContact CD2-CD1 4.02Å; Y90-Y127 PolarHBondContact N-O 2.83Å; Y90-Y127 PolarHBondContact O-N 3.39Å; K101-Y127 HydrophobicContact CD-CD1 4.01Å; K101-Y127 HydrophobicContact CD-CG 4.18Å; Y127-G130 VanDerWaalsContact CE2-C 3.49Å; Y127-G130 WeakPolarHBondContact CE2-O 3.22Å; Y127-G130 WeakPolarHBondContact OH-CA 3.05Å; Y127-G130 PolarHBondContact OH-O 3.25Å; Y127-Q131 CarbonylContact C-O 3.56Å; Y127-Q131 WeakPolarHBondContact CA-O 3.39Å; Y127-W132 AromaticContact CD2-CD1 3.95Å; Y127-W132 AromaticContact CD2-CD2 3.64Å; Y127-W132 HydrophobicContact CD2-CD2 3.64Å; Y127-W132 AromaticContact CD2-CE2 3.62Å; Y127-W132 HydrophobicContact CD2-CE3 4.13Å; Y127-W132 AromaticContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CZ2 4.13Å; Y127-W132 AromaticContact CD2-NE1 3.81Å; Y127-W132 HydrophobicContact CE2-CD2 4.47Å; Y127-W132 HydrophobicContact CE2-CG 4.42Å; Y127-W132 AromaticContact CE2-NE1 3.93Å; Y127-W132 HydrophobicContact CG-CD2 4.49Å |
| 128 | V | 97.4 | Very high | 96.1 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.9 | -171.5 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | W82 D85 E88 V89 F126 G130 Q131 T133 | W82-V128 HydrophobicContact CD2-CG2 4.31Å; W82-V128 HydrophobicContact CZ2-CG2 3.94Å; D85-V128 WeakPolarHBondContact O-CG1 3.33Å; E88-V128 WeakPolarHBondContact O-CA 3.49Å; V89-V128 HydrophobicContact CG1-CG2 4.04Å; V89-V128 HydrophobicContact CG2-CG1 4.23Å; V89-V128 HydrophobicContact CG2-CG2 4.15Å; F126-V128 HydrophobicContact CB-CG2 4.12Å; V128-G130 PolarHBondContact O-N 3.39Å; V128-Q131 PolarHBondContact N-O 3.38Å; V128-Q131 PolarHBondContact O-N 3.3Å; V128-T133 HydrophobicContact CB-CG2 4.06Å; V128-T133 HydrophobicContact CG2-CG2 3.53Å |
| 129 | D | 95.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 37.7 | 175.4 | -64.9 | -17.3 | 0 | 0 | 0 | 114.4 | G86 K87 E88 | G86-D129 WeakPolarHBondContact CA-OD2 2.91Å; K87-D129 WeakPolarHBondContact CA-OD1 3.33Å; K87-D129 WeakPolarHBondContact CB-OD1 3.45Å; K87-D129 PolarHBondContact N-OD1 3.09Å; K87-D129 PolarHBondContact N-OD2 3.07Å; K87-D129 VanDerWaalsContact N-OD2 3.1Å; E88-D129 PolarHBondContact N-OD1 3.09Å; E88-D129 PolarHBondContact O-N 3.29Å |
| 130 | G | 94.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -1.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y127 V128 | Y127-G130 VanDerWaalsContact CE2-C 3.49Å; Y127-G130 WeakPolarHBondContact CE2-O 3.22Å; Y127-G130 WeakPolarHBondContact OH-CA 3.05Å; Y127-G130 PolarHBondContact OH-O 3.25Å; V128-G130 PolarHBondContact O-N 3.39Å |
| 131 | Q | 96 | Very high | 96.4 | Very high | 144 Ų | 144 | 60.2 Ų | 60.2 | 67% | 0.673 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 140.1 | -175.7 | -64.3 | -60.1 | -36.4 | 0 | 0 | 112.4 | Y127 V128 | Y127-Q131 CarbonylContact C-O 3.56Å; Y127-Q131 WeakPolarHBondContact CA-O 3.39Å; V128-Q131 PolarHBondContact N-O 3.38Å; V128-Q131 PolarHBondContact O-N 3.3Å |
| 132 | W | 95.9 | Very high | 96.4 | Very high | 117 Ų | 117 | 59.5 Ų | 59.5 | 44% | 0.443 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 122.9 | 173.8 | -74.5 | 108.8 | 0 | 0 | 0 | 110.5 | K125 F126 Y127 | K125-W132 HydrophobicContact CB-CE3 4Å; K125-W132 HydrophobicContact CB-CZ3 4.07Å; K125-W132 HydrophobicContact CD-CB 4.22Å; K125-W132 HydrophobicContact CD-CD2 4.44Å; K125-W132 HydrophobicContact CD-CE3 3.91Å; K125-W132 HydrophobicContact CG-CE3 3.85Å; K125-W132 HydrophobicContact CG-CZ3 4.43Å; F126-W132 WeakPolarHBondContact O-CA 3.44Å; Y127-W132 AromaticContact CD2-CD1 3.95Å; Y127-W132 AromaticContact CD2-CD2 3.64Å; Y127-W132 HydrophobicContact CD2-CD2 3.64Å; Y127-W132 AromaticContact CD2-CE2 3.62Å; Y127-W132 HydrophobicContact CD2-CE3 4.13Å; Y127-W132 AromaticContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CG 3.88Å; Y127-W132 HydrophobicContact CD2-CZ2 4.13Å; Y127-W132 AromaticContact CD2-NE1 3.81Å; Y127-W132 HydrophobicContact CE2-CD2 4.47Å; Y127-W132 HydrophobicContact CE2-CG 4.42Å; Y127-W132 AromaticContact CE2-NE1 3.93Å; Y127-W132 HydrophobicContact CG-CD2 4.49Å |
| 133 | T | 96.1 | Very high | 96 | Very high | 45 Ų | 45 | 60.8 Ų | 60.8 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 167.7 | 179.6 | -168 | 0 | 0 | 0 | 0 | 110.9 | W82 K125 F126 V128 | W82-T133 HydrophobicContact CH2-CG2 3.45Å; W82-T133 VanDerWaalsContact CH2-CG2 3.45Å; W82-T133 HydrophobicContact CZ2-CG2 3.88Å; W82-T133 HydrophobicContact CZ3-CG2 3.98Å; K125-T133 WeakPolarHBondContact CG-O 3.42Å; F126-T133 HydrophobicContact CB-CG2 4.12Å; F126-T133 PolarHBondContact N-O 2.98Å; F126-T133 PolarHBondContact O-N 2.84Å; V128-T133 HydrophobicContact CB-CG2 4.06Å; V128-T133 HydrophobicContact CG2-CG2 3.53Å |
| 134 | H | 96.1 | Very high | 95.4 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 30% | 0.301 | 37% | 0.368 | S | S | . | . | trans | -127.4 | 157.5 | 177.3 | 68.7 | -82.5 | 0 | 0 | 0 | 108.9 | P136 N150 | H134-P136 WeakPolarHBondContact O-CD 3.22Å; H134-N150 WeakPolarHBondContact CA-OD1 3.46Å; H134-N150 VanDerWaalsContact CB-OD1 3.29Å; H134-N150 WeakPolarHBondContact CB-OD1 3.23Å | ||
| 135 | D | 96 | Very high | 94.9 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 3% | 0.032 | 41% | 0.406 | C | S | . | . | trans | -79 | 119.4 | 173.6 | -167.7 | -26.8 | 0 | 0 | 0 | 109.2 | W82 F126 T137 E138 N150 | W82-D135 HydrophobicContact CE3-CB 4.36Å; W82-D135 HydrophobicContact CZ3-CB 4.18Å; F126-D135 HydrophobicContact CE2-CB 4.13Å; D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.47Å; D135-T137 PolarHBondContact OD1-N 2.83Å; D135-T137 PolarHBondContact OD1-OG1 2.96Å; D135-E138 HydrophobicContact CB-CB 4.25Å; D135-E138 HydrophobicContact CB-CG 4.15Å; D135-E138 PolarHBondContact O-N 2.89Å; D135-N150 PolarHBondContact N-OD1 2.73Å; D135-N150 PolarHBondContact O-ND2 3.44Å | ||
| 136 | P | 94.9 | Very high | 94.5 | Very high | 106 Ų | 106 | 76.5 Ų | 76.5 | 69% | 0.688 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -14.4 | 179.7 | 30.9 | -36.9 | 0 | 0 | 0 | 113.9 | H134 | H134-P136 WeakPolarHBondContact O-CD 3.22Š|
| 137 | T | 95.1 | Very high | 94.2 | Very high | 105 Ų | 105 | 79.3 Ų | 79.3 | 64% | 0.644 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -17.7 | 177.5 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | D135 | D135-T137 VanDerWaalsContact C-N 3.26Å; D135-T137 PolarHBondContact O-N 3.47Å; D135-T137 PolarHBondContact OD1-N 2.83Å; D135-T137 PolarHBondContact OD1-OG1 2.96Å |
| 138 | E | 96.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 78.9 Ų | 78.9 | 39% | 0.393 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -97.9 | 153.1 | -179 | -64.6 | -59.1 | 145.7 | 0 | 0 | 111.5 | D135 N150 | D135-E138 HydrophobicContact CB-CB 4.25Å; D135-E138 HydrophobicContact CB-CG 4.15Å; D135-E138 PolarHBondContact O-N 2.89Å; E138-N150 PolarHBondContact O-ND2 3.48Å |
| 139 | P | 96.6 | Very high | 94.1 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 51% | 0.506 | 45% | 0.445 | S | S | . | . | trans | -55.3 | 148 | 175.9 | -25.3 | 35.6 | 0 | 0 | 0 | 112.8 | N150 I151 | P139-N150 VanDerWaalsContact O-CA 3.27Å; P139-N150 WeakPolarHBondContact O-CA 3.36Å; P139-N150 PolarHBondContact O-ND2 3.38Å; P139-I151 HydrophobicContact CB-CG2 3.69Å; P139-I151 PolarHBondContact O-N 2.81Å | ||
| 140 | V | 97.3 | Very high | 94.1 | Very high | 72 Ų | 72 | 74.6 Ų | 74.6 | 44% | 0.436 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.7 | 178.8 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | V148 N149 N150 | V140-V148 HydrophobicContact CB-CG1 3.88Å; V140-V148 HydrophobicContact CG1-CG1 4.08Å; V140-V148 HydrophobicContact CG2-CG1 4.28Å; V140-N149 CarbonylContact C-O 3.55Å; V140-N149 WeakPolarHBondContact CA-O 3.44Å; V140-N149 WeakPolarHBondContact CB-O 3.28Å; V140-N150 WeakPolarHBondContact CG1-ND2 3.37Å |
| 141 | V | 96.5 | Very high | 94.3 | Very high | 43 Ų | 43 | 74.7 Ų | 74.7 | 26% | 0.261 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 140.8 | 171 | 65.4 | 0 | 0 | 0 | 0 | 109.5 | Q123 N149 I151 | Q123-V141 VanDerWaalsContact CD-CG1 3.49Å; Q123-V141 HydrophobicContact CG-CG1 3.76Å; V141-N149 PolarHBondContact N-O 2.81Å; V141-N149 PolarHBondContact O-N 3.34Å; V141-I151 HydrophobicContact CB-CB 4.46Å; V141-I151 HydrophobicContact CB-CD1 4.47Å; V141-I151 HydrophobicContact CB-CG2 4.49Å; V141-I151 HydrophobicContact CG1-CB 4.11Å; V141-I151 HydrophobicContact CG1-CD1 4.49Å |
| 142 | T | 95.4 | Very high | 94.3 | Very high | 94 Ų | 94 | 69.9 Ų | 69.9 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.9 | 176.6 | -55.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 143 | S | 87.8 | Confident | 94.3 | Very high | 42 Ų | 42 | 68.6 Ų | 68.6 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | trans | -68.1 | 159.4 | 176 | -176.7 | 0 | 0 | 0 | 0 | 111.3 | L145 G146 T147 | S143-L145 PolarHBondContact O-N 2.89Å; S143-G146 PolarHBondContact O-N 2.84Å; S143-T147 WeakPolarHBondContact CB-O 3.4Å; S143-T147 PolarHBondContact N-O 3.44Å | ||
| 144 | Q | 85.1 | Confident | 94.3 | Very high | 205 Ų | 205 | 66.6 Ų | 66.6 | 96% | 0.958 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -25.3 | 178.2 | -61.7 | 177.2 | 17 | 0 | 0 | 113 | G146 | Q144-G146 VanDerWaalsContact C-N 3.27Å; Q144-G146 PolarHBondContact O-N 3.21Å |
| 145 | L | 86.1 | Confident | 94.1 | Very high | 158 Ų | 158 | 68.1 Ų | 68.1 | 83% | 0.827 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | 5 | 177.3 | -59.4 | 174.7 | 0 | 0 | 0 | 113.4 | S143 T147 | S143-L145 PolarHBondContact O-N 2.89Å; L145-T147 VanDerWaalsContact C-N 3.33Å |
| 146 | G | 88.7 | Confident | 93.8 | Very high | 54 Ų | 54 | 73.9 Ų | 73.9 | 56% | 0.557 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 83.8 | 0.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | S143 Q144 | S143-G146 PolarHBondContact O-N 2.84Å; Q144-G146 VanDerWaalsContact C-N 3.27Å; Q144-G146 PolarHBondContact O-N 3.21Å |
| 147 | T | 91.8 | Very high | 93.6 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 37% | 0.368 | 39% | 0.391 | S | S | . | . | trans | -76.5 | 125.7 | 177.8 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | K125 S143 L145 N149 | K125-T147 VanDerWaalsContact NZ-CG2 3.34Å; S143-T147 WeakPolarHBondContact CB-O 3.4Å; S143-T147 PolarHBondContact N-O 3.44Å; L145-T147 VanDerWaalsContact C-N 3.33Å; T147-N149 WeakPolarHBondContact CG2-OD1 3.36Å | ||
| 148 | V | 96.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 69.2 Ų | 69.2 | 28% | 0.279 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.7 | 171.2 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | K125 V140 | K125-V148 VanDerWaalsContact CE-O 3.23Å; K125-V148 WeakPolarHBondContact CE-O 3.19Å; K125-V148 PolarHBondContact NZ-O 3.15Å; V140-V148 HydrophobicContact CB-CG1 3.88Å; V140-V148 HydrophobicContact CG1-CG1 4.08Å; V140-V148 HydrophobicContact CG2-CG1 4.28Å |
| 149 | N | 97 | Very high | 93 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.053 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151.8 | 176.4 | -63.8 | -24.7 | 0 | 0 | 0 | 109.3 | W98 Q123 V140 V141 T147 | W98-N149 HydrophobicContact CH2-CB 4.27Å; W98-N149 WeakPolarHBondContact CH2-ND2 2.99Å; Q123-N149 HydrophobicContact CB-CB 4.4Å; Q123-N149 PolarHBondContact OE1-ND2 3.21Å; V140-N149 CarbonylContact C-O 3.55Å; V140-N149 WeakPolarHBondContact CA-O 3.44Å; V140-N149 WeakPolarHBondContact CB-O 3.28Å; V141-N149 PolarHBondContact N-O 2.81Å; V141-N149 PolarHBondContact O-N 3.34Å; T147-N149 WeakPolarHBondContact CG2-OD1 3.36Å |
| 150 | N | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 157.6 | 165 | -69 | 112.6 | 0 | 0 | 0 | 110.4 | Q123 Y124 H134 D135 E138 P139 V140 | Q123-N150 CarbonylContact C-O 3.51Å; Q123-N150 WeakPolarHBondContact CA-O 3.42Å; Y124-N150 HydrophobicContact CD1-CB 3.85Å; Y124-N150 HydrophobicContact CD2-CB 3.99Å; Y124-N150 HydrophobicContact CE1-CB 3.37Å; Y124-N150 HydrophobicContact CE2-CB 3.54Å; Y124-N150 HydrophobicContact CG-CB 4.15Å; Y124-N150 PolarHBondContact N-O 3.43Å; Y124-N150 PolarHBondContact O-N 3.39Å; H134-N150 WeakPolarHBondContact CA-OD1 3.46Å; H134-N150 VanDerWaalsContact CB-OD1 3.29Å; H134-N150 WeakPolarHBondContact CB-OD1 3.23Å; D135-N150 PolarHBondContact N-OD1 2.73Å; D135-N150 PolarHBondContact O-ND2 3.44Å; E138-N150 PolarHBondContact O-ND2 3.48Å; P139-N150 VanDerWaalsContact O-CA 3.27Å; P139-N150 WeakPolarHBondContact O-CA 3.36Å; P139-N150 PolarHBondContact O-ND2 3.38Å; V140-N150 WeakPolarHBondContact CG1-ND2 3.37Å |
| 151 | I | 97.5 | Very high | 92.5 | Very high | 35 Ų | 35 | 71.4 Ų | 71.4 | 18% | 0.179 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 131.7 | -179.9 | -179.4 | 174.9 | 0 | 0 | 0 | 109.4 | E121 H122 P139 V141 | E121-I151 HydrophobicContact CG-CD1 3.41Å; E121-I151 VanDerWaalsContact CG-CD1 3.41Å; E121-I151 HydrophobicContact CG-CG1 3.56Å; E121-I151 VanDerWaalsContact OE1-CD1 3.27Å; E121-I151 WeakPolarHBondContact OE1-CD1 3.2Å; E121-I151 WeakPolarHBondContact OE2-CD1 3.25Å; H122-I151 WeakPolarHBondContact O-CA 3.47Å; P139-I151 HydrophobicContact CB-CG2 3.69Å; P139-I151 PolarHBondContact O-N 2.81Å; V141-I151 HydrophobicContact CB-CB 4.46Å; V141-I151 HydrophobicContact CB-CD1 4.47Å; V141-I151 HydrophobicContact CB-CG2 4.49Å; V141-I151 HydrophobicContact CG1-CB 4.11Å; V141-I151 HydrophobicContact CG1-CD1 4.49Å |
| 152 | I | 96.8 | Very high | 92.3 | Very high | 43 Ų | 43 | 77.4 Ų | 77.4 | 22% | 0.221 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 137.1 | 174.1 | -172.4 | 163 | 0 | 0 | 0 | 109.7 | T78 F80 H122 Y124 | T78-I152 HydrophobicContact CG2-CD1 3.6Å; F80-I152 HydrophobicContact CE1-CG2 4.11Å; F80-I152 HydrophobicContact CZ-CG2 4.06Å; H122-I152 HydrophobicContact CB-CG2 3.93Å; H122-I152 PolarHBondContact N-O 3.41Å; H122-I152 PolarHBondContact O-N 3.19Å; Y124-I152 HydrophobicContact CD1-CB 4.5Å; Y124-I152 HydrophobicContact CD1-CG2 4.1Å; Y124-I152 HydrophobicContact CE1-CB 3.97Å; Y124-I152 HydrophobicContact CE1-CG2 4.05Å |
| 153 | Q | 95.8 | Very high | 92.1 | Very high | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 112.6 | 173.9 | -176.9 | 68.8 | 42 | 0 | 0 | 108.5 | K155 | Q153-K155 HydrophobicContact CG-CD 4.39Å; Q153-K155 HydrophobicContact CG-CG 3.85Å |
| 154 | V | 95.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 75 Ų | 75 | 2% | 0.018 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 120.2 | 173.3 | -178.7 | 0 | 0 | 0 | 0 | 107.6 | T78 L117 E119 G120 F159 | T78-V154 HydrophobicContact CG2-CG2 4.22Å; L117-V154 HydrophobicContact CB-CG2 4.32Å; L117-V154 HydrophobicContact CD1-CG2 4.37Å; E119-V154 WeakPolarHBondContact CG-O 2.94Å; G120-V154 PolarHBondContact N-O 2.73Å; G120-V154 PolarHBondContact O-N 3.1Å; V154-F159 HydrophobicContact CG1-CE2 3.59Å; V154-F159 HydrophobicContact CG1-CZ 3.68Å |
| 155 | K | 92.7 | Very high | 92.7 | Very high | 98 Ų | 98 | 70.4 Ų | 70.4 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | trans | -117.7 | 158.7 | 179.3 | -59.6 | -176.2 | -179.1 | 179.2 | 0 | 111.1 | Q153 T157 D158 F159 | Q153-K155 HydrophobicContact CG-CD 4.39Å; Q153-K155 HydrophobicContact CG-CG 3.85Å; K155-T157 PolarHBondContact O-N 2.91Å; K155-D158 WeakPolarHBondContact CB-OD2 2.97Å; K155-D158 PolarHBondContact N-OD2 3.44Å; K155-D158 PolarHBondContact O-N 3.31Å; K155-F159 VanDerWaalsContact O-CD2 3.22Å; K155-F159 WeakPolarHBondContact O-CD2 3.42Å; K155-F159 VanDerWaalsContact O-CE2 3.23Å; K155-F159 WeakPolarHBondContact O-CE2 3.42Å | ||
| 156 | K | 89.7 | Confident | 92.8 | Very high | 127 Ų | 127 | 67.5 Ų | 67.5 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -56.3 | -38.2 | 173.5 | -59 | -167.3 | -178.2 | -177.8 | 0 | 113.3 | R76 E119 D158 F159 | R76-K156 PolarHBondContact NH1-O 2.91Å; E119-K156 VanDerWaalsContact CD-CG 3.46Å; E119-K156 PolarHBondContact OE1-N 3.36Å; E119-K156 WeakPolarHBondContact OE2-CE 3.45Å; E119-K156 WeakPolarHBondContact OE2-CG 3.47Å; K156-D158 PolarHBondContact O-N 3.27Å; K156-F159 PolarHBondContact O-N 3.5Å |
| 157 | T | 90.3 | Very high | 92.8 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 24% | 0.239 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -63.7 | -22.4 | -177.2 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | K155 F159 D163 A164 V167 | K155-T157 PolarHBondContact O-N 2.91Å; T157-F159 PolarHBondContact O-N 3.23Å; T157-D163 HydrophobicContact CG2-CB 4.11Å; T157-A164 WeakPolarHBondContact O-CA 2.98Å; T157-A164 WeakPolarHBondContact O-CB 3.42Å; T157-A164 PolarHBondContact O-N 2.9Å; T157-A164 VanDerWaalsContact O-N 3.09Å; T157-V167 HydrophobicContact CG2-CG2 4.35Å |
| 158 | D | 89.9 | Confident | 92.7 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -74.3 | -8.3 | -174.2 | -55.9 | -28.9 | 0 | 0 | 0 | 112.8 | K155 K156 | K155-D158 WeakPolarHBondContact CB-OD2 2.97Å; K155-D158 PolarHBondContact N-OD2 3.44Å; K155-D158 PolarHBondContact O-N 3.31Å; K156-D158 PolarHBondContact O-N 3.27Å |
| 159 | F | 88.9 | Confident | 92.3 | Very high | 61 Ų | 61 | 68 Ų | 68 | 27% | 0.268 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -20.9 | -174.3 | -58.5 | -85.7 | 0 | 0 | 0 | 113.2 | R76 V154 K155 K156 T157 | R76-F159 HydrophobicContact CB-CD1 3.81Å; R76-F159 HydrophobicContact CB-CD2 4.37Å; R76-F159 HydrophobicContact CB-CE1 3.22Å; R76-F159 HydrophobicContact CB-CE2 3.82Å; R76-F159 HydrophobicContact CB-CG 4.35Å; R76-F159 HydrophobicContact CB-CZ 3.2Å; R76-F159 HydrophobicContact CG-CD1 4.45Å; R76-F159 HydrophobicContact CG-CD2 4.46Å; R76-F159 HydrophobicContact CG-CE1 4.22Å; R76-F159 HydrophobicContact CG-CE2 4.18Å; R76-F159 HydrophobicContact CG-CZ 4.06Å; V154-F159 HydrophobicContact CG1-CE2 3.59Å; V154-F159 HydrophobicContact CG1-CZ 3.68Å; K155-F159 VanDerWaalsContact O-CD2 3.22Å; K155-F159 WeakPolarHBondContact O-CD2 3.42Å; K155-F159 VanDerWaalsContact O-CE2 3.23Å; K155-F159 WeakPolarHBondContact O-CE2 3.42Å; K156-F159 PolarHBondContact O-N 3.5Å; T157-F159 PolarHBondContact O-N 3.23Å |
| 160 | E | 91.7 | Very high | 91.7 | Very high | 119 Ų | 119 | 74.3 Ų | 74.3 | 56% | 0.556 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -92.9 | 113.2 | 170.3 | -70.2 | -57.3 | 148.1 | 0 | 0 | 108.6 | F162 D163 A164 | E160-F162 PolarHBondContact O-N 3.44Å; E160-F162 VanDerWaalsContact O-N 3.15Å; E160-D163 HydrophobicContact CB-CB 4.02Å; E160-D163 PolarHBondContact O-N 3.42Å; E160-A164 PolarHBondContact O-N 3.09Å |
| 161 | V | 91.7 | Very high | 91 | Very high | 99 Ų | 99 | 81.1 Ų | 81.1 | 60% | 0.6 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -56.1 | -39.8 | -169.7 | 177.6 | 0 | 0 | 0 | 0 | 112.2 | L165 | V161-L165 HydrophobicContact CG1-CD1 3.99Å; V161-L165 HydrophobicContact CG1-CG 4.48Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.22Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.19Å |
| 162 | F | 92.1 | Very high | 89.9 | Confident | 170 Ų | 170 | 82.4 Ų | 82.4 | 75% | 0.746 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -69.4 | -37.3 | 179.1 | -64.1 | -64.4 | 0 | 0 | 0 | 112.6 | E160 M166 | E160-F162 PolarHBondContact O-N 3.44Å; E160-F162 VanDerWaalsContact O-N 3.15Å; F162-M166 VanDerWaalsContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CB 3.4Å; F162-M166 PolarHBondContact O-N 3.45Å |
| 163 | D | 92 | Very high | 88.1 | Confident | 64 Ų | 64 | 85.2 Ų | 85.2 | 34% | 0.342 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -71.4 | -42.1 | 178.5 | -68.1 | -16.6 | 0 | 0 | 0 | 111.1 | T157 E160 L165 M166 V167 | T157-D163 HydrophobicContact CG2-CB 4.11Å; E160-D163 HydrophobicContact CB-CB 4.02Å; E160-D163 PolarHBondContact O-N 3.42Å; D163-L165 PolarHBondContact O-N 2.92Å; D163-M166 PolarHBondContact O-N 3.04Å; D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.2Å |
| 164 | A | 92.4 | Very high | 86.2 | Confident | 22 Ų | 22 | 86.6 Ų | 86.6 | 18% | 0.182 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | T157 E160 M166 V167 D168 | T157-A164 WeakPolarHBondContact O-CA 2.98Å; T157-A164 WeakPolarHBondContact O-CB 3.42Å; T157-A164 PolarHBondContact O-N 2.9Å; T157-A164 VanDerWaalsContact O-N 3.09Å; E160-A164 PolarHBondContact O-N 3.09Å; A164-M166 VanDerWaalsContact C-N 3.33Å; A164-M166 PolarHBondContact O-N 3.25Å; A164-V167 PolarHBondContact O-N 3.02Å; A164-D168 PolarHBondContact O-N 3.3Å |
| 165 | L | 91.6 | Very high | 84.3 | Confident | 108 Ų | 108 | 89.7 Ų | 89.7 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.8 | -39 | 177.6 | -73.1 | 173.7 | 0 | 0 | 0 | 112.3 | V161 D163 D168 S169 | V161-L165 HydrophobicContact CG1-CD1 3.99Å; V161-L165 HydrophobicContact CG1-CG 4.48Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.22Å; V161-L165 WeakPolarHBondContact O-CG 3.33Å; V161-L165 PolarHBondContact O-N 3.19Å; D163-L165 PolarHBondContact O-N 2.92Å; L165-D168 PolarHBondContact O-N 3.14Å; L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.19Å; L165-S169 PolarHBondContact O-OG 3.15Å |
| 166 | M | 88.9 | Confident | 82.4 | Confident | 97 Ų | 97 | 87.8 Ų | 87.8 | 48% | 0.478 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -48 | 176.4 | 177.2 | 174.2 | 54.6 | 0 | 0 | 111.2 | F162 D163 A164 D168 S169 Q170 | F162-M166 VanDerWaalsContact O-CB 3.28Å; F162-M166 WeakPolarHBondContact O-CB 3.4Å; F162-M166 PolarHBondContact O-N 3.45Å; D163-M166 PolarHBondContact O-N 3.04Å; A164-M166 VanDerWaalsContact C-N 3.33Å; A164-M166 PolarHBondContact O-N 3.25Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 3.35Å; M166-S169 PolarHBondContact O-N 2.99Å; M166-S169 PolarHBondContact O-OG 2.77Å; M166-Q170 WeakPolarHBondContact O-CG 3.17Å; M166-Q170 PolarHBondContact O-N 3.37Å |
| 167 | V | 89.3 | Confident | 80.6 | Confident | 34 Ų | 34 | 87.9 Ų | 87.9 | 21% | 0.206 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -61.3 | -42 | 178.4 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | T157 D163 A164 Q170 K171 | T157-V167 HydrophobicContact CG2-CG2 4.35Å; D163-V167 WeakPolarHBondContact O-CG2 3.44Å; D163-V167 PolarHBondContact O-N 3.2Å; A164-V167 PolarHBondContact O-N 3.02Å; V167-Q170 PolarHBondContact O-N 3.08Å; V167-K171 PolarHBondContact O-N 3.31Å |
| 168 | D | 89.2 | Confident | 78.9 | Confident | 85 Ų | 85 | 93.2 Ų | 93.2 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.6 | -36.1 | -179.7 | -74.5 | -15.8 | 0 | 0 | 0 | 112.7 | A164 L165 M166 Q170 K171 S172 | A164-D168 PolarHBondContact O-N 3.3Å; L165-D168 PolarHBondContact O-N 3.14Å; M166-D168 VanDerWaalsContact C-N 3.32Å; M166-D168 PolarHBondContact O-N 3.35Å; D168-Q170 PolarHBondContact O-N 3.06Å; D168-K171 PolarHBondContact O-N 3.09Å; D168-K171 VanDerWaalsContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 2.84Å; D168-K171 PolarHBondContact OD1-NZ 3.32Å; D168-S172 PolarHBondContact O-N 3.22Å; D168-S172 VanDerWaalsContact O-N 3.09Å |
| 169 | S | 87.6 | Confident | 77.5 | Confident | 50 Ų | 50 | 92.8 Ų | 92.8 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -29 | 175 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | L165 M166 S172 | L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.19Å; L165-S169 PolarHBondContact O-OG 3.15Å; M166-S169 PolarHBondContact O-N 2.99Å; M166-S169 PolarHBondContact O-OG 2.77Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 PolarHBondContact O-OG 3.45Å |
| 170 | Q | 85.2 | Confident | 76.2 | Confident | 144 Ų | 144 | 96 Ų | 96 | 67% | 0.673 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -77.7 | -29.2 | 176.2 | -68.1 | 176.6 | 2.2 | 0 | 0 | 112.4 | M166 V167 D168 | M166-Q170 WeakPolarHBondContact O-CG 3.17Å; M166-Q170 PolarHBondContact O-N 3.37Å; V167-Q170 PolarHBondContact O-N 3.08Å; D168-Q170 PolarHBondContact O-N 3.06Å |
| 171 | K | 82.9 | Confident | 75 | Confident | 143 Ų | 143 | 92.9 Ų | 92.9 | 62% | 0.622 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -72.1 | -37.1 | 174.5 | -65.2 | 173.6 | -164.9 | 153.1 | 0 | 111 | V167 D168 S173 | V167-K171 PolarHBondContact O-N 3.31Å; D168-K171 PolarHBondContact O-N 3.09Å; D168-K171 VanDerWaalsContact O-N 3.07Å; D168-K171 IonicContact OD1-NZ 2.84Å; D168-K171 PolarHBondContact OD1-NZ 3.32Å; K171-S173 PolarHBondContact O-N 2.82Å; K171-S173 VanDerWaalsContact O-N 3.13Å |
| 172 | S | 73.3 | Confident | 74 | Confident | 61 Ų | 61 | 93.1 Ų | 93.1 | 43% | 0.427 | 53% | 0.528 | S | S | . | . | trans | -82.2 | 82.9 | 169.6 | 65.8 | 0 | 0 | 0 | 0 | 110 | D168 S169 D174 V175 | D168-S172 PolarHBondContact O-N 3.22Å; D168-S172 VanDerWaalsContact O-N 3.09Å; S169-S172 CarbonylContact O-C 3.57Å; S169-S172 PolarHBondContact O-OG 3.45Å; S172-D174 PolarHBondContact O-N 3.25Å; S172-V175 PolarHBondContact O-N 3.32Å | ||
| 173 | S | 59.2 | Low | 73.2 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -58.9 | 2.6 | 172.3 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | K171 V175 | K171-S173 PolarHBondContact O-N 2.82Å; K171-S173 VanDerWaalsContact O-N 3.13Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 3.36Å |
| 174 | D | 56 | Low | 72.7 | Confident | 119 Ų | 119 | 89.5 Ų | 89.5 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -83.1 | 8.9 | 175.9 | -133.4 | 9.5 | 0 | 0 | 0 | 113.9 | S172 S176 D177 | S172-D174 PolarHBondContact O-N 3.25Å; D174-S176 PolarHBondContact O-N 3.44Å; D174-D177 PolarHBondContact O-N 3.13Å |
| 175 | V | 55.6 | Low | 72.5 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 41% | 0.406 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -68.2 | -10.9 | 174.7 | -66.7 | 0 | 0 | 0 | 0 | 113.5 | S172 S173 D177 L178 | S172-V175 PolarHBondContact O-N 3.32Å; S173-V175 VanDerWaalsContact C-N 3.26Å; S173-V175 PolarHBondContact O-N 3.36Å; V175-D177 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.14Å; V175-L178 VanDerWaalsContact O-N 3.1Å |
| 176 | S | 53.1 | Low | 72.4 | Confident | 58 Ų | 58 | 98.8 Ų | 98.8 | 41% | 0.406 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -55.5 | -30.2 | 174.2 | -51.8 | 0 | 0 | 0 | 0 | 112.3 | D174 | D174-S176 PolarHBondContact O-N 3.44Š|
| 177 | D | 52 | Low | 72.4 | Confident | 129 Ų | 129 | 100.5 Ų | 100.5 | 69% | 0.69 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -84.8 | -9.2 | -177.7 | -75.3 | -5 | 0 | 0 | 0 | 113.8 | D174 V175 | D174-D177 PolarHBondContact O-N 3.13Å; V175-D177 PolarHBondContact O-N 3.34Å |
| 178 | L | 54.2 | Low | 72.6 | Confident | 151 Ų | 151 | 108.4 Ų | 108.4 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -12.8 | 177.4 | -58.7 | -179.1 | 0 | 0 | 0 | 112.9 | V175 S180 | V175-L178 PolarHBondContact O-N 3.14Å; V175-L178 VanDerWaalsContact O-N 3.1Å; L178-S180 PolarHBondContact O-N 3.39Å |
| 179 | S | 59.6 | Low | 72.7 | Confident | 65 Ų | 65 | 110.5 Ų | 110.5 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | trans | -69.9 | 125.3 | 173.2 | 174.3 | 0 | 0 | 0 | 0 | 109.6 | S181 | S179-S181 WeakPolarHBondContact CB-O 3.41Å; S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.12Å; S179-S181 VanDerWaalsContact OG-N 3.14Å; S179-S181 PolarHBondContact OG-O 3.07Å | ||
| 180 | S | 62.7 | Low | 72.8 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 90% | 0.895 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -65.6 | -12.9 | 170.6 | 58.5 | 0 | 0 | 0 | 0 | 113.1 | L178 | L178-S180 PolarHBondContact O-N 3.39Š|
| 181 | S | 65.8 | Low | 72.9 | Confident | 55 Ų | 55 | 112.4 Ų | 112.4 | 39% | 0.385 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -101.3 | 134.7 | 173.2 | -59.5 | 0 | 0 | 0 | 0 | 109.5 | S179 | S179-S181 WeakPolarHBondContact CB-O 3.41Å; S179-S181 PolarHBondContact O-N 3.44Å; S179-S181 PolarHBondContact OG-N 3.12Å; S179-S181 VanDerWaalsContact OG-N 3.14Å; S179-S181 PolarHBondContact OG-O 3.07Å |
| 182 | P | 71.1 | Confident | 73.1 | Confident | 104 Ų | 104 | 111.1 Ų | 111.1 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -50 | 140.2 | 174 | -25.4 | 33.3 | 0 | 0 | 0 | 111.3 | ||
| 183 | P | 76.3 | Confident | 73.5 | Confident | 99 Ų | 99 | 112 Ų | 112 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -64.2 | 139.8 | 177.1 | 26.3 | -33.5 | 0 | 0 | 0 | 110.6 | ||
| 184 | G | 81.7 | Confident | 74.5 | Confident | 59 Ų | 59 | 113.7 Ų | 113.7 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | S | Bend | trans | 99.4 | 173.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 185 | P | 87.3 | Confident | 75.5 | Confident | 114 Ų | 114 | 115.4 Ų | 115.4 | 74% | 0.74 | 65% | 0.648 | S | S | * | * | trans | -71.3 | 151.3 | 177.8 | 30.2 | -34.5 | 0 | 0 | 0 | 111.6 | H187 | P185-H187 PolarHBondContact O-N 3.23Š| ||
| 186 | Y | 89 | Confident | 76.4 | Confident | 211 Ų | 211 | 118.9 Ų | 118.9 | 83% | 0.827 | 66% | 0.664 | S | S | * | * | trans | -63.8 | 130.5 | 169.7 | -68.9 | -87.2 | 0 | 0 | 0 | 110.4 | ||||
| 187 | H | 88.9 | Confident | 77.2 | Confident | 133 Ų | 133 | 119.6 Ų | 119.6 | 62% | 0.616 | 66% | 0.661 | S | S | * | * | trans | -134.4 | 164 | 175.6 | 61.3 | 77.2 | 0 | 0 | 0 | 110.8 | P185 D189 | P185-H187 PolarHBondContact O-N 3.23Å; H187-D189 PolarHBondContact CE1-O 3.3Å; H187-D189 PolarHBondContact ND1-N 3.2Å; H187-D189 PolarHBondContact ND1-O 3.11Å | ||
| 188 | Q | 93.8 | Very high | 77.8 | Confident | 200 Ų | 200 | 120 Ų | 120 | 94% | 0.935 | 66% | 0.657 | S | S | * | * | trans | -97.4 | -7.3 | 179.3 | -67.3 | -178.1 | -13.1 | 0 | 0 | 113.1 | A190 | Q188-A190 PolarHBondContact O-N 2.79Š| ||
| 189 | D | 91.7 | Very high | 78.6 | Confident | 129 Ų | 129 | 121.8 Ų | 121.8 | 69% | 0.69 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -64.8 | 133.7 | 179.8 | -58 | -47.9 | 0 | 0 | 0 | 111 | H187 | H187-D189 PolarHBondContact CE1-O 3.3Å; H187-D189 PolarHBondContact ND1-N 3.2Å; H187-D189 PolarHBondContact ND1-O 3.11Å |
| 190 | A | 89.1 | Confident | 79.8 | Confident | 90 Ų | 90 | 126.1 Ų | 126.1 | 74% | 0.744 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 137.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q188 V192 | Q188-A190 PolarHBondContact O-N 2.79Å; A190-V192 PolarHBondContact O-N 2.73Å |
| 191 | Y | 87 | Confident | 81 | Confident | 143 Ų | 143 | 125 Ų | 125 | 56% | 0.561 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 131.3 | 175.6 | -176.9 | -109.1 | 0 | 0 | 0 | 111.1 | E197 | Y191-E197 WeakPolarHBondContact CE1-OE2 3.38Å; Y191-E197 PolarHBondContact OH-OE2 2.96Å |
| 192 | V | 87.4 | Confident | 82.2 | Confident | 117 Ų | 117 | 127.6 Ų | 127.6 | 71% | 0.709 | 68% | 0.677 | S | S | * | * | trans | -102.2 | 113 | 175 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | A190 K194 | A190-V192 PolarHBondContact O-N 2.73Å; V192-K194 PolarHBondContact O-N 3.33Å | ||
| 193 | P | 81.2 | Confident | 83.2 | Confident | 78 Ų | 78 | 128.6 Ų | 128.6 | 51% | 0.506 | 68% | 0.684 | S | S | . | * | trans | -60.3 | 128.6 | -177.9 | -24.1 | 33.6 | 0 | 0 | 0 | 112.7 | ||||
| 194 | K | 82.2 | Confident | 84.2 | Confident | 139 Ų | 139 | 131.5 Ų | 131.5 | 60% | 0.604 | 69% | 0.692 | S | S | * | * | trans | -68.7 | 153.4 | 172.3 | -63.5 | 177.2 | -176.1 | 172.8 | 0 | 110.2 | V192 D196 E197 | V192-K194 PolarHBondContact O-N 3.33Å; K194-D196 PolarHBondContact O-N 3.35Å; K194-E197 HydrophobicContact CB-CG 4.44Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.09Å | ||
| 195 | Q | 76.7 | Confident | 84.9 | Confident | 154 Ų | 154 | 133.7 Ų | 133.7 | 72% | 0.72 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -57.5 | -35.6 | -178.6 | -73.8 | -174.5 | -29.4 | 0 | 0 | 112.8 | E197 K198 | Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.45Å; Q195-K198 PolarHBondContact O-N 3.41Å |
| 196 | D | 73.5 | Confident | 85.4 | Confident | 141 Ų | 141 | 131.2 Ų | 131.2 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -73.8 | -15.5 | 179.9 | -55.5 | -41.2 | 0 | 0 | 0 | 114.2 | K194 | K194-D196 PolarHBondContact O-N 3.35Š|
| 197 | E | 71.1 | Confident | 85.8 | Confident | 73 Ų | 73 | 125.3 Ų | 125.3 | 34% | 0.341 | 66% | 0.66 | S | S | . | * | G | 310 helix | trans | -95.3 | -12.8 | 179.7 | -66.3 | -170.2 | 149.9 | 0 | 0 | 113.2 | Y191 K194 Q195 F199 K200 | Y191-E197 WeakPolarHBondContact CE1-OE2 3.38Å; Y191-E197 PolarHBondContact OH-OE2 2.96Å; K194-E197 HydrophobicContact CB-CG 4.44Å; K194-E197 PolarHBondContact O-N 3.47Å; K194-E197 VanDerWaalsContact O-N 3.09Å; Q195-E197 VanDerWaalsContact C-N 3.3Å; Q195-E197 PolarHBondContact O-N 3.45Å; E197-F199 PolarHBondContact O-N 3.14Å; E197-K200 PolarHBondContact O-N 2.84Å |
| 198 | K | 64.3 | Low | 86.2 | Confident | 138 Ų | 138 | 123 Ų | 123 | 60% | 0.6 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -18.8 | -178 | -70.9 | -176.2 | 179.1 | -176.4 | 0 | 113.8 | Q195 | Q195-K198 PolarHBondContact O-N 3.41Š|
| 199 | F | 71.4 | Confident | 86.3 | Confident | 188 Ų | 188 | 114.9 Ų | 114.9 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 0.8 | -178.3 | -57.4 | -74.6 | 0 | 0 | 0 | 113.8 | E197 S201 | E197-F199 PolarHBondContact O-N 3.14Å; F199-S201 PolarHBondContact O-N 3.22Å |
| 200 | K | 83.9 | Confident | 86.6 | Confident | 155 Ų | 155 | 114.4 Ų | 114.4 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -86 | 113.8 | 176.9 | -63.9 | -175.4 | -178.1 | 179.9 | 0 | 109.2 | E197 | E197-K200 PolarHBondContact O-N 2.84Š| ||
| 201 | S | 87.8 | Confident | 86.8 | Confident | 104 Ų | 104 | 114.9 Ų | 114.9 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 148.8 | 170.2 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | F199 | F199-S201 PolarHBondContact O-N 3.22Š|
| 202 | P | 90.6 | Very high | 87.2 | Confident | 110 Ų | 110 | 109.6 Ų | 109.6 | 71% | 0.714 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -59 | 152.1 | 172.3 | 26.8 | -34.7 | 0 | 0 | 0 | 110.7 | ||
| 203 | P | 93.4 | Very high | 87.6 | Confident | 126 Ų | 126 | 104.3 Ų | 104.3 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 146.5 | 178.3 | 26.8 | -34.3 | 0 | 0 | 0 | 111 | ||
| 204 | I | 96.9 | Very high | 88.2 | Confident | 160 Ų | 160 | 103.7 Ų | 103.7 | 82% | 0.821 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 137.1 | 176.2 | -59.7 | 170.9 | 0 | 0 | 0 | 109 | P206 | I204-P206 WeakPolarHBondContact O-CD 3.49Š|
| 205 | L | 96.4 | Very high | 88.8 | Confident | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 122 | 176.8 | 179.4 | 67.1 | 0 | 0 | 0 | 110.7 | L209 L210 | L205-L209 HydrophobicContact CD1-CB 4.35Å; L205-L209 HydrophobicContact CD1-CD1 3.92Å; L205-L210 HydrophobicContact CD2-CD2 3.73Å; L205-L210 HydrophobicContact CD2-CG 4.27Å |
| 206 | P | 97.2 | Very high | 89.6 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 128.3 | 175.4 | -24.2 | 34.7 | 0 | 0 | 0 | 111 | I204 H208 L209 | I204-P206 WeakPolarHBondContact O-CD 3.49Å; P206-H208 PolarHBondContact O-N 2.76Å; P206-L209 PolarHBondContact O-N 3.21Å; P206-L209 VanDerWaalsContact O-N 3.08Å |
| 207 | P | 97.3 | Very high | 90.4 | Very high | 87 Ų | 87 | 101.4 Ų | 101.4 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -64.3 | -19.5 | -174.3 | 25.1 | -35.1 | 0 | 0 | 0 | 113.4 | L209 L210 | P207-L209 PolarHBondContact O-N 2.98Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-L210 VanDerWaalsContact O-N 3.09Å |
| 208 | H | 97 | Very high | 91.2 | Very high | 85 Ų | 85 | 100.8 Ų | 100.8 | 39% | 0.394 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -59.6 | -32.3 | 174.8 | -61.5 | 94.1 | 0 | 0 | 0 | 112.9 | P206 L210 Q211 | P206-H208 PolarHBondContact O-N 2.76Å; H208-L210 PolarHBondContact O-N 3.18Å; H208-Q211 PolarHBondContact O-N 3.35Å |
| 209 | L | 97.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 96.4 Ų | 96.4 | 15% | 0.152 | 53% | 0.529 | C | S | . | . | G | 310 helix | trans | -73.2 | -11.8 | 178.6 | -60.5 | -176.5 | 0 | 0 | 0 | 112.8 | L205 P206 P207 Q211 M234 H237 Y239 | L205-L209 HydrophobicContact CD1-CB 4.35Å; L205-L209 HydrophobicContact CD1-CD1 3.92Å; P206-L209 PolarHBondContact O-N 3.21Å; P206-L209 VanDerWaalsContact O-N 3.08Å; P207-L209 PolarHBondContact O-N 2.98Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; L209-M234 HydrophobicContact CD2-CB 4.44Å; L209-H237 HydrophobicContact CD2-CB 4.44Å; L209-Y239 WeakPolarHBondContact O-CE1 3.26Å; L209-Y239 PolarHBondContact O-OH 2.84Å |
| 210 | L | 96.6 | Very high | 93.1 | Very high | 119 Ų | 119 | 96.2 Ų | 96.2 | 62% | 0.623 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -83.5 | -12.6 | 174.6 | -58.3 | 174.8 | 0 | 0 | 0 | 112.2 | L205 P207 H208 V212 | L205-L210 HydrophobicContact CD2-CD2 3.73Å; L205-L210 HydrophobicContact CD2-CG 4.27Å; P207-L210 WeakPolarHBondContact O-CB 3.42Å; P207-L210 PolarHBondContact O-N 3.41Å; P207-L210 VanDerWaalsContact O-N 3.09Å; H208-L210 PolarHBondContact O-N 3.18Å; L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.37Å |
| 211 | Q | 94.1 | Very high | 93.4 | Very high | 100 Ų | 100 | 94.8 Ų | 94.8 | 47% | 0.467 | 54% | 0.544 | S | S | . | . | trans | -86.6 | 65.1 | -177.3 | -61.3 | -174.9 | 5.9 | 0 | 0 | 112.2 | H208 L209 I213 M234 | H208-Q211 PolarHBondContact O-N 3.35Å; L209-Q211 VanDerWaalsContact C-N 3.33Å; Q211-I213 PolarHBondContact O-N 3.31Å; Q211-M234 WeakPolarHBondContact O-CE 3.11Å | ||
| 212 | V | 94.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 92.3 Ų | 92.3 | 19% | 0.194 | 53% | 0.526 | C | S | . | . | trans | -58.3 | 120.3 | -176.3 | -171.3 | 0 | 0 | 0 | 0 | 111.6 | L210 L214 N215 Y239 | L210-V212 VanDerWaalsContact C-N 3.32Å; L210-V212 PolarHBondContact O-N 3.37Å; V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 HydrophobicContact CG1-CB 4.38Å; V212-L214 PolarHBondContact O-N 3.05Å; V212-N215 HydrophobicContact CB-CB 4.12Å; V212-N215 HydrophobicContact CG1-CB 4.45Å; V212-N215 PolarHBondContact O-N 3.48Å; V212-Y239 HydrophobicContact CB-CD1 4.38Å; V212-Y239 HydrophobicContact CB-CE1 4.38Å; V212-Y239 HydrophobicContact CG1-CD1 4Å; V212-Y239 HydrophobicContact CG1-CE1 4.39Å; V212-Y239 HydrophobicContact CG1-CG 4.39Å; V212-Y239 HydrophobicContact CG2-CD1 3.77Å; V212-Y239 HydrophobicContact CG2-CE1 3.75Å | ||
| 213 | I | 95.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 91.5 Ų | 91.5 | 3% | 0.031 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -64.4 | -34.4 | -176.6 | -170.8 | 166.3 | 0 | 0 | 0 | 113.1 | Q211 N215 K216 L227 P228 P230 M234 | Q211-I213 PolarHBondContact O-N 3.31Å; I213-N215 VanDerWaalsContact C-N 3.25Å; I213-N215 PolarHBondContact O-N 3.46Å; I213-K216 PolarHBondContact O-N 2.84Å; I213-L227 HydrophobicContact CD1-CB 4.03Å; I213-L227 HydrophobicContact CD1-CD1 4.48Å; I213-L227 HydrophobicContact CG1-CB 4.34Å; I213-P228 HydrophobicContact CD1-CG 4.28Å; I213-P228 VanDerWaalsContact CD1-O 3.26Å; I213-P228 WeakPolarHBondContact CD1-O 3.22Å; I213-P228 HydrophobicContact CG1-CG 4.04Å; I213-P230 HydrophobicContact CD1-CB 3.95Å; I213-M234 HydrophobicContact CB-CE 4.35Å; I213-M234 HydrophobicContact CB-SD 4.28Å; I213-M234 HydrophobicContact CG2-SD 4.47Å |
| 214 | L | 95.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 91.3 Ų | 91.3 | 34% | 0.34 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -74.4 | -14.2 | 179.3 | -65.5 | 175.8 | 0 | 0 | 0 | 113.4 | V212 L227 T262 L264 | V212-L214 VanDerWaalsContact C-N 3.31Å; V212-L214 HydrophobicContact CG1-CB 4.38Å; V212-L214 PolarHBondContact O-N 3.05Å; L214-L227 HydrophobicContact CD2-CD1 3.91Å; L214-L227 HydrophobicContact CD2-CD2 4.23Å; L214-T262 HydrophobicContact CD1-CG2 3.99Å; L214-T262 HydrophobicContact CD2-CG2 3.95Å; L214-T262 HydrophobicContact CG-CG2 4.06Å; L214-L264 HydrophobicContact CD1-CD1 3.98Å; L214-L264 HydrophobicContact CD1-CD2 4.39Å; L214-L264 HydrophobicContact CD1-CG 4.26Å; L214-L264 HydrophobicContact CD2-CD1 4.36Å |
| 215 | N | 94.8 | Very high | 93.7 | Very high | 120 Ų | 120 | 87.6 Ų | 87.6 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -92.8 | 0.9 | 175.8 | -66 | -3.6 | 0 | 0 | 0 | 112.2 | V212 I213 | V212-N215 HydrophobicContact CB-CB 4.12Å; V212-N215 HydrophobicContact CG1-CB 4.45Å; V212-N215 PolarHBondContact O-N 3.48Å; I213-N215 VanDerWaalsContact C-N 3.25Å; I213-N215 PolarHBondContact O-N 3.46Å |
| 216 | K | 91.9 | Very high | 93.6 | Very high | 99 Ų | 99 | 87.4 Ų | 87.4 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -90.1 | 128.4 | 177.5 | -64.8 | -174.8 | 178.6 | -177.2 | 0 | 109.3 | I213 T218 P228 | I213-K216 PolarHBondContact O-N 2.84Å; K216-T218 PolarHBondContact O-N 2.83Å; K216-P228 HydrophobicContact CD-CG 4.39Å |
| 217 | D | 90.4 | Very high | 93.6 | Very high | 167 Ų | 167 | 87.7 Ų | 87.7 | 89% | 0.893 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 134.1 | 171.7 | -63.1 | -47.3 | 0 | 0 | 0 | 110.3 | ||
| 218 | T | 88.8 | Confident | 93.5 | Very high | 60 Ų | 60 | 86.1 Ų | 86.1 | 37% | 0.368 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 152 | 171.1 | 55.5 | 0 | 0 | 0 | 0 | 109.8 | K216 I220 | K216-T218 PolarHBondContact O-N 2.83Å; T218-I220 PolarHBondContact O-N 3.14Å |
| 219 | G | 86.7 | Confident | 93.4 | Very high | 46 Ų | 46 | 89.5 Ų | 89.5 | 47% | 0.474 | 51% | 0.51 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 134.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S221 C222 | G219-S221 PolarHBondContact O-N 3.45Å; G219-C222 PolarHBondContact O-N 2.72Å; G219-C222 PolarHBondContact O-SG 3.31Å |
| 220 | I | 88.3 | Confident | 93.5 | Very high | 184 Ų | 184 | 88.7 Ų | 88.7 | 94% | 0.944 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -19.1 | -174.9 | -34.8 | 163.7 | 0 | 0 | 0 | 112.6 | T218 | T218-I220 PolarHBondContact O-N 3.14Š|
| 221 | S | 91.1 | Very high | 93.5 | Very high | 125 Ų | 125 | 86 Ų | 86 | 87% | 0.874 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | -179.1 | 62.1 | 0 | 0 | 0 | 0 | 115 | G219 | G219-S221 PolarHBondContact O-N 3.45Š|
| 222 | C | 91.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 87.4 Ų | 87.4 | 36% | 0.358 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -100.7 | 162.7 | -178 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | G219 | G219-C222 PolarHBondContact O-N 2.72Å; G219-C222 PolarHBondContact O-SG 3.31Å |
| 223 | D | 94.4 | Very high | 93.8 | Very high | 93 Ų | 93 | 88.7 Ų | 88.7 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | trans | -59.7 | 128.3 | 176 | 175.9 | -15.9 | 0 | 0 | 0 | 110.2 | A225 L226 | D223-A225 PolarHBondContact O-N 2.92Å; D223-A225 VanDerWaalsContact O-N 3.1Å; D223-A225 WeakPolarHBondContact OD1-CB 3.43Å; D223-A225 PolarHBondContact OD1-N 2.98Å; D223-L226 HydrophobicContact CB-CD1 3.81Å; D223-L226 HydrophobicContact CB-CG 3.89Å; D223-L226 WeakPolarHBondContact O-CB 3.06Å; D223-L226 PolarHBondContact O-N 2.84Å | ||
| 224 | P | 93.5 | Very high | 93.8 | Very high | 121 Ų | 121 | 88.8 Ų | 88.8 | 79% | 0.786 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -21.9 | -179.4 | -25.5 | 34.4 | 0 | 0 | 0 | 115.5 | L226 | P224-L226 VanDerWaalsContact C-N 3.3Š|
| 225 | A | 94.5 | Very high | 93.9 | Very high | 83 Ų | 83 | 86.4 Ų | 86.4 | 69% | 0.686 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -10.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D223 | D223-A225 PolarHBondContact O-N 2.92Å; D223-A225 VanDerWaalsContact O-N 3.1Å; D223-A225 WeakPolarHBondContact OD1-CB 3.43Å; D223-A225 PolarHBondContact OD1-N 2.98Å |
| 226 | L | 95.6 | Very high | 94 | Very high | 99 Ų | 99 | 86.3 Ų | 86.3 | 52% | 0.518 | 49% | 0.494 | S | S | . | . | trans | -84.2 | 132.9 | 178.7 | -64.5 | 176.6 | 0 | 0 | 0 | 110.9 | D223 P224 | D223-L226 HydrophobicContact CB-CD1 3.81Å; D223-L226 HydrophobicContact CB-CG 3.89Å; D223-L226 WeakPolarHBondContact O-CB 3.06Å; D223-L226 PolarHBondContact O-N 2.84Å; P224-L226 VanDerWaalsContact C-N 3.3Å | ||
| 227 | L | 96.1 | Very high | 94.3 | Very high | 68 Ų | 68 | 85.4 Ų | 85.4 | 36% | 0.356 | 49% | 0.492 | S | S | . | . | trans | -114.5 | 154.6 | 173.3 | -66.3 | 175 | 0 | 0 | 0 | 109.6 | I213 L214 T262 | I213-L227 HydrophobicContact CD1-CB 4.03Å; I213-L227 HydrophobicContact CD1-CD1 4.48Å; I213-L227 HydrophobicContact CG1-CB 4.34Å; L214-L227 HydrophobicContact CD2-CD1 3.91Å; L214-L227 HydrophobicContact CD2-CD2 4.23Å; L227-T262 HydrophobicContact CD1-CG2 4.35Å; L227-T262 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 228 | P | 95.3 | Very high | 94.7 | Very high | 55 Ų | 55 | 83.2 Ų | 83.2 | 36% | 0.357 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 165.1 | 172.5 | 28.1 | -35.4 | 0 | 0 | 0 | 111.4 | I213 K216 P230 | I213-P228 HydrophobicContact CD1-CG 4.28Å; I213-P228 VanDerWaalsContact CD1-O 3.26Å; I213-P228 WeakPolarHBondContact CD1-O 3.22Å; I213-P228 HydrophobicContact CG1-CG 4.04Å; K216-P228 HydrophobicContact CD-CG 4.39Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å |
| 229 | E | 96.3 | Very high | 95.1 | Very high | 155 Ų | 155 | 81.9 Ų | 81.9 | 72% | 0.724 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 124.4 | 175.8 | -173.5 | 171 | -173.9 | 0 | 0 | 110.9 | Y260 | E229-Y260 HydrophobicContact CG-CD2 4.49Å; E229-Y260 HydrophobicContact CG-CE2 3.92Å |
| 230 | P | 97.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 83 Ų | 83 | 8% | 0.078 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 153 | 177.7 | 30.8 | -35.2 | 0 | 0 | 0 | 111.7 | I213 P228 M234 L235 T253 Y260 | I213-P230 HydrophobicContact CD1-CB 3.95Å; P228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-M234 HydrophobicContact CB-CG 4.24Å; P230-M234 HydrophobicContact CB-SD 3.76Å; P230-L235 HydrophobicContact CB-CD2 4.13Å; P230-L235 HydrophobicContact CG-CD2 3.91Å; P230-T253 HydrophobicContact CB-CG2 4.32Å; P230-T253 HydrophobicContact CG-CG2 4.08Å; P230-Y260 HydrophobicContact CG-CD1 3.69Å; P230-Y260 HydrophobicContact CG-CD2 3.93Å; P230-Y260 HydrophobicContact CG-CE1 4.18Å; P230-Y260 HydrophobicContact CG-CE2 4.39Å; P230-Y260 HydrophobicContact CG-CG 3.54Å |
| 231 | N | 97 | Very high | 96.1 | Very high | 62 Ų | 62 | 79.5 Ų | 79.5 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 137 | 166.6 | -170.9 | -32.4 | 0 | 0 | 0 | 109.6 | V233 M234 | N231-V233 PolarHBondContact O-N 3.12Å; N231-V233 VanDerWaalsContact O-N 3.11Å; N231-V233 PolarHBondContact OD1-N 3.18Å; N231-M234 HydrophobicContact CB-CG 4.43Å; N231-M234 WeakPolarHBondContact O-CG 3.28Å; N231-M234 PolarHBondContact O-N 3.41Å; N231-M234 VanDerWaalsContact O-N 3.12Å |
| 232 | H | 97.3 | Very high | 96.3 | Very high | 131 Ų | 131 | 78.5 Ų | 78.5 | 61% | 0.606 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -57.3 | -29.2 | -178.6 | 70.1 | -85.1 | 0 | 0 | 0 | 113.6 | M234 L235 | H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 2.87Å; H232-L235 HydrophobicContact CB-CD1 4.49Å; H232-L235 WeakPolarHBondContact O-CB 3.45Å; H232-L235 WeakPolarHBondContact O-CG 3.2Å; H232-L235 PolarHBondContact O-N 2.75Å |
| 233 | V | 97.5 | Very high | 96.6 | Very high | 59 Ų | 59 | 80.4 Ų | 80.4 | 36% | 0.358 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -70.2 | -25 | -179 | -177.7 | 0 | 0 | 0 | 0 | 112.9 | N231 H237 | N231-V233 PolarHBondContact O-N 3.12Å; N231-V233 VanDerWaalsContact O-N 3.11Å; N231-V233 PolarHBondContact OD1-N 3.18Å; V233-H237 PolarHBondContact O-CD2 2.8Å; V233-H237 PolarHBondContact O-NE2 3.02Å |
| 234 | M | 96.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 83.2 Ų | 83.2 | 4% | 0.039 | 46% | 0.461 | C | S | . | . | G | 310 helix | trans | -86.8 | -6.8 | 179.3 | 62.7 | 144.1 | 45 | 0 | 0 | 113.9 | L209 Q211 I213 P230 N231 H232 H237 | L209-M234 HydrophobicContact CD2-CB 4.44Å; Q211-M234 WeakPolarHBondContact O-CE 3.11Å; I213-M234 HydrophobicContact CB-CE 4.35Å; I213-M234 HydrophobicContact CB-SD 4.28Å; I213-M234 HydrophobicContact CG2-SD 4.47Å; P230-M234 HydrophobicContact CB-CG 4.24Å; P230-M234 HydrophobicContact CB-SD 3.76Å; N231-M234 HydrophobicContact CB-CG 4.43Å; N231-M234 WeakPolarHBondContact O-CG 3.28Å; N231-M234 PolarHBondContact O-N 3.41Å; N231-M234 VanDerWaalsContact O-N 3.12Å; H232-M234 VanDerWaalsContact C-N 3.32Å; H232-M234 PolarHBondContact O-N 2.87Å; M234-H237 PolarHBondContact O-N 2.91Å |
| 235 | L | 97.5 | Very high | 96.7 | Very high | 14 Ų | 14 | 85.3 Ų | 85.3 | 7% | 0.073 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | 147.7 | 179.8 | -57.6 | 177.5 | 0 | 0 | 0 | 110 | P230 H232 H237 T253 R255 Y260 | P230-L235 HydrophobicContact CB-CD2 4.13Å; P230-L235 HydrophobicContact CG-CD2 3.91Å; H232-L235 HydrophobicContact CB-CD1 4.49Å; H232-L235 WeakPolarHBondContact O-CB 3.45Å; H232-L235 WeakPolarHBondContact O-CG 3.2Å; H232-L235 PolarHBondContact O-N 2.75Å; L235-H237 PolarHBondContact O-CD2 2.99Å; L235-H237 PolarHBondContact O-N 2.95Å; L235-H237 VanDerWaalsContact O-N 3.13Å; L235-T253 WeakPolarHBondContact CA-O 3.49Å; L235-T253 HydrophobicContact CD2-CG2 3.52Å; L235-R255 HydrophobicContact CD1-CB 4.17Å; L235-Y260 HydrophobicContact CD1-CD1 4.09Å; L235-Y260 HydrophobicContact CD1-CE1 3.83Å; L235-Y260 HydrophobicContact CD2-CD1 4.02Å; L235-Y260 HydrophobicContact CD2-CE1 4.47Å |
| 236 | N | 97.6 | Very high | 96.8 | Very high | 118 Ų | 118 | 83.4 Ų | 83.4 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 5.5 | -177.5 | -44.6 | -38 | 0 | 0 | 0 | 115.1 | T253 H254 | N236-T253 PolarHBondContact N-O 3.27Å; N236-H254 PolarHBondContact OD1-CD2 3.43Å |
| 237 | H | 98.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 81 Ų | 81 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | trans | -86.4 | 138 | 169.5 | -70.8 | -90.3 | 0 | 0 | 0 | 111.1 | L209 V233 M234 L235 Y239 | L209-H237 HydrophobicContact CD2-CB 4.44Å; V233-H237 PolarHBondContact O-CD2 2.8Å; V233-H237 PolarHBondContact O-NE2 3.02Å; M234-H237 PolarHBondContact O-N 2.91Å; L235-H237 PolarHBondContact O-CD2 2.99Å; L235-H237 PolarHBondContact O-N 2.95Å; L235-H237 VanDerWaalsContact O-N 3.13Å; H237-Y239 HydrophobicContact CB-CE2 4.2Å | ||
| 238 | L | 98.2 | Very high | 96.9 | Very high | 121 Ų | 121 | 80.9 Ų | 80.9 | 63% | 0.634 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.1 | 177.4 | -171.9 | 72.5 | 0 | 0 | 0 | 110.5 | L250 | L238-L250 HydrophobicContact CD1-CB 4.15Å; L238-L250 HydrophobicContact CD1-CD2 4.37Å; L238-L250 HydrophobicContact CD2-CD2 4.26Å; L238-L250 HydrophobicContact CG-CD2 4.49Å |
| 239 | Y | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 79.1 Ų | 79.1 | 13% | 0.129 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.8 | 168.1 | -63.3 | -89.1 | 0 | 0 | 0 | 109 | L209 V212 H237 S251 | L209-Y239 WeakPolarHBondContact O-CE1 3.26Å; L209-Y239 PolarHBondContact O-OH 2.84Å; V212-Y239 HydrophobicContact CB-CD1 4.38Å; V212-Y239 HydrophobicContact CB-CE1 4.38Å; V212-Y239 HydrophobicContact CG1-CD1 4Å; V212-Y239 HydrophobicContact CG1-CE1 4.39Å; V212-Y239 HydrophobicContact CG1-CG 4.39Å; V212-Y239 HydrophobicContact CG2-CD1 3.77Å; V212-Y239 HydrophobicContact CG2-CE1 3.75Å; H237-Y239 HydrophobicContact CB-CE2 4.2Å; Y239-S251 WeakPolarHBondContact CB-OG 3.37Å; Y239-S251 PolarHBondContact N-O 3.21Å; Y239-S251 PolarHBondContact O-N 3.46Å; Y239-S251 PolarHBondContact O-OG 3.28Å |
| 240 | A | 97.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 73.9 Ų | 73.9 | 57% | 0.57 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V249 L250 | A240-V249 WeakPolarHBondContact CA-O 3.48Å; A240-L250 HydrophobicContact CB-CD2 3.66Å |
| 241 | L | 96.8 | Very high | 97.2 | Very high | 110 Ų | 110 | 74 Ų | 74 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | P | Polyproline II helix | trans | -86.7 | 155 | 164.2 | -67.7 | 175.5 | 0 | 0 | 0 | 109.8 | I243 V249 | L241-I243 PolarHBondContact O-N 2.86Å; L241-V249 HydrophobicContact CB-CB 4.3Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG1 4.31Å; L241-V249 PolarHBondContact N-O 2.78Å; L241-V249 VanDerWaalsContact N-O 3.14Å |
| 242 | S | 96.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 71.8 Ų | 71.8 | 73% | 0.727 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -58 | 132.1 | 167.8 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | K244 | S242-K244 PolarHBondContact O-N 2.9Š|
| 243 | I | 96.6 | Very high | 97.3 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 48% | 0.477 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 131.7 | 179.3 | -63.7 | 158.6 | 0 | 0 | 0 | 109.4 | L241 M248 I269 | L241-I243 PolarHBondContact O-N 2.86Å; I243-M248 HydrophobicContact CD1-CE 4.27Å; I243-M248 HydrophobicContact CG1-CB 4.4Å; I243-M248 HydrophobicContact CG1-CG 4.41Å; I243-I269 HydrophobicContact CB-CD1 4.31Å; I243-I269 HydrophobicContact CD1-CD1 3.48Å; I243-I269 VanDerWaalsContact CD1-CD1 3.48Å; I243-I269 HydrophobicContact CG1-CD1 3.81Å; I243-I269 HydrophobicContact CG2-CD1 3.52Å |
| 244 | K | 95.6 | Very high | 97.4 | Very high | 152 Ų | 152 | 67 Ų | 67 | 66% | 0.661 | 37% | 0.372 | S | S | * | . | B | Isolated β-bridge | trans | -139 | 144.9 | 175.3 | -68.1 | -176.6 | -178.7 | -179.1 | 0 | 109.3 | S242 G246 V247 | S242-K244 PolarHBondContact O-N 2.9Å; K244-G246 PolarHBondContact O-N 3.5Å; K244-G246 VanDerWaalsContact O-N 3.14Å; K244-V247 PolarHBondContact N-O 2.83Å; K244-V247 PolarHBondContact O-N 2.9Å |
| 245 | D | 95.4 | Very high | 97.4 | Very high | 165 Ų | 165 | 72.5 Ų | 72.5 | 88% | 0.882 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.6 | 175.6 | -52 | -40.7 | 0 | 0 | 0 | 114.7 | V247 | D245-V247 PolarHBondContact O-N 3.08Š|
| 246 | G | 95.5 | Very high | 97.5 | Very high | 43 Ų | 43 | 79.1 Ų | 79.1 | 44% | 0.443 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 11.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K244 P268 I269 | K244-G246 PolarHBondContact O-N 3.5Å; K244-G246 VanDerWaalsContact O-N 3.14Å; G246-P268 WeakPolarHBondContact O-CA 3.48Å; G246-I269 PolarHBondContact O-N 3.3Å |
| 247 | V | 97.4 | Very high | 97.4 | Very high | 49 Ų | 49 | 81.4 Ų | 81.4 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.5 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | K244 D245 V249 Y266 | K244-V247 PolarHBondContact N-O 2.83Å; K244-V247 PolarHBondContact O-N 2.9Å; D245-V247 PolarHBondContact O-N 3.08Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å; V247-Y266 HydrophobicContact CG1-CD1 4.08Å |
| 248 | M | 97.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 87 Ų | 87 | 32% | 0.32 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 134.3 | 167.8 | -172.2 | -176.2 | -67.5 | 0 | 0 | 109.8 | I243 L250 Y266 K267 I269 | I243-M248 HydrophobicContact CD1-CE 4.27Å; I243-M248 HydrophobicContact CG1-CB 4.4Å; I243-M248 HydrophobicContact CG1-CG 4.41Å; M248-L250 HydrophobicContact CG-CD2 4.06Å; M248-L250 HydrophobicContact CG-CG 4.03Å; M248-L250 HydrophobicContact SD-CD1 3.87Å; M248-L250 HydrophobicContact SD-CD2 3.94Å; M248-L250 HydrophobicContact SD-CG 3.9Å; M248-Y266 WeakPolarHBondContact O-CA 3.37Å; M248-K267 PolarHBondContact N-O 3.24Å; M248-K267 PolarHBondContact O-N 3.44Å; M248-I269 HydrophobicContact CB-CD1 3.99Å; M248-I269 HydrophobicContact CB-CG1 4.03Å; M248-I269 HydrophobicContact CE-CD1 4.05Å; M248-I269 HydrophobicContact CE-CG1 4.46Å |
| 249 | V | 98.1 | Very high | 97.4 | Very high | 19 Ų | 19 | 88.8 Ų | 88.8 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.6 | 174.4 | -169.6 | 0 | 0 | 0 | 0 | 109.4 | A240 L241 V247 L265 Y266 | A240-V249 WeakPolarHBondContact CA-O 3.48Å; L241-V249 HydrophobicContact CB-CB 4.3Å; L241-V249 HydrophobicContact CD1-CB 4.32Å; L241-V249 HydrophobicContact CD1-CG1 4.31Å; L241-V249 PolarHBondContact N-O 2.78Å; L241-V249 VanDerWaalsContact N-O 3.14Å; V247-V249 HydrophobicContact CG1-CG2 4.42Å; V249-L265 WeakPolarHBondContact CA-O 3.27Å; V249-Y266 HydrophobicContact CB-CD1 4.41Å; V249-Y266 HydrophobicContact CB-CE1 4.26Å; V249-Y266 HydrophobicContact CG1-CD1 4.22Å; V249-Y266 HydrophobicContact CG1-CD2 4.39Å; V249-Y266 HydrophobicContact CG1-CE1 3.83Å; V249-Y266 HydrophobicContact CG1-CE2 4.02Å; V249-Y266 HydrophobicContact CG1-CG 4.47Å; V249-Y266 HydrophobicContact CG2-CD1 3.48Å; V249-Y266 VanDerWaalsContact CG2-CD1 3.48Å; V249-Y266 HydrophobicContact CG2-CE1 3.38Å; V249-Y266 HydrophobicContact CG2-CG 4.31Å |
| 250 | L | 98 | Very high | 97.4 | Very high | 45 Ų | 45 | 90.3 Ų | 90.3 | 24% | 0.236 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 148.2 | 178.7 | -62.2 | -178.7 | 0 | 0 | 0 | 110 | L238 A240 M248 L264 L265 | L238-L250 HydrophobicContact CD1-CB 4.15Å; L238-L250 HydrophobicContact CD1-CD2 4.37Å; L238-L250 HydrophobicContact CD2-CD2 4.26Å; L238-L250 HydrophobicContact CG-CD2 4.49Å; A240-L250 HydrophobicContact CB-CD2 3.66Å; M248-L250 HydrophobicContact CG-CD2 4.06Å; M248-L250 HydrophobicContact CG-CG 4.03Å; M248-L250 HydrophobicContact SD-CD1 3.87Å; M248-L250 HydrophobicContact SD-CD2 3.94Å; M248-L250 HydrophobicContact SD-CG 3.9Å; L250-L264 CarbonylContact O-C 3.58Å; L250-L264 WeakPolarHBondContact O-CA 3.23Å; L250-L265 PolarHBondContact N-O 3.35Å; L250-L265 PolarHBondContact O-N 3.08Å |
| 251 | S | 98.3 | Very high | 97.5 | Very high | 14 Ų | 14 | 90.7 Ų | 90.7 | 10% | 0.098 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 150.8 | 174.1 | 69.1 | 0 | 0 | 0 | 0 | 112.1 | Y239 T263 | Y239-S251 WeakPolarHBondContact CB-OG 3.37Å; Y239-S251 PolarHBondContact N-O 3.21Å; Y239-S251 PolarHBondContact O-N 3.46Å; Y239-S251 PolarHBondContact O-OG 3.28Å; S251-T263 WeakPolarHBondContact CA-O 3.41Å; S251-T263 WeakPolarHBondContact CB-O 3.31Å |
| 252 | A | 98.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 86.8 Ų | 86.8 | 12% | 0.124 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 145.9 | 172 | 0 | 0 | 0 | 0 | 0 | 109.6 | T262 T263 | A252-T262 WeakPolarHBondContact O-CA 3.35Å; A252-T263 PolarHBondContact N-O 2.92Å; A252-T263 PolarHBondContact O-N 3.32Å |
| 253 | T | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 85.7 Ų | 85.7 | 1% | 0.006 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.5 | 174.8 | -53.1 | 0 | 0 | 0 | 0 | 109.7 | P230 L235 N236 V261 T262 | P230-T253 HydrophobicContact CB-CG2 4.32Å; P230-T253 HydrophobicContact CG-CG2 4.08Å; L235-T253 WeakPolarHBondContact CA-O 3.49Å; L235-T253 HydrophobicContact CD2-CG2 3.52Å; N236-T253 PolarHBondContact N-O 3.27Å; T253-V261 WeakPolarHBondContact CA-O 3.44Å; T253-T262 WeakPolarHBondContact CG2-OG1 3.33Å; T253-T262 PolarHBondContact OG1-OG1 2.94Å |
| 254 | H | 98.4 | Very high | 97.7 | Very high | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.407 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.7 | 179.2 | -63.1 | 96.6 | 0 | 0 | 0 | 110.9 | N236 Y260 V261 | N236-H254 PolarHBondContact OD1-CD2 3.43Å; H254-Y260 WeakPolarHBondContact O-CA 3.42Å; H254-V261 PolarHBondContact N-O 3.02Å; H254-V261 PolarHBondContact O-N 3.1Å |
| 255 | R | 98.4 | Very high | 97.8 | Very high | 124 Ų | 124 | 82.4 Ų | 82.4 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 127 | 173.3 | -173.9 | -175.3 | -65.5 | -123.5 | -3.4 | 109.7 | L235 K257 K259 Y260 | L235-R255 HydrophobicContact CD1-CB 4.17Å; R255-K257 WeakPolarHBondContact CD-O 3.48Å; R255-K257 WeakPolarHBondContact CG-O 3.44Å; R255-K259 CarbonylContact C-O 3.42Å; R255-K259 WeakPolarHBondContact CA-O 3.42Å; R255-Y260 HydrophobicContact CB-CD1 4.2Å; R255-Y260 HydrophobicContact CB-CE1 4.32Å; R255-Y260 HydrophobicContact CG-CD1 4.23Å; R255-Y260 HydrophobicContact CG-CE1 4.04Å; R255-Y260 PolarHBondContact NH1-OH 2.81Å; R255-Y260 PolarHBondContact NH2-OH 2.89Å |
| 256 | Y | 97.9 | Very high | 97.9 | Very high | 153 Ų | 153 | 81.5 Ų | 81.5 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117 | 108.7 | 167.5 | -179.5 | -107.3 | 0 | 0 | 0 | 109.4 | K258 K259 | Y256-K258 PolarHBondContact O-N 2.92Å; Y256-K258 VanDerWaalsContact O-N 3.08Å; Y256-K259 PolarHBondContact N-O 2.86Å; Y256-K259 PolarHBondContact O-N 3.03Å |
| 257 | K | 97.1 | Very high | 98 | Very high | 166 Ų | 166 | 85.6 Ų | 85.6 | 72% | 0.722 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | -110.6 | -170.3 | -56.4 | -178.1 | 179 | -176.6 | 0 | 111 | R255 | R255-K257 WeakPolarHBondContact CD-O 3.48Å; R255-K257 WeakPolarHBondContact CG-O 3.44Å |
| 258 | K | 97.8 | Very high | 98 | Very high | 197 Ų | 197 | 88 Ų | 88 | 86% | 0.857 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | 10.9 | 178.4 | -61.5 | -172.4 | 177.7 | -176.3 | 0 | 113.1 | Y256 | Y256-K258 PolarHBondContact O-N 2.92Å; Y256-K258 VanDerWaalsContact O-N 3.08Å |
| 259 | K | 98 | Very high | 97.7 | Very high | 159 Ų | 159 | 92.1 Ų | 92.1 | 69% | 0.691 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 158.2 | 179.9 | -61.8 | -168.1 | 177 | -166.2 | 0 | 110.6 | R255 Y256 | R255-K259 CarbonylContact C-O 3.42Å; R255-K259 WeakPolarHBondContact CA-O 3.42Å; Y256-K259 PolarHBondContact N-O 2.86Å; Y256-K259 PolarHBondContact O-N 3.03Å |
| 260 | Y | 98.5 | Very high | 97.7 | Very high | 66 Ų | 66 | 95.8 Ų | 95.8 | 26% | 0.259 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 139.4 | 178.5 | -51.6 | -77.8 | 0 | 0 | 0 | 109.7 | E229 P230 L235 H254 R255 | E229-Y260 HydrophobicContact CG-CD2 4.49Å; E229-Y260 HydrophobicContact CG-CE2 3.92Å; P230-Y260 HydrophobicContact CG-CD1 3.69Å; P230-Y260 HydrophobicContact CG-CD2 3.93Å; P230-Y260 HydrophobicContact CG-CE1 4.18Å; P230-Y260 HydrophobicContact CG-CE2 4.39Å; P230-Y260 HydrophobicContact CG-CG 3.54Å; L235-Y260 HydrophobicContact CD1-CD1 4.09Å; L235-Y260 HydrophobicContact CD1-CE1 3.83Å; L235-Y260 HydrophobicContact CD2-CD1 4.02Å; L235-Y260 HydrophobicContact CD2-CE1 4.47Å; H254-Y260 WeakPolarHBondContact O-CA 3.42Å; R255-Y260 HydrophobicContact CB-CD1 4.2Å; R255-Y260 HydrophobicContact CB-CE1 4.32Å; R255-Y260 HydrophobicContact CG-CD1 4.23Å; R255-Y260 HydrophobicContact CG-CE1 4.04Å; R255-Y260 PolarHBondContact NH1-OH 2.81Å; R255-Y260 PolarHBondContact NH2-OH 2.89Å |
| 261 | V | 98.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 46% | 0.461 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.5 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 108 | T253 H254 | T253-V261 WeakPolarHBondContact CA-O 3.44Å; H254-V261 PolarHBondContact N-O 3.02Å; H254-V261 PolarHBondContact O-N 3.1Å |
| 262 | T | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 103.1 Ų | 103.1 | 17% | 0.172 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.3 | 170.5 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | L214 L227 A252 T253 L264 | L214-T262 HydrophobicContact CD1-CG2 3.99Å; L214-T262 HydrophobicContact CD2-CG2 3.95Å; L214-T262 HydrophobicContact CG-CG2 4.06Å; L227-T262 HydrophobicContact CD1-CG2 4.35Å; L227-T262 WeakPolarHBondContact CD1-OG1 3.37Å; A252-T262 WeakPolarHBondContact O-CA 3.35Å; T253-T262 WeakPolarHBondContact CG2-OG1 3.33Å; T253-T262 PolarHBondContact OG1-OG1 2.94Å; T262-L264 HydrophobicContact CG2-CD1 4.24Å |
| 263 | T | 98.2 | Very high | 97.6 | Very high | 81 Ų | 81 | 108.3 Ų | 108.3 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.4 | 179.7 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | S251 A252 | S251-T263 WeakPolarHBondContact CA-O 3.41Å; S251-T263 WeakPolarHBondContact CB-O 3.31Å; A252-T263 PolarHBondContact N-O 2.92Å; A252-T263 PolarHBondContact O-N 3.32Å |
| 264 | L | 98.4 | Very high | 97.5 | Very high | 79 Ų | 79 | 115 Ų | 115 | 41% | 0.414 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134 | 171.7 | -73.3 | 73.7 | 0 | 0 | 0 | 108.8 | L214 L250 T262 Y266 | L214-L264 HydrophobicContact CD1-CD1 3.98Å; L214-L264 HydrophobicContact CD1-CD2 4.39Å; L214-L264 HydrophobicContact CD1-CG 4.26Å; L214-L264 HydrophobicContact CD2-CD1 4.36Å; L250-L264 CarbonylContact O-C 3.58Å; L250-L264 WeakPolarHBondContact O-CA 3.23Å; T262-L264 HydrophobicContact CG2-CD1 4.24Å; L264-Y266 HydrophobicContact CB-CE2 4.17Å; L264-Y266 HydrophobicContact CD2-CE2 4.37Å |
| 265 | L | 97.9 | Very high | 97.5 | Very high | 98 Ų | 98 | 116.8 Ų | 116.8 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.6 | 174.9 | 176.1 | 65.7 | 0 | 0 | 0 | 109.1 | V249 L250 | V249-L265 WeakPolarHBondContact CA-O 3.27Å; L250-L265 PolarHBondContact N-O 3.35Å; L250-L265 PolarHBondContact O-N 3.08Å |
| 266 | Y | 97.9 | Very high | 97.4 | Very high | 146 Ų | 146 | 116.3 Ų | 116.3 | 57% | 0.573 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.7 | 170.2 | -69.7 | -103.5 | 0 | 0 | 0 | 108.2 | V247 M248 V249 L264 | V247-Y266 HydrophobicContact CG1-CD1 4.08Å; M248-Y266 WeakPolarHBondContact O-CA 3.37Å; V249-Y266 HydrophobicContact CB-CD1 4.41Å; V249-Y266 HydrophobicContact CB-CE1 4.26Å; V249-Y266 HydrophobicContact CG1-CD1 4.22Å; V249-Y266 HydrophobicContact CG1-CD2 4.39Å; V249-Y266 HydrophobicContact CG1-CE1 3.83Å; V249-Y266 HydrophobicContact CG1-CE2 4.02Å; V249-Y266 HydrophobicContact CG1-CG 4.47Å; V249-Y266 HydrophobicContact CG2-CD1 3.48Å; V249-Y266 VanDerWaalsContact CG2-CD1 3.48Å; V249-Y266 HydrophobicContact CG2-CE1 3.38Å; V249-Y266 HydrophobicContact CG2-CG 4.31Å; L264-Y266 HydrophobicContact CB-CE2 4.17Å; L264-Y266 HydrophobicContact CD2-CE2 4.37Å |
| 267 | K | 97.5 | Very high | 97.4 | Very high | 129 Ų | 129 | 113.5 Ų | 113.5 | 56% | 0.561 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 123.6 | -177.7 | -173 | -178.9 | 174.4 | -178.7 | 0 | 110.5 | M248 | M248-K267 PolarHBondContact N-O 3.24Å; M248-K267 PolarHBondContact O-N 3.44Å |
| 268 | P | 96.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 109.1 Ų | 109.1 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 148.9 | 170.7 | -21.4 | 33.1 | 0 | 0 | 0 | 111.9 | G246 | G246-P268 WeakPolarHBondContact O-CA 3.48Å |
| 269 | I | 91.3 | Very high | 97.4 | Very high | 151 Ų | 151 | 101.1 Ų | 101.1 | 77% | 0.774 | 51% | 0.505 | S | S | * | . | trans | -104.4 | 0 | 176.5 | -51.9 | -177.8 | 0 | 0 | 0 | 110.1 | I243 G246 M248 | I243-I269 HydrophobicContact CB-CD1 4.31Å; I243-I269 HydrophobicContact CD1-CD1 3.48Å; I243-I269 VanDerWaalsContact CD1-CD1 3.48Å; I243-I269 HydrophobicContact CG1-CD1 3.81Å; I243-I269 HydrophobicContact CG2-CD1 3.52Å; G246-I269 PolarHBondContact O-N 3.3Å; M248-I269 HydrophobicContact CB-CD1 3.99Å; M248-I269 HydrophobicContact CB-CG1 4.03Å; M248-I269 HydrophobicContact CE-CD1 4.05Å; M248-I269 HydrophobicContact CE-CG1 4.46Å |
Retrieved 269 of 269 residues in 128.7 ms
(Link to these results)