| 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 | 47.5 | Very low | 57.6 | Low | 240 Ų | 240 | 124.4 Ų | 124.4 | 100% | 1.182 | 75% | 0.754 | S | S | * | * | 0 | 165.6 | 0 | -71.8 | 63.2 | 172.9 | 0 | 0 | 108.4 | |||||
| 2 | A | 53.1 | Low | 57.9 | Low | 103 Ų | 103 | 121.1 Ų | 121.1 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -113 | -164 | -153.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 3 | Y | 56.8 | Low | 57.5 | Low | 171 Ų | 171 | 117.4 Ų | 117.4 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | trans | -123.7 | 143.5 | -150.8 | -79.2 | -119.4 | 0 | 0 | 0 | 118 | ||||
| 4 | A | 59.1 | Low | 57.4 | Low | 51 Ų | 51 | 126.4 Ų | 126.4 | 42% | 0.421 | 78% | 0.777 | S | S | . | * | 51.6 | 111.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 129.5 | |||||
| 5 | H | 61.6 | Low | 57.1 | Low | 95 Ų | 95 | 129.3 Ų | 129.3 | 44% | 0.44 | 78% | 0.784 | S | S | . | * | 92.6 | 0 | 100.6 | -91.2 | -100 | 0 | 0 | 0 | 127.6 | Q150 K151 E152 | H5-Q150 VanDerWaalsContact CG-O 3.3Å; H5-Q150 PolarHBondContact ND1-O 3.28Å; H5-Q150 VanDerWaalsContact ND1-O 3.1Å; H5-K151 WeakPolarHBondContact CE1-CA 3.4Å; H5-K151 PolarHBondContact CE1-N 3.45Å; H5-K151 PolarHBondContact CE1-O 3.18Å; H5-K151 PolarHBondContact ND1-N 3.46Å; H5-K151 VanDerWaalsContact ND1-N 3.15Å; H5-K151 WeakPolarHBondContact NE2-CA 2.99Å; H5-K151 PolarHBondContact NE2-N 3.21Å; H5-E152 PolarHBondContact CE1-N 3.25Å; H5-E152 WeakPolarHBondContact NE2-CA 3.44Å; H5-E152 PolarHBondContact NE2-N 3.47Å | |||
| 6 | P | 55.7 | Low | 57.1 | Low | 82 Ų | 82 | 132.3 Ų | 132.3 | 53% | 0.532 | 79% | 0.793 | S | S | . | * | 0 | -167.9 | 0 | 47.1 | -24.9 | 0 | 0 | 0 | 122.4 | |||||
| 7 | H | 61.9 | Low | 56.3 | Low | 190 Ų | 190 | 134.2 Ų | 134.2 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | 80.2 | 166.7 | 164.5 | -54.3 | -36.2 | 0 | 0 | 0 | 121.3 | ||||
| 8 | G | 57.8 | Low | 55.7 | Low | 79 Ų | 79 | 139.1 Ų | 139.1 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | cis | 142.8 | 152.5 | -13.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 9 | A | 58.1 | Low | 55.2 | Low | 99 Ų | 99 | 138 Ų | 138 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -174.7 | 168.3 | -24.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 10 | T | 62.6 | Low | 54.6 | Low | 143 Ų | 143 | 137.1 Ų | 137.1 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | 83.5 | 159.5 | 160.4 | -119.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 11 | S | 59.5 | Low | 54.8 | Low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | cis | -166 | 178.7 | -14.7 | 68.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 12 | G | 61.6 | Low | 54.7 | Low | 85 Ų | 85 | 130.9 Ų | 130.9 | 88% | 0.876 | 78% | 0.78 | S | S | * | * | trans | 153 | 169.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 13 | G | 52.2 | Low | 54.4 | Low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | cis | 172.7 | 142.3 | -14.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 14 | Y | 56 | Low | 54.3 | Low | 244 Ų | 244 | 128.7 Ų | 128.7 | 96% | 0.957 | 79% | 0.787 | S | S | * | * | trans | 62.7 | 170.2 | 163.5 | -57.2 | -63 | 0 | 0 | 0 | 125.5 | ||||
| 15 | L | 53.4 | Low | 53.6 | Low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -140.2 | 158.3 | -153.4 | -74.8 | 170.3 | 0 | 0 | 0 | 118.8 | ||||
| 16 | L | 57 | Low | 53 | Low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -171 | -167.9 | 149.3 | -108.1 | 161.4 | 0 | 0 | 0 | 116.8 | ||||
| 17 | Q | 43.9 | Very low | 52.5 | Low | 166 Ų | 166 | 140.3 Ų | 140.3 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -136.6 | 165.4 | -139.3 | 177.6 | 67.8 | -23.8 | 0 | 0 | 118.9 | ||||
| 18 | R | 44.6 | Very low | 52.2 | Low | 221 Ų | 221 | 138 Ų | 138 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | 94.6 | 168.8 | 164.8 | -53.4 | -170.5 | 102.4 | -145.5 | 6.4 | 119.1 | ||||
| 19 | P | 45.7 | Very low | 51.7 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | cis | -129.6 | -156.5 | -44.5 | 37.3 | -17.7 | 0 | 0 | 0 | 114.6 | ||||
| 20 | S | 44.1 | Very low | 51.5 | Low | 120 Ų | 120 | 144.7 Ų | 144.7 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -126.3 | 163.4 | -168.9 | -153.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | P | 59.8 | Low | 51.2 | Low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 82% | 0.819 | S | S | * | * | trans | -122 | 177.3 | -160.3 | 44.3 | -34 | 0 | 0 | 0 | 118.5 | ||||
| 22 | S | 43.8 | Very low | 50.7 | Low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | trans | -159.2 | 138.8 | 168.6 | 54.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 23 | A | 48 | Very low | 50.6 | Low | 102 Ų | 102 | 149.5 Ų | 149.5 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | trans | -178.3 | 154.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 24 | P | 53.3 | Low | 50.4 | Low | 127 Ų | 127 | 151.7 Ų | 151.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -126.4 | 158.1 | -165.5 | 40.2 | -25.2 | 0 | 0 | 0 | 120.4 | ||||
| 25 | Y | 45.8 | Very low | 50.5 | Low | 174 Ų | 174 | 148.1 Ų | 148.1 | 68% | 0.682 | 82% | 0.82 | S | S | * | * | trans | 5.7 | 149.5 | 153.6 | -163 | -101.6 | 0 | 0 | 0 | 125.4 | T27 | Y25-T27 WeakPolarHBondContact OH-CG2 3.41Š| ||
| 26 | F | 47.7 | Very low | 50.2 | Low | 203 Ų | 203 | 147.4 Ų | 147.4 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -163.3 | 152.5 | 141.2 | -92.9 | -61.8 | 0 | 0 | 0 | 113.5 | ||||
| 27 | T | 45.6 | Very low | 50 | Low | 95 Ų | 95 | 146.1 Ų | 146.1 | 58% | 0.583 | 81% | 0.81 | S | S | * | * | trans | -159.2 | 149.5 | 171.5 | -140.4 | 0 | 0 | 0 | 0 | 113.3 | Y25 | Y25-T27 WeakPolarHBondContact OH-CG2 3.41Š| ||
| 28 | V | 56.6 | Low | 50.5 | Low | 142 Ų | 142 | 143.8 Ų | 143.8 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -151.7 | 155.7 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 29 | N | 46.9 | Very low | 50.8 | Low | 153 Ų | 153 | 139.3 Ų | 139.3 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -144.9 | 159.2 | 176.4 | -174.5 | 29.9 | 0 | 0 | 0 | 110.8 | ||||
| 30 | N | 53 | Low | 51.2 | Low | 164 Ų | 164 | 137.2 Ų | 137.2 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -155.5 | 160.3 | 174.1 | -147.4 | 1.1 | 0 | 0 | 0 | 114.6 | ||||
| 31 | G | 57.7 | Low | 51.8 | Low | 72 Ų | 72 | 138.4 Ų | 138.4 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | -105.7 | -174.3 | -164.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 32 | Q | 48.1 | Very low | 51.6 | Low | 194 Ų | 194 | 140.6 Ų | 140.6 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | trans | -120.2 | 144.5 | -169.3 | -102.1 | -166.2 | -20.8 | 0 | 0 | 115.4 | ||||
| 33 | M | 58.7 | Low | 52.4 | Low | 178 Ų | 178 | 141 Ų | 141 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -178.5 | 155.6 | 152.2 | 52.2 | -173.9 | 74.2 | 0 | 0 | 108.5 | ||||
| 34 | S | 49 | Very low | 52.9 | Low | 119 Ų | 119 | 143.9 Ų | 143.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | cis | -161.6 | 175.6 | -21.8 | -89.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 35 | H | 58.3 | Low | 52.6 | Low | 169 Ų | 169 | 142.9 Ų | 142.9 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | trans | -140.3 | 161.4 | -177.9 | 57.9 | -107.7 | 0 | 0 | 0 | 115 | ||||
| 36 | N | 47.4 | Very low | 53.2 | Low | 155 Ų | 155 | 142.5 Ų | 142.5 | 83% | 0.829 | 81% | 0.812 | S | S | * | * | trans | -153.2 | 169.1 | 162.5 | -121 | -87.6 | 0 | 0 | 0 | 111.2 | ||||
| 37 | L | 52 | Low | 53.5 | Low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | -116.8 | 151.2 | -153.6 | -47.1 | 90.4 | 0 | 0 | 0 | 115.1 | ||||
| 38 | S | 53.9 | Low | 54.1 | Low | 117 Ų | 117 | 144.9 Ų | 144.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | -174.2 | 133.4 | 125.7 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 39 | P | 51.3 | Low | 54.1 | Low | 127 Ų | 127 | 142.9 Ų | 142.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -104.1 | 143 | 179.2 | 36.9 | -30.6 | 0 | 0 | 0 | 113.9 | ||||
| 40 | G | 53.7 | Low | 54.3 | Low | 76 Ų | 76 | 140.5 Ų | 140.5 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | 168.1 | 80.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 41 | V | 57.4 | Low | 54.3 | Low | 145 Ų | 145 | 138.1 Ų | 138.1 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -157.3 | 148.2 | 152.7 | -102.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 42 | I | 54.8 | Low | 53.9 | Low | 168 Ų | 168 | 138.9 Ų | 138.9 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | trans | -102.5 | 111.7 | -176.9 | -60.1 | 169.6 | 0 | 0 | 0 | 109.7 | ||||
| 43 | T | 62 | Low | 54.2 | Low | 132 Ų | 132 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -143.3 | 127.1 | 166.5 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | Q | 57 | Low | 54.3 | Low | 162 Ų | 162 | 137.1 Ų | 137.1 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | -112.5 | 169.7 | 173 | -66.5 | -82 | 18.9 | 0 | 0 | 108.8 | ||||
| 45 | P | 47.3 | Very low | 54.6 | Low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -129.9 | 135.4 | -48.4 | 33.6 | -19.4 | 0 | 0 | 0 | 110.9 | ||||
| 46 | I | 58.7 | Low | 54.3 | Low | 165 Ų | 165 | 132.4 Ų | 132.4 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | -127.9 | 133.5 | 177.6 | -65.8 | 180 | 0 | 0 | 0 | 111.8 | Q48 | I46-Q48 PolarHBondContact O-N 3.15Š| ||
| 47 | F | 53.5 | Low | 55 | Low | 187 Ų | 187 | 130.7 Ų | 130.7 | 82% | 0.82 | 75% | 0.752 | S | S | * | * | trans | -54.4 | 122.8 | 172.2 | -96.9 | -125.5 | 0 | 0 | 0 | 111.9 | P49 | F47-P49 HydrophobicContact CD1-CG 4.24Š| ||
| 48 | Q | 58.3 | Low | 55.6 | Low | 161 Ų | 161 | 127.7 Ų | 127.7 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | -133.3 | 76.9 | 151.3 | -71.9 | -157.8 | 12.8 | 0 | 0 | 110.8 | I46 N50 | I46-Q48 PolarHBondContact O-N 3.15Å; Q48-N50 PolarHBondContact O-N 3.1Å | ||
| 49 | P | 56 | Low | 56.1 | Low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 129 | 164.2 | 29.2 | -32.8 | 0 | 0 | 0 | 109.7 | F47 | F47-P49 HydrophobicContact CD1-CG 4.24Š| ||
| 50 | N | 51.9 | Low | 56.7 | Low | 103 Ų | 103 | 133 Ų | 133 | 55% | 0.551 | 75% | 0.75 | S | S | * | * | trans | 67.3 | 65.2 | 151.7 | -166.9 | 25 | 0 | 0 | 0 | 118.4 | Q48 Y53 | Q48-N50 PolarHBondContact O-N 3.1Å; N50-Y53 WeakPolarHBondContact ND2-CE2 3.35Å; N50-Y53 WeakPolarHBondContact OD1-CD2 3.17Å; N50-Y53 WeakPolarHBondContact OD1-CE2 3.47Å | ||
| 51 | L | 53.3 | Low | 57.8 | Low | 114 Ų | 114 | 139 Ų | 139 | 60% | 0.597 | 76% | 0.755 | S | S | * | * | trans | -103.3 | 9.7 | 168 | -155.7 | 64.1 | 0 | 0 | 0 | 114.3 | Y53 L54 | L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 PolarHBondContact O-N 3.14Å; L51-L54 HydrophobicContact CD1-CD1 3.94Å | ||
| 52 | S | 49.3 | Very low | 58.9 | Low | 88 Ų | 88 | 139.4 Ų | 139.4 | 62% | 0.615 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -8.2 | -178.6 | 49.2 | 0 | 0 | 0 | 0 | 114.6 | ||
| 53 | Y | 55.2 | Low | 60.3 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 74% | 0.737 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -6.7 | 179.1 | -65.7 | -58.5 | 0 | 0 | 0 | 115.3 | N50 L51 | N50-Y53 WeakPolarHBondContact ND2-CE2 3.35Å; N50-Y53 WeakPolarHBondContact OD1-CD2 3.17Å; N50-Y53 WeakPolarHBondContact OD1-CE2 3.47Å; L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 PolarHBondContact O-N 3.14Å |
| 54 | L | 59.1 | Low | 61.4 | Low | 147 Ų | 147 | 145 Ų | 145 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -105.4 | -0.6 | -174.5 | -62.4 | -175.5 | 0 | 0 | 0 | 115.2 | L51 | L51-L54 HydrophobicContact CD1-CD1 3.94Š|
| 55 | T | 56.7 | Low | 63 | Low | 106 Ų | 106 | 143.3 Ų | 143.3 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -109.6 | 88.3 | 178 | -174.9 | 0 | 0 | 0 | 0 | 113.1 | T57 | T55-T57 VanDerWaalsContact C-N 3.3Å; T55-T57 PolarHBondContact O-N 3.38Å |
| 56 | G | 52.4 | Low | 65.1 | Low | 83 Ų | 83 | 148.5 Ų | 148.5 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | S | Bend | trans | 62.4 | -38.8 | 145 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 57 | T | 61.5 | Low | 66.8 | Low | 120 Ų | 120 | 142 Ų | 142 | 74% | 0.736 | 71% | 0.708 | S | S | * | * | trans | -136.5 | 46.8 | -156.9 | 52.2 | 0 | 0 | 0 | 0 | 114.1 | T55 P59 | T55-T57 VanDerWaalsContact C-N 3.3Å; T55-T57 PolarHBondContact O-N 3.38Å; T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.13Å | ||
| 58 | A | 63.9 | Low | 68.9 | Low | 86 Ų | 86 | 138.9 Ų | 138.9 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | trans | -50.5 | 121.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | R60 | A58-R60 PolarHBondContact O-N 2.85Š| ||
| 59 | P | 64.1 | Low | 70.7 | Confident | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 68% | 0.679 | S | S | * | * | trans | -67.4 | 100.6 | -170.1 | 24 | -33.2 | 0 | 0 | 0 | 110.5 | T57 K61 | T57-P59 WeakPolarHBondContact O-CD 3.42Å; T57-P59 VanDerWaalsContact O-N 3.13Å; P59-K61 PolarHBondContact O-N 3.25Å; P59-K61 VanDerWaalsContact O-N 3.1Å | ||
| 60 | R | 65 | Low | 72.7 | Confident | 232 Ų | 232 | 132 Ų | 132 | 88% | 0.875 | 67% | 0.668 | S | S | * | * | trans | -53.8 | 117.6 | 174.5 | -64 | -172.8 | -68.5 | -176.1 | -3.4 | 107.6 | A58 Q62 | A58-R60 PolarHBondContact O-N 2.85Å; R60-Q62 PolarHBondContact O-N 2.77Å | ||
| 61 | K | 76.1 | Confident | 74.9 | Confident | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 67% | 0.674 | S | S | * | * | trans | -44.9 | 111.3 | -173.9 | -81.7 | 85.1 | 171.4 | -178.5 | 0 | 109.9 | P59 R63 | P59-K61 PolarHBondContact O-N 3.25Å; P59-K61 VanDerWaalsContact O-N 3.1Å; K61-R63 PolarHBondContact O-N 3.4Å; K61-R63 VanDerWaalsContact O-N 3.1Å | ||
| 62 | Q | 81.4 | Confident | 77.1 | Confident | 153 Ų | 153 | 132.5 Ų | 132.5 | 72% | 0.715 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 120.9 | -173.7 | 177.1 | 59.7 | 11.9 | 0 | 0 | 109.5 | R60 R64 E65 | R60-Q62 PolarHBondContact O-N 2.77Å; Q62-R64 PolarHBondContact O-N 3.32Å; Q62-E65 PolarHBondContact NE2-OE1 3.48Å |
| 63 | R | 84.1 | Confident | 79.4 | Confident | 204 Ų | 204 | 130 Ų | 130 | 77% | 0.77 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.8 | -178.3 | -176.8 | -174.9 | -177.8 | -161.7 | 5.5 | 108.3 | K61 E65 | K61-R63 PolarHBondContact O-N 3.4Å; K61-R63 VanDerWaalsContact O-N 3.1Å; R63-E65 PolarHBondContact O-N 2.97Å |
| 64 | R | 84.2 | Confident | 81.5 | Confident | 214 Ų | 214 | 123.8 Ų | 123.8 | 81% | 0.808 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.4 | -178 | -159.7 | 178.1 | -158 | 176.5 | 7.3 | 111 | Q62 | Q62-R64 PolarHBondContact O-N 3.32Š|
| 65 | E | 90.2 | Very high | 83.3 | Confident | 126 Ų | 126 | 119.8 Ų | 119.8 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 138.5 | -169.9 | -58.1 | -49.5 | 142 | 0 | 0 | 113.7 | Q62 R63 R105 | Q62-E65 PolarHBondContact NE2-OE1 3.48Å; R63-E65 PolarHBondContact O-N 2.97Å; E65-R105 PolarHBondContact O-NH1 3.09Å; E65-R105 PolarHBondContact O-NH2 2.87Å; E65-R105 VanDerWaalsContact O-NH2 3.07Å |
| 66 | R | 92.3 | Very high | 85.3 | Confident | 215 Ų | 215 | 118.2 Ų | 118.2 | 81% | 0.811 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 129.5 | -177.2 | -177.3 | -178.6 | -179.2 | -176.8 | 1.9 | 110.4 | ||
| 67 | T | 94.3 | Very high | 87.5 | Confident | 29 Ų | 29 | 114.3 Ų | 114.3 | 18% | 0.178 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 127.8 | 169.7 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | Y69 L101 R105 | T67-Y69 HydrophobicContact CG2-CD1 4.38Å; T67-Y69 HydrophobicContact CG2-CD2 4.44Å; T67-Y69 HydrophobicContact CG2-CE1 4.02Å; T67-Y69 HydrophobicContact CG2-CE2 4.07Å; T67-L101 HydrophobicContact CG2-CD1 3.96Å; T67-L101 HydrophobicContact CG2-CD2 3.68Å; T67-R105 WeakPolarHBondContact OG1-CD 3.32Å; T67-R105 PolarHBondContact OG1-NH1 2.82Å |
| 68 | T | 96.6 | Very high | 89.3 | Confident | 122 Ų | 122 | 112.1 Ų | 112.1 | 75% | 0.748 | 53% | 0.531 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 144 | 161.4 | -60.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 69 | Y | 97.1 | Very high | 90.9 | Very high | 53 Ų | 53 | 110.7 Ų | 110.7 | 21% | 0.208 | 52% | 0.519 | C | S | . | . | trans | -111.6 | 137.4 | -179.1 | -56.5 | -97.7 | 0 | 0 | 0 | 109.2 | T67 L74 L77 L101 R105 W109 | T67-Y69 HydrophobicContact CG2-CD1 4.38Å; T67-Y69 HydrophobicContact CG2-CD2 4.44Å; T67-Y69 HydrophobicContact CG2-CE1 4.02Å; T67-Y69 HydrophobicContact CG2-CE2 4.07Å; Y69-L74 HydrophobicContact CD2-CD2 4.46Å; Y69-L74 HydrophobicContact CG-CD2 4.02Å; Y69-L77 HydrophobicContact CD1-CD1 3.92Å; Y69-L77 HydrophobicContact CE1-CD1 3.99Å; Y69-L101 HydrophobicContact CD1-CD1 3.57Å; Y69-L101 HydrophobicContact CE1-CD1 3.42Å; Y69-L101 VanDerWaalsContact CE1-CD1 3.42Å; Y69-R105 PolarHBondContact OH-O 2.87Å; Y69-W109 AromaticContact CE1-CD1 3.96Å; Y69-W109 AromaticContact CZ-CD1 3.81Å | ||
| 70 | S | 98.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 105.9 Ų | 105.9 | 43% | 0.434 | 49% | 0.487 | S | S | . | . | trans | -75 | 165.3 | 168.6 | 84.3 | 0 | 0 | 0 | 0 | 110.9 | A72 Q73 L74 | S70-A72 PolarHBondContact O-N 2.78Å; S70-Q73 PolarHBondContact O-N 2.86Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.5Å; S70-L74 PolarHBondContact O-N 3Å; S70-L74 VanDerWaalsContact O-N 3.07Å | ||
| 71 | R | 98.2 | Very high | 94.1 | Very high | 174 Ų | 174 | 95.5 Ų | 95.5 | 66% | 0.657 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -56.8 | -52.1 | -180 | -177.3 | 64.4 | -143.3 | -154 | 7.4 | 111.7 | Q73 L74 D75 | R71-Q73 VanDerWaalsContact C-N 3.3Å; R71-Q73 PolarHBondContact O-N 3.33Å; R71-L74 WeakPolarHBondContact O-CA 3.41Å; R71-L74 WeakPolarHBondContact O-CB 3.32Å; R71-L74 PolarHBondContact O-N 2.87Å; R71-D75 WeakPolarHBondContact CG-OD2 3.45Å; R71-D75 IonicContact CZ-OD1 3.2Å; R71-D75 IonicContact NE-OD1 2.93Å; R71-D75 PolarHBondContact NE-OD1 3.18Å; R71-D75 IonicContact NE-OD2 3.16Å; R71-D75 PolarHBondContact NE-OD2 3.41Å; R71-D75 VanDerWaalsContact NE-OD2 3.16Å; R71-D75 IonicContact NH2-OD1 2.66Å; R71-D75 PolarHBondContact NH2-OD1 3.06Å; R71-D75 VanDerWaalsContact O-CG 3.32Å; R71-D75 PolarHBondContact O-N 3Å |
| 72 | A | 98.2 | Very high | 95.2 | Very high | 55 Ų | 55 | 89.8 Ų | 89.8 | 46% | 0.455 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.3 | -34.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S70 D75 M76 | S70-A72 PolarHBondContact O-N 2.78Å; A72-D75 PolarHBondContact O-N 3.17Å; A72-M76 HydrophobicContact CB-CE 4.45Å; A72-M76 WeakPolarHBondContact O-CE 3.48Å; A72-M76 WeakPolarHBondContact O-CG 3.45Å; A72-M76 PolarHBondContact O-N 3.35Å |
| 73 | Q | 98.5 | Very high | 96 | Very high | 36 Ų | 36 | 91.3 Ų | 91.3 | 17% | 0.168 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 173.4 | -65.5 | 175.9 | -39.6 | 0 | 0 | 111.5 | S70 R71 L77 I99 | S70-Q73 PolarHBondContact O-N 2.86Å; S70-Q73 WeakPolarHBondContact OG-CG 3.42Å; S70-Q73 PolarHBondContact OG-N 3.5Å; R71-Q73 VanDerWaalsContact C-N 3.3Å; R71-Q73 PolarHBondContact O-N 3.33Å; Q73-L77 WeakPolarHBondContact O-CB 3.49Å; Q73-L77 WeakPolarHBondContact O-CD1 3.32Å; Q73-L77 VanDerWaalsContact O-CG 3.25Å; Q73-L77 WeakPolarHBondContact O-CG 3.44Å; Q73-L77 PolarHBondContact O-N 2.86Å; Q73-L77 VanDerWaalsContact O-N 3.1Å; Q73-I99 HydrophobicContact CB-CB 4.36Å; Q73-I99 HydrophobicContact CG-CB 4.04Å; Q73-I99 PolarHBondContact NE2-O 3.19Å |
| 74 | L | 98.5 | Very high | 96.6 | Very high | 56 Ų | 56 | 83.6 Ų | 83.6 | 29% | 0.293 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 174.3 | -67.6 | 173.1 | 0 | 0 | 0 | 111.3 | Y69 S70 R71 M76 L77 E78 | Y69-L74 HydrophobicContact CD2-CD2 4.46Å; Y69-L74 HydrophobicContact CG-CD2 4.02Å; S70-L74 PolarHBondContact O-N 3Å; S70-L74 VanDerWaalsContact O-N 3.07Å; R71-L74 WeakPolarHBondContact O-CA 3.41Å; R71-L74 WeakPolarHBondContact O-CB 3.32Å; R71-L74 PolarHBondContact O-N 2.87Å; L74-M76 VanDerWaalsContact C-N 3.33Å; L74-M76 PolarHBondContact O-N 3.33Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-L77 VanDerWaalsContact O-N 3.12Å; L74-E78 WeakPolarHBondContact O-CG 3.5Å; L74-E78 PolarHBondContact O-N 2.84Å |
| 75 | D | 98.4 | Very high | 97.3 | Very high | 63 Ų | 63 | 78.9 Ų | 78.9 | 34% | 0.337 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.1 | -42.6 | 179.1 | -62.3 | -44.7 | 0 | 0 | 0 | 111.8 | R71 A72 E78 A79 | R71-D75 WeakPolarHBondContact CG-OD2 3.45Å; R71-D75 IonicContact CZ-OD1 3.2Å; R71-D75 IonicContact NE-OD1 2.93Å; R71-D75 PolarHBondContact NE-OD1 3.18Å; R71-D75 IonicContact NE-OD2 3.16Å; R71-D75 PolarHBondContact NE-OD2 3.41Å; R71-D75 VanDerWaalsContact NE-OD2 3.16Å; R71-D75 IonicContact NH2-OD1 2.66Å; R71-D75 PolarHBondContact NH2-OD1 3.06Å; R71-D75 VanDerWaalsContact O-CG 3.32Å; R71-D75 PolarHBondContact O-N 3Å; A72-D75 PolarHBondContact O-N 3.17Å; D75-E78 PolarHBondContact O-N 3.37Å; D75-A79 VanDerWaalsContact O-CB 3.28Å; D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 3.14Å |
| 76 | M | 98.2 | Very high | 97.6 | Very high | 74 Ų | 74 | 80.7 Ų | 80.7 | 37% | 0.365 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 172.8 | -78.7 | -173.6 | -90.1 | 0 | 0 | 113 | A72 L74 L80 I95 I99 | A72-M76 HydrophobicContact CB-CE 4.45Å; A72-M76 WeakPolarHBondContact O-CE 3.48Å; A72-M76 WeakPolarHBondContact O-CG 3.45Å; A72-M76 PolarHBondContact O-N 3.35Å; L74-M76 VanDerWaalsContact C-N 3.33Å; L74-M76 PolarHBondContact O-N 3.33Å; M76-L80 PolarHBondContact O-N 3.32Å; M76-L80 VanDerWaalsContact O-N 3.1Å; M76-I95 HydrophobicContact CB-CD1 4.21Å; M76-I99 HydrophobicContact CB-CG2 4.04Å; M76-I99 HydrophobicContact CE-CG2 3.97Å; M76-I99 HydrophobicContact SD-CG2 3.96Å |
| 77 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 177.2 | -73.9 | 166.8 | 0 | 0 | 0 | 112.5 | Y69 Q73 L74 F81 I95 I99 V106 W109 F110 | Y69-L77 HydrophobicContact CD1-CD1 3.92Å; Y69-L77 HydrophobicContact CE1-CD1 3.99Å; Q73-L77 WeakPolarHBondContact O-CB 3.49Å; Q73-L77 WeakPolarHBondContact O-CD1 3.32Å; Q73-L77 VanDerWaalsContact O-CG 3.25Å; Q73-L77 WeakPolarHBondContact O-CG 3.44Å; Q73-L77 PolarHBondContact O-N 2.86Å; Q73-L77 VanDerWaalsContact O-N 3.1Å; L74-L77 CarbonylContact O-C 3.59Å; L74-L77 PolarHBondContact O-N 3.32Å; L74-L77 VanDerWaalsContact O-N 3.12Å; L77-F81 WeakPolarHBondContact O-CB 3.4Å; L77-F81 PolarHBondContact O-N 3.49Å; L77-I95 HydrophobicContact CD2-CG1 4.35Å; L77-I95 HydrophobicContact CD2-CG2 4.38Å; L77-I99 HydrophobicContact CD1-CD1 3.86Å; L77-I99 HydrophobicContact CD2-CD1 3.84Å; L77-I99 HydrophobicContact CG-CD1 3.88Å; L77-V106 HydrophobicContact CD2-CG1 4.1Å; L77-V106 HydrophobicContact CD2-CG2 4.35Å; L77-W109 HydrophobicContact CB-CD2 4.07Å; L77-W109 HydrophobicContact CB-CE3 4.05Å; L77-W109 HydrophobicContact CB-CH2 3.71Å; L77-W109 HydrophobicContact CB-CZ2 3.68Å; L77-W109 HydrophobicContact CB-CZ3 3.89Å; L77-W109 HydrophobicContact CD1-CD2 3.94Å; L77-W109 HydrophobicContact CD1-CG 3.94Å; L77-W109 HydrophobicContact CD2-CD2 4.43Å; L77-W109 HydrophobicContact CD2-CE3 4.24Å; L77-W109 HydrophobicContact CG-CD2 4.39Å; L77-W109 WeakPolarHBondContact O-CH2 3.41Å; L77-F110 HydrophobicContact CD2-CE2 3.88Å |
| 78 | E | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 73.9 Ų | 73.9 | 35% | 0.346 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -73.6 | -35.7 | 176.6 | -62.9 | -145.5 | 136.1 | 0 | 0 | 112.2 | L74 D75 F81 A82 W109 R113 | L74-E78 WeakPolarHBondContact O-CG 3.5Å; L74-E78 PolarHBondContact O-N 2.84Å; D75-E78 PolarHBondContact O-N 3.37Å; E78-F81 PolarHBondContact O-N 3.07Å; E78-A82 PolarHBondContact O-N 3.15Å; E78-W109 HydrophobicContact CG-CH2 3.94Å; E78-W109 HydrophobicContact CG-CZ2 3.83Å; E78-R113 IonicContact OE1-CZ 2.62Å; E78-R113 IonicContact OE1-NE 2.73Å; E78-R113 PolarHBondContact OE1-NE 2.99Å; E78-R113 IonicContact OE1-NH2 2.71Å; E78-R113 PolarHBondContact OE1-NH2 3.01Å; E78-R113 IonicContact OE2-NH2 3.12Å |
| 79 | A | 98.3 | Very high | 98.2 | Very high | 56 Ų | 56 | 70.7 Ų | 70.7 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | D75 A82 K83 | D75-A79 VanDerWaalsContact O-CB 3.28Å; D75-A79 WeakPolarHBondContact O-CB 3.39Å; D75-A79 PolarHBondContact O-N 3.14Å; A79-A82 PolarHBondContact O-N 3.15Å; A79-K83 PolarHBondContact O-N 3.22Å |
| 80 | L | 98.2 | Very high | 98.2 | Very high | 22 Ų | 22 | 75 Ų | 75 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 172.3 | -177.4 | 61.3 | 0 | 0 | 0 | 111.8 | M76 A82 K83 T84 P87 I95 F110 | M76-L80 PolarHBondContact O-N 3.32Å; M76-L80 VanDerWaalsContact O-N 3.1Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 2.62Å; L80-K83 PolarHBondContact O-N 3.37Å; L80-K83 VanDerWaalsContact O-N 3.14Å; L80-T84 HydrophobicContact CD1-CG2 4.29Å; L80-T84 PolarHBondContact O-N 3.05Å; L80-P87 HydrophobicContact CD2-CB 4.31Å; L80-I95 HydrophobicContact CD2-CB 3.86Å; L80-I95 HydrophobicContact CD2-CG1 4.06Å; L80-I95 HydrophobicContact CD2-CG2 3.76Å; L80-F110 HydrophobicContact CB-CZ 4.12Å; L80-F110 HydrophobicContact CD2-CE2 4.16Å; L80-F110 HydrophobicContact CD2-CZ 3.85Å; L80-F110 HydrophobicContact CG-CZ 3.86Å |
| 81 | F | 98.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 75.1 Ų | 75.1 | 6% | 0.057 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.2 | -31.4 | 176.3 | -173.2 | -93.6 | 0 | 0 | 0 | 113.4 | L77 E78 T84 R85 W109 F110 R113 R114 | L77-F81 WeakPolarHBondContact O-CB 3.4Å; L77-F81 PolarHBondContact O-N 3.49Å; E78-F81 PolarHBondContact O-N 3.07Å; F81-T84 WeakPolarHBondContact CA-O 3.48Å; F81-T84 CarbonylContact O-C 3.43Å; F81-R85 HydrophobicContact CD1-CG 4.43Å; F81-R85 HydrophobicContact CD2-CB 4.42Å; F81-R85 HydrophobicContact CD2-CG 4.44Å; F81-R85 HydrophobicContact CE1-CG 3.99Å; F81-R85 HydrophobicContact CE2-CB 3.94Å; F81-R85 HydrophobicContact CE2-CG 4Å; F81-R85 HydrophobicContact CZ-CB 4.15Å; F81-R85 HydrophobicContact CZ-CG 3.76Å; F81-W109 HydrophobicContact CB-CH2 4.14Å; F81-W109 HydrophobicContact CB-CZ3 4.11Å; F81-W109 HydrophobicContact CD2-CZ3 4.28Å; F81-W109 HydrophobicContact CG-CZ3 4.48Å; F81-F110 HydrophobicContact CB-CE1 3.94Å; F81-F110 HydrophobicContact CB-CZ 4.34Å; F81-F110 AromaticContact CD2-CD1 3.81Å; F81-F110 HydrophobicContact CD2-CD1 3.81Å; F81-F110 AromaticContact CD2-CE1 3.74Å; F81-F110 HydrophobicContact CD2-CE1 3.74Å; F81-F110 HydrophobicContact CG-CE1 4.34Å; F81-R113 HydrophobicContact CD1-CG 4.1Å; F81-R113 HydrophobicContact CD2-CB 4.12Å; F81-R113 HydrophobicContact CD2-CG 3.73Å; F81-R113 HydrophobicContact CE1-CG 4.01Å; F81-R113 HydrophobicContact CE2-CB 3.91Å; F81-R113 HydrophobicContact CE2-CG 3.64Å; F81-R113 HydrophobicContact CG-CG 3.97Å; F81-R113 HydrophobicContact CZ-CB 4.42Å; F81-R113 HydrophobicContact CZ-CG 3.79Å; F81-R114 HydrophobicContact CE2-CG 3.94Å |
| 82 | A | 98.1 | Very high | 98.3 | Very high | 84 Ų | 84 | 68.7 Ų | 68.7 | 69% | 0.694 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | E78 A79 L80 | E78-A82 PolarHBondContact O-N 3.15Å; A79-A82 PolarHBondContact O-N 3.15Å; L80-A82 VanDerWaalsContact C-N 3.28Å; L80-A82 PolarHBondContact O-N 2.62Å |
| 83 | K | 97.8 | Very high | 98.3 | Very high | 186 Ų | 186 | 70 Ų | 70 | 81% | 0.809 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -71 | -48.5 | 173.6 | -66 | -178.8 | 179.1 | -172.2 | 0 | 112.2 | A79 L80 | A79-K83 PolarHBondContact O-N 3.22Å; L80-K83 PolarHBondContact O-N 3.37Å; L80-K83 VanDerWaalsContact O-N 3.14Å |
| 84 | T | 97.9 | Very high | 98.3 | Very high | 41 Ų | 41 | 72.8 Ų | 72.8 | 25% | 0.252 | 36% | 0.361 | S | S | . | . | trans | -146.9 | 129.5 | 174.1 | 176.6 | 0 | 0 | 0 | 0 | 112.3 | L80 F81 Y86 P87 L91 | L80-T84 HydrophobicContact CD1-CG2 4.29Å; L80-T84 PolarHBondContact O-N 3.05Å; F81-T84 WeakPolarHBondContact CA-O 3.48Å; F81-T84 CarbonylContact O-C 3.43Å; T84-Y86 PolarHBondContact O-N 2.94Å; T84-Y86 VanDerWaalsContact OG1-C 3.24Å; T84-Y86 PolarHBondContact OG1-N 3.45Å; T84-Y86 PolarHBondContact OG1-O 3.3Å; T84-P87 HydrophobicContact CG2-CB 4.02Å; T84-L91 HydrophobicContact CG2-CD1 4.26Å | ||
| 85 | R | 97.6 | Very high | 98.3 | Very high | 116 Ų | 116 | 70.9 Ų | 70.9 | 44% | 0.438 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -75.4 | -12.9 | 173 | -58.2 | -177.2 | -178.6 | 91.9 | -7.3 | 112.4 | F81 R114 | F81-R85 HydrophobicContact CD1-CG 4.43Å; F81-R85 HydrophobicContact CD2-CB 4.42Å; F81-R85 HydrophobicContact CD2-CG 4.44Å; F81-R85 HydrophobicContact CE1-CG 3.99Å; F81-R85 HydrophobicContact CE2-CB 3.94Å; F81-R85 HydrophobicContact CE2-CG 4Å; F81-R85 HydrophobicContact CZ-CB 4.15Å; F81-R85 HydrophobicContact CZ-CG 3.76Å; R85-R114 WeakPolarHBondContact O-CD 3.48Å; R85-R114 PolarHBondContact O-NH1 2.86Å |
| 86 | Y | 98.5 | Very high | 98.3 | Very high | 164 Ų | 164 | 68.1 Ų | 68.1 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -133.3 | 72.9 | -178.2 | -63.6 | -88.5 | 0 | 0 | 0 | 110 | T84 R114 | T84-Y86 PolarHBondContact O-N 2.94Å; T84-Y86 VanDerWaalsContact OG1-C 3.24Å; T84-Y86 PolarHBondContact OG1-N 3.45Å; T84-Y86 PolarHBondContact OG1-O 3.3Å; Y86-R114 VanDerWaalsContact CE1-NE 3.27Å |
| 87 | P | 97.9 | Very high | 98.3 | Very high | 6 Ų | 6 | 71.8 Ų | 71.8 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | trans | -67.4 | 134.4 | 174.2 | 28.5 | -35.6 | 0 | 0 | 0 | 111.1 | L80 T84 L91 R92 F110 | L80-P87 HydrophobicContact CD2-CB 4.31Å; T84-P87 HydrophobicContact CG2-CB 4.02Å; P87-L91 HydrophobicContact CB-CB 3.81Å; P87-L91 HydrophobicContact CB-CD1 4.39Å; P87-R92 HydrophobicContact CB-CG 3.86Å; P87-R92 HydrophobicContact CG-CG 3.67Å; P87-R92 PolarHBondContact O-NH1 3.42Å; P87-F110 VanDerWaalsContact CD-CE1 3.48Å; P87-F110 HydrophobicContact CG-CD1 3.63Å; P87-F110 HydrophobicContact CG-CD2 4Å; P87-F110 HydrophobicContact CG-CE1 3.56Å; P87-F110 HydrophobicContact CG-CE2 3.95Å; P87-F110 HydrophobicContact CG-CG 3.87Å; P87-F110 HydrophobicContact CG-CZ 3.75Å | ||
| 88 | D | 98.4 | Very high | 98.3 | Very high | 94 Ų | 94 | 77.6 Ų | 77.6 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | trans | -68.4 | 169.6 | 172 | -173.3 | 35.1 | 0 | 0 | 0 | 112.1 | F90 L91 R92 | D88-F90 VanDerWaalsContact C-N 3.35Å; D88-F90 PolarHBondContact O-N 3.37Å; D88-L91 PolarHBondContact O-N 2.82Å; D88-L91 VanDerWaalsContact O-N 3.17Å; D88-R92 WeakPolarHBondContact O-CG 3.48Å; D88-R92 PolarHBondContact O-N 3.46Å; D88-R92 PolarHBondContact O-NH1 2.73Å | ||
| 89 | I | 98.2 | Very high | 98.2 | Very high | 55 Ų | 55 | 74.2 Ų | 74.2 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -50 | -51.5 | -176.2 | -176 | 60.7 | 0 | 0 | 0 | 112.1 | L91 R92 E93 E103 | I89-L91 VanDerWaalsContact C-N 3.35Å; I89-L91 PolarHBondContact O-N 3.17Å; I89-R92 CarbonylContact O-C 3.58Å; I89-R92 WeakPolarHBondContact O-CA 3.37Å; I89-R92 PolarHBondContact O-N 2.96Å; I89-E93 HydrophobicContact CD1-CG 4.11Å; I89-E93 HydrophobicContact CG1-CG 4.36Å; I89-E93 WeakPolarHBondContact O-CG 3.44Å; I89-E93 PolarHBondContact O-N 3.32Å; I89-E103 HydrophobicContact CD1-CG 3.98Å |
| 90 | F | 98.2 | Very high | 98.2 | Very high | 145 Ų | 145 | 78.5 Ų | 78.5 | 64% | 0.636 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.9 | -41.7 | -179 | -56.8 | -68.6 | 0 | 0 | 0 | 112.7 | D88 R92 E93 E94 | D88-F90 VanDerWaalsContact C-N 3.35Å; D88-F90 PolarHBondContact O-N 3.37Å; F90-R92 VanDerWaalsContact C-N 3.32Å; F90-R92 PolarHBondContact O-N 3.08Å; F90-E93 PolarHBondContact O-N 3.01Å; F90-E94 WeakPolarHBondContact O-CB 3.4Å; F90-E94 PolarHBondContact O-N 3.3Å |
| 91 | L | 98.1 | Very high | 98.1 | Very high | 64 Ų | 64 | 78.9 Ų | 78.9 | 34% | 0.335 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.9 | -30.5 | 176 | -71.6 | 172.4 | 0 | 0 | 0 | 112.5 | T84 P87 D88 I89 I95 | T84-L91 HydrophobicContact CG2-CD1 4.26Å; P87-L91 HydrophobicContact CB-CB 3.81Å; P87-L91 HydrophobicContact CB-CD1 4.39Å; D88-L91 PolarHBondContact O-N 2.82Å; D88-L91 VanDerWaalsContact O-N 3.17Å; I89-L91 VanDerWaalsContact C-N 3.35Å; I89-L91 PolarHBondContact O-N 3.17Å; L91-I95 WeakPolarHBondContact O-CG2 3.33Å; L91-I95 PolarHBondContact O-N 3.14Å |
| 92 | R | 98.6 | Very high | 98.1 | Very high | 38 Ų | 38 | 82 Ų | 82 | 14% | 0.143 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -76.2 | -33.6 | 174.7 | -64.5 | -167.5 | -45.7 | -81.8 | -3.8 | 112 | P87 D88 I89 F90 I95 A96 E103 V106 | P87-R92 HydrophobicContact CB-CG 3.86Å; P87-R92 HydrophobicContact CG-CG 3.67Å; P87-R92 PolarHBondContact O-NH1 3.42Å; D88-R92 WeakPolarHBondContact O-CG 3.48Å; D88-R92 PolarHBondContact O-N 3.46Å; D88-R92 PolarHBondContact O-NH1 2.73Å; I89-R92 CarbonylContact O-C 3.58Å; I89-R92 WeakPolarHBondContact O-CA 3.37Å; I89-R92 PolarHBondContact O-N 2.96Å; F90-R92 VanDerWaalsContact C-N 3.32Å; F90-R92 PolarHBondContact O-N 3.08Å; R92-I95 WeakPolarHBondContact O-CG2 3.35Å; R92-A96 WeakPolarHBondContact O-CB 3.41Å; R92-A96 PolarHBondContact O-N 3.3Å; R92-E103 HydrophobicContact CB-CG 4.15Å; R92-E103 IonicContact CZ-OE1 3.2Å; R92-E103 IonicContact NE-OE1 2.7Å; R92-E103 PolarHBondContact NE-OE1 3.1Å; R92-E103 IonicContact NH2-OE1 2.78Å; R92-E103 PolarHBondContact NH2-OE1 2.77Å; R92-V106 HydrophobicContact CB-CG1 4.05Å; R92-V106 HydrophobicContact CG-CG1 4.13Å |
| 93 | E | 98.6 | Very high | 98.1 | Very high | 84 Ų | 84 | 80 Ų | 80 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -71.8 | -46 | 174.7 | -70.8 | 173.4 | 155.2 | 0 | 0 | 111.5 | I89 F90 I95 A96 M97 E103 | I89-E93 HydrophobicContact CD1-CG 4.11Å; I89-E93 HydrophobicContact CG1-CG 4.36Å; I89-E93 WeakPolarHBondContact O-CG 3.44Å; I89-E93 PolarHBondContact O-N 3.32Å; F90-E93 PolarHBondContact O-N 3.01Å; E93-I95 PolarHBondContact O-N 3.4Å; E93-A96 WeakPolarHBondContact O-CB 3Å; E93-A96 PolarHBondContact O-N 3.45Å; E93-M97 WeakPolarHBondContact O-CG 3.28Å; E93-M97 PolarHBondContact O-N 3.4Å; E93-E103 HydrophobicContact CG-CB 4.45Å; E93-E103 HydrophobicContact CG-CG 4.14Å |
| 94 | E | 98.5 | Very high | 98.1 | Very high | 93 Ų | 93 | 73.7 Ų | 73.7 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.9 | -48.3 | 176.1 | -170.6 | -154.1 | 143.2 | 0 | 0 | 111.7 | F90 K98 | F90-E94 WeakPolarHBondContact O-CB 3.4Å; F90-E94 PolarHBondContact O-N 3.3Å; E94-K98 HydrophobicContact CG-CD 4.45Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å; E94-K98 PolarHBondContact O-N 2.97Å; E94-K98 VanDerWaalsContact O-N 3.13Å; E94-K98 WeakPolarHBondContact OE1-CE 3.49Å; E94-K98 IonicContact OE1-NZ 3.8Å; E94-K98 PolarHBondContact OE1-NZ 3.42Å |
| 95 | I | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 74.3 Ų | 74.3 | 9% | 0.087 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -73.2 | -33.9 | 178.7 | -157.1 | 63.9 | 0 | 0 | 0 | 112 | M76 L77 L80 L91 R92 E93 K98 I99 V106 | M76-I95 HydrophobicContact CB-CD1 4.21Å; L77-I95 HydrophobicContact CD2-CG1 4.35Å; L77-I95 HydrophobicContact CD2-CG2 4.38Å; L80-I95 HydrophobicContact CD2-CB 3.86Å; L80-I95 HydrophobicContact CD2-CG1 4.06Å; L80-I95 HydrophobicContact CD2-CG2 3.76Å; L91-I95 WeakPolarHBondContact O-CG2 3.33Å; L91-I95 PolarHBondContact O-N 3.14Å; R92-I95 WeakPolarHBondContact O-CG2 3.35Å; E93-I95 PolarHBondContact O-N 3.4Å; I95-K98 PolarHBondContact O-N 3.18Å; I95-I99 HydrophobicContact CG1-CG2 4.39Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 WeakPolarHBondContact O-CG2 3.37Å; I95-I99 PolarHBondContact O-N 3.45Å; I95-V106 HydrophobicContact CG2-CB 4.46Å; I95-V106 HydrophobicContact CG2-CG1 3.58Å; I95-V106 HydrophobicContact CG2-CG2 4.05Å |
| 96 | A | 98.5 | Very high | 98.1 | Very high | 5 Ų | 5 | 68.8 Ų | 68.8 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | R92 E93 I99 N100 L101 V106 | R92-A96 WeakPolarHBondContact O-CB 3.41Å; R92-A96 PolarHBondContact O-N 3.3Å; E93-A96 WeakPolarHBondContact O-CB 3Å; E93-A96 PolarHBondContact O-N 3.45Å; A96-I99 PolarHBondContact O-N 2.95Å; A96-N100 PolarHBondContact O-N 3.13Å; A96-L101 CarbonylContact C-O 3.55Å; A96-L101 VanDerWaalsContact CB-O 3.24Å; A96-L101 WeakPolarHBondContact CB-O 3.48Å; A96-L101 PolarHBondContact O-N 3.39Å; A96-L101 VanDerWaalsContact O-O 3.1Å; A96-V106 HydrophobicContact CB-CG2 3.8Å |
| 97 | M | 98.2 | Very high | 98.1 | Very high | 150 Ų | 150 | 65.5 Ų | 65.5 | 74% | 0.739 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60.1 | -51.8 | 172.9 | -68.4 | 173.4 | 71.1 | 0 | 0 | 111.1 | E93 I99 N100 | E93-M97 WeakPolarHBondContact O-CG 3.28Å; E93-M97 PolarHBondContact O-N 3.4Å; M97-I99 VanDerWaalsContact C-N 3.27Å; M97-I99 PolarHBondContact O-N 2.91Å; M97-N100 PolarHBondContact O-N 3.31Å; M97-N100 VanDerWaalsContact O-N 3.1Å |
| 98 | K | 98.2 | Very high | 98.1 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 53% | 0.53 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -35.2 | -179.1 | -74.9 | 172.7 | 176.8 | -179.3 | 0 | 113.8 | E94 I95 | E94-K98 HydrophobicContact CG-CD 4.45Å; E94-K98 WeakPolarHBondContact O-CG 3.47Å; E94-K98 PolarHBondContact O-N 2.97Å; E94-K98 VanDerWaalsContact O-N 3.13Å; E94-K98 WeakPolarHBondContact OE1-CE 3.49Å; E94-K98 IonicContact OE1-NZ 3.8Å; E94-K98 PolarHBondContact OE1-NZ 3.42Å; I95-K98 PolarHBondContact O-N 3.18Å |
| 99 | I | 97.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -96.6 | 2.4 | 179.9 | 76.3 | -171.6 | 0 | 0 | 0 | 114 | Q73 M76 L77 I95 A96 M97 L101 V106 | Q73-I99 HydrophobicContact CB-CB 4.36Å; Q73-I99 HydrophobicContact CG-CB 4.04Å; Q73-I99 PolarHBondContact NE2-O 3.19Å; M76-I99 HydrophobicContact CB-CG2 4.04Å; M76-I99 HydrophobicContact CE-CG2 3.97Å; M76-I99 HydrophobicContact SD-CG2 3.96Å; L77-I99 HydrophobicContact CD1-CD1 3.86Å; L77-I99 HydrophobicContact CD2-CD1 3.84Å; L77-I99 HydrophobicContact CG-CD1 3.88Å; I95-I99 HydrophobicContact CG1-CG2 4.39Å; I95-I99 VanDerWaalsContact O-CG1 3.26Å; I95-I99 WeakPolarHBondContact O-CG1 3.38Å; I95-I99 WeakPolarHBondContact O-CG2 3.37Å; I95-I99 PolarHBondContact O-N 3.45Å; A96-I99 PolarHBondContact O-N 2.95Å; M97-I99 VanDerWaalsContact C-N 3.27Å; M97-I99 PolarHBondContact O-N 2.91Å; I99-L101 HydrophobicContact CD1-CB 4.36Å; I99-L101 HydrophobicContact CD1-CD1 3.88Å; I99-L101 HydrophobicContact CD1-CG 4.42Å; I99-L101 HydrophobicContact CG1-CB 3.97Å; I99-L101 HydrophobicContact CG1-CD1 4.02Å; I99-L101 HydrophobicContact CG1-CG 4.03Å; I99-V106 HydrophobicContact CD1-CG2 3.95Å |
| 100 | N | 98 | Very high | 98.1 | Very high | 145 Ų | 145 | 62.3 Ų | 62.3 | 78% | 0.775 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 49.1 | -176.5 | -66 | -84.7 | 0 | 0 | 0 | 113.9 | A96 M97 | A96-N100 PolarHBondContact O-N 3.13Å; M97-N100 PolarHBondContact O-N 3.31Å; M97-N100 VanDerWaalsContact O-N 3.1Å |
| 101 | L | 96.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 61.5 Ų | 61.5 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -132 | 154.9 | 174.4 | -68.1 | 177.4 | 0 | 0 | 0 | 111.1 | T67 Y69 A96 I99 | T67-L101 HydrophobicContact CG2-CD1 3.96Å; T67-L101 HydrophobicContact CG2-CD2 3.68Å; Y69-L101 HydrophobicContact CD1-CD1 3.57Å; Y69-L101 HydrophobicContact CE1-CD1 3.42Å; Y69-L101 VanDerWaalsContact CE1-CD1 3.42Å; A96-L101 CarbonylContact C-O 3.55Å; A96-L101 VanDerWaalsContact CB-O 3.24Å; A96-L101 WeakPolarHBondContact CB-O 3.48Å; A96-L101 PolarHBondContact O-N 3.39Å; A96-L101 VanDerWaalsContact O-O 3.1Å; I99-L101 HydrophobicContact CD1-CB 4.36Å; I99-L101 HydrophobicContact CD1-CD1 3.88Å; I99-L101 HydrophobicContact CD1-CG 4.42Å; I99-L101 HydrophobicContact CG1-CB 3.97Å; I99-L101 HydrophobicContact CG1-CD1 4.02Å; I99-L101 HydrophobicContact CG1-CG 4.03Å |
| 102 | P | 97.6 | Very high | 98.2 | Very high | 78 Ų | 78 | 62.8 Ų | 62.8 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | trans | -64.3 | 145.4 | 172 | -20.9 | 32.6 | 0 | 0 | 0 | 112.4 | S104 R105 V106 | P102-S104 PolarHBondContact O-N 2.89Å; P102-S104 VanDerWaalsContact O-N 3.08Å; P102-R105 HydrophobicContact CB-CG 4.36Å; P102-R105 HydrophobicContact CG-CG 4.31Å; P102-R105 WeakPolarHBondContact O-CB 3.44Å; P102-R105 PolarHBondContact O-N 3.13Å; P102-V106 PolarHBondContact O-N 3.01Å | ||
| 103 | E | 98.3 | Very high | 98.1 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 21% | 0.206 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -44.1 | -45.6 | 172.9 | -176.9 | -76.2 | 161 | 0 | 0 | 111.6 | I89 R92 E93 R105 V106 Q107 | I89-E103 HydrophobicContact CD1-CG 3.98Å; R92-E103 HydrophobicContact CB-CG 4.15Å; R92-E103 IonicContact CZ-OE1 3.2Å; R92-E103 IonicContact NE-OE1 2.7Å; R92-E103 PolarHBondContact NE-OE1 3.1Å; R92-E103 IonicContact NH2-OE1 2.78Å; R92-E103 PolarHBondContact NH2-OE1 2.77Å; E93-E103 HydrophobicContact CG-CB 4.45Å; E93-E103 HydrophobicContact CG-CG 4.14Å; E103-R105 PolarHBondContact O-N 2.88Å; E103-V106 CarbonylContact O-C 3.6Å; E103-V106 WeakPolarHBondContact O-CA 3.31Å; E103-V106 WeakPolarHBondContact O-CB 3.23Å; E103-V106 PolarHBondContact O-N 2.92Å; E103-Q107 PolarHBondContact O-N 3.22Å; E103-Q107 PolarHBondContact OE2-NE2 3.07Å |
| 104 | S | 97.7 | Very high | 98.1 | Very high | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.4 | -25 | -177.3 | 63.1 | 0 | 0 | 0 | 0 | 113.6 | P102 V108 | P102-S104 PolarHBondContact O-N 2.89Å; P102-S104 VanDerWaalsContact O-N 3.08Å; S104-V108 WeakPolarHBondContact O-CB 3.42Å; S104-V108 VanDerWaalsContact O-CG2 3.23Å; S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 3.47Å; S104-V108 VanDerWaalsContact O-N 3.08Å |
| 105 | R | 97.9 | Very high | 98.1 | Very high | 54 Ų | 54 | 58.7 Ų | 58.7 | 20% | 0.204 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -81.1 | -38.1 | 175.2 | -56.7 | -57.6 | 173.3 | 122.1 | -11.9 | 111.4 | E65 T67 Y69 P102 E103 V108 W109 | E65-R105 PolarHBondContact O-NH1 3.09Å; E65-R105 PolarHBondContact O-NH2 2.87Å; E65-R105 VanDerWaalsContact O-NH2 3.07Å; T67-R105 WeakPolarHBondContact OG1-CD 3.32Å; T67-R105 PolarHBondContact OG1-NH1 2.82Å; Y69-R105 PolarHBondContact OH-O 2.87Å; P102-R105 HydrophobicContact CB-CG 4.36Å; P102-R105 HydrophobicContact CG-CG 4.31Å; P102-R105 WeakPolarHBondContact O-CB 3.44Å; P102-R105 PolarHBondContact O-N 3.13Å; E103-R105 PolarHBondContact O-N 2.88Å; R105-V108 PolarHBondContact O-N 3.28Å; R105-W109 WeakPolarHBondContact O-CB 3.45Å; R105-W109 PolarHBondContact O-N 3.15Å |
| 106 | V | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 167.8 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | L77 R92 I95 A96 I99 P102 E103 V108 W109 F110 | L77-V106 HydrophobicContact CD2-CG1 4.1Å; L77-V106 HydrophobicContact CD2-CG2 4.35Å; R92-V106 HydrophobicContact CB-CG1 4.05Å; R92-V106 HydrophobicContact CG-CG1 4.13Å; I95-V106 HydrophobicContact CG2-CB 4.46Å; I95-V106 HydrophobicContact CG2-CG1 3.58Å; I95-V106 HydrophobicContact CG2-CG2 4.05Å; A96-V106 HydrophobicContact CB-CG2 3.8Å; I99-V106 HydrophobicContact CD1-CG2 3.95Å; P102-V106 PolarHBondContact O-N 3.01Å; E103-V106 CarbonylContact O-C 3.6Å; E103-V106 WeakPolarHBondContact O-CA 3.31Å; E103-V106 WeakPolarHBondContact O-CB 3.23Å; E103-V106 PolarHBondContact O-N 2.92Å; V106-V108 PolarHBondContact O-N 3.36Å; V106-W109 WeakPolarHBondContact O-CB 3.49Å; V106-W109 PolarHBondContact O-N 2.98Å; V106-W109 VanDerWaalsContact O-N 3.13Å; V106-F110 HydrophobicContact CG1-CD2 3.67Å; V106-F110 HydrophobicContact CG1-CE2 3.81Å; V106-F110 WeakPolarHBondContact O-CD2 3.32Å; V106-F110 PolarHBondContact O-N 3.33Å |
| 107 | Q | 98.2 | Very high | 97.9 | Very high | 96 Ų | 96 | 64.2 Ų | 64.2 | 45% | 0.449 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 177.5 | 177.3 | 169.3 | -143.6 | 0 | 0 | 112.7 | E103 K111 | E103-Q107 PolarHBondContact O-N 3.22Å; E103-Q107 PolarHBondContact OE2-NE2 3.07Å; Q107-K111 WeakPolarHBondContact O-CB 3.35Å; Q107-K111 PolarHBondContact O-N 3.39Å |
| 108 | V | 98.1 | Very high | 97.8 | Very high | 63 Ų | 63 | 64.1 Ų | 64.1 | 38% | 0.382 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 175 | 168 | 0 | 0 | 0 | 0 | 111.8 | S104 R105 V106 K111 N112 | S104-V108 WeakPolarHBondContact O-CB 3.42Å; S104-V108 VanDerWaalsContact O-CG2 3.23Å; S104-V108 WeakPolarHBondContact O-CG2 3.46Å; S104-V108 PolarHBondContact O-N 3.47Å; S104-V108 VanDerWaalsContact O-N 3.08Å; R105-V108 PolarHBondContact O-N 3.28Å; V106-V108 PolarHBondContact O-N 3.36Å; V108-K111 PolarHBondContact O-N 3.08Å; V108-N112 WeakPolarHBondContact O-CB 3.47Å; V108-N112 PolarHBondContact O-N 3.38Å; V108-N112 PolarHBondContact O-OD1 3.02Å |
| 109 | W | 98.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 175 | -175.4 | 102.1 | 0 | 0 | 0 | 111.2 | Y69 L77 E78 F81 R105 V106 K111 N112 R113 | Y69-W109 AromaticContact CE1-CD1 3.96Å; Y69-W109 AromaticContact CZ-CD1 3.81Å; L77-W109 HydrophobicContact CB-CD2 4.07Å; L77-W109 HydrophobicContact CB-CE3 4.05Å; L77-W109 HydrophobicContact CB-CH2 3.71Å; L77-W109 HydrophobicContact CB-CZ2 3.68Å; L77-W109 HydrophobicContact CB-CZ3 3.89Å; L77-W109 HydrophobicContact CD1-CD2 3.94Å; L77-W109 HydrophobicContact CD1-CG 3.94Å; L77-W109 HydrophobicContact CD2-CD2 4.43Å; L77-W109 HydrophobicContact CD2-CE3 4.24Å; L77-W109 HydrophobicContact CG-CD2 4.39Å; L77-W109 WeakPolarHBondContact O-CH2 3.41Å; E78-W109 HydrophobicContact CG-CH2 3.94Å; E78-W109 HydrophobicContact CG-CZ2 3.83Å; F81-W109 HydrophobicContact CB-CH2 4.14Å; F81-W109 HydrophobicContact CB-CZ3 4.11Å; F81-W109 HydrophobicContact CD2-CZ3 4.28Å; F81-W109 HydrophobicContact CG-CZ3 4.48Å; R105-W109 WeakPolarHBondContact O-CB 3.45Å; R105-W109 PolarHBondContact O-N 3.15Å; V106-W109 WeakPolarHBondContact O-CB 3.49Å; V106-W109 PolarHBondContact O-N 2.98Å; V106-W109 VanDerWaalsContact O-N 3.13Å; W109-K111 PolarHBondContact O-N 3.13Å; W109-N112 CarbonylContact O-C 3.41Å; W109-N112 PolarHBondContact O-N 3.44Å; W109-N112 VanDerWaalsContact O-N 3.12Å; W109-R113 HydrophobicContact CE3-CB 4.17Å; W109-R113 HydrophobicContact CH2-CB 4.04Å; W109-R113 HydrophobicContact CH2-CG 3.72Å; W109-R113 HydrophobicContact CZ2-CB 4.46Å; W109-R113 HydrophobicContact CZ2-CG 4.24Å; W109-R113 HydrophobicContact CZ3-CB 3.89Å; W109-R113 HydrophobicContact CZ3-CG 4Å; W109-R113 PolarHBondContact O-N 3.42Å |
| 110 | F | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 178.6 | -91.5 | -88.8 | 0 | 0 | 0 | 112.2 | L77 L80 F81 P87 V106 N112 R113 R114 | L77-F110 HydrophobicContact CD2-CE2 3.88Å; L80-F110 HydrophobicContact CB-CZ 4.12Å; L80-F110 HydrophobicContact CD2-CE2 4.16Å; L80-F110 HydrophobicContact CD2-CZ 3.85Å; L80-F110 HydrophobicContact CG-CZ 3.86Å; F81-F110 HydrophobicContact CB-CE1 3.94Å; F81-F110 HydrophobicContact CB-CZ 4.34Å; F81-F110 AromaticContact CD2-CD1 3.81Å; F81-F110 HydrophobicContact CD2-CD1 3.81Å; F81-F110 AromaticContact CD2-CE1 3.74Å; F81-F110 HydrophobicContact CD2-CE1 3.74Å; F81-F110 HydrophobicContact CG-CE1 4.34Å; P87-F110 VanDerWaalsContact CD-CE1 3.48Å; P87-F110 HydrophobicContact CG-CD1 3.63Å; P87-F110 HydrophobicContact CG-CD2 4Å; P87-F110 HydrophobicContact CG-CE1 3.56Å; P87-F110 HydrophobicContact CG-CE2 3.95Å; P87-F110 HydrophobicContact CG-CG 3.87Å; P87-F110 HydrophobicContact CG-CZ 3.75Å; V106-F110 HydrophobicContact CG1-CD2 3.67Å; V106-F110 HydrophobicContact CG1-CE2 3.81Å; V106-F110 WeakPolarHBondContact O-CD2 3.32Å; V106-F110 PolarHBondContact O-N 3.33Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 3.04Å; F110-R113 PolarHBondContact O-N 2.86Å; F110-R114 WeakPolarHBondContact O-CB 3.42Å; F110-R114 WeakPolarHBondContact O-CG 3.47Å; F110-R114 PolarHBondContact O-N 3.08Å |
| 111 | K | 98.3 | Very high | 97 | Very high | 127 Ų | 127 | 62.2 Ų | 62.2 | 55% | 0.552 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -58.5 | -45.2 | 172.9 | -173.7 | 176.6 | 67.9 | 176.2 | 0 | 111.5 | Q107 V108 W109 A115 | Q107-K111 WeakPolarHBondContact O-CB 3.35Å; Q107-K111 PolarHBondContact O-N 3.39Å; V108-K111 PolarHBondContact O-N 3.08Å; W109-K111 PolarHBondContact O-N 3.13Å; K111-A115 PolarHBondContact O-N 2.85Å |
| 112 | N | 98.3 | Very high | 96.7 | Very high | 92 Ų | 92 | 65.8 Ų | 65.8 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -70.6 | -38.3 | -179.9 | -66.3 | -6.1 | 0 | 0 | 0 | 112.1 | V108 W109 F110 A115 K116 | V108-N112 WeakPolarHBondContact O-CB 3.47Å; V108-N112 PolarHBondContact O-N 3.38Å; V108-N112 PolarHBondContact O-OD1 3.02Å; W109-N112 CarbonylContact O-C 3.41Å; W109-N112 PolarHBondContact O-N 3.44Å; W109-N112 VanDerWaalsContact O-N 3.12Å; F110-N112 VanDerWaalsContact C-N 3.33Å; F110-N112 PolarHBondContact O-N 3.04Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 2.8Å; N112-K116 PolarHBondContact O-N 3Å |
| 113 | R | 98.4 | Very high | 96.2 | Very high | 44 Ų | 44 | 69.5 Ų | 69.5 | 17% | 0.166 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -40.6 | 176 | -164.7 | 65.1 | 172.1 | 91.6 | -11.1 | 111.6 | E78 F81 W109 F110 C117 | E78-R113 IonicContact OE1-CZ 2.62Å; E78-R113 IonicContact OE1-NE 2.73Å; E78-R113 PolarHBondContact OE1-NE 2.99Å; E78-R113 IonicContact OE1-NH2 2.71Å; E78-R113 PolarHBondContact OE1-NH2 3.01Å; E78-R113 IonicContact OE2-NH2 3.12Å; F81-R113 HydrophobicContact CD1-CG 4.1Å; F81-R113 HydrophobicContact CD2-CB 4.12Å; F81-R113 HydrophobicContact CD2-CG 3.73Å; F81-R113 HydrophobicContact CE1-CG 4.01Å; F81-R113 HydrophobicContact CE2-CB 3.91Å; F81-R113 HydrophobicContact CE2-CG 3.64Å; F81-R113 HydrophobicContact CG-CG 3.97Å; F81-R113 HydrophobicContact CZ-CB 4.42Å; F81-R113 HydrophobicContact CZ-CG 3.79Å; W109-R113 HydrophobicContact CE3-CB 4.17Å; W109-R113 HydrophobicContact CH2-CB 4.04Å; W109-R113 HydrophobicContact CH2-CG 3.72Å; W109-R113 HydrophobicContact CZ2-CB 4.46Å; W109-R113 HydrophobicContact CZ2-CG 4.24Å; W109-R113 HydrophobicContact CZ3-CB 3.89Å; W109-R113 HydrophobicContact CZ3-CG 4Å; W109-R113 PolarHBondContact O-N 3.42Å; F110-R113 PolarHBondContact O-N 2.86Å; R113-C117 WeakPolarHBondContact O-CB 3.46Å; R113-C117 PolarHBondContact O-N 3.12Å |
| 114 | R | 98.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 74.6 Ų | 74.6 | 21% | 0.211 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -38.6 | 170.4 | -72.2 | -164.8 | -65.1 | -94.1 | 8.1 | 112.7 | F81 R85 Y86 F110 C117 R118 | F81-R114 HydrophobicContact CE2-CG 3.94Å; R85-R114 WeakPolarHBondContact O-CD 3.48Å; R85-R114 PolarHBondContact O-NH1 2.86Å; Y86-R114 VanDerWaalsContact CE1-NE 3.27Å; F110-R114 WeakPolarHBondContact O-CB 3.42Å; F110-R114 WeakPolarHBondContact O-CG 3.47Å; F110-R114 PolarHBondContact O-N 3.08Å; R114-C117 WeakPolarHBondContact O-CB 3.24Å; R114-C117 PolarHBondContact O-N 3.41Å; R114-R118 PolarHBondContact O-N 3.41Å; R114-R118 VanDerWaalsContact O-N 3.14Å |
| 115 | A | 98 | Very high | 94.5 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K111 N112 C117 R118 Q119 | K111-A115 PolarHBondContact O-N 2.85Å; N112-A115 WeakPolarHBondContact O-CB 3.26Å; N112-A115 PolarHBondContact O-N 2.8Å; A115-C117 VanDerWaalsContact C-N 3.29Å; A115-C117 PolarHBondContact O-N 2.94Å; A115-R118 PolarHBondContact O-N 3.19Å; A115-R118 VanDerWaalsContact O-N 3.15Å; A115-Q119 WeakPolarHBondContact O-CG 3.48Å; A115-Q119 PolarHBondContact O-N 2.7Å |
| 116 | K | 97.3 | Very high | 93 | Very high | 113 Ų | 113 | 77.2 Ų | 77.2 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 174.5 | -171.8 | 179.2 | 179.3 | -178.6 | 0 | 111.6 | N112 R118 Q119 Q120 | N112-K116 PolarHBondContact O-N 3Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-R118 PolarHBondContact O-N 2.95Å; K116-Q119 PolarHBondContact O-N 2.99Å; K116-Q120 HydrophobicContact CG-CG 4.41Å; K116-Q120 WeakPolarHBondContact O-CB 3.44Å; K116-Q120 VanDerWaalsContact O-CG 3.32Å; K116-Q120 WeakPolarHBondContact O-CG 3.25Å; K116-Q120 PolarHBondContact O-N 2.93Å |
| 117 | C | 95.3 | Very high | 91.3 | Very high | 25 Ų | 25 | 82.2 Ų | 82.2 | 17% | 0.169 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 176.9 | -169.7 | 0 | 0 | 0 | 0 | 113 | R113 R114 A115 A121 C170 | R113-C117 WeakPolarHBondContact O-CB 3.46Å; R113-C117 PolarHBondContact O-N 3.12Å; R114-C117 WeakPolarHBondContact O-CB 3.24Å; R114-C117 PolarHBondContact O-N 3.41Å; A115-C117 VanDerWaalsContact C-N 3.29Å; A115-C117 PolarHBondContact O-N 2.94Å; C117-A121 PolarHBondContact O-N 2.81Å; C117-C170 VanDerWaalsContact SG-SG 3.68Å |
| 118 | R | 96 | Very high | 89.5 | Confident | 147 Ų | 147 | 81.7 Ų | 81.7 | 56% | 0.555 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -70.9 | -40.4 | 176 | -67.9 | -164.8 | -53.8 | -85.2 | 1.4 | 112.4 | R114 A115 K116 Q120 A121 Q122 | R114-R118 PolarHBondContact O-N 3.41Å; R114-R118 VanDerWaalsContact O-N 3.14Å; A115-R118 PolarHBondContact O-N 3.19Å; A115-R118 VanDerWaalsContact O-N 3.15Å; K116-R118 VanDerWaalsContact C-N 3.35Å; K116-R118 PolarHBondContact O-N 2.95Å; R118-Q120 VanDerWaalsContact C-N 3.33Å; R118-Q120 PolarHBondContact O-N 3.44Å; R118-A121 WeakPolarHBondContact O-CB 3.33Å; R118-A121 PolarHBondContact O-N 3.33Å; R118-A121 VanDerWaalsContact O-N 3.17Å; R118-Q122 WeakPolarHBondContact O-CG 3.32Å; R118-Q122 PolarHBondContact O-N 2.71Å |
| 119 | Q | 93.9 | Very high | 87.6 | Confident | 111 Ų | 111 | 83.5 Ų | 83.5 | 52% | 0.519 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.4 | -69.4 | 167 | -24.7 | 0 | 0 | 111.4 | A115 K116 A121 Q122 Q123 | A115-Q119 WeakPolarHBondContact O-CG 3.48Å; A115-Q119 PolarHBondContact O-N 2.7Å; K116-Q119 PolarHBondContact O-N 2.99Å; Q119-A121 VanDerWaalsContact C-N 3.31Å; Q119-A121 PolarHBondContact O-N 3.05Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q119-Q123 VanDerWaalsContact O-CG 3.31Å; Q119-Q123 WeakPolarHBondContact O-CG 3.38Å; Q119-Q123 PolarHBondContact O-N 3.43Å |
| 120 | Q | 92.7 | Very high | 85.6 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 33% | 0.327 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.2 | -31 | 175.9 | -71.4 | 176.3 | -58.6 | 0 | 0 | 113 | K116 R118 R124 | K116-Q120 HydrophobicContact CG-CG 4.41Å; K116-Q120 WeakPolarHBondContact O-CB 3.44Å; K116-Q120 VanDerWaalsContact O-CG 3.32Å; K116-Q120 WeakPolarHBondContact O-CG 3.25Å; K116-Q120 PolarHBondContact O-N 2.93Å; R118-Q120 VanDerWaalsContact C-N 3.33Å; R118-Q120 PolarHBondContact O-N 3.44Å; Q120-R124 WeakPolarHBondContact O-CG 3.45Å |
| 121 | A | 91.5 | Very high | 83.5 | Confident | 50 Ų | 50 | 92.6 Ų | 92.6 | 41% | 0.413 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -46.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | C117 R118 Q119 Q123 R124 T125 | C117-A121 PolarHBondContact O-N 2.81Å; R118-A121 WeakPolarHBondContact O-CB 3.33Å; R118-A121 PolarHBondContact O-N 3.33Å; R118-A121 VanDerWaalsContact O-N 3.17Å; Q119-A121 VanDerWaalsContact C-N 3.31Å; Q119-A121 PolarHBondContact O-N 3.05Å; A121-Q123 VanDerWaalsContact C-N 3.3Å; A121-Q123 PolarHBondContact O-N 3.5Å; A121-R124 WeakPolarHBondContact O-CB 3.41Å; A121-R124 PolarHBondContact O-N 2.96Å; A121-T125 PolarHBondContact O-N 3.31Å |
| 122 | Q | 89.3 | Confident | 81.2 | Confident | 105 Ų | 105 | 90 Ų | 90 | 49% | 0.491 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 178 | -70.6 | 170.9 | -42.6 | 0 | 0 | 112.6 | R118 Q119 R124 T125 | R118-Q122 WeakPolarHBondContact O-CG 3.32Å; R118-Q122 PolarHBondContact O-N 2.71Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q122-R124 PolarHBondContact O-N 3.12Å; Q122-T125 PolarHBondContact O-N 3.1Å; Q122-T125 PolarHBondContact O-OG1 3.4Å; Q122-T125 VanDerWaalsContact O-OG1 3.08Å |
| 123 | Q | 86.8 | Confident | 78.8 | Confident | 156 Ų | 156 | 90.5 Ų | 90.5 | 73% | 0.729 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64.6 | -24.7 | 173.8 | -75 | 170.9 | -18.4 | 0 | 0 | 113.3 | Q119 A121 | Q119-Q123 VanDerWaalsContact O-CG 3.31Å; Q119-Q123 WeakPolarHBondContact O-CG 3.38Å; Q119-Q123 PolarHBondContact O-N 3.43Å; A121-Q123 VanDerWaalsContact C-N 3.3Å; A121-Q123 PolarHBondContact O-N 3.5Å |
| 124 | R | 83.2 | Confident | 76.4 | Confident | 152 Ų | 152 | 98.1 Ų | 98.1 | 57% | 0.574 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -84.6 | -22.7 | 176.9 | -71.7 | 174.5 | 171.4 | -147.7 | -12.6 | 113.4 | Q120 A121 Q122 G126 S169 | Q120-R124 WeakPolarHBondContact O-CG 3.45Å; A121-R124 WeakPolarHBondContact O-CB 3.41Å; A121-R124 PolarHBondContact O-N 2.96Å; Q122-R124 PolarHBondContact O-N 3.12Å; R124-G126 VanDerWaalsContact C-N 3.33Å; R124-S169 PolarHBondContact NH1-O 3.27Å; R124-S169 VanDerWaalsContact NH1-O 3.13Å; R124-S169 PolarHBondContact NH1-OG 3.47Å |
| 125 | T | 77.9 | Confident | 74 | Confident | 93 Ų | 93 | 105 Ų | 105 | 57% | 0.571 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -87.5 | 4.3 | -178.4 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | A121 Q122 T127 | A121-T125 PolarHBondContact O-N 3.31Å; Q122-T125 PolarHBondContact O-N 3.1Å; Q122-T125 PolarHBondContact O-OG1 3.4Å; Q122-T125 VanDerWaalsContact O-OG1 3.08Å; T125-T127 PolarHBondContact O-N 3.24Å; T125-T127 PolarHBondContact O-OG1 3.1Å; T125-T127 PolarHBondContact OG1-OG1 3.06Å |
| 126 | G | 65.4 | Low | 71.3 | Confident | 68 Ų | 68 | 109.4 Ų | 109.4 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 70.6 | -25.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R124 A128 | R124-G126 VanDerWaalsContact C-N 3.33Å; G126-A128 VanDerWaalsContact C-N 3.26Å; G126-A128 PolarHBondContact O-N 3.07Å |
| 127 | T | 63.7 | Low | 68.6 | Low | 105 Ų | 105 | 107.6 Ų | 107.6 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | trans | -72.9 | 72.9 | 176.5 | 44.5 | 0 | 0 | 0 | 0 | 111.9 | T125 P129 | T125-T127 PolarHBondContact O-N 3.24Å; T125-T127 PolarHBondContact O-OG1 3.1Å; T125-T127 PolarHBondContact OG1-OG1 3.06Å; T127-P129 WeakPolarHBondContact O-CD 3.41Å | ||
| 128 | A | 59.8 | Low | 65.9 | Low | 84 Ų | 84 | 112.8 Ų | 112.8 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | trans | -54.2 | 121.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | G126 A130 | G126-A128 VanDerWaalsContact C-N 3.26Å; G126-A128 PolarHBondContact O-N 3.07Å; A128-A130 PolarHBondContact O-N 3.07Å; A128-A130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | P | 59.1 | Low | 63.3 | Low | 102 Ų | 102 | 109.4 Ų | 109.4 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | trans | -66.8 | 115 | -179.8 | 26 | -32.7 | 0 | 0 | 0 | 108.9 | T127 A131 | T127-P129 WeakPolarHBondContact O-CD 3.41Å; P129-A131 VanDerWaalsContact C-N 3.33Å; P129-A131 PolarHBondContact O-N 2.78Å | ||
| 130 | A | 55.1 | Low | 61.1 | Low | 103 Ų | 103 | 111.8 Ų | 111.8 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | -65.6 | 88.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111 | A128 G132 | A128-A130 PolarHBondContact O-N 3.07Å; A128-A130 VanDerWaalsContact O-N 3.09Å; A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.99Å | ||
| 131 | A | 56.1 | Low | 58.8 | Low | 112 Ų | 112 | 113.6 Ų | 113.6 | 93% | 0.926 | 72% | 0.717 | S | S | * | * | trans | -77.9 | 68.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P129 | P129-A131 VanDerWaalsContact C-N 3.33Å; P129-A131 PolarHBondContact O-N 2.78Å | ||
| 132 | G | 48.2 | Very low | 56.8 | Low | 74 Ų | 74 | 118.9 Ų | 118.9 | 76% | 0.763 | 73% | 0.733 | S | S | * | * | trans | 132.3 | 87.3 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | A130 | A130-G132 VanDerWaalsContact C-N 3.26Å; A130-G132 PolarHBondContact O-N 2.99Å | ||
| 133 | A | 47.8 | Very low | 54.4 | Low | 102 Ų | 102 | 122.1 Ų | 122.1 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | trans | -147.7 | 108.2 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 134 | K | 48.7 | Very low | 52.5 | Low | 203 Ų | 203 | 123.6 Ų | 123.6 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -106.9 | 107.1 | 176.5 | -77 | -168.1 | 174.1 | -167 | 0 | 111.2 | ||||
| 135 | K | 48.8 | Very low | 50.4 | Low | 200 Ų | 200 | 123.3 Ų | 123.3 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | trans | -160.3 | 108.4 | 156.6 | -102.2 | 179.5 | 178 | -176.6 | 0 | 105.6 | ||||
| 136 | N | 40.9 | Very low | 49 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 66% | 0.658 | 77% | 0.774 | S | S | * | * | 66.3 | 108.5 | 57.3 | -156.3 | 0.3 | 0 | 0 | 0 | 112.5 | L297 | N136-L297 HydrophobicContact CB-CD1 3.52Å; N136-L297 HydrophobicContact CB-CD2 4.28Å; N136-L297 VanDerWaalsContact CG-CD1 3.5Å | |||
| 137 | G | 40.1 | Very low | 47.9 | Very low | 75 Ų | 75 | 129.6 Ų | 129.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 160.2 | 56.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 138 | N | 39 | Very low | 46.9 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | trans | -81.1 | 144.8 | 175.4 | -178.4 | 28.9 | 0 | 0 | 0 | 111.5 | ||||
| 139 | G | 41 | Very low | 46.3 | Very low | 76 Ų | 76 | 127.7 Ų | 127.7 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -168.5 | 98.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 140 | Q | 48 | Very low | 46.2 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -97.6 | 142.7 | -176.3 | -57.6 | 165.3 | -89.5 | 0 | 0 | 111.8 | ||||
| 141 | S | 44 | Very low | 46.2 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | -176.2 | 114.9 | 134.4 | -85.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 142 | Q | 49 | Very low | 45.9 | Very low | 160 Ų | 160 | 128.9 Ų | 128.9 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | 53.5 | 132.1 | 131.4 | -55.3 | -166.5 | 38.3 | 0 | 0 | 124.3 | ||||
| 143 | K | 40.6 | Very low | 46.3 | Very low | 174 Ų | 174 | 133 Ų | 133 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | trans | 67.3 | 112.5 | 140.2 | -74.3 | 178.5 | 174.3 | -177.6 | 0 | 120.8 | ||||
| 144 | Q | 46.7 | Very low | 46.3 | Very low | 186 Ų | 186 | 133.4 Ų | 133.4 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | -175 | -179.4 | 90.3 | -114 | 164.9 | -14.7 | 0 | 0 | 111.8 | |||||
| 145 | D | 38 | Very low | 46 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 71% | 0.713 | S | S | * | * | trans | -109.4 | 168 | -152.8 | -46.2 | -94.2 | 0 | 0 | 0 | 116.3 | ||||
| 146 | V | 49.5 | Very low | 45.7 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 83% | 0.83 | 71% | 0.711 | S | S | * | * | trans | 149.5 | 110.3 | 140.4 | 167.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 147 | E | 41.7 | Very low | 45.8 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 72% | 0.724 | 72% | 0.718 | S | S | * | * | trans | 42.7 | 139.5 | 144.3 | -155.1 | 159.3 | -174.6 | 0 | 0 | 124.9 | ||||
| 148 | G | 43.9 | Very low | 45.7 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -172.3 | -8.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 149 | T | 46.9 | Very low | 45.8 | Very low | 78 Ų | 78 | 138.2 Ų | 138.2 | 48% | 0.479 | 72% | 0.719 | S | S | . | * | trans | 69.5 | 116.9 | 158.3 | -69.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 150 | Q | 56.5 | Low | 45.6 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 49% | 0.491 | 72% | 0.717 | S | S | . | * | trans | 57.4 | 162.7 | 142.6 | -68 | -177.6 | 68.3 | 0 | 0 | 122 | H5 | H5-Q150 VanDerWaalsContact CG-O 3.3Å; H5-Q150 PolarHBondContact ND1-O 3.28Å; H5-Q150 VanDerWaalsContact ND1-O 3.1Å | ||
| 151 | K | 55.2 | Low | 45.1 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 54% | 0.543 | 72% | 0.718 | S | S | . | * | cis | -155 | 155.9 | -14.8 | -113.3 | -169.7 | -173.9 | -64.9 | 0 | 107.8 | H5 | H5-K151 WeakPolarHBondContact CE1-CA 3.4Å; H5-K151 PolarHBondContact CE1-N 3.45Å; H5-K151 PolarHBondContact CE1-O 3.18Å; H5-K151 PolarHBondContact ND1-N 3.46Å; H5-K151 VanDerWaalsContact ND1-N 3.15Å; H5-K151 WeakPolarHBondContact NE2-CA 2.99Å; H5-K151 PolarHBondContact NE2-N 3.21Å | ||
| 152 | E | 48.8 | Very low | 44.8 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 52% | 0.519 | 72% | 0.717 | S | S | . | * | cis | -165.2 | 167.6 | -17.7 | -142.6 | 154.8 | -125.2 | 0 | 0 | 112.7 | H5 | H5-E152 PolarHBondContact CE1-N 3.25Å; H5-E152 WeakPolarHBondContact NE2-CA 3.44Å; H5-E152 PolarHBondContact NE2-N 3.47Å | ||
| 153 | Q | 58 | Low | 44.1 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | trans | 26.8 | 151.4 | 147 | -81 | 170.3 | -19.4 | 0 | 0 | 125.3 | ||||
| 154 | T | 46.7 | Very low | 43.9 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 69% | 0.687 | 72% | 0.723 | S | S | * | * | cis | -153.4 | -129.1 | -24.1 | 13.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 155 | D | 42.1 | Very low | 43.6 | Very low | 140 Ų | 140 | 141.5 Ų | 141.5 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | cis | -165 | 179.9 | -1.7 | -135.8 | -61.1 | 0 | 0 | 0 | 113 | ||||
| 156 | E | 43.4 | Very low | 43.7 | Very low | 178 Ų | 178 | 140 Ų | 140 | 83% | 0.832 | 72% | 0.716 | S | S | * | * | trans | -111.9 | -178.3 | -178.8 | -54.1 | -172 | 103.2 | 0 | 0 | 112.4 | ||||
| 157 | E | 42.1 | Very low | 43.3 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | cis | -161 | -163.8 | 11.1 | -152.3 | -148.6 | -178.6 | 0 | 0 | 110.6 | ||||
| 158 | K | 38.2 | Very low | 43.5 | Very low | 182 Ų | 182 | 139.4 Ų | 139.4 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | 93.2 | 89.4 | 149.1 | -155.6 | 172.1 | -175.2 | 174 | 0 | 122.4 | ||||
| 159 | F | 42 | Very low | 43.8 | Very low | 164 Ų | 164 | 139.4 Ų | 139.4 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | 70.9 | 109.6 | 119.8 | -145.5 | -101.8 | 0 | 0 | 0 | 122.4 | |||||
| 160 | K | 36.8 | Very low | 44 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 73% | 0.726 | 69% | 0.691 | S | S | * | * | trans | 48.3 | 93.4 | 147.7 | -57.8 | -172.1 | -170.2 | 176.5 | 0 | 119.9 | ||||
| 161 | K | 37.5 | Very low | 43.5 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.787 | 71% | 0.708 | S | S | * | * | trans | -139.3 | 128.4 | 131.6 | -89.1 | -158.2 | 167.9 | -175 | 0 | 108.2 | ||||
| 162 | E | 36.7 | Very low | 43.1 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | 65.8 | 106.3 | 80.7 | -65.1 | 177.2 | 157.1 | 0 | 0 | 113 | |||||
| 163 | E | 34 | Very low | 42.8 | Very low | 190 Ų | 190 | 141 Ų | 141 | 89% | 0.888 | 73% | 0.727 | S | S | * | * | trans | 53.7 | 59.9 | 143.8 | -151.1 | 160.4 | -175 | 0 | 0 | 119.7 | ||||
| 164 | S | 37.9 | Very low | 42.1 | Very low | 106 Ų | 106 | 138.1 Ų | 138.1 | 74% | 0.741 | 73% | 0.731 | S | S | * | * | trans | -135.7 | 118.1 | 150.6 | 49.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 165 | I | 40.5 | Very low | 41.6 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | 56.2 | 75.9 | 65.2 | -49.4 | -177.8 | 0 | 0 | 0 | 111.6 | I167 | I165-I167 HydrophobicContact CG2-CD1 4.39Å; I165-I167 HydrophobicContact CG2-CG1 4Å | |||
| 166 | S | 39.9 | Very low | 41.7 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -134 | 72.2 | 151.3 | -88.9 | 0 | 0 | 0 | 0 | 109.5 | N168 | S166-N168 PolarHBondContact O-N 3.47Š| ||
| 167 | I | 41.3 | Very low | 41.7 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | trans | -50.2 | 123.7 | 153.9 | 9 | 172 | 0 | 0 | 0 | 108.3 | I165 | I165-I167 HydrophobicContact CG2-CD1 4.39Å; I165-I167 HydrophobicContact CG2-CG1 4Å | ||
| 168 | N | 45.5 | Very low | 41.9 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | 178.7 | 169.8 | 147.4 | -94.4 | -35.6 | 0 | 0 | 0 | 112.5 | S166 C170 | S166-N168 PolarHBondContact O-N 3.47Å; N168-C170 PolarHBondContact O-N 2.89Å | ||
| 169 | S | 50.4 | Low | 42.2 | Very low | 71 Ų | 71 | 131 Ų | 131 | 50% | 0.497 | 74% | 0.737 | S | S | . | * | S | Bend | trans | 80.6 | -19.5 | 172.1 | -151.6 | 0 | 0 | 0 | 0 | 119.4 | R124 | R124-S169 PolarHBondContact NH1-O 3.27Å; R124-S169 VanDerWaalsContact NH1-O 3.13Å; R124-S169 PolarHBondContact NH1-OG 3.47Å |
| 170 | C | 49.5 | Very low | 42.5 | Very low | 45 Ų | 45 | 131.6 Ų | 131.6 | 30% | 0.304 | 74% | 0.739 | S | S | . | * | S | Bend | trans | -100.1 | -10.5 | -172.7 | -59 | 0 | 0 | 0 | 0 | 116.7 | C117 N168 | C117-C170 VanDerWaalsContact SG-SG 3.68Å; N168-C170 PolarHBondContact O-N 2.89Å |
| 171 | Q | 46.2 | Very low | 43.1 | Very low | 178 Ų | 178 | 127.9 Ų | 127.9 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | trans | -103.4 | 117.6 | -178.7 | -68.1 | 177.8 | -3.3 | 0 | 0 | 110.3 | ||||
| 172 | S | 46.4 | Very low | 43.6 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | trans | -168.6 | 154.8 | 164 | -158.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 173 | V | 43.1 | Very low | 44 | Very low | 138 Ų | 138 | 122.6 Ų | 122.6 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | 54.6 | 100.9 | 172.6 | -61.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 174 | A | 44.8 | Very low | 44.8 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | -151.4 | 52.9 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | N | 35.6 | Very low | 45.4 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 90% | 0.904 | 73% | 0.73 | S | S | * | * | trans | -108.3 | 139.8 | 176.8 | -77.2 | 19.3 | 0 | 0 | 0 | 111.1 | ||||
| 176 | G | 43.5 | Very low | 45.7 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | trans | 130.3 | 134.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | T | 44 | Very low | 46.1 | Very low | 139 Ų | 139 | 121.2 Ų | 121.2 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | cis | -156.9 | 159.1 | 5.8 | 44.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 178 | A | 46.5 | Very low | 46.6 | Very low | 87 Ų | 87 | 120.8 Ų | 120.8 | 72% | 0.719 | 74% | 0.735 | S | S | * | * | trans | 69.1 | 150 | 169 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 179 | E | 44.8 | Very low | 46.6 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | cis | -158.1 | 164.5 | -10.6 | -119.4 | 175.9 | 122.8 | 0 | 0 | 110.9 | ||||
| 180 | K | 47.2 | Very low | 46.6 | Very low | 177 Ų | 177 | 123.5 Ų | 123.5 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | 30.1 | 111.1 | 163.1 | -85.1 | 173.7 | 169.5 | 169.1 | 0 | 120.2 | ||||
| 181 | S | 50.7 | Low | 46.7 | Very low | 89 Ų | 89 | 126.9 Ų | 126.9 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | 85 | 147 | 82.7 | 88.6 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 182 | D | 46.6 | Very low | 46.4 | Very low | 145 Ų | 145 | 123.2 Ų | 123.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | cis | -145.3 | 174.2 | 10.9 | -79 | -73.5 | 0 | 0 | 0 | 111.5 | ||||
| 183 | A | 46.3 | Very low | 46.3 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | trans | 57.7 | 120.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 184 | M | 50.3 | Low | 46.4 | Very low | 176 Ų | 176 | 127.1 Ų | 127.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | 67.1 | 132.2 | 50.6 | 101.3 | -169.2 | 160.6 | 0 | 0 | 113.7 | |||||
| 185 | V | 50 | Low | 46.2 | Very low | 124 Ų | 124 | 130 Ų | 130 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -161.4 | 163.2 | 2.9 | 73.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 186 | T | 46.5 | Very low | 46.2 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 68.3 | 149.4 | 162.1 | -63 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 187 | S | 50 | Low | 46.4 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | 172.6 | 144.7 | -42.9 | -94.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 188 | S | 51 | Low | 46.2 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | 66.8 | 151.6 | 179 | -52 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 189 | Q | 44.4 | Very low | 45.9 | Very low | 194 Ų | 194 | 132.5 Ų | 132.5 | 91% | 0.907 | 77% | 0.773 | S | S | * | * | cis | -140.3 | 171.1 | 9.4 | -156.6 | 166.5 | 46.3 | 0 | 0 | 110.5 | ||||
| 190 | A | 50.6 | Low | 45.9 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | -142.2 | 177.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 191 | P | 51.5 | Low | 45.6 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | cis | -133 | -153.6 | -50 | 39 | -22.6 | 0 | 0 | 0 | 111.4 | ||||
| 192 | S | 40.5 | Very low | 45.7 | Very low | 101 Ų | 101 | 134.3 Ų | 134.3 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 76.1 | 152.1 | 179.9 | 80.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 193 | I | 44 | Very low | 45.5 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | cis | -126.4 | 165.5 | 22.8 | 4.1 | -78.6 | 0 | 0 | 0 | 115.1 | ||||
| 194 | L | 46.7 | Very low | 45.4 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -9.3 | 137.5 | 157.7 | -62.9 | 160.2 | 0 | 0 | 0 | 118.9 | ||||
| 195 | N | 39.1 | Very low | 45.4 | Very low | 163 Ų | 163 | 134 Ų | 134 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | -162.9 | 166.6 | 100.4 | -158.8 | 12 | 0 | 0 | 0 | 112.3 | |||||
| 196 | S | 37.2 | Very low | 45 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | -132.5 | 133.8 | 173 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 197 | S | 47 | Very low | 44.7 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -162.3 | 164.4 | 156.4 | -159.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | Y | 38.7 | Very low | 44.4 | Very low | 226 Ų | 226 | 135.2 Ų | 135.2 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | trans | -96.8 | 150.6 | -175.6 | -67 | -104.6 | 0 | 0 | 0 | 112 | ||||
| 199 | G | 41.8 | Very low | 44 | Very low | 80 Ų | 80 | 135.4 Ų | 135.4 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -166.4 | 129.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 200 | Y | 43.2 | Very low | 44 | Very low | 229 Ų | 229 | 132.9 Ų | 132.9 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -97.3 | 139.4 | 178.7 | -111.5 | -104.3 | 0 | 0 | 0 | 111 | ||||
| 201 | S | 41.6 | Very low | 43.6 | Very low | 118 Ų | 118 | 135 Ų | 135 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | 170.8 | 140.4 | 128.7 | -78.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 202 | P | 53.4 | Low | 43.3 | Very low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | trans | -101.1 | 166 | 170.1 | 38.8 | -33.2 | 0 | 0 | 0 | 113.4 | ||||
| 203 | S | 42.6 | Very low | 43.8 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -151.9 | 174.6 | 165 | -163.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 204 | I | 43.7 | Very low | 44.2 | Very low | 163 Ų | 163 | 138 Ų | 138 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | -137.7 | 137.5 | -149 | -32 | 174.3 | 0 | 0 | 0 | 114 | ||||
| 205 | S | 49 | Very low | 44.3 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -170.1 | 135 | 154.3 | -124.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 206 | A | 43.6 | Very low | 44.7 | Very low | 86 Ų | 86 | 130.7 Ų | 130.7 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | 77.5 | 135.8 | 41.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 207 | C | 38.3 | Very low | 45.1 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 72% | 0.723 | 81% | 0.807 | S | S | * | * | cis | -170.8 | 170.3 | -9.6 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 208 | Q | 45.1 | Very low | 45.1 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 130.3 | 126.2 | 161.4 | -72.2 | 159.6 | 106.6 | 0 | 0 | 112.5 | ||||
| 209 | T | 41 | Very low | 45.6 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | cis | 83.7 | 116.4 | 48.8 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 210 | V | 46.4 | Very low | 46 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | -148.5 | -164.6 | 77.3 | -75.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 211 | V | 42 | Very low | 46.1 | Very low | 129 Ų | 129 | 129.5 Ų | 129.5 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -128.6 | 165 | -151.2 | -60.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 212 | N | 44.1 | Very low | 45.9 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | -148.6 | 158.1 | 140.6 | -162.7 | 5.4 | 0 | 0 | 0 | 110.2 | ||||
| 213 | T | 51.1 | Low | 45.1 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 63% | 0.632 | 79% | 0.789 | S | S | * | * | trans | -130.4 | 137 | -160.3 | 50.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 214 | N | 51.7 | Low | 44.9 | Very low | 165 Ų | 165 | 134.3 Ų | 134.3 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -145.6 | 99.1 | 142.5 | -85.9 | -51.8 | 0 | 0 | 0 | 105.9 | ||||
| 215 | A | 50.3 | Low | 44.7 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | 68.1 | 96 | 78.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 216 | G | 46.2 | Very low | 44.1 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | 169.8 | 55.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 217 | M | 46.3 | Very low | 43.8 | Very low | 172 Ų | 172 | 134.2 Ų | 134.2 | 85% | 0.847 | 79% | 0.786 | S | S | * | * | trans | 39.2 | 112.8 | 150.3 | -71.8 | -61.6 | -168.7 | 0 | 0 | 121.4 | ||||
| 218 | L | 46.8 | Very low | 44 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | 84.2 | 141.7 | 124.6 | -128.6 | 68.8 | 0 | 0 | 0 | 121.8 | |||||
| 219 | M | 50.4 | Low | 43.8 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | trans | 82.2 | 138.9 | 162.8 | -58 | -52.5 | -179.8 | 0 | 0 | 120.7 | ||||
| 220 | T | 48.6 | Very low | 44.1 | Very low | 135 Ų | 135 | 132 Ų | 132 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -112.2 | 178.4 | -161.2 | 14 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 221 | P | 46.7 | Very low | 44 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -101.3 | -171.5 | -142 | 41.5 | -41 | 0 | 0 | 0 | 116.1 | ||||
| 222 | R | 37.4 | Very low | 43.9 | Very low | 248 Ų | 248 | 130.7 Ų | 130.7 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | trans | 100.1 | 157.2 | 177.3 | -56.7 | 169.1 | 77.2 | 153.3 | 4.8 | 113.5 | ||||
| 223 | G | 35.5 | Very low | 44 | Very low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 76% | 0.764 | S | S | * | * | trans | 92.9 | 121.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 224 | L | 39.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | cis | 61.1 | 133.8 | 44.9 | -78.7 | 92.3 | 0 | 0 | 0 | 115.4 | ||||
| 225 | Q | 38.6 | Very low | 42.4 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 70.9 | 125.1 | 165.3 | -65.5 | 164.6 | 67.4 | 0 | 0 | 114.3 | ||||
| 226 | S | 37.3 | Very low | 41.9 | Very low | 118 Ų | 118 | 128.1 Ų | 128.1 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | cis | 90.8 | 126.4 | 43.9 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 227 | G | 37.7 | Very low | 41.7 | Very low | 65 Ų | 65 | 129.3 Ų | 129.3 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | trans | 78.4 | 162.2 | -166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 228 | S | 42.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | cis | -156.8 | 138.9 | -7.5 | -80.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 229 | C | 39.7 | Very low | 41.5 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | -177.6 | 143.9 | 123.6 | 54 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 230 | M | 46.9 | Very low | 41.6 | Very low | 135 Ų | 135 | 125.6 Ų | 125.6 | 67% | 0.665 | 75% | 0.752 | S | S | * | * | cis | -156.8 | 137.8 | -23 | -98.4 | -44.3 | 178.2 | 0 | 0 | 107 | ||||
| 231 | L | 44.3 | Very low | 41.4 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | trans | 59.7 | 153.8 | 134.8 | -53.3 | 178.9 | 0 | 0 | 0 | 120 | ||||
| 232 | T | 40.7 | Very low | 41.4 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | cis | -166 | 148.8 | -6.1 | 19.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 233 | T | 46.7 | Very low | 41.7 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | trans | 55.9 | 153.2 | 140.8 | 59.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 234 | N | 35.7 | Very low | 41.9 | Very low | 141 Ų | 141 | 121.4 Ų | 121.4 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | cis | -166.2 | 166.9 | -30.9 | -157.2 | 18.7 | 0 | 0 | 0 | 110.1 | ||||
| 235 | S | 33.2 | Very low | 42.4 | Very low | 98 Ų | 98 | 121.9 Ų | 121.9 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | trans | 2.2 | 117.8 | 157.4 | -57.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 236 | S | 40.4 | Very low | 42.6 | Very low | 106 Ų | 106 | 117.4 Ų | 117.4 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | -179.8 | 108.9 | 122.5 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 237 | S | 40.7 | Very low | 43 | Very low | 103 Ų | 103 | 116.8 Ų | 116.8 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | 95.6 | 129 | 53.7 | 66.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 238 | S | 42.9 | Very low | 43.1 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | trans | 67.5 | 149.9 | 177.9 | 79.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 239 | S | 47.1 | Very low | 43.2 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | cis | -162.8 | 156.2 | -19.5 | -100.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 240 | H | 52.8 | Low | 43.9 | Very low | 192 Ų | 192 | 126.5 Ų | 126.5 | 89% | 0.889 | 74% | 0.744 | S | S | * | * | trans | 64.1 | 154.6 | 177.5 | -42.2 | -71 | 0 | 0 | 0 | 114.9 | ||||
| 241 | G | 44 | Very low | 43.8 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 81% | 0.814 | 75% | 0.75 | S | S | * | * | cis | 140.9 | 124.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 242 | G | 45.6 | Very low | 43.8 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | 134.8 | 117.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 243 | A | 44.7 | Very low | 44.2 | Very low | 102 Ų | 102 | 125.6 Ų | 125.6 | 84% | 0.843 | 76% | 0.762 | S | S | * | * | trans | 33.1 | 113.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 244 | Y | 39 | Very low | 44.2 | Very low | 209 Ų | 209 | 126.6 Ų | 126.6 | 82% | 0.82 | 76% | 0.763 | S | S | * | * | trans | -63.8 | 127.1 | 158.6 | -178.2 | -82 | 0 | 0 | 0 | 113.8 | P246 | Y244-P246 HydrophobicContact CD1-CG 4.44Å; Y244-P246 VanDerWaalsContact CE1-CD 3.5Å; Y244-P246 HydrophobicContact CE1-CG 3.85Å | ||
| 245 | I | 50.8 | Low | 44.9 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -145.7 | 122.1 | 154.5 | -56.8 | -176.2 | 0 | 0 | 0 | 111.4 | ||||
| 246 | P | 42 | Very low | 45.6 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 51% | 0.513 | 76% | 0.761 | S | S | . | * | trans | -116.8 | -176.9 | 162.1 | 41.6 | -32.2 | 0 | 0 | 0 | 111.5 | Y244 | Y244-P246 HydrophobicContact CD1-CG 4.44Å; Y244-P246 VanDerWaalsContact CE1-CD 3.5Å; Y244-P246 HydrophobicContact CE1-CG 3.85Å | ||
| 247 | P | 45.5 | Very low | 45.5 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | -128 | 137.7 | -54.7 | 35.9 | -22 | 0 | 0 | 0 | 112.3 | |||||
| 248 | Q | 40.6 | Very low | 45.6 | Very low | 184 Ų | 184 | 134 Ų | 134 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -144.3 | 165 | 153.5 | -61.9 | -58.5 | -20.5 | 0 | 0 | 105.5 | ||||
| 249 | Y | 43.9 | Very low | 45.6 | Very low | 207 Ų | 207 | 135.4 Ų | 135.4 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | cis | -154.3 | -178.9 | 28.6 | -174.5 | -113.5 | 0 | 0 | 0 | 110.7 | ||||
| 250 | V | 53.7 | Low | 45.6 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -69.1 | 152 | -177.4 | -85.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 251 | P | 46 | Very low | 45.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | trans | -85.4 | 143.6 | -176.8 | 34.4 | -34.7 | 0 | 0 | 0 | 112.7 | ||||
| 252 | C | 43.4 | Very low | 45.2 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -131.7 | 152.4 | 163.6 | -96.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 253 | S | 49.3 | Very low | 45.5 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -44.7 | 126.6 | 175 | 44.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 254 | N | 47.3 | Very low | 45.6 | Very low | 144 Ų | 144 | 143.2 Ų | 143.2 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 5.7 | 134.6 | 126.5 | -152.1 | 10.8 | 0 | 0 | 0 | 117.6 | |||||
| 255 | V | 50 | Low | 46.1 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 59.5 | 153.6 | 173.2 | -78.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 256 | P | 47.4 | Very low | 46.1 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | cis | -131.3 | 141 | 17.7 | 38.4 | -20 | 0 | 0 | 0 | 118.9 | ||||
| 257 | Y | 38.5 | Very low | 46.6 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 61.6 | 149.8 | 132.5 | -82.7 | -77.6 | 0 | 0 | 0 | 125.4 | ||||
| 258 | Y | 42.3 | Very low | 47 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | trans | 52.8 | 104.3 | 155 | -66.6 | -57.5 | 0 | 0 | 0 | 120.5 | ||||
| 259 | T | 44.5 | Very low | 47.8 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | -114 | 129.7 | 140.6 | 51.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 260 | A | 46.2 | Very low | 48.5 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 63% | 0.628 | 77% | 0.768 | S | S | * | * | trans | 148.7 | 136.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 261 | E | 44.3 | Very low | 48 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 35.9 | 92 | 166.7 | 7.7 | -60.9 | 159.3 | 0 | 0 | 119.5 | ||||
| 262 | S | 45.1 | Very low | 48.4 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | -176.3 | 124.8 | 118.4 | -81.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 263 | P | 52.1 | Low | 48.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | trans | -92.9 | 127.8 | 178.3 | 34 | -30.4 | 0 | 0 | 0 | 111.9 | ||||
| 264 | Y | 45.4 | Very low | 48.7 | Very low | 220 Ų | 220 | 140.2 Ų | 140.2 | 86% | 0.863 | 77% | 0.774 | S | S | * | * | trans | -151.6 | 148.2 | 150.3 | -109.6 | -78.5 | 0 | 0 | 0 | 112.3 | ||||
| 265 | L | 50.3 | Low | 48.6 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | trans | -28.8 | 154.4 | 167.3 | -55.2 | 176.3 | 0 | 0 | 0 | 116.4 | ||||
| 266 | A | 49.8 | Very low | 48.5 | Very low | 83 Ų | 83 | 137.2 Ų | 137.2 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | cis | -178.3 | 179.2 | -10.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 267 | S | 52.2 | Low | 48.5 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | 73 | 142.6 | 152.5 | -156.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 268 | M | 54.7 | Low | 48.9 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | cis | -157.6 | 154.7 | -19.4 | -105.8 | -70.2 | 177.6 | 0 | 0 | 106.8 | ||||
| 269 | P | 57 | Low | 49.2 | Very low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -102.9 | 150.6 | -179.5 | 37.5 | -30.7 | 0 | 0 | 0 | 113.9 | ||||
| 270 | T | 58.7 | Low | 49.7 | Very low | 139 Ų | 139 | 129 Ų | 129 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -153.7 | 140.2 | 156.3 | 42.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 271 | N | 44.8 | Very low | 49.7 | Very low | 159 Ų | 159 | 135.5 Ų | 135.5 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | -161.1 | 100.2 | 166.1 | -175.5 | 26.3 | 0 | 0 | 0 | 111.7 | ||||
| 272 | P | 53.9 | Low | 50.3 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | trans | -143.4 | 91.5 | 180 | 37.5 | -16.6 | 0 | 0 | 0 | 116.3 | ||||
| 273 | F | 44.5 | Very low | 50.8 | Low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | trans | -163.1 | 112.8 | 150.9 | -136.5 | -116.6 | 0 | 0 | 0 | 107.7 | ||||
| 274 | V | 54.2 | Low | 51 | Low | 124 Ų | 124 | 137.9 Ų | 137.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 61.8 | 118.6 | 61.1 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 275 | G | 45.3 | Very low | 51.5 | Low | 59 Ų | 59 | 132.6 Ų | 132.6 | 61% | 0.608 | 77% | 0.771 | S | S | * | * | trans | 129.8 | 79.5 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 276 | T | 47.6 | Very low | 51.7 | Low | 134 Ų | 134 | 132 Ų | 132 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 74.6 | 148.2 | 137.6 | -7.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 277 | S | 48 | Very low | 52.2 | Low | 120 Ų | 120 | 132.2 Ų | 132.2 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | trans | 75.6 | 102.9 | 152.3 | -57 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 278 | G | 46.6 | Very low | 52.5 | Low | 78 Ų | 78 | 131 Ų | 131 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | 163.3 | 133 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 279 | A | 47.9 | Very low | 52.2 | Low | 96 Ų | 96 | 132 Ų | 132 | 79% | 0.793 | 75% | 0.75 | S | S | * | * | trans | 53.6 | 112.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 280 | M | 55.4 | Low | 52.3 | Low | 171 Ų | 171 | 132.3 Ų | 132.3 | 84% | 0.842 | 75% | 0.745 | S | S | * | * | trans | -70.4 | 140.7 | 161 | -66.7 | 177.6 | 172.1 | 0 | 0 | 111.7 | ||||
| 281 | Y | 45.5 | Very low | 52.3 | Low | 213 Ų | 213 | 131.2 Ų | 131.2 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -91.4 | 108.6 | 165.9 | -97.3 | -103.3 | 0 | 0 | 0 | 111 | ||||
| 282 | H | 57.9 | Low | 53.4 | Low | 154 Ų | 154 | 132.5 Ų | 132.5 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -72.1 | 151.7 | 171 | -84 | -100.2 | 0 | 0 | 0 | 112.1 | R284 | H282-R284 PolarHBondContact O-N 3.16Š| ||
| 283 | P | 55.8 | Low | 54 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | trans | -65.2 | 127.1 | 177.6 | 26.9 | -34.6 | 0 | 0 | 0 | 111.4 | T285 | P283-T285 PolarHBondContact O-N 2.66Å; P283-T285 VanDerWaalsContact O-N 3.14Å | ||
| 284 | R | 54.7 | Low | 55.2 | Low | 191 Ų | 191 | 132.1 Ų | 132.1 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -73.1 | 105.4 | 177.1 | -72.1 | -166.8 | -176.3 | -128.9 | 0.6 | 110.9 | H282 N288 | H282-R284 PolarHBondContact O-N 3.16Å; R284-N288 PolarHBondContact NH1-OD1 2.96Å | ||
| 285 | T | 57.8 | Low | 56 | Low | 110 Ų | 110 | 130.8 Ų | 130.8 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | -72.1 | 171.9 | 167.4 | 56 | 0 | 0 | 0 | 0 | 111.8 | P283 S287 N288 | P283-T285 PolarHBondContact O-N 2.66Å; P283-T285 VanDerWaalsContact O-N 3.14Å; T285-S287 PolarHBondContact O-N 3.23Å; T285-N288 PolarHBondContact O-ND2 2.81Å | ||
| 286 | V | 54.5 | Low | 56.6 | Low | 138 Ų | 138 | 136.6 Ų | 136.6 | 84% | 0.836 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -62.7 | -3.2 | -157.3 | -152.1 | 0 | 0 | 0 | 0 | 116.4 | N288 | V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 2.93Å |
| 287 | S | 58.9 | Low | 56.4 | Low | 87 Ų | 87 | 138.2 Ų | 138.2 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -68 | -23.3 | -169.3 | -149.1 | 0 | 0 | 0 | 0 | 115.4 | T285 Y289 L290 | T285-S287 PolarHBondContact O-N 3.23Å; S287-Y289 PolarHBondContact O-N 3.1Å; S287-L290 PolarHBondContact O-N 2.77Å |
| 288 | N | 58.3 | Low | 56.9 | Low | 88 Ų | 88 | 139.2 Ų | 139.2 | 47% | 0.471 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -66.5 | -7.3 | -168.8 | -74 | -103.9 | 0 | 0 | 0 | 115.1 | R284 T285 V286 | R284-N288 PolarHBondContact NH1-OD1 2.96Å; T285-N288 PolarHBondContact O-ND2 2.81Å; V286-N288 VanDerWaalsContact C-N 3.32Å; V286-N288 PolarHBondContact O-N 2.93Å |
| 289 | Y | 48.6 | Very low | 57.4 | Low | 191 Ų | 191 | 142.4 Ų | 142.4 | 75% | 0.749 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -97 | -6.6 | -178.4 | -133.3 | -91.2 | 0 | 0 | 0 | 115.1 | S287 W292 | S287-Y289 PolarHBondContact O-N 3.1Å; Y289-W292 PolarHBondContact O-NE1 3.1Å |
| 290 | L | 59.1 | Low | 57.9 | Low | 113 Ų | 113 | 144.9 Ų | 144.9 | 59% | 0.592 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -24.7 | 176.4 | -70.5 | 101 | 0 | 0 | 0 | 113.7 | S287 W292 K293 Y294 | S287-L290 PolarHBondContact O-N 2.77Å; L290-W292 PolarHBondContact O-N 3.41Å; L290-K293 WeakPolarHBondContact O-CA 3.47Å; L290-K293 WeakPolarHBondContact O-CB 3.15Å; L290-K293 PolarHBondContact O-N 2.85Å; L290-Y294 PolarHBondContact O-N 3.38Å |
| 291 | D | 59.7 | Low | 58.1 | Low | 117 Ų | 117 | 143.4 Ų | 143.4 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | -43.8 | -169.8 | -166 | 53.8 | 0 | 0 | 0 | 113.5 | K293 Y294 P295 | D291-K293 PolarHBondContact O-N 2.89Å; D291-K293 VanDerWaalsContact O-N 3.07Å; D291-Y294 PolarHBondContact O-N 3.27Å; D291-P295 WeakPolarHBondContact O-CD 3.01Å |
| 292 | W | 68.2 | Low | 58.9 | Low | 185 Ų | 185 | 139.1 Ų | 139.1 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -15.3 | 175.8 | 74.7 | -89.4 | 0 | 0 | 0 | 114.3 | Y289 L290 | Y289-W292 PolarHBondContact O-NE1 3.1Å; L290-W292 PolarHBondContact O-N 3.41Å |
| 293 | K | 66 | Low | 58.9 | Low | 128 Ų | 128 | 138.1 Ų | 138.1 | 56% | 0.557 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -25.8 | -172.6 | -160.2 | 171.4 | -178.5 | 178.3 | 0 | 113 | L290 D291 | L290-K293 WeakPolarHBondContact O-CA 3.47Å; L290-K293 WeakPolarHBondContact O-CB 3.15Å; L290-K293 PolarHBondContact O-N 2.85Å; D291-K293 PolarHBondContact O-N 2.89Å; D291-K293 VanDerWaalsContact O-N 3.07Å |
| 294 | Y | 68.4 | Low | 59.1 | Low | 166 Ų | 166 | 140 Ų | 140 | 65% | 0.651 | 69% | 0.685 | S | S | * | * | trans | -145.3 | 72.3 | 176.6 | -65.5 | -77.7 | 0 | 0 | 0 | 111.9 | L290 D291 M296 | L290-Y294 PolarHBondContact O-N 3.38Å; D291-Y294 PolarHBondContact O-N 3.27Å; Y294-M296 PolarHBondContact O-N 2.73Å; Y294-M296 VanDerWaalsContact O-N 3.15Å | ||
| 295 | P | 71.2 | Confident | 59.5 | Low | 97 Ų | 97 | 136.1 Ų | 136.1 | 63% | 0.63 | 68% | 0.682 | S | S | * | * | trans | -63 | 115.6 | 165.3 | 27.1 | -33 | 0 | 0 | 0 | 108.7 | D291 L297 | D291-P295 WeakPolarHBondContact O-CD 3.01Å; P295-L297 PolarHBondContact O-N 3.38Å; P295-L297 VanDerWaalsContact O-N 3.15Å | ||
| 296 | M | 59.5 | Low | 59.6 | Low | 180 Ų | 180 | 138.3 Ų | 138.3 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | trans | -66.1 | 104 | -159.6 | -73.6 | -91.8 | -75.4 | 0 | 0 | 114.8 | Y294 | Y294-M296 PolarHBondContact O-N 2.73Å; Y294-M296 VanDerWaalsContact O-N 3.15Å | ||
| 297 | L | 43.1 | Very low | 60.1 | Low | 169 Ų | 169 | 138.3 Ų | 138.3 | 89% | 0.885 | 67% | 0.669 | S | S | * | * | trans | -151.6 | 0 | 159.6 | -74 | 179.2 | 0 | 0 | 0 | 109.9 | N136 P295 | N136-L297 HydrophobicContact CB-CD1 3.52Å; N136-L297 HydrophobicContact CB-CD2 4.28Å; N136-L297 VanDerWaalsContact CG-CD1 3.5Å; P295-L297 PolarHBondContact O-N 3.38Å; P295-L297 VanDerWaalsContact O-N 3.15Å |
Retrieved 297 of 297 residues in 317.6 ms
(Link to these results)