| 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 | 42 | Very low | 37.4 | Very low | 235 Ų | 235 | 145.2 Ų | 145.2 | 100% | 1.158 | 82% | 0.819 | S | S | * | * | 0 | 121.4 | 0 | -65.8 | 170.8 | 176.8 | 0 | 0 | 108.2 | |||||
| 2 | L | 36.8 | Very low | 36.9 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -148.4 | 97.8 | 158.8 | -73.2 | -179.2 | 0 | 0 | 0 | 105 | ||||
| 3 | L | 38.9 | Very low | 36.6 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | 80.1 | 76.7 | 84 | -73.6 | 177.2 | 0 | 0 | 0 | 114.2 | |||||
| 4 | S | 36.2 | Very low | 36.4 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | 36.5 | 120 | 128.2 | 56.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 5 | V | 36.4 | Very low | 36.2 | Very low | 132 Ų | 132 | 142 Ų | 142 | 80% | 0.8 | 82% | 0.823 | S | S | * | * | 25 | 127.8 | 125.3 | -127.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 6 | T | 36.1 | Very low | 36.1 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | -168.1 | 178.7 | 73.7 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 7 | S | 34 | Very low | 36 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 68% | 0.678 | 81% | 0.813 | S | S | * | * | trans | -123 | 165.7 | -163.3 | -162.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 8 | R | 36.4 | Very low | 35.8 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 85% | 0.849 | 82% | 0.816 | S | S | * | * | trans | 74.3 | 161.6 | 163.8 | -65.1 | 176.4 | 173.7 | -103.5 | -0 | 117.7 | ||||
| 9 | P | 47.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | -142.6 | 155.5 | -43.5 | 38.6 | -23 | 0 | 0 | 0 | 115.9 | ||||
| 10 | G | 30.6 | Very low | 35.9 | Very low | 72 Ų | 72 | 148.6 Ų | 148.6 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 92.1 | 138.4 | 138 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 11 | I | 36.7 | Very low | 35.8 | Very low | 178 Ų | 178 | 151.4 Ų | 151.4 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | -170.4 | 153.2 | 126.8 | -96.2 | 160.1 | 0 | 0 | 0 | 107.1 | |||||
| 12 | S | 31.4 | Very low | 35.5 | Very low | 109 Ų | 109 | 149.1 Ų | 149.1 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -130.9 | 140.7 | -168.5 | 52.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 13 | T | 32.7 | Very low | 36.1 | Very low | 136 Ų | 136 | 146.5 Ų | 146.5 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | trans | -141.9 | 109.7 | 167 | 41.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 14 | F | 33.7 | Very low | 35.5 | Very low | 209 Ų | 209 | 150 Ų | 150 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | -131.4 | 142.6 | 161 | -93.9 | -80.9 | 0 | 0 | 0 | 108.2 | ||||
| 15 | G | 34.2 | Very low | 35.5 | Very low | 79 Ų | 79 | 151.6 Ų | 151.6 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -76.4 | 144.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 16 | Y | 34 | Very low | 35.2 | Very low | 216 Ų | 216 | 150.6 Ų | 150.6 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -82.3 | 125.8 | 170.2 | -86.6 | -106.9 | 0 | 0 | 0 | 109.5 | ||||
| 17 | N | 33.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 63% | 0.631 | 80% | 0.799 | S | S | * | * | 77.5 | 121.5 | 75.5 | -178.9 | -0.6 | 0 | 0 | 0 | 113.6 | N19 | N17-N19 PolarHBondContact OD1-N 3.24Š| |||
| 18 | R | 33.2 | Very low | 35.1 | Very low | 231 Ų | 231 | 151.4 Ų | 151.4 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -148.7 | 92.5 | 153.9 | -140.8 | -175.6 | -153.1 | 177.2 | 7.8 | 113.2 | ||||
| 19 | N | 34.3 | Very low | 35.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | -177.7 | 143.4 | 114 | -89.1 | -22.9 | 0 | 0 | 0 | 111.6 | N17 | N17-N19 PolarHBondContact OD1-N 3.24Š| |||
| 20 | N | 38.5 | Very low | 35 | Very low | 131 Ų | 131 | 152.5 Ų | 152.5 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -149.6 | 118.8 | -166.8 | 172.2 | 33.2 | 0 | 0 | 0 | 111.7 | ||||
| 21 | K | 34.9 | Very low | 35.2 | Very low | 208 Ų | 208 | 157.7 Ų | 157.7 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -146.1 | 132.7 | 152.3 | -69.5 | -164.2 | 178.9 | -177.8 | 0 | 110.2 | ||||
| 22 | K | 34.6 | Very low | 35.7 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | trans | -128.4 | -173.4 | 163.6 | -54.1 | -177 | 177 | -178.5 | 0 | 106.5 | ||||
| 23 | P | 49.7 | Very low | 36.6 | Very low | 111 Ų | 111 | 154 Ų | 154 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | cis | -127.4 | 171 | -19.5 | 35 | -18.8 | 0 | 0 | 0 | 113.4 | ||||
| 24 | Y | 28 | Very low | 37.1 | Very low | 222 Ų | 222 | 153.8 Ų | 153.8 | 87% | 0.871 | 81% | 0.807 | S | S | * | * | trans | -151.9 | 163.6 | 138 | -151.3 | -101.4 | 0 | 0 | 0 | 110.5 | ||||
| 25 | V | 36.1 | Very low | 37.3 | Very low | 124 Ų | 124 | 148.9 Ų | 148.9 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -131.8 | 130.1 | -177.4 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 26 | S | 28.9 | Very low | 37.8 | Very low | 111 Ų | 111 | 151.4 Ų | 151.4 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -154.1 | 130.7 | 158 | -160.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 27 | L | 34.1 | Very low | 37.9 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -11 | 134 | 155.8 | -161.3 | 70.3 | 0 | 0 | 0 | 119.1 | ||||
| 28 | A | 34.9 | Very low | 38.3 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -150.4 | 159.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | Q | 37.3 | Very low | 38.4 | Very low | 175 Ų | 175 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -69.2 | 150.4 | -161.2 | -89.7 | 79.8 | -22.1 | 0 | 0 | 118.1 | ||||
| 30 | Q | 42.7 | Very low | 38.7 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | trans | -56.3 | 135.6 | 161.3 | 176.6 | -176.3 | 38.7 | 0 | 0 | 113.6 | ||||
| 31 | M | 36.6 | Very low | 39 | Very low | 182 Ų | 182 | 141 Ų | 141 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | trans | -141.9 | 159.7 | 164.7 | -74.3 | -162.9 | 174.2 | 0 | 0 | 111.8 | ||||
| 32 | A | 46.2 | Very low | 39.2 | Very low | 91 Ų | 91 | 138 Ų | 138 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 159.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 33 | P | 49.8 | Very low | 39.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 150.8 | 176.8 | 29.6 | -36.2 | 0 | 0 | 0 | 113.1 | ||
| 34 | P | 44.8 | Very low | 39.2 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77 | 143.7 | -179.3 | 31.5 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 35 | S | 37.1 | Very low | 39.8 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 154.6 | 171 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | S37 | S35-S37 PolarHBondContact O-N 3.09Š|
| 36 | P | 45.4 | Very low | 40.1 | Very low | 133 Ų | 133 | 126.2 Ų | 126.2 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 122.9 | -176.7 | 28.8 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 37 | S | 35.9 | Very low | 41 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 121.4 | 174 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | S35 S39 | S35-S37 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact O-N 2.94Å |
| 38 | N | 40.3 | Very low | 41.4 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 95.3 | 176.8 | -171.7 | 19.8 | 0 | 0 | 0 | 111.1 | T40 | N38-T40 PolarHBondContact O-N 2.64Š| ||
| 39 | S | 35.4 | Very low | 42.3 | Very low | 104 Ų | 104 | 123.3 Ų | 123.3 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -80.9 | 103.8 | -173.4 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | S37 P41 | S37-S39 PolarHBondContact O-N 2.94Å; S39-P41 WeakPolarHBondContact O-CD 3.38Å | ||
| 40 | T | 41.5 | Very low | 43.1 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | -67.4 | 120.5 | 171.2 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | N38 N42 | N38-T40 PolarHBondContact O-N 2.64Å; T40-N42 PolarHBondContact O-N 3.19Å | ||
| 41 | P | 44.8 | Very low | 43.9 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | trans | -76.6 | 97.3 | 176.2 | 30.4 | -33 | 0 | 0 | 0 | 110.6 | S39 S43 | S39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-S43 PolarHBondContact O-N 3.33Å; P41-S43 VanDerWaalsContact O-N 3.07Å | ||
| 42 | N | 40.2 | Very low | 45.1 | Very low | 146 Ų | 146 | 111.4 Ų | 111.4 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | trans | -69 | 100.3 | 169.1 | -178.6 | 35 | 0 | 0 | 0 | 109.4 | T40 S44 | T40-N42 PolarHBondContact O-N 3.19Å; N42-S44 VanDerWaalsContact C-N 3.32Å; N42-S44 PolarHBondContact O-N 3.25Å | ||
| 43 | S | 37.6 | Very low | 46.1 | Very low | 107 Ų | 107 | 108.6 Ų | 108.6 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | -81.6 | 67.2 | -167.5 | 46.8 | 0 | 0 | 0 | 0 | 113.8 | P41 S45 | P41-S43 PolarHBondContact O-N 3.33Å; P41-S43 VanDerWaalsContact O-N 3.07Å; S43-S45 PolarHBondContact O-N 3.02Å | ||
| 44 | S | 45.2 | Very low | 47.1 | Very low | 108 Ų | 108 | 105 Ų | 105 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -69.2 | 74 | 165.7 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | N42 G46 | N42-S44 VanDerWaalsContact C-N 3.32Å; N42-S44 PolarHBondContact O-N 3.25Å; S44-G46 PolarHBondContact O-N 2.83Å | ||
| 45 | S | 40.9 | Very low | 49 | Very low | 118 Ų | 118 | 104.3 Ų | 104.3 | 83% | 0.825 | 66% | 0.658 | S | S | * | * | trans | -73.2 | 94.3 | -173.2 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | S43 | S43-S45 PolarHBondContact O-N 3.02Š| ||
| 46 | G | 42.2 | Very low | 51.5 | Low | 63 Ų | 63 | 99.5 Ų | 99.5 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | trans | -93 | 119.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | S44 | S44-G46 PolarHBondContact O-N 2.83Š| ||
| 47 | S | 47.9 | Very low | 53.8 | Low | 116 Ų | 116 | 94.7 Ų | 94.7 | 81% | 0.811 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 45.6 | 73.5 | 152.5 | -59.8 | 0 | 0 | 0 | 0 | 118.9 | ||
| 48 | N | 42.7 | Very low | 56.5 | Low | 136 Ų | 136 | 89.1 Ų | 89.1 | 73% | 0.727 | 55% | 0.553 | S | S | * | * | trans | -134.4 | 61.1 | 144 | -96.1 | -36.9 | 0 | 0 | 0 | 109.6 | N50 | N48-N50 PolarHBondContact O-N 2.84Å; N48-N50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | G | 54.3 | Low | 59.1 | Low | 50 Ų | 50 | 83.7 Ų | 83.7 | 52% | 0.515 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 5.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L53 | G49-L53 VanDerWaalsContact O-CD1 3.27Å; G49-L53 WeakPolarHBondContact O-CD1 3.12Å; G49-L53 WeakPolarHBondContact O-CG 3.03Å |
| 50 | N | 54.3 | Low | 61.8 | Low | 96 Ų | 96 | 78.7 Ų | 78.7 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -69.5 | 176.9 | -131.2 | 20.3 | 0 | 0 | 0 | 110 | N48 Q52 L53 Q129 | N48-N50 PolarHBondContact O-N 2.84Å; N48-N50 VanDerWaalsContact O-N 3.13Å; N50-Q52 PolarHBondContact O-N 3.21Å; N50-L53 WeakPolarHBondContact O-CB 3.4Å; N50-L53 PolarHBondContact O-N 3.25Å; N50-Q129 VanDerWaalsContact C-NE2 3.26Å; N50-Q129 PolarHBondContact O-NE2 3.48Å; N50-Q129 PolarHBondContact O-OE1 2.93Å; N50-Q129 VanDerWaalsContact O-OE1 3.13Å; N50-Q129 PolarHBondContact OD1-NE2 3.36Å |
| 51 | D | 59.1 | Low | 64.3 | Low | 100 Ų | 100 | 79.7 Ų | 79.7 | 54% | 0.535 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -18.1 | -173 | -58.4 | -101.5 | 0 | 0 | 0 | 115.6 | S54 K55 | D51-S54 PolarHBondContact O-OG 3.44Å; D51-K55 WeakPolarHBondContact O-CD 3.45Å; D51-K55 PolarHBondContact O-NZ 3.3Å |
| 52 | Q | 61.5 | Low | 66.4 | Low | 98 Ų | 98 | 76.9 Ų | 76.9 | 46% | 0.458 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -37.7 | 172.9 | -164.4 | 66.5 | 51.4 | 0 | 0 | 111.1 | N50 K55 T56 | N50-Q52 PolarHBondContact O-N 3.21Å; Q52-K55 CarbonylContact O-C 3.53Å; Q52-K55 WeakPolarHBondContact O-CA 3.29Å; Q52-K55 WeakPolarHBondContact O-CB 3.49Å; Q52-K55 PolarHBondContact O-N 3.27Å; Q52-T56 HydrophobicContact CG-CG2 4.17Å; Q52-T56 PolarHBondContact O-N 3.12Å; Q52-T56 PolarHBondContact O-OG1 3.33Å; Q52-T56 VanDerWaalsContact O-OG1 3.11Å |
| 53 | L | 67.6 | Low | 68.8 | Low | 33 Ų | 33 | 70.9 Ų | 70.9 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66 | -42.7 | -171.2 | -70.2 | 173.1 | 0 | 0 | 0 | 113 | G49 N50 K55 T56 N57 D103 | G49-L53 VanDerWaalsContact O-CD1 3.27Å; G49-L53 WeakPolarHBondContact O-CD1 3.12Å; G49-L53 WeakPolarHBondContact O-CG 3.03Å; N50-L53 WeakPolarHBondContact O-CB 3.4Å; N50-L53 PolarHBondContact O-N 3.25Å; L53-K55 PolarHBondContact O-N 2.86Å; L53-T56 PolarHBondContact O-N 3.32Å; L53-N57 WeakPolarHBondContact O-CA 3.35Å; L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.95Å; L53-D103 WeakPolarHBondContact CD2-OD2 3.26Å |
| 54 | S | 71.2 | Confident | 71.2 | Confident | 43 Ų | 43 | 72.4 Ų | 72.4 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.4 | -17.5 | 174.5 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | D51 Q129 | D51-S54 PolarHBondContact O-OG 3.44Å; S54-Q129 PolarHBondContact OG-OE1 3.35Å |
| 55 | K | 83.5 | Confident | 73.2 | Confident | 115 Ų | 115 | 70.8 Ų | 70.8 | 50% | 0.5 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -104 | -18.2 | -178.2 | -60.6 | 165.1 | -169.8 | 155.4 | 0 | 113.2 | D51 Q52 L53 P107 M126 | D51-K55 WeakPolarHBondContact O-CD 3.45Å; D51-K55 PolarHBondContact O-NZ 3.3Å; Q52-K55 CarbonylContact O-C 3.53Å; Q52-K55 WeakPolarHBondContact O-CA 3.29Å; Q52-K55 WeakPolarHBondContact O-CB 3.49Å; Q52-K55 PolarHBondContact O-N 3.27Å; L53-K55 PolarHBondContact O-N 2.86Å; K55-P107 HydrophobicContact CB-CB 4.26Å; K55-P107 VanDerWaalsContact O-CA 3.32Å; K55-P107 WeakPolarHBondContact O-CA 3.39Å; K55-P107 VanDerWaalsContact O-CB 3.24Å; K55-P107 WeakPolarHBondContact O-CB 3.3Å; K55-M126 VanDerWaalsContact C-CE 3.41Å; K55-M126 VanDerWaalsContact O-CE 3.22Å; K55-M126 WeakPolarHBondContact O-CE 3.48Å |
| 56 | T | 90.8 | Very high | 75.4 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -115.6 | -22.6 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | Q52 L53 D103 F104 P107 A110 | Q52-T56 HydrophobicContact CG-CG2 4.17Å; Q52-T56 PolarHBondContact O-N 3.12Å; Q52-T56 PolarHBondContact O-OG1 3.33Å; Q52-T56 VanDerWaalsContact O-OG1 3.11Å; L53-T56 PolarHBondContact O-N 3.32Å; T56-D103 WeakPolarHBondContact CB-OD1 3.39Å; T56-D103 PolarHBondContact OG1-OD1 3.04Å; T56-F104 VanDerWaalsContact CB-O 3.27Å; T56-F104 WeakPolarHBondContact CB-O 3.39Å; T56-F104 PolarHBondContact O-N 3.01Å; T56-P107 HydrophobicContact CG2-CB 4.46Å; T56-A110 WeakPolarHBondContact O-CB 3.41Å |
| 57 | N | 92.8 | Very high | 77.6 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 17% | 0.171 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 140.7 | -175.7 | -166.4 | -5.2 | 0 | 0 | 0 | 111.1 | L53 V102 D103 M126 A127 | L53-N57 WeakPolarHBondContact O-CA 3.35Å; L53-N57 WeakPolarHBondContact O-CB 3.45Å; L53-N57 PolarHBondContact O-N 2.95Å; N57-V102 CarbonylContact C-O 3.49Å; N57-V102 WeakPolarHBondContact CA-O 3.48Å; N57-V102 PolarHBondContact OD1-O 2.74Å; N57-D103 HydrophobicContact CB-CB 4.47Å; N57-M126 WeakPolarHBondContact O-CE 3.5Å; N57-A127 HydrophobicContact CB-CB 4.02Å; N57-A127 WeakPolarHBondContact O-CB 3Å; N57-A127 PolarHBondContact O-N 3.36Å |
| 58 | L | 93.4 | Very high | 79.7 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 140.1 | -177.2 | -59.5 | 176.7 | 0 | 0 | 0 | 110.2 | I60 F101 V102 F104 A110 A113 V114 Q125 M126 | L58-I60 HydrophobicContact CB-CG1 4.42Å; L58-F101 WeakPolarHBondContact O-CA 3.44Å; L58-V102 HydrophobicContact CB-CB 4.42Å; L58-V102 WeakPolarHBondContact CB-O 3.46Å; L58-V102 PolarHBondContact N-O 2.79Å; L58-V102 PolarHBondContact O-N 3.03Å; L58-V102 VanDerWaalsContact O-N 3.09Å; L58-F104 HydrophobicContact CD1-CD2 3.76Å; L58-F104 HydrophobicContact CD1-CE2 3.47Å; L58-F104 VanDerWaalsContact CD1-CE2 3.47Å; L58-F104 HydrophobicContact CG-CD2 4.36Å; L58-F104 HydrophobicContact CG-CE2 4.5Å; L58-A110 HydrophobicContact CD2-CB 4.05Å; L58-A110 HydrophobicContact CG-CB 4.38Å; L58-A113 HydrophobicContact CD1-CB 3.7Å; L58-V114 HydrophobicContact CD2-CG2 3.4Å; L58-Q125 CarbonylContact C-O 3.55Å; L58-Q125 WeakPolarHBondContact CA-O 3.5Å; L58-M126 HydrophobicContact CD2-CE 4.18Å; L58-M126 HydrophobicContact CD2-SD 3.62Å |
| 59 | Y | 93.4 | Very high | 82.1 | Confident | 45 Ų | 45 | 61 Ų | 61 | 18% | 0.176 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.2 | 165.4 | 173.7 | -97.5 | 0 | 0 | 0 | 108.4 | R61 Y99 F101 A124 Q125 | Y59-R61 HydrophobicContact CE1-CB 3.84Å; Y59-Y99 HydrophobicContact CD2-CD2 4.47Å; Y59-Y99 AromaticContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CE2 4.36Å; Y59-Y99 HydrophobicContact CE2-CG 4Å; Y59-F101 HydrophobicContact CD2-CD1 4.41Å; Y59-F101 AromaticContact CD2-CE1 3.76Å; Y59-F101 HydrophobicContact CD2-CE1 3.76Å; Y59-F101 AromaticContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CE2-CZ 4.37Å; Y59-A124 WeakPolarHBondContact O-CA 3.37Å; Y59-Q125 HydrophobicContact CD1-CG 3.97Å; Y59-Q125 PolarHBondContact N-O 3.04Å; Y59-Q125 PolarHBondContact O-N 3.26Å |
| 60 | I | 93.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 127 | -179.6 | -51.4 | 179.2 | 0 | 0 | 0 | 108.6 | L58 L63 L72 Y99 G100 V102 L117 V122 A124 | L58-I60 HydrophobicContact CB-CG1 4.42Å; I60-L63 HydrophobicContact CB-CD2 4.49Å; I60-L63 HydrophobicContact CG2-CD2 3.73Å; I60-L72 HydrophobicContact CD1-CD2 4.23Å; I60-Y99 CarbonylContact O-C 3.53Å; I60-Y99 WeakPolarHBondContact O-CA 3.34Å; I60-Y99 WeakPolarHBondContact O-CB 3.49Å; I60-G100 PolarHBondContact N-O 2.98Å; I60-G100 PolarHBondContact O-N 3.27Å; I60-V102 HydrophobicContact CD1-CB 4.45Å; I60-V102 HydrophobicContact CD1-CG2 3.79Å; I60-L117 HydrophobicContact CD1-CD1 3.93Å; I60-V122 HydrophobicContact CG2-CG1 3.49Å; I60-V122 VanDerWaalsContact CG2-CG1 3.49Å; I60-A124 HydrophobicContact CG1-CB 4.22Å |
| 61 | R | 93.1 | Very high | 85.7 | Confident | 143 Ų | 143 | 62.2 Ų | 62.2 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 160.8 | 179.2 | -173.7 | 173.5 | -178 | 155.4 | -0.6 | 110.7 | Y59 G98 Q123 | Y59-R61 HydrophobicContact CE1-CB 3.84Å; R61-G98 CarbonylContact C-O 3.5Å; R61-G98 WeakPolarHBondContact CA-O 3.21Å; R61-Q123 HydrophobicContact CB-CB 4.05Å; R61-Q123 PolarHBondContact N-O 2.89Å; R61-Q123 WeakPolarHBondContact O-CB 3.19Å; R61-Q123 PolarHBondContact O-N 3.36Å |
| 62 | G | 88.7 | Confident | 87.3 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 63% | 0.629 | 32% | 0.316 | S | S | * | . | S | Bend | trans | 83.8 | 20.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G98 | G62-G98 PolarHBondContact N-O 2.79Š|
| 63 | L | 90.5 | Very high | 88.8 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 11% | 0.105 | 31% | 0.309 | C | S | . | . | trans | -69.2 | 153.2 | 174.8 | -54.3 | -178.7 | 0 | 0 | 0 | 110.7 | I60 T67 L72 G98 Y99 | I60-L63 HydrophobicContact CB-CD2 4.49Å; I60-L63 HydrophobicContact CG2-CD2 3.73Å; L63-T67 HydrophobicContact CB-CG2 4.16Å; L63-T67 HydrophobicContact CD1-CG2 4.13Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-T67 HydrophobicContact CG-CG2 4.44Å; L63-L72 HydrophobicContact CD1-CD1 4.41Å; L63-L72 HydrophobicContact CD1-CD2 3.84Å; L63-L72 HydrophobicContact CD1-CG 4.47Å; L63-L72 HydrophobicContact CD2-CD2 3.94Å; L63-G98 PolarHBondContact N-O 3.18Å; L63-G98 VanDerWaalsContact N-O 3.09Å; L63-G98 WeakPolarHBondContact O-CA 3.4Å; L63-Y99 VanDerWaalsContact CD1-C 3.46Å | ||
| 64 | Q | 88.6 | Confident | 90 | Very high | 138 Ų | 138 | 59.3 Ų | 59.3 | 65% | 0.645 | 33% | 0.326 | S | S | * | . | trans | -73.3 | 152.4 | 175.5 | -70.6 | -67.6 | -12.4 | 0 | 0 | 110.7 | G66 T67 C96 | Q64-G66 PolarHBondContact O-N 3.02Å; Q64-T67 PolarHBondContact N-OG1 3.01Å; Q64-T67 VanDerWaalsContact N-OG1 3.09Å; Q64-T67 WeakPolarHBondContact O-CB 3.31Å; Q64-T67 PolarHBondContact O-N 2.86Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; Q64-C96 WeakPolarHBondContact O-CB 3.35Å | ||
| 65 | P | 86.5 | Confident | 91 | Very high | 75 Ų | 75 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -20.3 | 178.3 | -26.2 | 35.6 | 0 | 0 | 0 | 114.6 | C96 | P65-C96 PolarHBondContact O-N 2.94Š|
| 66 | G | 86.7 | Confident | 91.4 | Very high | 62 Ų | 62 | 54.5 Ų | 54.5 | 64% | 0.639 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q64 T68 | Q64-G66 PolarHBondContact O-N 3.02Å; G66-T68 PolarHBondContact O-N 3.05Å |
| 67 | T | 89.4 | Confident | 91.4 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | trans | -66.1 | 123.2 | -177.7 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | L63 Q64 D71 L72 | L63-T67 HydrophobicContact CB-CG2 4.16Å; L63-T67 HydrophobicContact CD1-CG2 4.13Å; L63-T67 HydrophobicContact CD2-CG2 4.32Å; L63-T67 HydrophobicContact CG-CG2 4.44Å; Q64-T67 PolarHBondContact N-OG1 3.01Å; Q64-T67 VanDerWaalsContact N-OG1 3.09Å; Q64-T67 WeakPolarHBondContact O-CB 3.31Å; Q64-T67 PolarHBondContact O-N 2.86Å; Q64-T67 PolarHBondContact O-OG1 3.29Å; T67-D71 HydrophobicContact CG2-CB 4.08Å; T67-L72 HydrophobicContact CG2-CG 4.33Å | ||
| 68 | T | 92.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 62.9 Ų | 62.9 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | trans | -101.5 | 172.9 | 178.3 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | G66 Q70 D71 L72 | G66-T68 PolarHBondContact O-N 3.05Å; T68-Q70 PolarHBondContact O-N 3.02Å; T68-Q70 PolarHBondContact OG1-N 3.41Å; T68-D71 WeakPolarHBondContact CB-OD2 3.38Å; T68-D71 PolarHBondContact N-OD2 3.31Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 VanDerWaalsContact O-N 3.08Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; T68-L72 PolarHBondContact O-N 3.26Å | ||
| 69 | D | 91.9 | Very high | 91.4 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -54.2 | -39.5 | 171.1 | -59.7 | -37.8 | 0 | 0 | 0 | 112.3 | D71 L72 V73 T85 K86 A87 | D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.73Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.9Å; D69-V73 WeakPolarHBondContact O-CG2 3.3Å; D69-V73 PolarHBondContact O-N 3.45Å; D69-T85 PolarHBondContact O-OG1 3.4Å; D69-K86 VanDerWaalsContact OD1-CA 3.26Å; D69-K86 WeakPolarHBondContact OD1-CA 3.38Å; D69-A87 PolarHBondContact OD1-N 2.82Å |
| 70 | Q | 93 | Very high | 91.3 | Very high | 119 Ų | 119 | 64.3 Ų | 64.3 | 56% | 0.556 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.6 | -30.9 | 178.2 | -66.2 | -165.8 | 8.8 | 0 | 0 | 112.7 | T68 V73 K74 | T68-Q70 PolarHBondContact O-N 3.02Å; T68-Q70 PolarHBondContact OG1-N 3.41Å; Q70-V73 WeakPolarHBondContact O-CB 3.22Å; Q70-V73 PolarHBondContact O-N 3.48Å; Q70-K74 VanDerWaalsContact O-CG 3.27Å; Q70-K74 WeakPolarHBondContact O-CG 3.38Å; Q70-K74 PolarHBondContact O-N 2.97Å |
| 71 | D | 92.5 | Very high | 91.3 | Very high | 52 Ų | 52 | 70.7 Ų | 70.7 | 28% | 0.278 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -78 | -32.6 | -179.7 | -51.8 | -51 | 0 | 0 | 0 | 110.9 | T67 T68 D69 V73 K74 L75 | T67-D71 HydrophobicContact CG2-CB 4.08Å; T68-D71 WeakPolarHBondContact CB-OD2 3.38Å; T68-D71 PolarHBondContact N-OD2 3.31Å; T68-D71 PolarHBondContact O-N 2.91Å; T68-D71 VanDerWaalsContact O-N 3.08Å; T68-D71 PolarHBondContact OG1-OD2 2.79Å; D69-D71 VanDerWaalsContact C-N 3.27Å; D69-D71 PolarHBondContact O-N 2.73Å; D71-V73 VanDerWaalsContact C-N 3.35Å; D71-K74 PolarHBondContact O-N 2.64Å; D71-K74 IonicContact OD1-NZ 2.66Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å; D71-L75 WeakPolarHBondContact O-CB 3.21Å; D71-L75 PolarHBondContact O-N 2.95Å |
| 72 | L | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -39.2 | 166.3 | -69.8 | 172.5 | 0 | 0 | 0 | 112 | I60 L63 T67 T68 D69 C76 T85 A87 V102 | I60-L72 HydrophobicContact CD1-CD2 4.23Å; L63-L72 HydrophobicContact CD1-CD1 4.41Å; L63-L72 HydrophobicContact CD1-CD2 3.84Å; L63-L72 HydrophobicContact CD1-CG 4.47Å; L63-L72 HydrophobicContact CD2-CD2 3.94Å; T67-L72 HydrophobicContact CG2-CG 4.33Å; T68-L72 PolarHBondContact O-N 3.26Å; D69-L72 WeakPolarHBondContact O-CB 3.44Å; D69-L72 PolarHBondContact O-N 2.9Å; L72-C76 VanDerWaalsContact O-CB 3.28Å; L72-C76 WeakPolarHBondContact O-CB 3.47Å; L72-C76 PolarHBondContact O-N 2.98Å; L72-C76 PolarHBondContact O-SG 2.91Å; L72-C76 VanDerWaalsContact O-SG 3.38Å; L72-T85 HydrophobicContact CB-CG2 4.07Å; L72-A87 HydrophobicContact CD1-CB 3.95Å; L72-V102 HydrophobicContact CB-CG2 4.08Å; L72-V102 HydrophobicContact CD2-CG2 4.31Å |
| 73 | V | 93.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 65.6 Ų | 65.6 | 31% | 0.309 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -56.4 | 172.2 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | D69 Q70 D71 L75 C76 Q77 I82 T85 | D69-V73 WeakPolarHBondContact O-CG2 3.3Å; D69-V73 PolarHBondContact O-N 3.45Å; Q70-V73 WeakPolarHBondContact O-CB 3.22Å; Q70-V73 PolarHBondContact O-N 3.48Å; D71-V73 VanDerWaalsContact C-N 3.35Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; V73-C76 PolarHBondContact O-N 3.47Å; V73-C76 VanDerWaalsContact O-N 3.11Å; V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 PolarHBondContact O-N 3.11Å; V73-I82 HydrophobicContact CG1-CD1 4.38Å; V73-T85 HydrophobicContact CB-CG2 4.5Å; V73-T85 HydrophobicContact CG2-CG2 3.52Å |
| 74 | K | 92.8 | Very high | 91.5 | Very high | 118 Ų | 118 | 67.4 Ų | 67.4 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -53.8 | -44 | -179.7 | -66.4 | 162.4 | -155.3 | 162.8 | 0 | 112.2 | Q70 D71 | Q70-K74 VanDerWaalsContact O-CG 3.27Å; Q70-K74 WeakPolarHBondContact O-CG 3.38Å; Q70-K74 PolarHBondContact O-N 2.97Å; D71-K74 PolarHBondContact O-N 2.64Å; D71-K74 IonicContact OD1-NZ 2.66Å; D71-K74 PolarHBondContact OD1-NZ 3.09Å |
| 75 | L | 90.9 | Very high | 91.7 | Very high | 58 Ų | 58 | 62.1 Ų | 62.1 | 30% | 0.304 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | -179.4 | 179.8 | 61.4 | 0 | 0 | 0 | 113 | D71 V73 Y79 L117 | D71-L75 WeakPolarHBondContact O-CB 3.21Å; D71-L75 PolarHBondContact O-N 2.95Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 2.78Å; L75-Y79 VanDerWaalsContact O-CE2 3.32Å; L75-Y79 WeakPolarHBondContact O-CE2 3.47Å; L75-L117 HydrophobicContact CD1-CD2 3.74Å; L75-L117 HydrophobicContact CD2-CD2 4.11Å; L75-L117 HydrophobicContact CG-CD2 3.71Å |
| 76 | C | 91.8 | Very high | 92 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -100 | -21.8 | -172.5 | -65.2 | 0 | 0 | 0 | 0 | 114.3 | L72 V73 Y79 I82 V102 F104 | L72-C76 VanDerWaalsContact O-CB 3.28Å; L72-C76 WeakPolarHBondContact O-CB 3.47Å; L72-C76 PolarHBondContact O-N 2.98Å; L72-C76 PolarHBondContact O-SG 2.91Å; L72-C76 VanDerWaalsContact O-SG 3.38Å; V73-C76 PolarHBondContact O-N 3.47Å; V73-C76 VanDerWaalsContact O-N 3.11Å; C76-Y79 WeakPolarHBondContact O-CD2 3.24Å; C76-Y79 PolarHBondContact O-N 2.81Å; C76-I82 HydrophobicContact CB-CD1 3.66Å; C76-I82 HydrophobicContact CB-CG1 4.41Å; C76-V102 HydrophobicContact CB-CG1 3.96Å; C76-F104 HydrophobicContact CB-CE2 4.14Å; C76-F104 HydrophobicContact CB-CZ 3.83Å; C76-F104 WeakPolarHBondContact O-CZ 3.35Å |
| 77 | Q | 92.5 | Very high | 92.3 | Very high | 125 Ų | 125 | 62 Ų | 62 | 58% | 0.584 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -50.7 | -39.7 | -179.9 | -179 | 174 | -3.2 | 0 | 0 | 115.5 | V73 Y79 G80 | V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 PolarHBondContact O-N 3.11Å; Q77-Y79 PolarHBondContact O-N 3.26Å; Q77-Y79 VanDerWaalsContact O-N 3.15Å; Q77-G80 PolarHBondContact O-N 2.84Å |
| 78 | P | 93.4 | Very high | 92.4 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -67.8 | -11.2 | 179 | 26.2 | -35.7 | 0 | 0 | 0 | 114.5 | ||
| 79 | Y | 92.1 | Very high | 92.4 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -93.5 | -18.9 | -180 | -49.9 | -53.8 | 0 | 0 | 0 | 113.4 | L75 C76 Q77 A113 A116 L117 | L75-Y79 VanDerWaalsContact O-CE2 3.32Å; L75-Y79 WeakPolarHBondContact O-CE2 3.47Å; C76-Y79 WeakPolarHBondContact O-CD2 3.24Å; C76-Y79 PolarHBondContact O-N 2.81Å; Q77-Y79 PolarHBondContact O-N 3.26Å; Q77-Y79 VanDerWaalsContact O-N 3.15Å; Y79-A113 HydrophobicContact CD2-CB 3.78Å; Y79-A113 HydrophobicContact CG-CB 3.97Å; Y79-A116 HydrophobicContact CD1-CB 3.82Å; Y79-A116 HydrophobicContact CE1-CB 3.27Å; Y79-A116 HydrophobicContact CE2-CB 4.42Å; Y79-L117 HydrophobicContact CE2-CD2 3.81Å; Y79-L117 HydrophobicContact CE2-CG 3.88Å |
| 80 | G | 91.4 | Very high | 92.2 | Very high | 26 Ų | 26 | 62.3 Ų | 62.3 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 158.9 | -177.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q77 I82 F104 | Q77-G80 PolarHBondContact O-N 2.84Å; G80-I82 PolarHBondContact O-N 3.12Å; G80-F104 WeakPolarHBondContact O-CE1 3.33Å |
| 81 | K | 93.3 | Very high | 92 | Very high | 134 Ų | 134 | 65.9 Ų | 65.9 | 58% | 0.583 | 34% | 0.337 | S | S | * | . | trans | -70.2 | 127.5 | 177.6 | 178 | -178.1 | 155 | -149.8 | 0 | 110.7 | F104 D105 | K81-F104 VanDerWaalsContact O-CD1 3.31Å; K81-F104 WeakPolarHBondContact O-CD1 3.41Å; K81-D105 HydrophobicContact CB-CB 3.91Å; K81-D105 HydrophobicContact CD-CB 3.91Å; K81-D105 WeakPolarHBondContact CD-OD2 3.48Å; K81-D105 VanDerWaalsContact CE-CG 3.42Å; K81-D105 VanDerWaalsContact CE-OD1 3.27Å; K81-D105 WeakPolarHBondContact CE-OD1 3.15Å; K81-D105 WeakPolarHBondContact CE-OD2 3.22Å; K81-D105 HydrophobicContact CG-CB 3.87Å; K81-D105 IonicContact NZ-OD1 3.7Å; K81-D105 PolarHBondContact NZ-OD1 2.83Å; K81-D105 IonicContact NZ-OD2 2.78Å; K81-D105 PolarHBondContact NZ-OD2 3.27Å; K81-D105 WeakPolarHBondContact O-CB 3.45Å; K81-D105 PolarHBondContact O-N 3.5Å | ||
| 82 | I | 93.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137 | 177.5 | -61.4 | 168.1 | 0 | 0 | 0 | 109.3 | V73 C76 G80 S84 T85 V102 F104 | V73-I82 HydrophobicContact CG1-CD1 4.38Å; C76-I82 HydrophobicContact CB-CD1 3.66Å; C76-I82 HydrophobicContact CB-CG1 4.41Å; G80-I82 PolarHBondContact O-N 3.12Å; I82-S84 WeakPolarHBondContact CG2-O 3.46Å; I82-T85 HydrophobicContact CG2-CG2 3.82Å; I82-V102 HydrophobicContact CD1-CG1 4.3Å; I82-V102 HydrophobicContact CG1-CG1 4.22Å; I82-V102 HydrophobicContact CG2-CG1 4.06Å; I82-F104 HydrophobicContact CG1-CD1 4.41Å; I82-F104 HydrophobicContact CG1-CE1 4.03Å; I82-F104 HydrophobicContact CG1-CZ 4.13Å |
| 83 | V | 92.5 | Very high | 91.7 | Very high | 59 Ų | 59 | 72.9 Ų | 72.9 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -38.6 | 173.4 | 172.9 | 0 | 0 | 0 | 0 | 111 | D103 D105 | V83-D103 PolarHBondContact N-O 2.79Å; V83-D105 HydrophobicContact CG2-CB 3.95Å |
| 84 | S | 89.6 | Confident | 91.4 | Very high | 57 Ų | 57 | 75.9 Ų | 75.9 | 40% | 0.399 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 151.2 | -179.5 | -169.4 | 0 | 0 | 0 | 0 | 112 | I82 D103 | I82-S84 WeakPolarHBondContact CG2-O 3.46Å; S84-D103 PolarHBondContact N-O 3.33Å; S84-D103 PolarHBondContact O-N 3.37Å |
| 85 | T | 93.3 | Very high | 91.3 | Very high | 27 Ų | 27 | 76.5 Ų | 76.5 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 154.3 | 165.7 | 56.6 | 0 | 0 | 0 | 0 | 110 | D69 L72 V73 I82 F101 V102 | D69-T85 PolarHBondContact O-OG1 3.4Å; L72-T85 HydrophobicContact CB-CG2 4.07Å; V73-T85 HydrophobicContact CB-CG2 4.5Å; V73-T85 HydrophobicContact CG2-CG2 3.52Å; I82-T85 HydrophobicContact CG2-CG2 3.82Å; T85-F101 CarbonylContact C-O 3.55Å; T85-F101 WeakPolarHBondContact CA-O 3.26Å; T85-V102 HydrophobicContact CG2-CG1 4.18Å; T85-V102 HydrophobicContact CG2-CG2 4.07Å |
| 86 | K | 92.8 | Very high | 91.2 | Very high | 128 Ų | 128 | 74.2 Ų | 74.2 | 56% | 0.557 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 99.5 | 172.8 | -163.8 | -178.5 | -177.3 | 177.8 | 0 | 112.5 | D69 I88 G100 F101 | D69-K86 VanDerWaalsContact OD1-CA 3.26Å; D69-K86 WeakPolarHBondContact OD1-CA 3.38Å; K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 4.07Å; K86-G100 CarbonylContact O-C 3.54Å; K86-G100 WeakPolarHBondContact O-CA 3.38Å; K86-F101 PolarHBondContact N-O 3.01Å; K86-F101 PolarHBondContact O-N 2.88Å |
| 87 | A | 92.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 79.4 Ų | 79.4 | 6% | 0.058 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 134.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109 | D69 L72 L89 | D69-A87 PolarHBondContact OD1-N 2.82Å; L72-A87 HydrophobicContact CD1-CB 3.95Å; A87-L89 HydrophobicContact CB-CD2 4.49Å; A87-L89 PolarHBondContact O-N 2.72Å |
| 88 | I | 92.2 | Very high | 91.1 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 18% | 0.179 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 102.3 | 176.4 | -55.9 | -55.9 | 0 | 0 | 0 | 108.6 | K86 K97 Y99 F101 | K86-I88 HydrophobicContact CD-CD1 3.97Å; K86-I88 HydrophobicContact CG-CD1 4.07Å; I88-K97 HydrophobicContact CG2-CD 3.95Å; I88-K97 WeakPolarHBondContact O-CB 3.25Å; I88-K97 WeakPolarHBondContact O-CG 3.42Å; I88-K97 PolarHBondContact O-N 2.97Å; I88-Y99 HydrophobicContact CB-CD2 4.03Å; I88-Y99 HydrophobicContact CB-CE2 3.69Å; I88-Y99 HydrophobicContact CG1-CD2 3.83Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE2 3.93Å; I88-Y99 PolarHBondContact N-O 2.73Å; I88-F101 HydrophobicContact CD1-CD2 3.91Å; I88-F101 HydrophobicContact CD1-CE2 3.98Å; I88-F101 HydrophobicContact CG1-CD2 3.93Å; I88-F101 HydrophobicContact CG1-CE2 3.78Å |
| 89 | L | 91.5 | Very high | 91.1 | Very high | 89 Ų | 89 | 73 Ų | 73 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 147.5 | 173.1 | -51.2 | -175.5 | 0 | 0 | 0 | 111.1 | A87 K95 C96 | A87-L89 HydrophobicContact CB-CD2 4.49Å; A87-L89 PolarHBondContact O-N 2.72Å; L89-K95 CarbonylContact C-O 3.54Å; L89-K95 VanDerWaalsContact CA-O 3.32Å; L89-K95 WeakPolarHBondContact CA-O 3.38Å; L89-C96 HydrophobicContact CD2-CB 4.2Å |
| 90 | D | 88.9 | Confident | 91.1 | Very high | 48 Ų | 48 | 70.6 Ų | 70.6 | 26% | 0.257 | 37% | 0.366 | S | S | . | . | trans | -75.9 | 140.8 | 165.7 | 172.5 | 37 | 0 | 0 | 0 | 110.2 | T92 T93 N94 K95 K97 | D90-T92 PolarHBondContact OD2-OG1 2.93Å; D90-T93 WeakPolarHBondContact CB-OG1 3.21Å; D90-T93 WeakPolarHBondContact OD2-CB 3.42Å; D90-T93 WeakPolarHBondContact OD2-CG2 3.37Å; D90-T93 PolarHBondContact OD2-N 3.07Å; D90-T93 VanDerWaalsContact OD2-N 3.09Å; D90-T93 PolarHBondContact OD2-OG1 3.42Å; D90-N94 WeakPolarHBondContact O-CA 3.17Å; D90-N94 PolarHBondContact O-N 2.96Å; D90-K95 PolarHBondContact N-O 3.32Å; D90-K97 HydrophobicContact CB-CD 4.37Å; D90-K97 HydrophobicContact CB-CG 3.82Å | ||
| 91 | K | 88.3 | Confident | 91.3 | Very high | 195 Ų | 195 | 72.3 Ų | 72.3 | 85% | 0.848 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -26.8 | -173.3 | -73.3 | -171.2 | 175.5 | -174.9 | 0 | 113.7 | ||
| 92 | T | 90 | Very high | 91.3 | Very high | 118 Ų | 118 | 66 Ų | 66 | 72% | 0.724 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -49.1 | -179.7 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | D90 | D90-T92 PolarHBondContact OD2-OG1 2.93Š|
| 93 | T | 89 | Confident | 91.3 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.2 | -177.7 | 63.9 | 0 | 0 | 0 | 0 | 114.8 | D90 K95 | D90-T93 WeakPolarHBondContact CB-OG1 3.21Å; D90-T93 WeakPolarHBondContact OD2-CB 3.42Å; D90-T93 WeakPolarHBondContact OD2-CG2 3.37Å; D90-T93 PolarHBondContact OD2-N 3.07Å; D90-T93 VanDerWaalsContact OD2-N 3.09Å; D90-T93 PolarHBondContact OD2-OG1 3.42Å; T93-K95 PolarHBondContact O-N 2.84Å; T93-K95 VanDerWaalsContact O-N 3.11Å; T93-K95 PolarHBondContact OG1-N 3.07Å |
| 94 | N | 87.1 | Confident | 91.4 | Very high | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | trans | 56.9 | 14.5 | -171.3 | -69.1 | -91.6 | 0 | 0 | 0 | 114.9 | D90 | D90-N94 WeakPolarHBondContact O-CA 3.17Å; D90-N94 PolarHBondContact O-N 2.96Å | ||
| 95 | K | 89.6 | Confident | 91.6 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 57% | 0.574 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -93.9 | 158.1 | 176.4 | -63.9 | -172 | -177.9 | -176 | 0 | 111.5 | L89 D90 T93 K97 | L89-K95 CarbonylContact C-O 3.54Å; L89-K95 VanDerWaalsContact CA-O 3.32Å; L89-K95 WeakPolarHBondContact CA-O 3.38Å; D90-K95 PolarHBondContact N-O 3.32Å; T93-K95 PolarHBondContact O-N 2.84Å; T93-K95 VanDerWaalsContact O-N 3.11Å; T93-K95 PolarHBondContact OG1-N 3.07Å; K95-K97 PolarHBondContact O-N 3.34Å |
| 96 | C | 89.3 | Confident | 91.5 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 133.1 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 110.9 | Q64 P65 L89 G98 | Q64-C96 WeakPolarHBondContact O-CB 3.35Å; P65-C96 PolarHBondContact O-N 2.94Å; L89-C96 HydrophobicContact CD2-CB 4.2Å; C96-G98 PolarHBondContact O-N 3.22Å |
| 97 | K | 90.8 | Very high | 91.5 | Very high | 110 Ų | 110 | 60.7 Ų | 60.7 | 48% | 0.478 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 15.2 | 176 | -62.9 | -178 | 74.4 | -162.7 | 0 | 113.8 | I88 D90 K95 Y99 | I88-K97 HydrophobicContact CG2-CD 3.95Å; I88-K97 WeakPolarHBondContact O-CB 3.25Å; I88-K97 WeakPolarHBondContact O-CG 3.42Å; I88-K97 PolarHBondContact O-N 2.97Å; D90-K97 HydrophobicContact CB-CD 4.37Å; D90-K97 HydrophobicContact CB-CG 3.82Å; K95-K97 PolarHBondContact O-N 3.34Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 3.84Å; K97-Y99 HydrophobicContact CB-CE1 3.52Å; K97-Y99 HydrophobicContact CD-CE1 4.14Å; K97-Y99 HydrophobicContact CG-CE1 4.47Å; K97-Y99 PolarHBondContact NZ-OH 3.17Å; K97-Y99 VanDerWaalsContact NZ-OH 3.12Å; K97-Y99 WeakPolarHBondContact O-CD1 3.18Å; K97-Y99 PolarHBondContact O-N 2.84Å |
| 98 | G | 91 | Very high | 91.5 | Very high | 18 Ų | 18 | 64.4 Ų | 64.4 | 19% | 0.186 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.5 | 13.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R61 G62 L63 C96 | R61-G98 CarbonylContact C-O 3.5Å; R61-G98 WeakPolarHBondContact CA-O 3.21Å; G62-G98 PolarHBondContact N-O 2.79Å; L63-G98 PolarHBondContact N-O 3.18Å; L63-G98 VanDerWaalsContact N-O 3.09Å; L63-G98 WeakPolarHBondContact O-CA 3.4Å; C96-G98 PolarHBondContact O-N 3.22Å |
| 99 | Y | 93.3 | Very high | 91.6 | Very high | 58 Ų | 58 | 63.2 Ų | 63.2 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 156.8 | 174.3 | 68.8 | -86.3 | 0 | 0 | 0 | 113.8 | Y59 I60 L63 I88 K97 F101 | Y59-Y99 HydrophobicContact CD2-CD2 4.47Å; Y59-Y99 AromaticContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CD2 3.58Å; Y59-Y99 HydrophobicContact CE2-CE2 4.36Å; Y59-Y99 HydrophobicContact CE2-CG 4Å; I60-Y99 CarbonylContact O-C 3.53Å; I60-Y99 WeakPolarHBondContact O-CA 3.34Å; I60-Y99 WeakPolarHBondContact O-CB 3.49Å; L63-Y99 VanDerWaalsContact CD1-C 3.46Å; I88-Y99 HydrophobicContact CB-CD2 4.03Å; I88-Y99 HydrophobicContact CB-CE2 3.69Å; I88-Y99 HydrophobicContact CG1-CD2 3.83Å; I88-Y99 HydrophobicContact CG1-CE2 3.56Å; I88-Y99 HydrophobicContact CG2-CE2 3.93Å; I88-Y99 PolarHBondContact N-O 2.73Å; K97-Y99 VanDerWaalsContact C-N 3.29Å; K97-Y99 HydrophobicContact CB-CD1 3.84Å; K97-Y99 HydrophobicContact CB-CE1 3.52Å; K97-Y99 HydrophobicContact CD-CE1 4.14Å; K97-Y99 HydrophobicContact CG-CE1 4.47Å; K97-Y99 PolarHBondContact NZ-OH 3.17Å; K97-Y99 VanDerWaalsContact NZ-OH 3.12Å; K97-Y99 WeakPolarHBondContact O-CD1 3.18Å; K97-Y99 PolarHBondContact O-N 2.84Å; Y99-F101 HydrophobicContact CD2-CE2 4.39Å; Y99-F101 HydrophobicContact CE2-CE2 4.41Å |
| 100 | G | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 175.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I60 K86 | I60-G100 PolarHBondContact N-O 2.98Å; I60-G100 PolarHBondContact O-N 3.27Å; K86-G100 CarbonylContact O-C 3.54Å; K86-G100 WeakPolarHBondContact O-CA 3.38Å |
| 101 | F | 94.6 | Very high | 91.9 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 146.1 | -178 | -63.7 | -90.2 | 0 | 0 | 0 | 111.8 | L58 Y59 T85 K86 I88 Y99 A127 | L58-F101 WeakPolarHBondContact O-CA 3.44Å; Y59-F101 HydrophobicContact CD2-CD1 4.41Å; Y59-F101 AromaticContact CD2-CE1 3.76Å; Y59-F101 HydrophobicContact CD2-CE1 3.76Å; Y59-F101 AromaticContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CD2-CZ 3.83Å; Y59-F101 HydrophobicContact CE2-CZ 4.37Å; T85-F101 CarbonylContact C-O 3.55Å; T85-F101 WeakPolarHBondContact CA-O 3.26Å; K86-F101 PolarHBondContact N-O 3.01Å; K86-F101 PolarHBondContact O-N 2.88Å; I88-F101 HydrophobicContact CD1-CD2 3.91Å; I88-F101 HydrophobicContact CD1-CE2 3.98Å; I88-F101 HydrophobicContact CG1-CD2 3.93Å; I88-F101 HydrophobicContact CG1-CE2 3.78Å; Y99-F101 HydrophobicContact CD2-CE2 4.39Å; Y99-F101 HydrophobicContact CE2-CE2 4.41Å; F101-A127 HydrophobicContact CD1-CB 4.19Å; F101-A127 HydrophobicContact CE1-CB 4.32Å |
| 102 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 117.7 | 177.5 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | N57 L58 I60 L72 C76 I82 T85 F104 | N57-V102 CarbonylContact C-O 3.49Å; N57-V102 WeakPolarHBondContact CA-O 3.48Å; N57-V102 PolarHBondContact OD1-O 2.74Å; L58-V102 HydrophobicContact CB-CB 4.42Å; L58-V102 WeakPolarHBondContact CB-O 3.46Å; L58-V102 PolarHBondContact N-O 2.79Å; L58-V102 PolarHBondContact O-N 3.03Å; L58-V102 VanDerWaalsContact O-N 3.09Å; I60-V102 HydrophobicContact CD1-CB 4.45Å; I60-V102 HydrophobicContact CD1-CG2 3.79Å; L72-V102 HydrophobicContact CB-CG2 4.08Å; L72-V102 HydrophobicContact CD2-CG2 4.31Å; C76-V102 HydrophobicContact CB-CG1 3.96Å; I82-V102 HydrophobicContact CD1-CG1 4.3Å; I82-V102 HydrophobicContact CG1-CG1 4.22Å; I82-V102 HydrophobicContact CG2-CG1 4.06Å; T85-V102 HydrophobicContact CG2-CG1 4.18Å; T85-V102 HydrophobicContact CG2-CG2 4.07Å; V102-F104 HydrophobicContact CG1-CD2 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CZ 4.43Å |
| 103 | D | 93.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 53.5 Ų | 53.5 | 6% | 0.064 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 122 | -179.4 | -166.3 | 21.8 | 0 | 0 | 0 | 109.5 | L53 T56 N57 V83 S84 R225 | L53-D103 WeakPolarHBondContact CD2-OD2 3.26Å; T56-D103 WeakPolarHBondContact CB-OD1 3.39Å; T56-D103 PolarHBondContact OG1-OD1 3.04Å; N57-D103 HydrophobicContact CB-CB 4.47Å; V83-D103 PolarHBondContact N-O 2.79Å; S84-D103 PolarHBondContact N-O 3.33Å; S84-D103 PolarHBondContact O-N 3.37Å; D103-R225 IonicContact OD2-NH2 2.91Å |
| 104 | F | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.009 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 155.8 | -177.8 | -87.6 | -94 | 0 | 0 | 0 | 113.1 | T56 L58 C76 G80 K81 I82 V102 S106 A109 A110 A113 | T56-F104 VanDerWaalsContact CB-O 3.27Å; T56-F104 WeakPolarHBondContact CB-O 3.39Å; T56-F104 PolarHBondContact O-N 3.01Å; L58-F104 HydrophobicContact CD1-CD2 3.76Å; L58-F104 HydrophobicContact CD1-CE2 3.47Å; L58-F104 VanDerWaalsContact CD1-CE2 3.47Å; L58-F104 HydrophobicContact CG-CD2 4.36Å; L58-F104 HydrophobicContact CG-CE2 4.5Å; C76-F104 HydrophobicContact CB-CE2 4.14Å; C76-F104 HydrophobicContact CB-CZ 3.83Å; C76-F104 WeakPolarHBondContact O-CZ 3.35Å; G80-F104 WeakPolarHBondContact O-CE1 3.33Å; K81-F104 VanDerWaalsContact O-CD1 3.31Å; K81-F104 WeakPolarHBondContact O-CD1 3.41Å; I82-F104 HydrophobicContact CG1-CD1 4.41Å; I82-F104 HydrophobicContact CG1-CE1 4.03Å; I82-F104 HydrophobicContact CG1-CZ 4.13Å; V102-F104 HydrophobicContact CG1-CD2 3.96Å; V102-F104 HydrophobicContact CG1-CE2 3.62Å; V102-F104 HydrophobicContact CG1-CZ 4.43Å; F104-S106 PolarHBondContact O-N 2.89Å; F104-A109 HydrophobicContact CB-CB 4.42Å; F104-A109 HydrophobicContact CD1-CB 3.6Å; F104-A109 HydrophobicContact CE1-CB 4.17Å; F104-A109 HydrophobicContact CG-CB 4.25Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 4.34Å; F104-A110 HydrophobicContact CG-CB 4.45Å; F104-A113 HydrophobicContact CE2-CB 3.86Å; F104-A113 HydrophobicContact CZ-CB 3.84Å |
| 105 | D | 92.7 | Very high | 92.9 | Very high | 87 Ų | 87 | 49.9 Ų | 49.9 | 47% | 0.465 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -72.3 | -17.3 | 178.8 | -156.9 | 67.3 | 0 | 0 | 0 | 113 | K81 V83 | K81-D105 HydrophobicContact CB-CB 3.91Å; K81-D105 HydrophobicContact CD-CB 3.91Å; K81-D105 WeakPolarHBondContact CD-OD2 3.48Å; K81-D105 VanDerWaalsContact CE-CG 3.42Å; K81-D105 VanDerWaalsContact CE-OD1 3.27Å; K81-D105 WeakPolarHBondContact CE-OD1 3.15Å; K81-D105 WeakPolarHBondContact CE-OD2 3.22Å; K81-D105 HydrophobicContact CG-CB 3.87Å; K81-D105 IonicContact NZ-OD1 3.7Å; K81-D105 PolarHBondContact NZ-OD1 2.83Å; K81-D105 IonicContact NZ-OD2 2.78Å; K81-D105 PolarHBondContact NZ-OD2 3.27Å; K81-D105 WeakPolarHBondContact O-CB 3.45Å; K81-D105 PolarHBondContact O-N 3.5Å; V83-D105 HydrophobicContact CG2-CB 3.95Å |
| 106 | S | 92.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 45 Ų | 45 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -143.7 | 145.8 | 175.4 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | F104 S108 A109 A110 | F104-S106 PolarHBondContact O-N 2.89Å; S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 2.94Å; S106-A109 PolarHBondContact O-N 3.37Å; S106-A109 WeakPolarHBondContact OG-CB 3.3Å; S106-A109 PolarHBondContact OG-N 2.79Å; S106-A110 PolarHBondContact O-N 3.29Å |
| 107 | P | 91.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 44.5 Ų | 44.5 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -30.4 | -179.5 | 27.4 | -35.2 | 0 | 0 | 0 | 112.4 | K55 T56 A109 A110 Q111 | K55-P107 HydrophobicContact CB-CB 4.26Å; K55-P107 VanDerWaalsContact O-CA 3.32Å; K55-P107 WeakPolarHBondContact O-CA 3.39Å; K55-P107 VanDerWaalsContact O-CB 3.24Å; K55-P107 WeakPolarHBondContact O-CB 3.3Å; T56-P107 HydrophobicContact CG2-CB 4.46Å; P107-A109 VanDerWaalsContact C-N 3.34Å; P107-A109 PolarHBondContact O-N 3.38Å; P107-A110 WeakPolarHBondContact O-CB 3.25Å; P107-A110 PolarHBondContact O-N 2.98Å; P107-Q111 WeakPolarHBondContact O-CG 3.48Å; P107-Q111 PolarHBondContact O-N 2.88Å |
| 108 | S | 93.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 59% | 0.587 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -65.3 | -36.2 | 175.7 | -47.2 | 0 | 0 | 0 | 0 | 112.3 | S106 K112 | S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 2.94Å; S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 PolarHBondContact O-N 3.01Å |
| 109 | A | 94.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | F104 S106 P107 K112 A113 | F104-A109 HydrophobicContact CB-CB 4.42Å; F104-A109 HydrophobicContact CD1-CB 3.6Å; F104-A109 HydrophobicContact CE1-CB 4.17Å; F104-A109 HydrophobicContact CG-CB 4.25Å; S106-A109 PolarHBondContact O-N 3.37Å; S106-A109 WeakPolarHBondContact OG-CB 3.3Å; S106-A109 PolarHBondContact OG-N 2.79Å; P107-A109 VanDerWaalsContact C-N 3.34Å; P107-A109 PolarHBondContact O-N 3.38Å; A109-K112 PolarHBondContact O-N 3.07Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.8Å |
| 110 | A | 93.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.9 | -48.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T56 L58 F104 S106 P107 K112 A113 V114 M126 | T56-A110 WeakPolarHBondContact O-CB 3.41Å; L58-A110 HydrophobicContact CD2-CB 4.05Å; L58-A110 HydrophobicContact CG-CB 4.38Å; F104-A110 HydrophobicContact CB-CB 4.15Å; F104-A110 HydrophobicContact CD2-CB 4.34Å; F104-A110 HydrophobicContact CG-CB 4.45Å; S106-A110 PolarHBondContact O-N 3.29Å; P107-A110 WeakPolarHBondContact O-CB 3.25Å; P107-A110 PolarHBondContact O-N 2.98Å; A110-K112 PolarHBondContact O-N 2.86Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 2.68Å; A110-V114 PolarHBondContact O-N 2.91Å; A110-M126 HydrophobicContact CB-CE 4.01Å; A110-M126 HydrophobicContact CB-SD 4.28Å |
| 111 | Q | 93.3 | Very high | 92.9 | Very high | 123 Ų | 123 | 52.9 Ų | 52.9 | 58% | 0.575 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.3 | -42.8 | 176.7 | -73 | 179.5 | -25.6 | 0 | 0 | 112.6 | P107 A113 V114 T115 | P107-Q111 WeakPolarHBondContact O-CG 3.48Å; P107-Q111 PolarHBondContact O-N 2.88Å; Q111-A113 VanDerWaalsContact C-N 3.31Å; Q111-A113 PolarHBondContact O-N 3.14Å; Q111-V114 PolarHBondContact O-N 2.89Å; Q111-T115 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-OG1 2.81Å |
| 112 | K | 94.2 | Very high | 92.7 | Very high | 123 Ų | 123 | 51.6 Ų | 51.6 | 54% | 0.535 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 173.8 | -174.9 | -173.6 | 177.9 | -168.2 | 0 | 111.3 | S108 A109 A110 T115 A116 | S108-K112 WeakPolarHBondContact O-CB 3.4Å; S108-K112 PolarHBondContact O-N 3.01Å; A109-K112 PolarHBondContact O-N 3.07Å; A110-K112 PolarHBondContact O-N 2.86Å; K112-T115 PolarHBondContact O-N 3.48Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.78Å |
| 113 | A | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L58 Y79 F104 A109 A110 Q111 T115 A116 L117 | L58-A113 HydrophobicContact CD1-CB 3.7Å; Y79-A113 HydrophobicContact CD2-CB 3.78Å; Y79-A113 HydrophobicContact CG-CB 3.97Å; F104-A113 HydrophobicContact CE2-CB 3.86Å; F104-A113 HydrophobicContact CZ-CB 3.84Å; A109-A113 WeakPolarHBondContact O-CB 3.32Å; A109-A113 PolarHBondContact O-N 2.8Å; A110-A113 WeakPolarHBondContact O-CB 3.41Å; A110-A113 PolarHBondContact O-N 2.68Å; Q111-A113 VanDerWaalsContact C-N 3.31Å; Q111-A113 PolarHBondContact O-N 3.14Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.11Å; A113-A116 PolarHBondContact O-N 2.66Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CB 3Å; A113-L117 WeakPolarHBondContact O-CD1 3.08Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.14Å |
| 114 | V | 94.2 | Very high | 92.5 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -53.2 | -52.8 | 174 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | L58 A110 Q111 K118 M126 | L58-V114 HydrophobicContact CD2-CG2 3.4Å; A110-V114 PolarHBondContact O-N 2.91Å; Q111-V114 PolarHBondContact O-N 2.89Å; V114-K118 HydrophobicContact CG1-CD 4Å; V114-K118 HydrophobicContact CG1-CG 4.5Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 3.31Å; V114-K118 PolarHBondContact O-N 2.91Å; V114-M126 HydrophobicContact CG2-CG 4.36Å; V114-M126 HydrophobicContact CG2-SD 3.74Å |
| 115 | T | 93.5 | Very high | 92.4 | Very high | 101 Ų | 101 | 61.1 Ų | 61.1 | 62% | 0.62 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | -174.4 | -56.9 | 0 | 0 | 0 | 0 | 111.6 | Q111 K112 A113 A119 | Q111-T115 PolarHBondContact O-N 3.48Å; Q111-T115 PolarHBondContact O-OG1 2.81Å; K112-T115 PolarHBondContact O-N 3.48Å; A113-T115 VanDerWaalsContact C-N 3.34Å; A113-T115 PolarHBondContact O-N 3.11Å; T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 2.81Å |
| 116 | A | 93.7 | Very high | 92.4 | Very high | 29 Ų | 29 | 59.7 Ų | 59.7 | 24% | 0.24 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.4 | -41.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y79 K112 A113 A119 S120 | Y79-A116 HydrophobicContact CD1-CB 3.82Å; Y79-A116 HydrophobicContact CE1-CB 3.27Å; Y79-A116 HydrophobicContact CE2-CB 4.42Å; K112-A116 WeakPolarHBondContact O-CB 3.37Å; K112-A116 PolarHBondContact O-N 2.78Å; A113-A116 PolarHBondContact O-N 2.66Å; A116-A119 PolarHBondContact O-N 2.81Å; A116-S120 WeakPolarHBondContact O-CB 3.17Å; A116-S120 PolarHBondContact O-N 3.45Å |
| 117 | L | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 176.6 | -69.8 | 170.1 | 0 | 0 | 0 | 111.4 | I60 L75 Y79 A113 A119 S120 G121 V122 A124 | I60-L117 HydrophobicContact CD1-CD1 3.93Å; L75-L117 HydrophobicContact CD1-CD2 3.74Å; L75-L117 HydrophobicContact CD2-CD2 4.11Å; L75-L117 HydrophobicContact CG-CD2 3.71Å; Y79-L117 HydrophobicContact CE2-CD2 3.81Å; Y79-L117 HydrophobicContact CE2-CG 3.88Å; A113-L117 HydrophobicContact CB-CD1 4.39Å; A113-L117 WeakPolarHBondContact O-CB 3Å; A113-L117 WeakPolarHBondContact O-CD1 3.08Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 3.14Å; L117-A119 PolarHBondContact O-N 3.39Å; L117-S120 CarbonylContact O-C 3.42Å; L117-S120 WeakPolarHBondContact O-CA 3.27Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-G121 PolarHBondContact O-N 3.27Å; L117-V122 CarbonylContact C-O 3.47Å; L117-V122 HydrophobicContact CB-CB 4.16Å; L117-V122 HydrophobicContact CB-CG1 4.34Å; L117-V122 HydrophobicContact CD2-CB 4.47Å; L117-V122 HydrophobicContact CD2-CG1 4.45Å; L117-V122 WeakPolarHBondContact O-CB 3.48Å; L117-V122 PolarHBondContact O-N 3Å; L117-A124 HydrophobicContact CB-CB 3.56Å; L117-A124 HydrophobicContact CD1-CB 3.72Å; L117-A124 HydrophobicContact CG-CB 4.3Å |
| 118 | K | 92.3 | Very high | 91.7 | Very high | 123 Ų | 123 | 64.3 Ų | 64.3 | 54% | 0.535 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 172.6 | -77.1 | -178.5 | 179.8 | -172.7 | 0 | 112.3 | V114 S120 G121 V122 A124 | V114-K118 HydrophobicContact CG1-CD 4Å; V114-K118 HydrophobicContact CG1-CG 4.5Å; V114-K118 WeakPolarHBondContact O-CB 3.44Å; V114-K118 VanDerWaalsContact O-CG 3.27Å; V114-K118 WeakPolarHBondContact O-CG 3.31Å; V114-K118 PolarHBondContact O-N 2.91Å; K118-S120 PolarHBondContact O-N 2.78Å; K118-G121 PolarHBondContact O-N 3.22Å; K118-V122 WeakPolarHBondContact CA-O 3.5Å; K118-A124 WeakPolarHBondContact CE-O 3.26Å |
| 119 | A | 91.4 | Very high | 90.6 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 76% | 0.76 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.4 | -30.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T115 A116 L117 G121 | T115-A119 WeakPolarHBondContact O-CB 3.42Å; T115-A119 PolarHBondContact O-N 2.81Å; A116-A119 PolarHBondContact O-N 2.81Å; L117-A119 PolarHBondContact O-N 3.39Å; A119-G121 PolarHBondContact O-N 2.79Å |
| 120 | S | 88.6 | Confident | 89.2 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 10 | 172.4 | -168.5 | 0 | 0 | 0 | 0 | 114.3 | A116 L117 K118 V122 | A116-S120 WeakPolarHBondContact O-CB 3.17Å; A116-S120 PolarHBondContact O-N 3.45Å; L117-S120 CarbonylContact O-C 3.42Å; L117-S120 WeakPolarHBondContact O-CA 3.27Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.87Å; L117-S120 VanDerWaalsContact O-N 3.11Å; K118-S120 PolarHBondContact O-N 2.78Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 2.9Å |
| 121 | G | 88.1 | Confident | 87.9 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 70% | 0.701 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 3.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L117 K118 A119 | L117-G121 PolarHBondContact O-N 3.27Å; K118-G121 PolarHBondContact O-N 3.22Å; A119-G121 PolarHBondContact O-N 2.79Å |
| 122 | V | 90.3 | Very high | 86.5 | Confident | 34 Ų | 34 | 76 Ų | 76 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | trans | -88.2 | 132.7 | -179.6 | 174.9 | 0 | 0 | 0 | 0 | 110.1 | I60 L117 K118 S120 A124 | I60-V122 HydrophobicContact CG2-CG1 3.49Å; I60-V122 VanDerWaalsContact CG2-CG1 3.49Å; L117-V122 CarbonylContact C-O 3.47Å; L117-V122 HydrophobicContact CB-CB 4.16Å; L117-V122 HydrophobicContact CB-CG1 4.34Å; L117-V122 HydrophobicContact CD2-CB 4.47Å; L117-V122 HydrophobicContact CD2-CG1 4.45Å; L117-V122 WeakPolarHBondContact O-CB 3.48Å; L117-V122 PolarHBondContact O-N 3Å; K118-V122 WeakPolarHBondContact CA-O 3.5Å; S120-V122 VanDerWaalsContact C-N 3.31Å; S120-V122 PolarHBondContact O-N 2.9Å; V122-A124 VanDerWaalsContact C-N 3.25Å; V122-A124 PolarHBondContact O-N 3.32Å | ||
| 123 | Q | 91.4 | Very high | 85.3 | Confident | 121 Ų | 121 | 71.7 Ų | 71.7 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 69.8 | -178.9 | -62.3 | -174.9 | -17.3 | 0 | 0 | 112.1 | R61 | R61-Q123 HydrophobicContact CB-CB 4.05Å; R61-Q123 PolarHBondContact N-O 2.89Å; R61-Q123 WeakPolarHBondContact O-CB 3.19Å; R61-Q123 PolarHBondContact O-N 3.36Å |
| 124 | A | 92.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 75.6 Ų | 75.6 | 2% | 0.017 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 145.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y59 I60 L117 K118 V122 | Y59-A124 WeakPolarHBondContact O-CA 3.37Å; I60-A124 HydrophobicContact CG1-CB 4.22Å; L117-A124 HydrophobicContact CB-CB 3.56Å; L117-A124 HydrophobicContact CD1-CB 3.72Å; L117-A124 HydrophobicContact CG-CB 4.3Å; K118-A124 WeakPolarHBondContact CE-O 3.26Å; V122-A124 VanDerWaalsContact C-N 3.25Å; V122-A124 PolarHBondContact O-N 3.32Å |
| 125 | Q | 92.5 | Very high | 84.3 | Confident | 92 Ų | 92 | 75.8 Ų | 75.8 | 43% | 0.43 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 167.1 | 169.8 | 61.1 | 179.7 | 12.9 | 0 | 0 | 110.3 | L58 Y59 A127 | L58-Q125 CarbonylContact C-O 3.55Å; L58-Q125 WeakPolarHBondContact CA-O 3.5Å; Y59-Q125 HydrophobicContact CD1-CG 3.97Å; Y59-Q125 PolarHBondContact N-O 3.04Å; Y59-Q125 PolarHBondContact O-N 3.26Å; Q125-A127 PolarHBondContact O-N 3.32Å |
| 126 | M | 92.6 | Very high | 84.3 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 134.5 | 166.7 | -61.8 | -50.8 | -56.8 | 0 | 0 | 109.5 | K55 N57 L58 A110 V114 K128 | K55-M126 VanDerWaalsContact C-CE 3.41Å; K55-M126 VanDerWaalsContact O-CE 3.22Å; K55-M126 WeakPolarHBondContact O-CE 3.48Å; N57-M126 WeakPolarHBondContact O-CE 3.5Å; L58-M126 HydrophobicContact CD2-CE 4.18Å; L58-M126 HydrophobicContact CD2-SD 3.62Å; A110-M126 HydrophobicContact CB-CE 4.01Å; A110-M126 HydrophobicContact CB-SD 4.28Å; V114-M126 HydrophobicContact CG2-CG 4.36Å; V114-M126 HydrophobicContact CG2-SD 3.74Å; M126-K128 PolarHBondContact O-N 2.99Å |
| 127 | A | 87.7 | Confident | 84.2 | Confident | 6 Ų | 6 | 71 Ų | 71 | 5% | 0.05 | 38% | 0.384 | C | S | . | . | trans | -67 | 117.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109 | N57 F101 Q125 Q129 | N57-A127 HydrophobicContact CB-CB 4.02Å; N57-A127 WeakPolarHBondContact O-CB 3Å; N57-A127 PolarHBondContact O-N 3.36Å; F101-A127 HydrophobicContact CD1-CB 4.19Å; F101-A127 HydrophobicContact CE1-CB 4.32Å; Q125-A127 PolarHBondContact O-N 3.32Å; A127-Q129 PolarHBondContact O-N 3.31Å | ||
| 128 | K | 81.1 | Confident | 84.3 | Confident | 191 Ų | 191 | 73.6 Ų | 73.6 | 83% | 0.83 | 40% | 0.395 | S | S | * | . | trans | -61.1 | 114.9 | 160.8 | -73.1 | -167.5 | 176 | -171.3 | 0 | 107 | M126 Q130 | M126-K128 PolarHBondContact O-N 2.99Å; K128-Q130 PolarHBondContact O-N 2.73Å | ||
| 129 | Q | 69.5 | Low | 84.4 | Confident | 62 Ų | 62 | 67.8 Ų | 67.8 | 29% | 0.29 | 37% | 0.369 | S | S | . | . | trans | -60.4 | 121.3 | 171.9 | -177.4 | 154.7 | 9.6 | 0 | 0 | 107.7 | N50 S54 A127 E131 | N50-Q129 VanDerWaalsContact C-NE2 3.26Å; N50-Q129 PolarHBondContact O-NE2 3.48Å; N50-Q129 PolarHBondContact O-OE1 2.93Å; N50-Q129 VanDerWaalsContact O-OE1 3.13Å; N50-Q129 PolarHBondContact OD1-NE2 3.36Å; S54-Q129 PolarHBondContact OG-OE1 3.35Å; A127-Q129 PolarHBondContact O-N 3.31Å; Q129-E131 PolarHBondContact O-N 2.82Å; Q129-E131 VanDerWaalsContact O-N 3.13Å | ||
| 130 | Q | 66 | Low | 84.5 | Confident | 153 Ų | 153 | 63.7 Ų | 63.7 | 72% | 0.715 | 34% | 0.335 | S | S | * | . | trans | -69 | 112.1 | 168.4 | -176.2 | 166.5 | -14.3 | 0 | 0 | 106.2 | K128 Q132 | K128-Q130 PolarHBondContact O-N 2.73Å; Q130-Q132 PolarHBondContact O-N 2.82Å | ||
| 131 | E | 66.5 | Low | 84.7 | Confident | 151 Ų | 151 | 62.2 Ų | 62.2 | 71% | 0.706 | 32% | 0.321 | S | S | * | . | trans | -59.6 | 108.7 | 173.9 | -172.1 | 162.3 | -152.4 | 0 | 0 | 107.5 | Q129 D133 | Q129-E131 PolarHBondContact O-N 2.82Å; Q129-E131 VanDerWaalsContact O-N 3.13Å; E131-D133 PolarHBondContact O-N 3.42Å | ||
| 132 | Q | 63.4 | Low | 84.8 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | trans | -76.4 | 85.3 | 173.3 | -73.6 | -158 | -55.9 | 0 | 0 | 107.4 | Q130 P134 D219 | Q130-Q132 PolarHBondContact O-N 2.82Å; Q132-P134 WeakPolarHBondContact O-CD 3.42Å; Q132-D219 HydrophobicContact CG-CB 4.44Å; Q132-D219 PolarHBondContact NE2-OD1 3.03Å | ||
| 133 | D | 68 | Low | 84.7 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.171 | 28% | 0.282 | C | S | . | . | trans | -53.1 | 107.1 | 169.1 | -64.3 | -70.4 | 0 | 0 | 0 | 109.4 | E131 T135 N136 R181 | E131-D133 PolarHBondContact O-N 3.42Å; D133-T135 PolarHBondContact O-N 2.78Å; D133-N136 HydrophobicContact CB-CB 3.64Å; D133-N136 PolarHBondContact O-N 2.87Å; D133-R181 IonicContact OD1-CZ 2.73Å; D133-R181 IonicContact OD1-NE 2.74Å; D133-R181 PolarHBondContact OD1-NE 2.78Å; D133-R181 IonicContact OD1-NH2 3.3Å; D133-R181 PolarHBondContact OD1-NH2 2.71Å; D133-R181 IonicContact OD2-CZ 3.7Å; D133-R181 IonicContact OD2-NE 2.71Å; D133-R181 PolarHBondContact OD2-NE 3.11Å; D133-R181 IonicContact OD2-NH2 2.78Å; D133-R181 PolarHBondContact OD2-NH2 2.91Å | ||
| 134 | P | 79.2 | Confident | 84.6 | Confident | 83 Ų | 83 | 58 Ų | 58 | 54% | 0.539 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -16.4 | 179.1 | 33.8 | -36.3 | 0 | 0 | 0 | 110.6 | Q132 T185 F217 | Q132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-T185 HydrophobicContact CB-CG2 3.61Å; P134-T185 HydrophobicContact CG-CG2 3.97Å; P134-F217 VanDerWaalsContact O-CD1 3.31Å; P134-F217 WeakPolarHBondContact O-CD1 3.49Å; P134-F217 WeakPolarHBondContact O-CE1 3.46Å |
| 135 | T | 89.4 | Confident | 84.3 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.123 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 10.1 | 178.3 | 73.4 | 0 | 0 | 0 | 0 | 114.2 | D133 R181 M182 T185 C188 | D133-T135 PolarHBondContact O-N 2.78Å; T135-R181 WeakPolarHBondContact O-CA 3.38Å; T135-R181 VanDerWaalsContact OG1-CG 3.31Å; T135-R181 WeakPolarHBondContact OG1-CG 3.4Å; T135-M182 WeakPolarHBondContact CB-O 3.18Å; T135-M182 PolarHBondContact O-N 3.04Å; T135-M182 PolarHBondContact OG1-O 2.64Å; T135-T185 HydrophobicContact CG2-CG2 4.23Å; T135-C188 VanDerWaalsContact CA-SG 3.5Å; T135-C188 PolarHBondContact O-SG 3.23Å |
| 136 | N | 92.5 | Very high | 84.1 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 16% | 0.16 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 120.4 | -179 | -171.4 | 0.8 | 0 | 0 | 0 | 111.7 | D133 A218 | D133-N136 HydrophobicContact CB-CB 3.64Å; D133-N136 PolarHBondContact O-N 2.87Å; N136-A218 HydrophobicContact CB-CB 4.16Å; N136-A218 WeakPolarHBondContact O-CB 3.5Å; N136-A218 PolarHBondContact O-N 3.39Å |
| 137 | L | 93.5 | Very high | 84 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 140.8 | 178.2 | -67.6 | 171.2 | 0 | 0 | 0 | 111.3 | I139 F179 A180 M182 C188 I191 I192 K216 | L137-I139 HydrophobicContact CB-CG1 4.35Å; L137-F179 VanDerWaalsContact O-CA 3.22Å; L137-F179 WeakPolarHBondContact O-CA 3.47Å; L137-A180 WeakPolarHBondContact CB-O 3.33Å; L137-A180 PolarHBondContact N-O 2.91Å; L137-A180 PolarHBondContact O-N 3.08Å; L137-M182 HydrophobicContact CD1-CG 3.95Å; L137-C188 HydrophobicContact CD1-CB 4.5Å; L137-C188 HydrophobicContact CD2-CB 3.67Å; L137-C188 HydrophobicContact CG-CB 4.1Å; L137-I191 HydrophobicContact CD1-CB 4.05Å; L137-I191 HydrophobicContact CD1-CD1 4Å; L137-I191 HydrophobicContact CD1-CG2 3.57Å; L137-I192 HydrophobicContact CD2-CD1 3.67Å; L137-I192 HydrophobicContact CD2-CG1 3.68Å; L137-K216 CarbonylContact C-O 3.59Å; L137-K216 WeakPolarHBondContact CA-O 3.41Å |
| 138 | Y | 94.1 | Very high | 84.3 | Confident | 55 Ų | 55 | 59.9 Ų | 59.9 | 22% | 0.216 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.3 | 160.3 | 171.1 | -78.1 | 0 | 0 | 0 | 108.2 | S140 V177 F179 K216 | Y138-S140 WeakPolarHBondContact CE1-OG 3.37Å; Y138-V177 HydrophobicContact CD2-CG1 4.15Å; Y138-V177 HydrophobicContact CE2-CG1 3.5Å; Y138-F179 AromaticContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE2 4.43Å; Y138-F179 AromaticContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CE2-CZ 4.34Å; Y138-F179 HydrophobicContact CG-CE1 4.47Å; Y138-K216 HydrophobicContact CD1-CD 4.27Å; Y138-K216 HydrophobicContact CD1-CG 4.02Å; Y138-K216 PolarHBondContact N-O 3.28Å; Y138-K216 PolarHBondContact O-N 2.9Å; Y138-K216 VanDerWaalsContact O-O 3.1Å |
| 139 | I | 94.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.1 | 179.6 | -56.3 | 170.7 | 0 | 0 | 0 | 106.9 | L137 L142 L151 L155 V177 G178 A180 L214 | L137-I139 HydrophobicContact CB-CG1 4.35Å; I139-L142 HydrophobicContact CG2-CD1 4.25Å; I139-L142 HydrophobicContact CG2-CD2 3.71Å; I139-L142 HydrophobicContact CG2-CG 3.99Å; I139-L151 HydrophobicContact CD1-CD1 3.95Å; I139-L155 HydrophobicContact CD1-CD1 3.96Å; I139-L155 HydrophobicContact CD1-CD2 4.19Å; I139-V177 CarbonylContact O-C 3.54Å; I139-V177 WeakPolarHBondContact O-CA 3.42Å; I139-G178 PolarHBondContact N-O 3.19Å; I139-G178 PolarHBondContact O-N 2.74Å; I139-G178 VanDerWaalsContact O-O 3.13Å; I139-A180 HydrophobicContact CD1-CB 4.41Å; I139-L214 CarbonylContact C-O 3.59Å; I139-L214 WeakPolarHBondContact CA-O 3.41Å |
| 140 | S | 93.1 | Very high | 85.9 | Confident | 7 Ų | 7 | 59.7 Ų | 59.7 | 5% | 0.049 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 172.5 | 174 | 70.9 | 0 | 0 | 0 | 0 | 113 | Y138 G176 L214 | Y138-S140 WeakPolarHBondContact CE1-OG 3.37Å; S140-G176 CarbonylContact C-O 3.45Å; S140-G176 WeakPolarHBondContact CA-O 3.31Å; S140-L214 PolarHBondContact N-O 3.41Å; S140-L214 PolarHBondContact O-N 3.46Å; S140-L214 WeakPolarHBondContact OG-CB 3.44Å |
| 141 | N | 91.9 | Very high | 87.2 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 68.3 | 28.4 | -173.3 | -47.9 | 66.9 | 0 | 0 | 0 | 110.8 | G176 P209 D211 P212 | N141-G176 PolarHBondContact N-O 2.9Å; N141-P209 WeakPolarHBondContact O-CB 3.27Å; N141-P209 VanDerWaalsContact O-CG 3.31Å; N141-P209 WeakPolarHBondContact O-CG 3.35Å; N141-D211 HydrophobicContact CB-CB 4.17Å; N141-D211 WeakPolarHBondContact ND2-CB 3.49Å; N141-D211 PolarHBondContact ND2-OD2 2.96Å; N141-P212 WeakPolarHBondContact CB-O 3.46Å |
| 142 | L | 91.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | trans | -69.2 | 152.8 | 169.2 | -64.6 | 171.1 | 0 | 0 | 0 | 110.6 | I139 M146 L151 M154 I166 G176 I200 L213 | I139-L142 HydrophobicContact CG2-CD1 4.25Å; I139-L142 HydrophobicContact CG2-CD2 3.71Å; I139-L142 HydrophobicContact CG2-CG 3.99Å; L142-M146 HydrophobicContact CD2-SD 3.75Å; L142-L151 HydrophobicContact CD1-CD1 4.47Å; L142-L151 HydrophobicContact CD1-CD2 4.34Å; L142-L151 HydrophobicContact CD2-CD1 4.35Å; L142-M154 HydrophobicContact CD2-CE 4.16Å; L142-I166 HydrophobicContact CD1-CD1 3.95Å; L142-G176 PolarHBondContact N-O 3.01Å; L142-G176 WeakPolarHBondContact O-CA 3.27Å; L142-I200 HydrophobicContact CD2-CD1 4.47Å; L142-L213 HydrophobicContact CD2-CD2 3.79Å; L142-L213 HydrophobicContact CG-CD2 4.47Å | ||
| 143 | P | 88.8 | Confident | 89.9 | Confident | 6 Ų | 6 | 45.9 Ų | 45.9 | 4% | 0.039 | 25% | 0.249 | C | C | . | . | trans | -60.2 | 147 | 173.3 | -17.4 | 30 | 0 | 0 | 0 | 111.8 | S145 M146 I200 T202 V206 P209 | P143-S145 PolarHBondContact O-N 3.33Å; P143-M146 HydrophobicContact CB-CB 4.1Å; P143-M146 HydrophobicContact CG-CB 4.16Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.33Å; P143-M146 PolarHBondContact O-N 2.98Å; P143-I200 HydrophobicContact CG-CD1 4.2Å; P143-I200 HydrophobicContact CG-CG2 3.72Å; P143-T202 HydrophobicContact CB-CG2 4Å; P143-T202 HydrophobicContact CG-CG2 3.57Å; P143-V206 HydrophobicContact CB-CG1 4.4Å; P143-P209 HydrophobicContact CB-CG 4.39Å; P143-P209 HydrophobicContact CG-CG 4.07Å | ||
| 144 | L | 88.1 | Confident | 90.9 | Very high | 122 Ų | 122 | 45.8 Ų | 45.8 | 64% | 0.639 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -17.4 | -179.8 | -57.8 | -179.7 | 0 | 0 | 0 | 113.4 | S174 | L144-S174 WeakPolarHBondContact CD2-O 3.27Å; L144-S174 WeakPolarHBondContact O-CB 3.47Å |
| 145 | S | 87 | Confident | 91.5 | Very high | 55 Ų | 55 | 41.9 Ų | 41.9 | 39% | 0.385 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -5.6 | 172.2 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | P143 D147 V206 | P143-S145 PolarHBondContact O-N 3.33Å; S145-D147 PolarHBondContact O-N 2.87Å; S145-V206 VanDerWaalsContact OG-CG1 3.22Å; S145-V206 WeakPolarHBondContact OG-CG1 3.35Å |
| 146 | M | 87.9 | Confident | 91.6 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.054 | 24% | 0.244 | C | C | . | . | trans | -82.7 | 123.1 | -168.5 | -166.4 | 177.4 | -165.9 | 0 | 0 | 111.7 | L142 P143 E150 L151 M154 I200 | L142-M146 HydrophobicContact CD2-SD 3.75Å; P143-M146 HydrophobicContact CB-CB 4.1Å; P143-M146 HydrophobicContact CG-CB 4.16Å; P143-M146 HydrophobicContact CG-SD 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.33Å; P143-M146 PolarHBondContact O-N 2.98Å; M146-E150 WeakPolarHBondContact CA-OE2 3.48Å; M146-E150 HydrophobicContact CE-CB 3.76Å; M146-E150 HydrophobicContact CG-CB 3.93Å; M146-E150 WeakPolarHBondContact CG-OE2 3.16Å; M146-L151 HydrophobicContact CE-CB 4.49Å; M146-M154 HydrophobicContact CE-CB 4.37Å; M146-M154 HydrophobicContact CE-CE 4.19Å; M146-M154 HydrophobicContact CE-SD 4.29Å; M146-I200 HydrophobicContact CE-CD1 3.73Å; M146-I200 HydrophobicContact SD-CD1 3.44Å; M146-I200 WeakPolarHBondContact SD-CD1 3.48Å | ||
| 147 | D | 92 | Very high | 91.6 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 39% | 0.39 | 27% | 0.269 | S | S | . | . | trans | -102 | 166.1 | -175.8 | -73.4 | -30.9 | 0 | 0 | 0 | 112.9 | S145 Q149 E150 L151 R168 | S145-D147 PolarHBondContact O-N 2.87Å; D147-Q149 PolarHBondContact O-N 3.09Å; D147-Q149 VanDerWaalsContact O-N 3.11Å; D147-E150 PolarHBondContact O-N 2.92Å; D147-E150 VanDerWaalsContact O-N 3.14Å; D147-L151 PolarHBondContact O-N 3.03Å; D147-R168 IonicContact OD1-CZ 3.74Å; D147-R168 VanDerWaalsContact OD1-CZ 3.27Å; D147-R168 IonicContact OD1-NH1 3.99Å; D147-R168 PolarHBondContact OD1-NH1 3.06Å; D147-R168 IonicContact OD1-NH2 2.68Å; D147-R168 PolarHBondContact OD1-NH2 3.09Å | ||
| 148 | E | 93.7 | Very high | 91.5 | Very high | 56 Ų | 56 | 53.2 Ų | 53.2 | 26% | 0.262 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -51.1 | -35.4 | -178.2 | -81.1 | 81.4 | 177.4 | 0 | 0 | 114.4 | E152 T164 I166 R168 | E148-E152 PolarHBondContact O-N 3.03Å; E148-T164 WeakPolarHBondContact CB-OG1 3.28Å; E148-T164 PolarHBondContact O-OG1 3.12Å; E148-I166 HydrophobicContact CG-CG1 4.13Å; E148-I166 WeakPolarHBondContact OE1-CB 3.41Å; E148-I166 PolarHBondContact OE1-N 3.11Å; E148-R168 IonicContact OE1-NH2 2.9Å; E148-R168 IonicContact OE2-CZ 3.21Å; E148-R168 IonicContact OE2-NH2 2.98Å; E148-R168 PolarHBondContact OE2-NH2 3.21Å |
| 149 | Q | 93.1 | Very high | 91.3 | Very high | 163 Ų | 163 | 51.1 Ų | 51.1 | 76% | 0.762 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -76.6 | -37.3 | -178.1 | -169.9 | 176.8 | 17.4 | 0 | 0 | 112.5 | D147 L151 E152 G153 | D147-Q149 PolarHBondContact O-N 3.09Å; D147-Q149 VanDerWaalsContact O-N 3.11Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; Q149-E152 PolarHBondContact O-N 3.44Å; Q149-G153 PolarHBondContact O-N 2.76Å |
| 150 | E | 91.4 | Very high | 91.3 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 40% | 0.402 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 172.4 | -61.8 | -169.7 | 126.7 | 0 | 0 | 110.5 | M146 D147 G153 M154 | M146-E150 WeakPolarHBondContact CA-OE2 3.48Å; M146-E150 HydrophobicContact CE-CB 3.76Å; M146-E150 HydrophobicContact CG-CB 3.93Å; M146-E150 WeakPolarHBondContact CG-OE2 3.16Å; D147-E150 PolarHBondContact O-N 2.92Å; D147-E150 VanDerWaalsContact O-N 3.14Å; E150-G153 PolarHBondContact O-N 2.88Å; E150-M154 PolarHBondContact O-N 2.86Å |
| 151 | L | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.4 | -177.2 | 58.2 | 0 | 0 | 0 | 111.5 | I139 L142 M146 D147 Q149 M154 L155 T164 I166 | I139-L151 HydrophobicContact CD1-CD1 3.95Å; L142-L151 HydrophobicContact CD1-CD1 4.47Å; L142-L151 HydrophobicContact CD1-CD2 4.34Å; L142-L151 HydrophobicContact CD2-CD1 4.35Å; M146-L151 HydrophobicContact CE-CB 4.49Å; D147-L151 PolarHBondContact O-N 3.03Å; Q149-L151 VanDerWaalsContact C-N 3.3Å; L151-M154 HydrophobicContact CD1-CE 3.63Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.04Å; L151-T164 HydrophobicContact CB-CG2 4.36Å; L151-T164 HydrophobicContact CD2-CG2 4.35Å; L151-T164 HydrophobicContact CG-CG2 4.07Å; L151-I166 HydrophobicContact CB-CD1 4.49Å; L151-I166 HydrophobicContact CD2-CD1 3.73Å |
| 152 | E | 93.6 | Very high | 91.5 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 171.4 | -168.3 | -153.7 | 123.5 | 0 | 0 | 110.2 | E148 Q149 M154 L155 K156 V161 T164 | E148-E152 PolarHBondContact O-N 3.03Å; Q149-E152 PolarHBondContact O-N 3.44Å; E152-M154 VanDerWaalsContact C-N 3.28Å; E152-M154 PolarHBondContact O-N 3.23Å; E152-L155 PolarHBondContact O-N 2.96Å; E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 2.98Å; E152-K156 IonicContact OE1-NZ 3.27Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å; E152-V161 HydrophobicContact CG-CB 3.96Å; E152-V161 HydrophobicContact CG-CG1 4.2Å; E152-V161 HydrophobicContact CG-CG2 4.07Å; E152-T164 HydrophobicContact CB-CG2 4.08Å |
| 153 | G | 91.8 | Very high | 91.5 | Very high | 43 Ų | 43 | 63 Ų | 63 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.3 | -36 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q149 E150 P157 | Q149-G153 PolarHBondContact O-N 2.76Å; E150-G153 PolarHBondContact O-N 2.88Å; G153-P157 WeakPolarHBondContact O-CD 3.47Å |
| 154 | M | 89.7 | Confident | 91.8 | Very high | 30 Ų | 30 | 64.2 Ų | 64.2 | 15% | 0.148 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.8 | -31.3 | 175.4 | -177.8 | 170.8 | 68.8 | 0 | 0 | 113.3 | L142 M146 E150 L151 E152 F195 I200 L213 | L142-M154 HydrophobicContact CD2-CE 4.16Å; M146-M154 HydrophobicContact CE-CB 4.37Å; M146-M154 HydrophobicContact CE-CE 4.19Å; M146-M154 HydrophobicContact CE-SD 4.29Å; E150-M154 PolarHBondContact O-N 2.86Å; L151-M154 HydrophobicContact CD1-CE 3.63Å; E152-M154 VanDerWaalsContact C-N 3.28Å; E152-M154 PolarHBondContact O-N 3.23Å; M154-F195 HydrophobicContact CG-CD1 4.45Å; M154-F195 HydrophobicContact CG-CE1 3.56Å; M154-F195 HydrophobicContact CG-CE2 4.35Å; M154-F195 HydrophobicContact CG-CZ 3.49Å; M154-F195 VanDerWaalsContact CG-CZ 3.49Å; M154-F195 WeakPolarHBondContact O-CZ 3.24Å; M154-F195 HydrophobicContact SD-CD1 4.15Å; M154-F195 HydrophobicContact SD-CE1 3.73Å; M154-F195 HydrophobicContact SD-CZ 4.25Å; M154-I200 HydrophobicContact CE-CD1 4.27Å; M154-I200 HydrophobicContact SD-CD1 3.7Å; M154-I200 HydrophobicContact SD-CG1 4.1Å; M154-L213 HydrophobicContact CE-CD1 4.32Å; M154-L213 HydrophobicContact SD-CD1 4.27Å |
| 155 | L | 92.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -94.7 | -26.4 | -175.1 | -61.5 | 179.1 | 0 | 0 | 0 | 113.4 | I139 L151 E152 P157 F158 V161 A180 M182 I191 F195 | I139-L155 HydrophobicContact CD1-CD1 3.96Å; I139-L155 HydrophobicContact CD1-CD2 4.19Å; L151-L155 HydrophobicContact CD1-CD1 4.2Å; L151-L155 HydrophobicContact CD1-CG 4.46Å; L151-L155 HydrophobicContact CG-CD1 4.38Å; L151-L155 VanDerWaalsContact O-CG 3.3Å; L151-L155 WeakPolarHBondContact O-CG 3.46Å; L151-L155 PolarHBondContact O-N 3.04Å; E152-L155 PolarHBondContact O-N 2.96Å; L155-P157 VanDerWaalsContact C-N 3.31Å; L155-P157 VanDerWaalsContact O-N 3.16Å; L155-F158 WeakPolarHBondContact O-CB 3.27Å; L155-F158 PolarHBondContact O-N 2.97Å; L155-V161 HydrophobicContact CB-CG2 3.78Å; L155-A180 HydrophobicContact CD1-CB 3.34Å; L155-M182 HydrophobicContact CB-SD 4.41Å; L155-M182 HydrophobicContact CD1-SD 4.4Å; L155-I191 HydrophobicContact CB-CD1 4.43Å; L155-I191 HydrophobicContact CD2-CD1 4.06Å; L155-I191 HydrophobicContact CD2-CG1 4.19Å; L155-I191 HydrophobicContact CD2-CG2 3.57Å; L155-F195 HydrophobicContact CD2-CE2 4.31Å |
| 156 | K | 91.8 | Very high | 92.5 | Very high | 130 Ų | 130 | 64.2 Ų | 64.2 | 57% | 0.565 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.1 | -33.5 | 178.7 | -159 | 167.9 | -161.8 | 141.7 | 0 | 116.1 | E152 F158 | E152-K156 WeakPolarHBondContact O-CB 3.36Å; E152-K156 PolarHBondContact O-N 2.98Å; E152-K156 IonicContact OE1-NZ 3.27Å; E152-K156 PolarHBondContact OE1-NZ 2.9Å; K156-F158 PolarHBondContact O-N 3.46Å |
| 157 | P | 92.4 | Very high | 92.8 | Very high | 106 Ų | 106 | 66.2 Ų | 66.2 | 69% | 0.688 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -18.4 | 175.9 | -23.4 | 35.5 | 0 | 0 | 0 | 114.6 | G153 L155 | G153-P157 WeakPolarHBondContact O-CD 3.47Å; L155-P157 VanDerWaalsContact C-N 3.31Å; L155-P157 VanDerWaalsContact O-N 3.16Å |
| 158 | F | 90.7 | Very high | 92.9 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 23% | 0.228 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -34.4 | -176.5 | -65.4 | -93.2 | 0 | 0 | 0 | 112 | L155 K156 K187 A190 I191 H194 F195 | L155-F158 WeakPolarHBondContact O-CB 3.27Å; L155-F158 PolarHBondContact O-N 2.97Å; K156-F158 PolarHBondContact O-N 3.46Å; F158-K187 WeakPolarHBondContact O-CD 3.49Å; F158-K187 PolarHBondContact O-NZ 2.83Å; F158-A190 HydrophobicContact CD1-CB 4.39Å; F158-I191 HydrophobicContact CB-CD1 3.94Å; F158-I191 HydrophobicContact CB-CG1 3.6Å; F158-I191 HydrophobicContact CD1-CG1 4.15Å; F158-I191 HydrophobicContact CD2-CG1 4.14Å; F158-I191 HydrophobicContact CG-CD1 4.48Å; F158-I191 HydrophobicContact CG-CG1 3.66Å; F158-H194 HydrophobicContact CE1-CB 3.61Å; F158-H194 AromaticContact CE1-CG 3.68Å; F158-H194 HydrophobicContact CZ-CB 3.83Å; F158-H194 AromaticContact CZ-CE1 3.99Å; F158-H194 AromaticContact CZ-CG 3.43Å; F158-H194 VanDerWaalsContact CZ-CG 3.43Å; F158-H194 AromaticContact CZ-ND1 3.37Å; F158-H194 WeakPolarHBondContact CZ-ND1 3.39Å; F158-F195 AromaticContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CE2-CD2 4.39Å; F158-F195 AromaticContact CE2-CE2 3.32Å; F158-F195 HydrophobicContact CE2-CE2 3.32Å; F158-F195 AromaticContact CE2-CZ 3.73Å; F158-F195 HydrophobicContact CE2-CZ 3.73Å; F158-F195 AromaticContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CZ 4.3Å |
| 159 | G | 90.8 | Very high | 92.8 | Very high | 11 Ų | 11 | 68.8 Ų | 68.8 | 11% | 0.113 | 35% | 0.347 | C | S | . | . | S | Bend | trans | 175.5 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V161 E183 | G159-V161 PolarHBondContact O-N 3.26Å; G159-E183 WeakPolarHBondContact CA-OE1 3.41Å |
| 160 | Q | 93.9 | Very high | 92.8 | Very high | 138 Ų | 138 | 67.9 Ų | 67.9 | 65% | 0.645 | 35% | 0.353 | S | S | * | . | trans | -68.6 | 124.7 | 176.1 | -172.2 | 170.5 | 6.2 | 0 | 0 | 111 | M182 E183 | Q160-M182 WeakPolarHBondContact O-CE 3.48Å; Q160-E183 HydrophobicContact CB-CB 4.27Å; Q160-E183 HydrophobicContact CB-CG 4.48Å; Q160-E183 WeakPolarHBondContact CB-OE2 3.04Å; Q160-E183 PolarHBondContact N-OE1 3.04Å; Q160-E183 PolarHBondContact O-N 3.06Å | ||
| 161 | V | 94.9 | Very high | 92.7 | Very high | 21 Ų | 21 | 67.7 Ų | 67.7 | 13% | 0.127 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 127.8 | 171.9 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | E152 L155 G159 T164 M182 | E152-V161 HydrophobicContact CG-CB 3.96Å; E152-V161 HydrophobicContact CG-CG1 4.2Å; E152-V161 HydrophobicContact CG-CG2 4.07Å; L155-V161 HydrophobicContact CB-CG2 3.78Å; G159-V161 PolarHBondContact O-N 3.26Å; V161-T164 HydrophobicContact CG1-CG2 3.76Å; V161-M182 HydrophobicContact CB-SD 4.48Å; V161-M182 HydrophobicContact CG1-SD 4.49Å; V161-M182 HydrophobicContact CG2-CE 3.93Å; V161-M182 HydrophobicContact CG2-SD 4Å |
| 162 | I | 92.9 | Very high | 92.4 | Very high | 100 Ų | 100 | 69.7 Ų | 69.7 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -40.2 | 176.5 | -60.7 | -179.3 | 0 | 0 | 0 | 110.4 | R181 M182 | I162-R181 HydrophobicContact CB-CB 4.26Å; I162-R181 HydrophobicContact CB-CG 4.28Å; I162-R181 WeakPolarHBondContact CB-O 3.37Å; I162-R181 HydrophobicContact CD1-CG 4.29Å; I162-R181 PolarHBondContact N-O 3.35Å; I162-M182 VanDerWaalsContact CD1-O 3.27Å; I162-M182 WeakPolarHBondContact CD1-O 3.46Å |
| 163 | S | 92.5 | Very high | 92.2 | Very high | 53 Ų | 53 | 70.1 Ų | 70.1 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 150.4 | 175.6 | 56 | 0 | 0 | 0 | 0 | 112 | A180 R181 | S163-A180 CarbonylContact O-C 3.59Å; S163-A180 VanDerWaalsContact O-CA 3.3Å; S163-A180 WeakPolarHBondContact O-CA 3.49Å; S163-R181 PolarHBondContact N-O 2.69Å; S163-R181 PolarHBondContact O-N 2.9Å |
| 164 | T | 95 | Very high | 92.2 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 19% | 0.19 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 158.5 | 166.6 | 57.2 | 0 | 0 | 0 | 0 | 110.5 | E148 L151 E152 V161 F179 A180 | E148-T164 WeakPolarHBondContact CB-OG1 3.28Å; E148-T164 PolarHBondContact O-OG1 3.12Å; L151-T164 HydrophobicContact CB-CG2 4.36Å; L151-T164 HydrophobicContact CD2-CG2 4.35Å; L151-T164 HydrophobicContact CG-CG2 4.07Å; E152-T164 HydrophobicContact CB-CG2 4.08Å; V161-T164 HydrophobicContact CG1-CG2 3.76Å; T164-F179 CarbonylContact C-O 3.48Å; T164-F179 WeakPolarHBondContact CA-O 3.46Å; T164-A180 HydrophobicContact CG2-CB 4.23Å |
| 165 | R | 94.3 | Very high | 92.3 | Very high | 171 Ų | 171 | 74.2 Ų | 74.2 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 128.5 | 171.8 | -178.9 | 176.2 | -179.3 | 166.3 | 4.8 | 111 | G178 F179 | R165-G178 CarbonylContact O-C 3.52Å; R165-G178 VanDerWaalsContact O-CA 3.25Å; R165-G178 WeakPolarHBondContact O-CA 3.27Å; R165-F179 PolarHBondContact N-O 3.13Å; R165-F179 PolarHBondContact O-N 2.78Å |
| 166 | I | 94.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 74.5 Ų | 74.5 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.9 | 170.1 | -57.1 | -59.8 | 0 | 0 | 0 | 109.5 | L142 E148 L151 R168 S174 | L142-I166 HydrophobicContact CD1-CD1 3.95Å; E148-I166 HydrophobicContact CG-CG1 4.13Å; E148-I166 WeakPolarHBondContact OE1-CB 3.41Å; E148-I166 PolarHBondContact OE1-N 3.11Å; L151-I166 HydrophobicContact CB-CD1 4.49Å; L151-I166 HydrophobicContact CD2-CD1 3.73Å; I166-R168 HydrophobicContact CG2-CG 4.16Å; I166-R168 PolarHBondContact O-N 3.36Å; I166-S174 WeakPolarHBondContact CG2-OG 3.39Å |
| 167 | L | 93.7 | Very high | 92.3 | Very high | 54 Ų | 54 | 69.2 Ų | 69.2 | 28% | 0.283 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 109.3 | 167.2 | -104.5 | 58.2 | 0 | 0 | 0 | 108.6 | R175 V177 F179 | L167-R175 VanDerWaalsContact O-CB 3.25Å; L167-R175 WeakPolarHBondContact O-CB 3.36Å; L167-R175 WeakPolarHBondContact O-CG 3.2Å; L167-R175 PolarHBondContact O-N 3.38Å; L167-V177 HydrophobicContact CB-CB 4.2Å; L167-V177 HydrophobicContact CB-CG1 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.16Å; L167-V177 PolarHBondContact N-O 2.82Å; L167-F179 HydrophobicContact CD1-CD2 3.7Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CD2-CE2 3.99Å; L167-F179 HydrophobicContact CG-CE2 4.41Å |
| 168 | R | 94 | Very high | 92.4 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 152.3 | 171 | -56.7 | 179.2 | -164.4 | -102.9 | -1.4 | 109.3 | D147 E148 I166 G172 T173 | D147-R168 IonicContact OD1-CZ 3.74Å; D147-R168 VanDerWaalsContact OD1-CZ 3.27Å; D147-R168 IonicContact OD1-NH1 3.99Å; D147-R168 PolarHBondContact OD1-NH1 3.06Å; D147-R168 IonicContact OD1-NH2 2.68Å; D147-R168 PolarHBondContact OD1-NH2 3.09Å; E148-R168 IonicContact OE1-NH2 2.9Å; E148-R168 IonicContact OE2-CZ 3.21Å; E148-R168 IonicContact OE2-NH2 2.98Å; E148-R168 PolarHBondContact OE2-NH2 3.21Å; I166-R168 HydrophobicContact CG2-CG 4.16Å; I166-R168 PolarHBondContact O-N 3.36Å; R168-G172 WeakPolarHBondContact CD-O 3.2Å; R168-T173 CarbonylContact C-O 3.58Å; R168-T173 WeakPolarHBondContact CA-O 3.15Å |
| 169 | D | 92.4 | Very high | 92.6 | Very high | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.444 | 34% | 0.341 | S | S | . | . | trans | -84.9 | 179.4 | 176.2 | -160.7 | 28.8 | 0 | 0 | 0 | 111.8 | S171 G172 T173 R175 | D169-S171 PolarHBondContact O-N 3.13Å; D169-S171 VanDerWaalsContact O-N 3.12Å; D169-G172 PolarHBondContact O-N 3.34Å; D169-T173 PolarHBondContact N-O 3.3Å; D169-R175 HydrophobicContact CB-CG 4.07Å | ||
| 170 | T | 92.1 | Very high | 92.8 | Very high | 144 Ų | 144 | 64 Ų | 64 | 88% | 0.883 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -20.3 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 114.1 | G172 | T170-G172 VanDerWaalsContact C-N 3.31Š|
| 171 | S | 89.6 | Confident | 92.7 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 57% | 0.566 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.9 | 171.6 | 58.3 | 0 | 0 | 0 | 0 | 114.4 | D169 T173 | D169-S171 PolarHBondContact O-N 3.13Å; D169-S171 VanDerWaalsContact O-N 3.12Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 WeakPolarHBondContact OG-CB 3.36Å; S171-T173 PolarHBondContact OG-N 2.73Å; S171-T173 PolarHBondContact OG-OG1 2.93Å |
| 172 | G | 86.9 | Confident | 92.7 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 80.2 | -8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | R168 D169 T170 | R168-G172 WeakPolarHBondContact CD-O 3.2Å; D169-G172 PolarHBondContact O-N 3.34Å; T170-G172 VanDerWaalsContact C-N 3.31Å |
| 173 | T | 89.3 | Confident | 92.7 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 47% | 0.466 | 31% | 0.308 | S | S | . | . | trans | -65 | 135 | 177.5 | -44.2 | 0 | 0 | 0 | 0 | 110.9 | R168 D169 S171 | R168-T173 CarbonylContact C-O 3.58Å; R168-T173 WeakPolarHBondContact CA-O 3.15Å; D169-T173 PolarHBondContact N-O 3.3Å; S171-T173 PolarHBondContact O-N 3.24Å; S171-T173 WeakPolarHBondContact OG-CB 3.36Å; S171-T173 PolarHBondContact OG-N 2.73Å; S171-T173 PolarHBondContact OG-OG1 2.93Å | ||
| 174 | S | 91.8 | Very high | 92.6 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 144.9 | 172 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | L144 I166 G176 | L144-S174 WeakPolarHBondContact CD2-O 3.27Å; L144-S174 WeakPolarHBondContact O-CB 3.47Å; I166-S174 WeakPolarHBondContact CG2-OG 3.39Å; S174-G176 PolarHBondContact OG-N 3.09Å |
| 175 | R | 91.5 | Very high | 92.4 | Very high | 151 Ų | 151 | 59.4 Ų | 59.4 | 57% | 0.57 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 10.1 | 175.2 | -60.5 | -180 | 56.5 | 170.3 | 0.3 | 113 | L167 D169 V177 | L167-R175 VanDerWaalsContact O-CB 3.25Å; L167-R175 WeakPolarHBondContact O-CB 3.36Å; L167-R175 WeakPolarHBondContact O-CG 3.2Å; L167-R175 PolarHBondContact O-N 3.38Å; D169-R175 HydrophobicContact CB-CG 4.07Å; R175-V177 PolarHBondContact O-N 2.91Å |
| 176 | G | 90.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.5 | 25 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S140 N141 L142 S174 | S140-G176 CarbonylContact C-O 3.45Å; S140-G176 WeakPolarHBondContact CA-O 3.31Å; N141-G176 PolarHBondContact N-O 2.9Å; L142-G176 PolarHBondContact N-O 3.01Å; L142-G176 WeakPolarHBondContact O-CA 3.27Å; S174-G176 PolarHBondContact OG-N 3.09Å |
| 177 | V | 93.6 | Very high | 92.3 | Very high | 20 Ų | 20 | 60.8 Ų | 60.8 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.2 | -178.7 | 176.1 | 0 | 0 | 0 | 0 | 108.9 | Y138 I139 L167 R175 F179 | Y138-V177 HydrophobicContact CD2-CG1 4.15Å; Y138-V177 HydrophobicContact CE2-CG1 3.5Å; I139-V177 CarbonylContact O-C 3.54Å; I139-V177 WeakPolarHBondContact O-CA 3.42Å; L167-V177 HydrophobicContact CB-CB 4.2Å; L167-V177 HydrophobicContact CB-CG1 4.38Å; L167-V177 HydrophobicContact CD2-CG1 4.16Å; L167-V177 PolarHBondContact N-O 2.82Å; R175-V177 PolarHBondContact O-N 2.91Å; V177-F179 HydrophobicContact CG1-CE2 4.44Å |
| 178 | G | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 158.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I139 R165 | I139-G178 PolarHBondContact N-O 3.19Å; I139-G178 PolarHBondContact O-N 2.74Å; I139-G178 VanDerWaalsContact O-O 3.13Å; R165-G178 CarbonylContact O-C 3.52Å; R165-G178 VanDerWaalsContact O-CA 3.25Å; R165-G178 WeakPolarHBondContact O-CA 3.27Å |
| 179 | F | 94.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 25% | 0.254 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146 | 167.3 | -67.8 | -92.1 | 0 | 0 | 0 | 109.3 | L137 Y138 T164 R165 L167 V177 A218 | L137-F179 VanDerWaalsContact O-CA 3.22Å; L137-F179 WeakPolarHBondContact O-CA 3.47Å; Y138-F179 AromaticContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE1 3.78Å; Y138-F179 HydrophobicContact CD2-CE2 4.43Å; Y138-F179 AromaticContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CD2-CZ 3.72Å; Y138-F179 HydrophobicContact CE2-CZ 4.34Å; Y138-F179 HydrophobicContact CG-CE1 4.47Å; T164-F179 CarbonylContact C-O 3.48Å; T164-F179 WeakPolarHBondContact CA-O 3.46Å; R165-F179 PolarHBondContact N-O 3.13Å; R165-F179 PolarHBondContact O-N 2.78Å; L167-F179 HydrophobicContact CD1-CD2 3.7Å; L167-F179 HydrophobicContact CD1-CE2 3.54Å; L167-F179 HydrophobicContact CD2-CE2 3.99Å; L167-F179 HydrophobicContact CG-CE2 4.41Å; V177-F179 HydrophobicContact CG1-CE2 4.44Å; F179-A218 HydrophobicContact CD1-CB 3.69Å; F179-A218 HydrophobicContact CE1-CB 3.74Å |
| 180 | A | 94.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 125.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L137 I139 L155 S163 T164 | L137-A180 WeakPolarHBondContact CB-O 3.33Å; L137-A180 PolarHBondContact N-O 2.91Å; L137-A180 PolarHBondContact O-N 3.08Å; I139-A180 HydrophobicContact CD1-CB 4.41Å; L155-A180 HydrophobicContact CD1-CB 3.34Å; S163-A180 CarbonylContact O-C 3.59Å; S163-A180 VanDerWaalsContact O-CA 3.3Å; S163-A180 WeakPolarHBondContact O-CA 3.49Å; T164-A180 HydrophobicContact CG2-CB 4.23Å |
| 181 | R | 93.2 | Very high | 92.3 | Very high | 80 Ų | 80 | 49.9 Ų | 49.9 | 30% | 0.302 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.8 | 173.6 | -169.1 | -168.6 | -77.2 | 149.6 | -13.2 | 109.3 | D133 T135 I162 S163 | D133-R181 IonicContact OD1-CZ 2.73Å; D133-R181 IonicContact OD1-NE 2.74Å; D133-R181 PolarHBondContact OD1-NE 2.78Å; D133-R181 IonicContact OD1-NH2 3.3Å; D133-R181 PolarHBondContact OD1-NH2 2.71Å; D133-R181 IonicContact OD2-CZ 3.7Å; D133-R181 IonicContact OD2-NE 2.71Å; D133-R181 PolarHBondContact OD2-NE 3.11Å; D133-R181 IonicContact OD2-NH2 2.78Å; D133-R181 PolarHBondContact OD2-NH2 2.91Å; T135-R181 WeakPolarHBondContact O-CA 3.38Å; T135-R181 VanDerWaalsContact OG1-CG 3.31Å; T135-R181 WeakPolarHBondContact OG1-CG 3.4Å; I162-R181 HydrophobicContact CB-CB 4.26Å; I162-R181 HydrophobicContact CB-CG 4.28Å; I162-R181 WeakPolarHBondContact CB-O 3.37Å; I162-R181 HydrophobicContact CD1-CG 4.29Å; I162-R181 PolarHBondContact N-O 3.35Å; S163-R181 PolarHBondContact N-O 2.69Å; S163-R181 PolarHBondContact O-N 2.9Å |
| 182 | M | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 167.4 | 178.1 | -57.7 | -56.1 | -57 | 0 | 0 | 112.2 | T135 L137 L155 Q160 V161 I162 K187 I191 | T135-M182 WeakPolarHBondContact CB-O 3.18Å; T135-M182 PolarHBondContact O-N 3.04Å; T135-M182 PolarHBondContact OG1-O 2.64Å; L137-M182 HydrophobicContact CD1-CG 3.95Å; L155-M182 HydrophobicContact CB-SD 4.41Å; L155-M182 HydrophobicContact CD1-SD 4.4Å; Q160-M182 WeakPolarHBondContact O-CE 3.48Å; V161-M182 HydrophobicContact CB-SD 4.48Å; V161-M182 HydrophobicContact CG1-SD 4.49Å; V161-M182 HydrophobicContact CG2-CE 3.93Å; V161-M182 HydrophobicContact CG2-SD 4Å; I162-M182 VanDerWaalsContact CD1-O 3.27Å; I162-M182 WeakPolarHBondContact CD1-O 3.46Å; M182-K187 HydrophobicContact CB-CB 4.28Å; M182-K187 HydrophobicContact CE-CB 4.43Å; M182-I191 HydrophobicContact CE-CD1 3.58Å; M182-I191 HydrophobicContact CG-CD1 3.84Å; M182-I191 HydrophobicContact SD-CD1 3.57Å; M182-I191 VanDerWaalsContact SD-CD1 3.57Å |
| 183 | E | 92.5 | Very high | 92.8 | Very high | 86 Ų | 86 | 51.1 Ų | 51.1 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -61.5 | -35 | 172.1 | 66.6 | -169.4 | 153.9 | 0 | 0 | 115 | G159 Q160 K187 | G159-E183 WeakPolarHBondContact CA-OE1 3.41Å; Q160-E183 HydrophobicContact CB-CB 4.27Å; Q160-E183 HydrophobicContact CB-CG 4.48Å; Q160-E183 WeakPolarHBondContact CB-OE2 3.04Å; Q160-E183 PolarHBondContact N-OE1 3.04Å; Q160-E183 PolarHBondContact O-N 3.06Å; E183-K187 HydrophobicContact CG-CG 3.82Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.43Å |
| 184 | S | 90.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 51.1 Ų | 51.1 | 19% | 0.189 | 25% | 0.254 | C | S | . | . | trans | -147.1 | 151.9 | -175 | 162.8 | 0 | 0 | 0 | 0 | 111.4 | E186 K187 C188 | S184-E186 PolarHBondContact O-N 3.13Å; S184-E186 PolarHBondContact OG-N 2.86Å; S184-E186 VanDerWaalsContact OG-N 3.14Å; S184-E186 PolarHBondContact OG-OE2 3.15Å; S184-K187 WeakPolarHBondContact O-CB 3.39Å; S184-K187 PolarHBondContact O-N 3.36Å; S184-C188 PolarHBondContact O-N 2.96Å | ||
| 185 | T | 91.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 52 Ų | 52 | 33% | 0.331 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -35.2 | 172.9 | 40.8 | 0 | 0 | 0 | 0 | 112.4 | P134 T135 K187 C188 E189 | P134-T185 HydrophobicContact CB-CG2 3.61Å; P134-T185 HydrophobicContact CG-CG2 3.97Å; T135-T185 HydrophobicContact CG2-CG2 4.23Å; T185-K187 PolarHBondContact O-N 3.49Å; T185-C188 WeakPolarHBondContact O-CA 3.33Å; T185-C188 VanDerWaalsContact O-CB 3.26Å; T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 2.81Å; T185-E189 PolarHBondContact O-N 3.37Å |
| 186 | E | 92.7 | Very high | 92.9 | Very high | 135 Ų | 135 | 48.3 Ų | 48.3 | 63% | 0.631 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.5 | -35.3 | 179.9 | -57.3 | 152.5 | 150 | 0 | 0 | 110.7 | S184 E189 A190 | S184-E186 PolarHBondContact O-N 3.13Å; S184-E186 PolarHBondContact OG-N 2.86Å; S184-E186 VanDerWaalsContact OG-N 3.14Å; S184-E186 PolarHBondContact OG-OE2 3.15Å; E186-E189 PolarHBondContact O-N 2.95Å; E186-A190 PolarHBondContact O-N 2.79Å |
| 187 | K | 94.1 | Very high | 92.8 | Very high | 69 Ų | 69 | 50.5 Ų | 50.5 | 30% | 0.3 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 174.4 | -53.9 | -54.3 | -163.1 | 144.8 | 0 | 111.2 | F158 M182 E183 S184 T185 A190 I191 | F158-K187 WeakPolarHBondContact O-CD 3.49Å; F158-K187 PolarHBondContact O-NZ 2.83Å; M182-K187 HydrophobicContact CB-CB 4.28Å; M182-K187 HydrophobicContact CE-CB 4.43Å; E183-K187 HydrophobicContact CG-CG 3.82Å; E183-K187 WeakPolarHBondContact OE1-CE 3.48Å; E183-K187 IonicContact OE1-NZ 3.43Å; S184-K187 WeakPolarHBondContact O-CB 3.39Å; S184-K187 PolarHBondContact O-N 3.36Å; T185-K187 PolarHBondContact O-N 3.49Å; K187-A190 PolarHBondContact O-N 2.82Å; K187-I191 WeakPolarHBondContact O-CB 3.45Å; K187-I191 WeakPolarHBondContact O-CD1 3.49Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.4Å |
| 188 | C | 92.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 172.6 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | T135 L137 S184 T185 I191 I192 F217 | T135-C188 VanDerWaalsContact CA-SG 3.5Å; T135-C188 PolarHBondContact O-SG 3.23Å; L137-C188 HydrophobicContact CD1-CB 4.5Å; L137-C188 HydrophobicContact CD2-CB 3.67Å; L137-C188 HydrophobicContact CG-CB 4.1Å; S184-C188 PolarHBondContact O-N 2.96Å; T185-C188 WeakPolarHBondContact O-CA 3.33Å; T185-C188 VanDerWaalsContact O-CB 3.26Å; T185-C188 WeakPolarHBondContact O-CB 3.45Å; T185-C188 PolarHBondContact O-N 2.81Å; C188-I191 PolarHBondContact O-N 2.83Å; C188-I192 WeakPolarHBondContact O-CB 3.41Å; C188-I192 WeakPolarHBondContact O-CD1 3.46Å; C188-I192 WeakPolarHBondContact O-CG1 3.37Å; C188-I192 PolarHBondContact O-N 3.04Å; C188-F217 HydrophobicContact CB-CD1 4.33Å; C188-F217 HydrophobicContact CB-CE1 3.5Å; C188-F217 VanDerWaalsContact CB-CE1 3.5Å; C188-F217 HydrophobicContact CB-CZ 3.94Å |
| 189 | E | 93.1 | Very high | 92.1 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 177.9 | -66.9 | -178.7 | 173.2 | 0 | 0 | 112.2 | T185 E186 I192 T193 F217 | T185-E189 PolarHBondContact O-N 3.37Å; E186-E189 PolarHBondContact O-N 2.95Å; E189-I192 PolarHBondContact O-N 3.06Å; E189-T193 VanDerWaalsContact O-CB 3.3Å; E189-T193 WeakPolarHBondContact O-CB 3.44Å; E189-T193 PolarHBondContact O-N 3.06Å; E189-T193 PolarHBondContact O-OG1 2.91Å; E189-F217 HydrophobicContact CG-CE2 4.22Å; E189-F217 HydrophobicContact CG-CZ 3.8Å |
| 190 | A | 94 | Very high | 91.5 | Very high | 43 Ų | 43 | 59.7 Ų | 59.7 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -44 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F158 E186 K187 T193 H194 | F158-A190 HydrophobicContact CD1-CB 4.39Å; E186-A190 PolarHBondContact O-N 2.79Å; K187-A190 PolarHBondContact O-N 2.82Å; A190-T193 PolarHBondContact O-N 3.2Å; A190-H194 VanDerWaalsContact O-CB 3.24Å; A190-H194 WeakPolarHBondContact O-CB 3.48Å; A190-H194 PolarHBondContact O-N 3.43Å |
| 191 | I | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 176.8 | -74.1 | 160.8 | 0 | 0 | 0 | 111.4 | L137 L155 F158 M182 K187 C188 H194 F195 | L137-I191 HydrophobicContact CD1-CB 4.05Å; L137-I191 HydrophobicContact CD1-CD1 4Å; L137-I191 HydrophobicContact CD1-CG2 3.57Å; L155-I191 HydrophobicContact CB-CD1 4.43Å; L155-I191 HydrophobicContact CD2-CD1 4.06Å; L155-I191 HydrophobicContact CD2-CG1 4.19Å; L155-I191 HydrophobicContact CD2-CG2 3.57Å; F158-I191 HydrophobicContact CB-CD1 3.94Å; F158-I191 HydrophobicContact CB-CG1 3.6Å; F158-I191 HydrophobicContact CD1-CG1 4.15Å; F158-I191 HydrophobicContact CD2-CG1 4.14Å; F158-I191 HydrophobicContact CG-CD1 4.48Å; F158-I191 HydrophobicContact CG-CG1 3.66Å; M182-I191 HydrophobicContact CE-CD1 3.58Å; M182-I191 HydrophobicContact CG-CD1 3.84Å; M182-I191 HydrophobicContact SD-CD1 3.57Å; M182-I191 VanDerWaalsContact SD-CD1 3.57Å; K187-I191 WeakPolarHBondContact O-CB 3.45Å; K187-I191 WeakPolarHBondContact O-CD1 3.49Å; K187-I191 VanDerWaalsContact O-CG1 3.26Å; K187-I191 WeakPolarHBondContact O-CG1 3.45Å; K187-I191 PolarHBondContact O-N 3.4Å; C188-I191 PolarHBondContact O-N 2.83Å; I191-H194 PolarHBondContact O-N 2.89Å; I191-F195 HydrophobicContact CG2-CD2 4.03Å; I191-F195 PolarHBondContact O-N 3.07Å |
| 192 | I | 93.3 | Very high | 89.3 | Confident | 31 Ų | 31 | 67.4 Ų | 67.4 | 16% | 0.159 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -52.7 | 175.5 | -72 | 164 | 0 | 0 | 0 | 109.3 | L137 C188 E189 H194 N196 C215 F217 | L137-I192 HydrophobicContact CD2-CD1 3.67Å; L137-I192 HydrophobicContact CD2-CG1 3.68Å; C188-I192 WeakPolarHBondContact O-CB 3.41Å; C188-I192 WeakPolarHBondContact O-CD1 3.46Å; C188-I192 WeakPolarHBondContact O-CG1 3.37Å; C188-I192 PolarHBondContact O-N 3.04Å; E189-I192 PolarHBondContact O-N 3.06Å; I192-H194 VanDerWaalsContact C-N 3.26Å; I192-H194 PolarHBondContact O-N 2.93Å; I192-N196 HydrophobicContact CG2-CB 4.46Å; I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.38Å; I192-C215 HydrophobicContact CG1-CB 4.33Å; I192-F217 HydrophobicContact CD1-CD2 3.73Å; I192-F217 HydrophobicContact CD1-CE1 4.49Å; I192-F217 HydrophobicContact CD1-CE2 3.65Å; I192-F217 HydrophobicContact CD1-CG 4.21Å; I192-F217 HydrophobicContact CD1-CZ 4.06Å |
| 193 | T | 92.9 | Very high | 88 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 72% | 0.724 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -61.9 | -34 | -179.9 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | E189 A190 | E189-T193 VanDerWaalsContact O-CB 3.3Å; E189-T193 WeakPolarHBondContact O-CB 3.44Å; E189-T193 PolarHBondContact O-N 3.06Å; E189-T193 PolarHBondContact O-OG1 2.91Å; A190-T193 PolarHBondContact O-N 3.2Å |
| 194 | H | 90.7 | Very high | 86.3 | Confident | 77 Ų | 77 | 72.8 Ų | 72.8 | 36% | 0.356 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -81.5 | -39.4 | -178.7 | -173.8 | -92.6 | 0 | 0 | 0 | 114 | F158 A190 I191 I192 K198 | F158-H194 HydrophobicContact CE1-CB 3.61Å; F158-H194 AromaticContact CE1-CG 3.68Å; F158-H194 HydrophobicContact CZ-CB 3.83Å; F158-H194 AromaticContact CZ-CE1 3.99Å; F158-H194 AromaticContact CZ-CG 3.43Å; F158-H194 VanDerWaalsContact CZ-CG 3.43Å; F158-H194 AromaticContact CZ-ND1 3.37Å; F158-H194 WeakPolarHBondContact CZ-ND1 3.39Å; A190-H194 VanDerWaalsContact O-CB 3.24Å; A190-H194 WeakPolarHBondContact O-CB 3.48Å; A190-H194 PolarHBondContact O-N 3.43Å; I191-H194 PolarHBondContact O-N 2.89Å; I192-H194 VanDerWaalsContact C-N 3.26Å; I192-H194 PolarHBondContact O-N 2.93Å; H194-K198 PolarHBondContact CD2-NZ 3.24Å; H194-K198 VanDerWaalsContact CD2-NZ 3.26Å; H194-K198 PolarHBondContact NE2-NZ 3.38Å; H194-K198 WeakPolarHBondContact O-CD 3.17Å; H194-K198 WeakPolarHBondContact O-CE 3.19Å; H194-K198 PolarHBondContact O-NZ 2.91Å |
| 195 | F | 91.1 | Very high | 85 | Confident | 27 Ų | 27 | 75.6 Ų | 75.6 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -104.7 | -25.7 | -172 | -72.3 | -79.9 | 0 | 0 | 0 | 114.7 | M154 L155 F158 I191 G197 K198 L213 | M154-F195 HydrophobicContact CG-CD1 4.45Å; M154-F195 HydrophobicContact CG-CE1 3.56Å; M154-F195 HydrophobicContact CG-CE2 4.35Å; M154-F195 HydrophobicContact CG-CZ 3.49Å; M154-F195 VanDerWaalsContact CG-CZ 3.49Å; M154-F195 WeakPolarHBondContact O-CZ 3.24Å; M154-F195 HydrophobicContact SD-CD1 4.15Å; M154-F195 HydrophobicContact SD-CE1 3.73Å; M154-F195 HydrophobicContact SD-CZ 4.25Å; L155-F195 HydrophobicContact CD2-CE2 4.31Å; F158-F195 AromaticContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CD2-CE2 3.89Å; F158-F195 HydrophobicContact CE2-CD2 4.39Å; F158-F195 AromaticContact CE2-CE2 3.32Å; F158-F195 HydrophobicContact CE2-CE2 3.32Å; F158-F195 AromaticContact CE2-CZ 3.73Å; F158-F195 HydrophobicContact CE2-CZ 3.73Å; F158-F195 AromaticContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CE2 3.8Å; F158-F195 HydrophobicContact CZ-CZ 4.3Å; I191-F195 HydrophobicContact CG2-CD2 4.03Å; I191-F195 PolarHBondContact O-N 3.07Å; F195-G197 PolarHBondContact O-N 3.21Å; F195-K198 PolarHBondContact O-N 3.34Å; F195-L213 HydrophobicContact CB-CD1 4.34Å; F195-L213 HydrophobicContact CD1-CD1 4.06Å |
| 196 | N | 92.9 | Very high | 84.1 | Confident | 74 Ų | 74 | 74.9 Ų | 74.9 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 125 | -179 | -172.6 | 64.4 | 0 | 0 | 0 | 110.8 | I192 K198 L213 L214 C215 | I192-N196 HydrophobicContact CG2-CB 4.46Å; I192-N196 WeakPolarHBondContact O-CB 3.47Å; I192-N196 PolarHBondContact O-N 3.38Å; N196-K198 VanDerWaalsContact C-N 3.35Å; N196-L213 WeakPolarHBondContact CA-O 3.44Å; N196-L214 WeakPolarHBondContact OD1-CA 3.41Å; N196-L214 WeakPolarHBondContact OD1-CD1 3.32Å; N196-C215 HydrophobicContact CB-CB 4.09Å; N196-C215 PolarHBondContact OD1-N 3.46Å; N196-C215 PolarHBondContact OD1-O 3.35Å |
| 197 | G | 89.6 | Confident | 83 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 52% | 0.515 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 5.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F195 P212 L213 | F195-G197 PolarHBondContact O-N 3.21Å; G197-P212 VanDerWaalsContact C-CB 3.46Å; G197-P212 WeakPolarHBondContact O-CB 3.22Å; G197-L213 PolarHBondContact N-O 3.27Å |
| 198 | K | 87.9 | Confident | 81.7 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -103.5 | 145.9 | 174 | -65.9 | -166.7 | -171.9 | 152.1 | 0 | 112.6 | H194 F195 N196 L213 | H194-K198 PolarHBondContact CD2-NZ 3.24Å; H194-K198 VanDerWaalsContact CD2-NZ 3.26Å; H194-K198 PolarHBondContact NE2-NZ 3.38Å; H194-K198 WeakPolarHBondContact O-CD 3.17Å; H194-K198 WeakPolarHBondContact O-CE 3.19Å; H194-K198 PolarHBondContact O-NZ 2.91Å; F195-K198 PolarHBondContact O-N 3.34Å; N196-K198 VanDerWaalsContact C-N 3.35Å; K198-L213 WeakPolarHBondContact O-CB 3.45Å; K198-L213 WeakPolarHBondContact O-CG 3.32Å; K198-L213 PolarHBondContact O-N 3.4Å |
| 199 | Y | 85.4 | Confident | 80.7 | Confident | 150 Ų | 150 | 74.8 Ų | 74.8 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 137.8 | 168.3 | -73.1 | -86.2 | 0 | 0 | 0 | 111.1 | S210 P212 | Y199-S210 VanDerWaalsContact CE1-O 3.29Å; Y199-S210 WeakPolarHBondContact CE1-O 2.91Å; Y199-S210 PolarHBondContact OH-O 2.94Å; Y199-P212 HydrophobicContact CD2-CB 4.4Å; Y199-P212 HydrophobicContact CE2-CB 4.22Å |
| 200 | I | 82.1 | Confident | 79.7 | Confident | 26 Ų | 26 | 74.1 Ų | 74.1 | 13% | 0.133 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 144.8 | 173.6 | -165.4 | 169 | 0 | 0 | 0 | 110.7 | L142 P143 M146 M154 T202 P209 L213 | L142-I200 HydrophobicContact CD2-CD1 4.47Å; P143-I200 HydrophobicContact CG-CD1 4.2Å; P143-I200 HydrophobicContact CG-CG2 3.72Å; M146-I200 HydrophobicContact CE-CD1 3.73Å; M146-I200 HydrophobicContact SD-CD1 3.44Å; M146-I200 WeakPolarHBondContact SD-CD1 3.48Å; M154-I200 HydrophobicContact CE-CD1 4.27Å; M154-I200 HydrophobicContact SD-CD1 3.7Å; M154-I200 HydrophobicContact SD-CG1 4.1Å; I200-T202 HydrophobicContact CG2-CG2 4.32Å; I200-T202 PolarHBondContact O-N 3.31Å; I200-P209 HydrophobicContact CG2-CG 4.1Å; I200-L213 HydrophobicContact CB-CD1 4.07Å; I200-L213 HydrophobicContact CB-CD2 4.23Å; I200-L213 HydrophobicContact CB-CG 4.2Å; I200-L213 HydrophobicContact CG1-CD1 4.48Å |
| 201 | K | 71.6 | Confident | 79.4 | Confident | 204 Ų | 204 | 75.7 Ų | 75.7 | 89% | 0.887 | 45% | 0.45 | S | S | * | . | trans | -85.7 | 104.6 | 171.4 | -64.3 | -176.1 | 178.9 | -176.1 | 0 | 108.8 | ||||
| 202 | T | 68.6 | Low | 79.2 | Confident | 38 Ų | 38 | 77.9 Ų | 77.9 | 23% | 0.233 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 155.4 | 172.6 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | P143 I200 V206 A208 | P143-T202 HydrophobicContact CB-CG2 4Å; P143-T202 HydrophobicContact CG-CG2 3.57Å; I200-T202 HydrophobicContact CG2-CG2 4.32Å; I200-T202 PolarHBondContact O-N 3.31Å; T202-V206 HydrophobicContact CG2-CB 4.45Å; T202-V206 HydrophobicContact CG2-CG1 3.82Å; T202-V206 PolarHBondContact OG1-O 3.46Å; T202-A208 HydrophobicContact CG2-CB 4.41Å |
| 203 | P | 67.1 | Low | 79.2 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 152 | 168 | -22.5 | 34.1 | 0 | 0 | 0 | 112 | G205 V206 | P203-G205 PolarHBondContact O-N 3.18Å; P203-V206 HydrophobicContact CB-CG2 4.47Å; P203-V206 PolarHBondContact O-N 3.44Å; P203-V206 VanDerWaalsContact O-N 3.12Å |
| 204 | P | 57.6 | Low | 79.2 | Confident | 139 Ų | 139 | 74 Ų | 74 | 90% | 0.903 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 126.1 | 174.2 | -24.6 | 34.5 | 0 | 0 | 0 | 111.7 | ||
| 205 | G | 64.4 | Low | 79.3 | Confident | 85 Ų | 85 | 70.5 Ų | 70.5 | 88% | 0.876 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -13 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | P203 | P203-G205 PolarHBondContact O-N 3.18Š|
| 206 | V | 72.3 | Confident | 79.3 | Confident | 39 Ų | 39 | 73.5 Ų | 73.5 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -89.7 | 128.4 | 173 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | P143 S145 T202 P203 A208 | P143-V206 HydrophobicContact CB-CG1 4.4Å; S145-V206 VanDerWaalsContact OG-CG1 3.22Å; S145-V206 WeakPolarHBondContact OG-CG1 3.35Å; T202-V206 HydrophobicContact CG2-CB 4.45Å; T202-V206 HydrophobicContact CG2-CG1 3.82Å; T202-V206 PolarHBondContact OG1-O 3.46Å; P203-V206 HydrophobicContact CB-CG2 4.47Å; P203-V206 PolarHBondContact O-N 3.44Å; P203-V206 VanDerWaalsContact O-N 3.12Å; V206-A208 PolarHBondContact O-N 2.89Å |
| 207 | P | 67.9 | Low | 79.3 | Confident | 113 Ų | 113 | 72.8 Ų | 72.8 | 73% | 0.734 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 120.2 | 174.9 | 26.5 | -33.6 | 0 | 0 | 0 | 110.5 | ||
| 208 | A | 67.3 | Low | 79.1 | Confident | 64 Ų | 64 | 71.7 Ų | 71.7 | 53% | 0.529 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -68 | 143.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | T202 V206 | T202-A208 HydrophobicContact CG2-CB 4.41Å; V206-A208 PolarHBondContact O-N 2.89Å |
| 209 | P | 70.7 | Confident | 78.4 | Confident | 26 Ų | 26 | 69.8 Ų | 69.8 | 17% | 0.169 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -55 | 137.6 | 169.5 | -25.7 | 35.1 | 0 | 0 | 0 | 112.1 | N141 P143 I200 D211 | N141-P209 WeakPolarHBondContact O-CB 3.27Å; N141-P209 VanDerWaalsContact O-CG 3.31Å; N141-P209 WeakPolarHBondContact O-CG 3.35Å; P143-P209 HydrophobicContact CB-CG 4.39Å; P143-P209 HydrophobicContact CG-CG 4.07Å; I200-P209 HydrophobicContact CG2-CG 4.1Å; P209-D211 PolarHBondContact O-N 3.33Å |
| 210 | S | 74 | Confident | 77 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 67% | 0.671 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -64.4 | -25.5 | 172.5 | 52.3 | 0 | 0 | 0 | 0 | 113 | Y199 | Y199-S210 VanDerWaalsContact CE1-O 3.29Å; Y199-S210 WeakPolarHBondContact CE1-O 2.91Å; Y199-S210 PolarHBondContact OH-O 2.94Å |
| 211 | D | 86.6 | Confident | 75.5 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 40% | 0.401 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -108.5 | 146.5 | -171.3 | -50.2 | -11.2 | 0 | 0 | 0 | 109.7 | N141 P209 | N141-D211 HydrophobicContact CB-CB 4.17Å; N141-D211 WeakPolarHBondContact ND2-CB 3.49Å; N141-D211 PolarHBondContact ND2-OD2 2.96Å; P209-D211 PolarHBondContact O-N 3.33Å |
| 212 | P | 90.2 | Very high | 74.4 | Confident | 47 Ų | 47 | 61.6 Ų | 61.6 | 31% | 0.305 | 41% | 0.412 | S | S | . | . | trans | -68 | 156.8 | 171.2 | 30.3 | -35 | 0 | 0 | 0 | 111.7 | N141 G197 Y199 L214 | N141-P212 WeakPolarHBondContact CB-O 3.46Å; G197-P212 VanDerWaalsContact C-CB 3.46Å; G197-P212 WeakPolarHBondContact O-CB 3.22Å; Y199-P212 HydrophobicContact CD2-CB 4.4Å; Y199-P212 HydrophobicContact CE2-CB 4.22Å; P212-L214 PolarHBondContact O-N 3.03Å | ||
| 213 | L | 92.6 | Very high | 73.5 | Confident | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 44% | 0.435 | C | S | . | . | trans | -58.9 | 134.6 | 175 | -65.7 | 178.6 | 0 | 0 | 0 | 111.5 | L142 M154 F195 N196 G197 K198 I200 | L142-L213 HydrophobicContact CD2-CD2 3.79Å; L142-L213 HydrophobicContact CG-CD2 4.47Å; M154-L213 HydrophobicContact CE-CD1 4.32Å; M154-L213 HydrophobicContact SD-CD1 4.27Å; F195-L213 HydrophobicContact CB-CD1 4.34Å; F195-L213 HydrophobicContact CD1-CD1 4.06Å; N196-L213 WeakPolarHBondContact CA-O 3.44Å; G197-L213 PolarHBondContact N-O 3.27Å; K198-L213 WeakPolarHBondContact O-CB 3.45Å; K198-L213 WeakPolarHBondContact O-CG 3.32Å; K198-L213 PolarHBondContact O-N 3.4Å; I200-L213 HydrophobicContact CB-CD1 4.07Å; I200-L213 HydrophobicContact CB-CD2 4.23Å; I200-L213 HydrophobicContact CB-CG 4.2Å; I200-L213 HydrophobicContact CG1-CD1 4.48Å | ||
| 214 | L | 91.8 | Very high | 72.5 | Confident | 63 Ų | 63 | 74.2 Ų | 74.2 | 33% | 0.33 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 105.1 | 170.9 | 172.2 | 61.8 | 0 | 0 | 0 | 109.3 | I139 S140 N196 P212 | I139-L214 CarbonylContact C-O 3.59Å; I139-L214 WeakPolarHBondContact CA-O 3.41Å; S140-L214 PolarHBondContact N-O 3.41Å; S140-L214 PolarHBondContact O-N 3.46Å; S140-L214 WeakPolarHBondContact OG-CB 3.44Å; N196-L214 WeakPolarHBondContact OD1-CA 3.41Å; N196-L214 WeakPolarHBondContact OD1-CD1 3.32Å; P212-L214 PolarHBondContact O-N 3.03Å |
| 215 | C | 93.3 | Very high | 72.1 | Confident | 3 Ų | 3 | 74.3 Ų | 74.3 | 2% | 0.02 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 128.5 | 178.4 | -63.8 | 0 | 0 | 0 | 0 | 110.4 | I192 N196 | I192-C215 HydrophobicContact CG1-CB 4.33Å; N196-C215 HydrophobicContact CB-CB 4.09Å; N196-C215 PolarHBondContact OD1-N 3.46Å; N196-C215 PolarHBondContact OD1-O 3.35Å |
| 216 | K | 92.4 | Very high | 71 | Confident | 90 Ų | 90 | 78.8 Ų | 78.8 | 39% | 0.391 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 171 | 178.6 | 63 | -170.5 | 178.6 | -155.1 | 0 | 111.2 | L137 Y138 | L137-K216 CarbonylContact C-O 3.59Å; L137-K216 WeakPolarHBondContact CA-O 3.41Å; Y138-K216 HydrophobicContact CD1-CD 4.27Å; Y138-K216 HydrophobicContact CD1-CG 4.02Å; Y138-K216 PolarHBondContact N-O 3.28Å; Y138-K216 PolarHBondContact O-N 2.9Å; Y138-K216 VanDerWaalsContact O-O 3.1Å |
| 217 | F | 92.6 | Very high | 69.5 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 26% | 0.259 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 136.5 | 168.3 | -67.1 | -78.4 | 0 | 0 | 0 | 111.6 | P134 C188 E189 I192 | P134-F217 VanDerWaalsContact O-CD1 3.31Å; P134-F217 WeakPolarHBondContact O-CD1 3.49Å; P134-F217 WeakPolarHBondContact O-CE1 3.46Å; C188-F217 HydrophobicContact CB-CD1 4.33Å; C188-F217 HydrophobicContact CB-CE1 3.5Å; C188-F217 VanDerWaalsContact CB-CE1 3.5Å; C188-F217 HydrophobicContact CB-CZ 3.94Å; E189-F217 HydrophobicContact CG-CE2 4.22Å; E189-F217 HydrophobicContact CG-CZ 3.8Å; I192-F217 HydrophobicContact CD1-CD2 3.73Å; I192-F217 HydrophobicContact CD1-CE1 4.49Å; I192-F217 HydrophobicContact CD1-CE2 3.65Å; I192-F217 HydrophobicContact CD1-CG 4.21Å; I192-F217 HydrophobicContact CD1-CZ 4.06Å |
| 218 | A | 85.1 | Confident | 68.3 | Low | 27 Ų | 27 | 85.6 Ų | 85.6 | 22% | 0.223 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -70.9 | -57.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N136 F179 G220 | N136-A218 HydrophobicContact CB-CB 4.16Å; N136-A218 WeakPolarHBondContact O-CB 3.5Å; N136-A218 PolarHBondContact O-N 3.39Å; F179-A218 HydrophobicContact CD1-CB 3.69Å; F179-A218 HydrophobicContact CE1-CB 3.74Å; A218-G220 PolarHBondContact O-N 3.11Å |
| 219 | D | 71.9 | Confident | 67.5 | Low | 57 Ų | 57 | 85 Ų | 85 | 31% | 0.305 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -75.2 | 102.2 | 164.7 | -107.8 | -75.8 | 0 | 0 | 0 | 107.4 | Q132 G221 | Q132-D219 HydrophobicContact CG-CB 4.44Å; Q132-D219 PolarHBondContact NE2-OD1 3.03Å; D219-G221 PolarHBondContact O-N 3.37Å; D219-G221 VanDerWaalsContact O-N 3.07Å |
| 220 | G | 56.8 | Low | 66 | Low | 35 Ų | 35 | 92.4 Ų | 92.4 | 36% | 0.361 | 49% | 0.491 | S | S | . | . | trans | -50.1 | 118.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A218 | A218-G220 PolarHBondContact O-N 3.11Š| ||
| 221 | G | 50.3 | Low | 64.3 | Low | 46 Ų | 46 | 97.6 Ų | 97.6 | 47% | 0.474 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -46.5 | 154.7 | -155.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | D219 K223 | D219-G221 PolarHBondContact O-N 3.37Å; D219-G221 VanDerWaalsContact O-N 3.07Å; G221-K223 PolarHBondContact O-N 3.47Å |
| 222 | P | 48.5 | Very low | 62 | Low | 126 Ų | 126 | 99.6 Ų | 99.6 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | trans | -37.3 | 98.2 | -149.2 | 11.5 | -29.7 | 0 | 0 | 0 | 112.8 | K224 | P222-K224 PolarHBondContact O-N 2.85Š| ||
| 223 | K | 50.4 | Low | 59.6 | Low | 164 Ų | 164 | 105.5 Ų | 105.5 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | trans | -65.8 | 87.4 | 178.3 | -78.5 | 177.6 | -178.3 | 166.9 | 0 | 108.9 | G221 R225 | G221-K223 PolarHBondContact O-N 3.47Å; K223-R225 PolarHBondContact O-N 3.06Å | ||
| 224 | K | 45.6 | Very low | 56.9 | Low | 201 Ų | 201 | 112.6 Ų | 112.6 | 87% | 0.874 | 58% | 0.578 | S | S | * | * | trans | -46.1 | 101.5 | 170.7 | -166.1 | 175.7 | -169.9 | 175.8 | 0 | 106.8 | P222 Q226 | P222-K224 PolarHBondContact O-N 2.85Å; K224-Q226 VanDerWaalsContact C-N 3.29Å; K224-Q226 PolarHBondContact O-N 3.48Å | ||
| 225 | R | 49.3 | Very low | 54.6 | Low | 140 Ų | 140 | 113 Ų | 113 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | trans | -60.4 | 94.1 | -173.5 | -88.6 | 172.1 | 66.3 | -173.6 | 6.3 | 107.6 | D103 K223 N227 | D103-R225 IonicContact OD2-NH2 2.91Å; K223-R225 PolarHBondContact O-N 3.06Å; R225-N227 PolarHBondContact O-N 3.05Å | ||
| 226 | Q | 41.2 | Very low | 51.7 | Low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 64% | 0.64 | S | S | * | * | trans | -67.3 | 94.9 | 168.2 | -170.4 | 176.8 | 22.8 | 0 | 0 | 105.6 | K224 Q228 | K224-Q226 VanDerWaalsContact C-N 3.29Å; K224-Q226 PolarHBondContact O-N 3.48Å; Q226-Q228 PolarHBondContact O-N 3.02Å | ||
| 227 | N | 40.3 | Very low | 48.9 | Very low | 114 Ų | 114 | 125 Ų | 125 | 61% | 0.61 | 66% | 0.661 | S | S | * | * | trans | -65.4 | 104.3 | -167.1 | -172.4 | 17 | 0 | 0 | 0 | 109 | R225 G229 | R225-N227 PolarHBondContact O-N 3.05Å; N227-G229 PolarHBondContact O-N 2.93Å; N227-G229 PolarHBondContact OD1-N 3.43Å | ||
| 228 | Q | 43 | Very low | 46.2 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 69% | 0.694 | S | S | * | * | trans | -73.5 | 31.7 | 173.4 | -66.2 | -167.2 | 2.3 | 0 | 0 | 112.2 | Q226 K230 | Q226-Q228 PolarHBondContact O-N 3.02Å; Q228-K230 PolarHBondContact O-N 3.37Å | ||
| 229 | G | 51.2 | Low | 44 | Very low | 53 Ų | 53 | 138.3 Ų | 138.3 | 55% | 0.546 | 72% | 0.719 | S | S | . | * | trans | -74.7 | 52.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N227 | N227-G229 PolarHBondContact O-N 2.93Å; N227-G229 PolarHBondContact OD1-N 3.43Å | ||
| 230 | K | 39.5 | Very low | 42.3 | Very low | 181 Ų | 181 | 147.3 Ų | 147.3 | 79% | 0.787 | 75% | 0.749 | S | S | * | * | trans | -143.9 | 67.7 | 172.2 | -77.5 | -157.2 | 176.9 | -172.2 | 0 | 111.4 | Q228 V232 | Q228-K230 PolarHBondContact O-N 3.37Å; K230-V232 VanDerWaalsContact C-N 3.27Å; K230-V232 HydrophobicContact CB-CG2 4.2Å; K230-V232 HydrophobicContact CD-CG2 4.49Å; K230-V232 PolarHBondContact O-N 3.23Å | ||
| 231 | F | 37.5 | Very low | 41.2 | Very low | 205 Ų | 205 | 153.3 Ų | 153.3 | 90% | 0.899 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 94.7 | 149 | -93 | -92.1 | 0 | 0 | 0 | 107.8 | ||||
| 232 | V | 39.6 | Very low | 40.4 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | trans | -95.4 | 121 | 171.6 | 173.8 | 0 | 0 | 0 | 0 | 108.1 | K230 | K230-V232 VanDerWaalsContact C-N 3.27Å; K230-V232 HydrophobicContact CB-CG2 4.2Å; K230-V232 HydrophobicContact CD-CG2 4.49Å; K230-V232 PolarHBondContact O-N 3.23Å | ||
| 233 | Q | 39.2 | Very low | 39.8 | Very low | 172 Ų | 172 | 155.2 Ų | 155.2 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | -67.8 | 147.9 | 173.2 | -165.2 | 174.8 | 40.9 | 0 | 0 | 110 | ||||
| 234 | N | 35.1 | Very low | 39.2 | Very low | 153 Ų | 153 | 155.9 Ų | 155.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 64.7 | 96.5 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 235 | G | 43.9 | Very low | 39.1 | Very low | 70 Ų | 70 | 150 Ų | 150 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | 80.1 | 78.5 | 114.4 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 236 | R | 32.4 | Very low | 38.6 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | -168.5 | 126.4 | 131.2 | -101.1 | 156.6 | -152 | -91.2 | 2.1 | 109.4 | ||||
| 237 | A | 34.1 | Very low | 39 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -86.2 | 137 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 238 | W | 35.4 | Very low | 38.8 | Very low | 247 Ų | 247 | 147.5 Ų | 147.5 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -86 | 128.4 | 161.6 | -74 | 92.6 | 0 | 0 | 0 | 108.5 | R240 | W238-R240 PolarHBondContact O-N 3.02Š| ||
| 239 | P | 39.7 | Very low | 38.6 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 77% | 0.766 | 82% | 0.821 | S | S | * | * | trans | -70.9 | 113.9 | -179.5 | 28.1 | -33.2 | 0 | 0 | 0 | 110.2 | N241 | P239-N241 PolarHBondContact O-N 3.19Š| ||
| 240 | R | 35.7 | Very low | 37.8 | Very low | 246 Ų | 246 | 151.6 Ų | 151.6 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -81.8 | 102.2 | 166.6 | -173.3 | 176.4 | -174 | 171.5 | 0.9 | 107.5 | W238 | W238-R240 PolarHBondContact O-N 3.02Š| ||
| 241 | N | 33.8 | Very low | 37.7 | Very low | 161 Ų | 161 | 152.2 Ų | 152.2 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | trans | -63.7 | 147.9 | -171.5 | -157.3 | 17.5 | 0 | 0 | 0 | 112.3 | P239 | P239-N241 PolarHBondContact O-N 3.19Š| ||
| 242 | G | 32.8 | Very low | 37.6 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -160.2 | 70.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 243 | D | 37.1 | Very low | 37.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 82% | 0.82 | S | S | * | * | trans | 31.9 | 110.4 | 163.5 | -148.5 | -91.4 | 0 | 0 | 0 | 120.4 | ||||
| 244 | M | 36.8 | Very low | 38 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | trans | -161.9 | 117.7 | 135.4 | -171.8 | 66.8 | 78.2 | 0 | 0 | 110.2 | ||||
| 245 | G | 44 | Very low | 38.4 | Very low | 76 Ų | 76 | 142.7 Ų | 142.7 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | 51 | 92 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 246 | G | 37.8 | Very low | 38.2 | Very low | 78 Ų | 78 | 144 Ų | 144 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -152.7 | 124.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 247 | M | 49.3 | Very low | 38.8 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 100% | 1.005 | 81% | 0.812 | S | S | * | * | trans | -82.3 | 128.1 | -178.1 | -56.5 | 170 | -157.9 | 0 | 0 | 110.6 | ||||
| 248 | A | 36.2 | Very low | 38.9 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -136 | 111.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 249 | L | 39 | Very low | 38.9 | Very low | 179 Ų | 179 | 139 Ų | 139 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | -74.8 | 145.6 | 173.7 | -68.6 | 170.2 | 0 | 0 | 0 | 110.1 | ||||
| 250 | T | 34.8 | Very low | 38.6 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -75.4 | 145.1 | 166.6 | 64.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 251 | Y | 37.1 | Very low | 38.4 | Very low | 195 Ų | 195 | 135.6 Ų | 135.6 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | trans | -139.7 | 123.7 | 166.9 | -168.1 | -100.6 | 0 | 0 | 0 | 109.8 | ||||
| 252 | D | 36.9 | Very low | 38.4 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 55% | 0.545 | 81% | 0.805 | S | S | . | * | trans | -96.2 | 118.4 | -178.5 | -175.8 | -27 | 0 | 0 | 0 | 109 | T254 | D252-T254 PolarHBondContact O-N 3.22Å; D252-T254 VanDerWaalsContact O-N 3.09Å; D252-T254 WeakPolarHBondContact OD1-CB 3.39Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.43Å; D252-T254 PolarHBondContact OD1-N 3.43Å; D252-T254 PolarHBondContact OD1-OG1 3.31Å | ||
| 253 | P | 41.5 | Very low | 39.2 | Very low | 117 Ų | 117 | 140.8 Ų | 140.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 34.8 | -173 | 36.7 | -37.6 | 0 | 0 | 0 | 113.6 | ||
| 254 | T | 44.8 | Very low | 39.4 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 6.9 | -174.2 | 62.6 | 0 | 0 | 0 | 0 | 116.5 | D252 | D252-T254 PolarHBondContact O-N 3.22Å; D252-T254 VanDerWaalsContact O-N 3.09Å; D252-T254 WeakPolarHBondContact OD1-CB 3.39Å; D252-T254 WeakPolarHBondContact OD1-CG2 3.43Å; D252-T254 PolarHBondContact OD1-N 3.43Å; D252-T254 PolarHBondContact OD1-OG1 3.31Å |
| 255 | T | 43 | Very low | 39.7 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -136.6 | 78.8 | 179.3 | 46.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 256 | A | 41 | Very low | 39.4 | Very low | 98 Ų | 98 | 141.1 Ų | 141.1 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -162.9 | 112.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 257 | L | 44.6 | Very low | 39.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -97.8 | 125.4 | 156.7 | -79 | 167.7 | 0 | 0 | 0 | 108.1 | ||||
| 258 | Q | 35.8 | Very low | 38.5 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | 159.5 | 144.2 | 127.1 | -89.6 | -172.3 | 7.6 | 0 | 0 | 114.1 | |||||
| 259 | N | 34.6 | Very low | 38.6 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 51.1 | 96.7 | 144.9 | -60.6 | -35.1 | 0 | 0 | 0 | 120.5 | ||||
| 260 | G | 34 | Very low | 39.2 | Very low | 79 Ų | 79 | 139 Ų | 139 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | 120.1 | 138.9 | 113.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 261 | F | 31.5 | Very low | 39.5 | Very low | 213 Ų | 213 | 139.7 Ų | 139.7 | 93% | 0.934 | 77% | 0.768 | S | S | * | * | trans | 77.6 | 150.7 | 161.4 | -121.6 | -105.9 | 0 | 0 | 0 | 120 | ||||
| 262 | Y | 34.2 | Very low | 39.5 | Very low | 217 Ų | 217 | 140.6 Ų | 140.6 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -106.3 | 175.3 | -170.4 | -87.1 | -94.5 | 0 | 0 | 0 | 110.9 | ||||
| 263 | P | 49.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | cis | -131.9 | -178.3 | 12.4 | 33.4 | -11 | 0 | 0 | 0 | 117 | ||||
| 264 | A | 40.8 | Very low | 39.2 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 66% | 0.661 | 78% | 0.777 | S | S | * | * | trans | -88.5 | 179.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 265 | P | 42.9 | Very low | 38.6 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | -134 | 137.5 | 108 | 10.6 | 11.1 | 0 | 0 | 0 | 116.7 | |||||
| 266 | Y | 37.2 | Very low | 38.1 | Very low | 215 Ų | 215 | 145.9 Ų | 145.9 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | 45.4 | 116.1 | 147.6 | -53.7 | -65.4 | 0 | 0 | 0 | 123.1 | ||||
| 267 | N | 32.8 | Very low | 37.7 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | -115.2 | 150.8 | 147.3 | -178.7 | 7.4 | 0 | 0 | 0 | 107.8 | ||||
| 268 | I | 37 | Very low | 37.3 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -131.4 | 128.4 | 175.8 | -61.4 | -177.4 | 0 | 0 | 0 | 110.7 | ||||
| 269 | T | 37.5 | Very low | 37.3 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -109 | 151.4 | -169 | -57.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 270 | P | 51 | Low | 37.2 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | trans | -88 | 159.9 | -174 | 33.4 | -37.4 | 0 | 0 | 0 | 116.9 | ||||
| 271 | N | 42 | Very low | 38.1 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 77% | 0.774 | S | S | * | * | trans | 69.9 | 119.1 | 158.1 | -74.9 | -46 | 0 | 0 | 0 | 121.6 | ||||
| 272 | R | 36.7 | Very low | 38.2 | Very low | 214 Ų | 214 | 142.3 Ų | 142.3 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | 175.1 | 134.7 | 103.5 | -100.3 | -169.5 | 161.4 | -148.7 | 0.7 | 116.8 | |||||
| 273 | M | 33.9 | Very low | 38.2 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | trans | 73.9 | 125.3 | 137.6 | -63.3 | 176.6 | 103.7 | 0 | 0 | 125.1 | ||||
| 274 | L | 38 | Very low | 37.3 | Very low | 159 Ų | 159 | 138.5 Ų | 138.5 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | 71.8 | 146.5 | 139.3 | -68.6 | 172.1 | 0 | 0 | 0 | 120 | ||||
| 275 | A | 32.9 | Very low | 37 | Very low | 76 Ų | 76 | 139.9 Ų | 139.9 | 63% | 0.628 | 77% | 0.77 | S | S | * | * | cis | -159 | 166.6 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 276 | Q | 31.7 | Very low | 37.5 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | 65.3 | 150.1 | 160.7 | -72.6 | 178.8 | 17.2 | 0 | 0 | 118.5 | ||||
| 277 | S | 33.2 | Very low | 37.2 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | cis | -156.6 | 153.3 | -4.3 | 44 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 278 | A | 35.5 | Very low | 37.9 | Very low | 90 Ų | 90 | 134.5 Ų | 134.5 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | 44.5 | 117.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 279 | L | 35.6 | Very low | 37.7 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -178.7 | 152 | 99.9 | -91 | 173.5 | 0 | 0 | 0 | 111.2 | |||||
| 280 | S | 33.8 | Very low | 37.5 | Very low | 111 Ų | 111 | 136.7 Ų | 136.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -128.9 | 156.3 | 179.6 | -46.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 281 | P | 52.8 | Low | 36.6 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -148.5 | 153.3 | 75 | 30.6 | -8.4 | 0 | 0 | 0 | 118.2 | |||||
| 282 | Y | 32.2 | Very low | 36.2 | Very low | 211 Ų | 211 | 140 Ų | 140 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 52.8 | 119 | 146.8 | -74.2 | -115.2 | 0 | 0 | 0 | 120.4 | ||||
| 283 | L | 35.1 | Very low | 36 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | 74 | 104.2 | 68.1 | -85.8 | 158.6 | 0 | 0 | 0 | 116 | |||||
| 284 | S | 30.6 | Very low | 35.9 | Very low | 115 Ų | 115 | 135.3 Ų | 135.3 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | 165.6 | 135.2 | 111.9 | -71.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 285 | S | 35.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 135.4 Ų | 135.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | trans | -81.6 | 161.6 | 150.3 | -159.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 286 | P | 52.7 | Low | 35.8 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | cis | -164.3 | -159.6 | 46.8 | 45.7 | -20.8 | 0 | 0 | 0 | 118.8 | ||||
| 287 | V | 31.9 | Very low | 36.2 | Very low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 82.9 | 150.9 | 147.6 | 159.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 288 | S | 47.6 | Very low | 37.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -127 | 144.1 | 174.3 | 168.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 289 | S | 32.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -155.4 | 156 | -178 | 61.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 290 | Y | 33.4 | Very low | 37.1 | Very low | 205 Ų | 205 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -59.7 | 175.7 | 165.8 | -80.3 | -161.4 | 0 | 0 | 0 | 112.9 | ||||
| 291 | Q | 32.3 | Very low | 37.3 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | cis | -162.1 | -174.3 | 12.9 | -138 | 165.4 | 6.5 | 0 | 0 | 113.8 | ||||
| 292 | R | 33.1 | Very low | 37.1 | Very low | 196 Ų | 196 | 138.6 Ų | 138.6 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -18.3 | 159.7 | 153.4 | -75.6 | -175.4 | -70.9 | -153.6 | -2.9 | 117.8 | ||||
| 293 | V | 31.8 | Very low | 37.1 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | cis | -144.3 | -154.1 | 14.1 | -124.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 294 | T | 33.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 132.9 Ų | 132.9 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -153.6 | 132.2 | 10 | -25.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 295 | Q | 30.6 | Very low | 38.2 | Very low | 161 Ų | 161 | 132 Ų | 132 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | -2 | 133.2 | 146.2 | -156.7 | -159.8 | 142.6 | 0 | 0 | 123.1 | ||||
| 296 | T | 36.9 | Very low | 38.1 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | trans | -150.4 | 156.1 | 137.2 | 40 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 297 | S | 39.4 | Very low | 37.3 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -142.1 | -172.7 | -170.1 | -43.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 298 | P | 58 | Low | 37.4 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -133.7 | -179.7 | -12.1 | 41.4 | -25.4 | 0 | 0 | 0 | 114.3 | ||||
| 299 | L | 32.5 | Very low | 36.8 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | -178.6 | 141.2 | 121.2 | -98.9 | 165.5 | 0 | 0 | 0 | 114.4 | |||||
| 300 | Q | 34.5 | Very low | 36.8 | Very low | 175 Ų | 175 | 144.9 Ų | 144.9 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | 68.6 | 148.1 | 156 | -77.3 | 162.3 | -11.9 | 0 | 0 | 122.4 | ||||
| 301 | V | 37 | Very low | 36.7 | Very low | 137 Ų | 137 | 141 Ų | 141 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | trans | -134.2 | 174.4 | -172.3 | -77.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 302 | P | 48.4 | Very low | 36.9 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -136.3 | -178.1 | 11.8 | 42.4 | -23.8 | 0 | 0 | 0 | 116.7 | ||||
| 303 | N | 32.9 | Very low | 37 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 68% | 0.684 | 76% | 0.756 | S | S | * | * | trans | -77.6 | 156 | 161.3 | -173.6 | 43.3 | 0 | 0 | 0 | 110.5 | ||||
| 304 | P | 50.6 | Low | 37 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 70% | 0.695 | 76% | 0.756 | S | S | * | * | -143.4 | 155.4 | 107.7 | 38.5 | -25.6 | 0 | 0 | 0 | 115.6 | |||||
| 305 | S | 37.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 143.6 Ų | 143.6 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -69.3 | 154.7 | 172.9 | -42.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 306 | W | 34.4 | Very low | 38 | Very low | 246 Ų | 246 | 141.9 Ų | 141.9 | 93% | 0.932 | 75% | 0.754 | S | S | * | * | trans | -135.5 | 162.8 | 161.5 | -111.5 | 76.4 | 0 | 0 | 0 | 112.3 | ||||
| 307 | M | 35.7 | Very low | 38 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | trans | -117.9 | 165.2 | -164 | -75.1 | 170.1 | 59 | 0 | 0 | 113.4 | ||||
| 308 | H | 34.5 | Very low | 37.7 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 66% | 0.662 | 75% | 0.749 | S | S | * | * | trans | 25.7 | 130.3 | 151.9 | -67.8 | 94.4 | 0 | 0 | 0 | 120 | H310 | H308-H310 AromaticContact CD2-NE2 3.77Š| ||
| 309 | H | 34.6 | Very low | 36.6 | Very low | 187 Ų | 187 | 138.8 Ų | 138.8 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -123.1 | 139 | 145.8 | -149.1 | -81.7 | 0 | 0 | 0 | 110.6 | ||||
| 310 | H | 32 | Very low | 36.7 | Very low | 122 Ų | 122 | 138 Ų | 138 | 57% | 0.565 | 75% | 0.753 | S | S | * | * | trans | -104.5 | 165.7 | 177.2 | -69.4 | -122.6 | 0 | 0 | 0 | 109.9 | H308 Y312 | H308-H310 AromaticContact CD2-NE2 3.77Å; H310-Y312 HydrophobicContact CB-CD2 4.49Å | ||
| 311 | S | 31.2 | Very low | 36.7 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | trans | -121.1 | 117.6 | 172 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 312 | Y | 36.4 | Very low | 36.6 | Very low | 203 Ų | 203 | 137 Ų | 137 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -153.9 | 153.5 | 178.6 | -80.9 | -55.3 | 0 | 0 | 0 | 105.9 | H310 | H310-Y312 HydrophobicContact CB-CD2 4.49Š| ||
| 313 | L | 34.7 | Very low | 37.1 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 73% | 0.733 | 76% | 0.756 | S | S | * | * | cis | -160 | 175.3 | -4.7 | -135 | 162.3 | 0 | 0 | 0 | 107.1 | ||||
| 314 | M | 32.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | 147.1 | 134.4 | 152.2 | -79.1 | -92.2 | 148.9 | 0 | 0 | 108.7 | ||||
| 315 | Q | 39.2 | Very low | 36.3 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 63% | 0.626 | 77% | 0.767 | S | S | * | * | cis | -160.4 | 161.3 | -11.6 | -139.4 | -178.7 | 18.6 | 0 | 0 | 108.2 | ||||
| 316 | P | 46.2 | Very low | 36 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | trans | -131.9 | 158 | 142.4 | 37.7 | -28.9 | 0 | 0 | 0 | 112.8 | ||||
| 317 | S | 35.4 | Very low | 36.3 | Very low | 102 Ų | 102 | 136.7 Ų | 136.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -131 | 109 | -164.8 | -57 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 318 | G | 34.3 | Very low | 37 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 70.3 | 170.6 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 319 | S | 34 | Very low | 37.2 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | cis | -161.8 | 135.3 | -19.8 | -93.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 320 | V | 34.2 | Very low | 37.4 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | 20.2 | 126.4 | 149.1 | -162.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 321 | L | 35.7 | Very low | 37.7 | Very low | 162 Ų | 162 | 133.7 Ų | 133.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | 173.6 | 153.7 | 121.5 | -92.9 | 171 | 0 | 0 | 0 | 114.5 | |||||
| 322 | T | 34.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | -147.2 | 172.4 | 168.4 | 54.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 323 | P | 58.5 | Low | 38.7 | Very low | 129 Ų | 129 | 131.2 Ų | 131.2 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | cis | -126.9 | -166.5 | -1 | 43.2 | -27.3 | 0 | 0 | 0 | 113.9 | ||||
| 324 | G | 32.3 | Very low | 38.9 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | trans | -174.4 | 145 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 325 | M | 35 | Very low | 39.1 | Very low | 181 Ų | 181 | 125.3 Ų | 125.3 | 89% | 0.892 | 76% | 0.759 | S | S | * | * | trans | -65.7 | 165.4 | 176.3 | -69.3 | 70.5 | 165.6 | 0 | 0 | 112.1 | ||||
| 326 | D | 29.9 | Very low | 39 | Very low | 143 Ų | 143 | 127.4 Ų | 127.4 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | cis | -165.3 | -176.6 | 43.2 | -169.7 | -134.2 | 0 | 0 | 0 | 114.1 | ||||
| 327 | H | 42.1 | Very low | 38.7 | Very low | 166 Ų | 166 | 130.3 Ų | 130.3 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -134.5 | 140.2 | 179 | -74 | -19.6 | 0 | 0 | 0 | 114.7 | ||||
| 328 | P | 50.2 | Low | 39 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -123.3 | 138.4 | 122.8 | -2.5 | 23.9 | 0 | 0 | 0 | 112 | |||||
| 329 | I | 38.8 | Very low | 40.4 | Very low | 158 Ų | 158 | 131 Ų | 131 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | 63.8 | 125.3 | 75.7 | -65.2 | 171.8 | 0 | 0 | 0 | 111.4 | |||||
| 330 | S | 37.5 | Very low | 40.5 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | -158.8 | 170.8 | -1.1 | -134.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 331 | L | 40 | Very low | 40.6 | Very low | 167 Ų | 167 | 132.3 Ų | 132.3 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | cis | -142.1 | 156.5 | 28.8 | -96.1 | 108.8 | 0 | 0 | 0 | 113.8 | ||||
| 332 | Q | 39.3 | Very low | 41 | Very low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -74.1 | -171.1 | 161.2 | -75.6 | -92.5 | -42 | 0 | 0 | 111.1 | ||||
| 333 | P | 47.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | cis | -124.8 | 151.9 | -4.7 | 4.8 | 23.4 | 0 | 0 | 0 | 114.3 | ||||
| 334 | A | 39.2 | Very low | 40.3 | Very low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | 85.4 | 148.6 | 93.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 335 | S | 37.6 | Very low | 40.6 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 60% | 0.601 | 77% | 0.767 | S | S | * | * | cis | -165.6 | 135.9 | -9.7 | -107.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 336 | M | 35.8 | Very low | 40.8 | Very low | 178 Ų | 178 | 134 Ų | 134 | 88% | 0.877 | 76% | 0.763 | S | S | * | * | trans | 60.5 | 174 | 134.8 | -44.9 | -28.7 | 170 | 0 | 0 | 121.6 | ||||
| 337 | M | 40.5 | Very low | 41.2 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -146.5 | 133.3 | -160.7 | 168.4 | 155.9 | 52.7 | 0 | 0 | 114.3 | ||||
| 338 | G | 42.1 | Very low | 40.8 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 75.6 | -179.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 339 | P | 64 | Low | 40.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | cis | -137.6 | -169.5 | -15.2 | 39.4 | -20.5 | 0 | 0 | 0 | 114.8 | ||||
| 340 | L | 35.6 | Very low | 39.7 | Very low | 154 Ų | 154 | 129.7 Ų | 129.7 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | 86.6 | 111.2 | 148.7 | -127 | 80 | 0 | 0 | 0 | 123.5 | ||||
| 341 | T | 36.6 | Very low | 39.5 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 67.6 | 155.5 | 131.7 | -150.4 | 0 | 0 | 0 | 0 | 126 | ||||
| 342 | Q | 44.3 | Very low | 39.3 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | trans | 68.7 | 150.7 | 164.6 | -76.5 | -149.6 | 85.6 | 0 | 0 | 121.2 | ||||
| 343 | Q | 42.2 | Very low | 39 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | cis | -168 | 158.5 | -30.9 | -149.1 | 177.6 | -120.9 | 0 | 0 | 112.3 | ||||
| 344 | L | 36.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | 71.9 | 139.5 | 163 | -55 | -178.7 | 0 | 0 | 0 | 119.9 | ||||
| 345 | G | 36.9 | Very low | 38.2 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 179.2 | 31.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 346 | H | 39.5 | Very low | 38.1 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 62.5 | 103.1 | 159.5 | -155.6 | -88.2 | 0 | 0 | 0 | 122.3 | ||||
| 347 | L | 38.7 | Very low | 38 | Very low | 136 Ų | 136 | 136 Ų | 136 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | trans | 39.1 | 104.4 | 141.7 | -68.4 | 164.6 | 0 | 0 | 0 | 123 | ||||
| 348 | S | 34.1 | Very low | 37.4 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 40.7 | 137.2 | 111.4 | -66.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 349 | L | 36.7 | Very low | 36.9 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 71.4 | 155.4 | 152.8 | -62.2 | 162.4 | 0 | 0 | 0 | 118.2 | ||||
| 350 | S | 28.8 | Very low | 35.3 | Very low | 89 Ų | 89 | 134.1 Ų | 134.1 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | cis | -174.4 | 157.6 | -33.5 | 57.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 351 | S | 33.9 | Very low | 35.2 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 81.4 | 152.5 | 151.9 | -56 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 352 | T | 35.4 | Very low | 35.2 | Very low | 148 Ų | 148 | 133.2 Ų | 133.2 | 91% | 0.908 | 79% | 0.787 | S | S | * | * | trans | -82 | 153.4 | -176.3 | 49.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 353 | G | 32 | Very low | 34.8 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -170.8 | 132.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 354 | T | 37.5 | Very low | 34.4 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -111.6 | 136.6 | 178.2 | -54.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 355 | Y | 32.8 | Very low | 34.2 | Very low | 207 Ų | 207 | 129.3 Ų | 129.3 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 161.4 | 162.4 | -145.7 | -96.8 | 0 | 0 | 0 | 112.5 | ||||
| 356 | M | 36.6 | Very low | 33.9 | Very low | 162 Ų | 162 | 135.5 Ų | 135.5 | 80% | 0.798 | 81% | 0.806 | S | S | * | * | trans | -126.4 | 139.1 | 179.7 | -63.4 | 171.7 | 65.4 | 0 | 0 | 110.7 | ||||
| 357 | Q | 32.8 | Very low | 34 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -156.2 | 111.8 | 155.9 | -152.6 | 76.4 | 43.9 | 0 | 0 | 113.4 | ||||
| 358 | T | 27.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -3.9 | 127 | 148.7 | -41.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 359 | A | 31.4 | Very low | 33.6 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | -176.6 | 156.5 | 126.5 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 360 | A | 31.3 | Very low | 33.5 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -95.5 | 149.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 361 | A | 32.8 | Very low | 34 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | trans | -167.9 | 139.2 | 141.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 362 | M | 37.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | trans | 51.3 | 121.6 | 145 | -65.8 | -64 | 149.8 | 0 | 0 | 123.7 | ||||
| 363 | Q | 34.8 | Very low | 34.9 | Very low | 186 Ų | 186 | 140.9 Ų | 140.9 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | 53 | 135 | 130.9 | -65.1 | 178.7 | -22.4 | 0 | 0 | 122 | ||||
| 364 | G | 33.8 | Very low | 35.9 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 124.1 | 76.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 365 | A | 32.8 | Very low | 35.6 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -85.5 | 121.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 366 | Y | 31.9 | Very low | 35.9 | Very low | 207 Ų | 207 | 138.6 Ų | 138.6 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -128.9 | 117.4 | 169.4 | -171.1 | -87.9 | 0 | 0 | 0 | 109.3 | ||||
| 367 | I | 40.8 | Very low | 35.7 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 82% | 0.821 | 82% | 0.818 | S | S | * | * | trans | -129.9 | 126.3 | 175.2 | -70.3 | 177.7 | 0 | 0 | 0 | 107.4 | ||||
| 368 | S | 28.9 | Very low | 35.7 | Very low | 88 Ų | 88 | 135.3 Ų | 135.3 | 62% | 0.615 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 143.2 | 173.8 | -63.5 | 0 | 0 | 0 | 0 | 111.4 | ||
| 369 | Q | 35.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71 | 152.8 | -171.5 | -69.9 | -79.1 | 6.2 | 0 | 0 | 114.1 | ||
| 370 | Y | 34.5 | Very low | 36 | Very low | 221 Ų | 221 | 135.6 Ų | 135.6 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 154.1 | 160.6 | -92 | -102 | 0 | 0 | 0 | 111 | ||
| 371 | T | 39.7 | Very low | 36 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 123.5 | 176.5 | -47.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 372 | P | 43.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 159.8 | 173.5 | 35.5 | -34.2 | 0 | 0 | 0 | 112.5 | ||
| 373 | V | 43.8 | Very low | 35.5 | Very low | 140 Ų | 140 | 141.4 Ų | 141.4 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -106.9 | 140 | 166.4 | -70 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 374 | P | 54 | Low | 35.4 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -92.3 | 157.3 | -173.6 | 35.9 | -35.8 | 0 | 0 | 0 | 113.8 | ||||
| 375 | S | 30.9 | Very low | 35.3 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -110.8 | 139.4 | 163 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 376 | S | 39.3 | Very low | 35.3 | Very low | 124 Ų | 124 | 141.2 Ų | 141.2 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | trans | -111.9 | 140.3 | 178.4 | 40.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 377 | S | 32.5 | Very low | 35.4 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -99.1 | 153.3 | -177.7 | 49.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 378 | V | 31.7 | Very low | 35.1 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -141.2 | 140.8 | 168.3 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 379 | S | 32.6 | Very low | 35.3 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 82% | 0.82 | S | S | * | * | trans | -143.3 | 171.5 | 169.3 | -50.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 380 | V | 34.6 | Very low | 35.3 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 79% | 0.788 | 82% | 0.816 | S | S | * | * | cis | -143.1 | 157.8 | 14.4 | -174.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 381 | E | 31.3 | Very low | 35.3 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | 174.6 | -176.9 | 126.9 | -141.4 | 150.3 | 100.9 | 0 | 0 | 112.8 | |||||
| 382 | E | 29.7 | Very low | 35.3 | Very low | 173 Ų | 173 | 133.1 Ų | 133.1 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | -125.8 | 142.2 | -149 | 174.8 | -174.7 | 98.5 | 0 | 0 | 114.1 | ||||
| 383 | S | 29 | Very low | 34.8 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -165.3 | 122.7 | 143.5 | -98.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 384 | S | 32.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 20.6 | 134.6 | 145.2 | 59.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 385 | G | 32 | Very low | 34.4 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 158.5 | 98.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 386 | Q | 33.1 | Very low | 34.8 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -28.3 | 126 | 165.4 | -78 | 159.6 | -66.2 | 0 | 0 | 116.7 | ||||
| 387 | Q | 33.8 | Very low | 34.5 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | 87.4 | 99.3 | 73.5 | -176.5 | -171.3 | 17.3 | 0 | 0 | 114.2 | |||||
| 388 | N | 34.6 | Very low | 35 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | -160.2 | 160 | 127.2 | -133.5 | -6.9 | 0 | 0 | 0 | 113.8 | |||||
| 389 | Q | 32 | Very low | 35.1 | Very low | 173 Ų | 173 | 131.3 Ų | 131.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | -92.4 | 177.5 | 172.9 | -61.5 | 175.4 | -4.2 | 0 | 0 | 109.1 | ||||
| 390 | V | 35.7 | Very low | 35.3 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | cis | -153.3 | 144.6 | 35.7 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 391 | A | 35.5 | Very low | 35.4 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 63% | 0.628 | 78% | 0.781 | S | S | * | * | trans | 2.4 | 140.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 392 | V | 38.1 | Very low | 35.5 | Very low | 133 Ų | 133 | 132.6 Ų | 132.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | 75.2 | 134.9 | 89.9 | 173.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 393 | D | 33 | Very low | 35.8 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | cis | -144.5 | 179.8 | 22.4 | -150.5 | 172.2 | 0 | 0 | 0 | 114.5 | ||||
| 394 | A | 37.8 | Very low | 36.2 | Very low | 75 Ų | 75 | 137.1 Ų | 137.1 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | trans | -97.4 | -159.7 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 395 | P | 53.5 | Low | 36.7 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -139.8 | -166.6 | -3.9 | 43 | -22.9 | 0 | 0 | 0 | 115.8 | ||||
| 396 | S | 38.9 | Very low | 37 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 77% | 0.774 | S | S | * | * | trans | 81.8 | 116.5 | 144.4 | -68.4 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 397 | E | 33.3 | Very low | 37.6 | Very low | 162 Ų | 162 | 147 Ų | 147 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | 82.9 | 124.2 | 127.6 | -66.3 | -167.8 | 110.3 | 0 | 0 | 124.2 | |||||
| 398 | H | 41.6 | Very low | 37.8 | Very low | 173 Ų | 173 | 146.3 Ų | 146.3 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | 44.9 | 118 | 140.3 | -66.9 | -66.1 | 0 | 0 | 0 | 122.7 | ||||
| 399 | G | 34.3 | Very low | 38 | Very low | 79 Ų | 79 | 145.7 Ų | 145.7 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -156.6 | 101.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 400 | V | 36.8 | Very low | 38.3 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | -93.3 | 128.2 | 171.7 | 173.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 401 | Y | 36.6 | Very low | 38.5 | Very low | 236 Ų | 236 | 145.2 Ų | 145.2 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | -143.8 | 157.4 | 161.9 | -107.5 | -79.8 | 0 | 0 | 0 | 112.6 | ||||
| 402 | S | 34.6 | Very low | 38.7 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | trans | -123.3 | 153.1 | -170 | -89.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 403 | F | 35.5 | Very low | 38.7 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 83% | 0.833 | 80% | 0.795 | S | S | * | * | trans | 41.8 | 123.5 | 153.2 | -81.8 | -93.7 | 0 | 0 | 0 | 119.9 | ||||
| 404 | Q | 38.1 | Very low | 39.1 | Very low | 189 Ų | 189 | 150.7 Ų | 150.7 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | -150.6 | 164.9 | 107.1 | -123.4 | -168.5 | 22.7 | 0 | 0 | 113.2 | |||||
| 405 | F | 41.3 | Very low | 39.2 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -134.3 | 123.8 | -173.8 | -170.3 | -70 | 0 | 0 | 0 | 107.7 | ||||
| 406 | N | 39.4 | Very low | 38 | Very low | 145 Ų | 145 | 160.4 Ų | 160.4 | 78% | 0.775 | 82% | 0.815 | S | S | * | * | trans | -162 | 93.3 | 172 | -165.3 | -5.6 | 0 | 0 | 0 | 113.4 | ||||
| 407 | K | 45.8 | Very low | 37.9 | Very low | 252 Ų | 252 | 166.2 Ų | 166.2 | 100% | 1.096 | 83% | 0.828 | S | S | * | * | -162.1 | 0 | 114.9 | -125.7 | 175.6 | -179.8 | 175.6 | 0 | 112 |
Retrieved 407 of 407 residues in 127.6 ms
(Link to these results)