| 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 | 50.2 | Low | 52.2 | Low | 250 Ų | 250 | 145.2 Ų | 145.2 | 100% | 1.232 | 84% | 0.839 | S | S | * | * | 0 | 116 | 0 | -67.4 | -172.1 | -172.2 | 0 | 0 | 107 | |||||
| 2 | A | 49.9 | Very low | 51.6 | Low | 99 Ų | 99 | 148.3 Ų | 148.3 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -88.5 | 140.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | V | 57.7 | Low | 51.1 | Low | 145 Ų | 145 | 149.4 Ų | 149.4 | 88% | 0.879 | 84% | 0.843 | S | S | * | * | trans | -124.3 | 124.1 | 164.9 | -69.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | E | 53.9 | Low | 50.2 | Low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 84% | 0.842 | S | S | * | * | trans | -69.4 | 151.8 | -167.8 | -67.8 | 171.4 | 130.5 | 0 | 0 | 113.1 | ||||
| 5 | A | 56.1 | Low | 50 | Low | 86 Ų | 86 | 145.6 Ų | 145.6 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | trans | -76.6 | 127.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | H7 | A5-H7 PolarHBondContact O-N 2.76Š| ||
| 6 | V | 61.3 | Low | 49.6 | Very low | 131 Ų | 131 | 147.3 Ų | 147.3 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | -88.1 | 103.1 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | H | 48.9 | Very low | 49.2 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 74% | 0.736 | 84% | 0.839 | S | S | * | * | trans | -79 | 124.1 | 164.3 | -84.2 | -103 | 0 | 0 | 0 | 109.5 | A5 | A5-H7 PolarHBondContact O-N 2.76Š| ||
| 8 | C | 50.1 | Low | 48.5 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -106 | 107.6 | 165.2 | -66.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 9 | N | 45.4 | Very low | 47.8 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 80% | 0.802 | 83% | 0.834 | S | S | * | * | trans | -78 | 139.8 | 178.9 | -80.5 | -84.3 | 0 | 0 | 0 | 111.5 | ||||
| 10 | L | 52.8 | Low | 47.1 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -71.2 | 128.9 | 167.9 | 179.8 | 72.7 | 0 | 0 | 0 | 110.5 | ||||
| 11 | S | 48.2 | Very low | 46.6 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 83% | 0.83 | S | S | * | * | trans | 173.7 | 125.8 | 144.8 | -179 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 12 | Q | 44.9 | Very low | 46.1 | Very low | 182 Ų | 182 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | 178.4 | 133.5 | 93.8 | -143 | 153.3 | 98.5 | 0 | 0 | 110.8 | |||||
| 13 | N | 45.1 | Very low | 45.3 | Very low | 163 Ų | 163 | 146.7 Ų | 146.7 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -53.5 | 142.4 | 175.2 | -70.2 | -12.5 | 0 | 0 | 0 | 113.1 | ||||
| 14 | G | 38.3 | Very low | 44.2 | Very low | 81 Ų | 81 | 148.5 Ų | 148.5 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -144.5 | 90.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 15 | I | 46.7 | Very low | 43.4 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 128 | 166.2 | 31.7 | 162.3 | 0 | 0 | 0 | 108.2 | ||||
| 16 | D | 43.6 | Very low | 42.3 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | trans | -145 | 129 | 150.4 | -105.6 | -54.1 | 0 | 0 | 0 | 111.1 | ||||
| 17 | H | 43 | Very low | 40.8 | Very low | 157 Ų | 157 | 149 Ų | 149 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -71.7 | 134.2 | 179.2 | -100.5 | -47.1 | 0 | 0 | 0 | 110.7 | ||||
| 18 | Q | 37.2 | Very low | 40.1 | Very low | 184 Ų | 184 | 148.7 Ų | 148.7 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 95.5 | 145.4 | -160.8 | 76.3 | 59.4 | 0 | 0 | 109.4 | ||||
| 19 | L | 35.6 | Very low | 39.5 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 73% | 0.728 | 81% | 0.806 | S | S | * | * | trans | -66.5 | 128.1 | 162.5 | -63.7 | 163.8 | 0 | 0 | 0 | 107.9 | ||||
| 20 | R | 33.5 | Very low | 39 | Very low | 208 Ų | 208 | 154.1 Ų | 154.1 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -138.8 | 104.6 | 155.2 | -167.2 | 171.3 | 177.4 | 146 | 0 | 108.7 | E22 | R20-E22 HydrophobicContact CG-CG 4.44Å; R20-E22 IonicContact CZ-OE1 3.18Å; R20-E22 IonicContact NE-OE1 2.73Å; R20-E22 PolarHBondContact NE-OE1 2.73Å; R20-E22 IonicContact NH2-OE1 2.76Å; R20-E22 PolarHBondContact NH2-OE1 3.47Å | ||
| 21 | A | 36.4 | Very low | 38 | Very low | 97 Ų | 97 | 152.8 Ų | 152.8 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -80.8 | 126.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 22 | E | 39.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 156.9 Ų | 156.9 | 69% | 0.687 | 82% | 0.817 | S | S | * | * | trans | -140.3 | 105.1 | 152.2 | -23.6 | -133.3 | 147.4 | 0 | 0 | 107.1 | R20 | R20-E22 HydrophobicContact CG-CG 4.44Å; R20-E22 IonicContact CZ-OE1 3.18Å; R20-E22 IonicContact NE-OE1 2.73Å; R20-E22 PolarHBondContact NE-OE1 2.73Å; R20-E22 IonicContact NH2-OE1 2.76Å; R20-E22 PolarHBondContact NH2-OE1 3.47Å | ||
| 23 | D | 34.6 | Very low | 36.9 | Very low | 142 Ų | 142 | 156.7 Ų | 156.7 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | -82.7 | 130.9 | 166.8 | -176.6 | 14.6 | 0 | 0 | 0 | 106.9 | ||||
| 24 | M | 33.5 | Very low | 36.5 | Very low | 183 Ų | 183 | 156.2 Ų | 156.2 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | trans | -148.4 | 94 | 164.7 | -142.3 | 168 | -166 | 0 | 0 | 110 | ||||
| 25 | T | 36.3 | Very low | 36.4 | Very low | 117 Ų | 117 | 158.9 Ų | 158.9 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | trans | -66.7 | 135.5 | 162.2 | 42.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 26 | S | 34.3 | Very low | 35.7 | Very low | 117 Ų | 117 | 157.4 Ų | 157.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -150.3 | 104.2 | 155.7 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 27 | Q | 29.5 | Very low | 35.3 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -78.1 | -178.4 | 158.8 | -66.9 | 178.1 | -3.8 | 0 | 0 | 110 | ||||
| 28 | L | 34.4 | Very low | 35 | Very low | 153 Ų | 153 | 155.1 Ų | 155.1 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | trans | 102.4 | 94.5 | 174.6 | -53.6 | 177.2 | 0 | 0 | 0 | 111.2 | ||||
| 29 | E | 37.5 | Very low | 34.9 | Very low | 179 Ų | 179 | 150.6 Ų | 150.6 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | 55.4 | 110.1 | 74.9 | -68.7 | -171.9 | 166.8 | 0 | 0 | 112.1 | |||||
| 30 | E | 35.4 | Very low | 34.9 | Very low | 207 Ų | 207 | 150 Ų | 150 | 97% | 0.967 | 80% | 0.803 | S | S | * | * | trans | -156.8 | 129.3 | 142 | -107.8 | 165.4 | 161.8 | 0 | 0 | 108.5 | ||||
| 31 | D | 31.6 | Very low | 35.5 | Very low | 147 Ų | 147 | 147 Ų | 147 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | trans | -110.7 | 171.7 | -165.6 | -142.4 | -38.3 | 0 | 0 | 0 | 108.4 | ||||
| 32 | E | 37.9 | Very low | 36 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 79.5 | 139.8 | 164.5 | -32 | -140.8 | 117.3 | 0 | 0 | 114.9 | ||||
| 33 | E | 32 | Very low | 35.9 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | cis | -157.7 | 149.8 | 39.2 | -163.8 | -178.6 | 176.8 | 0 | 0 | 111.7 | ||||
| 34 | L | 37.2 | Very low | 36.5 | Very low | 153 Ų | 153 | 151 Ų | 151 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | -93.9 | 124.9 | -174.9 | -174.8 | 150.7 | 0 | 0 | 0 | 108.1 | ||||
| 35 | V | 35 | Very low | 36.9 | Very low | 137 Ų | 137 | 149 Ų | 149 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | trans | -123 | 107.5 | 167.4 | -71.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 36 | D | 32.7 | Very low | 37.4 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | -58.7 | 146.2 | 163.2 | 177.1 | 36.2 | 0 | 0 | 0 | 112.1 | E38 | D36-E38 PolarHBondContact OD1-N 3.41Š| ||
| 37 | A | 35.2 | Very low | 38.1 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -165.8 | 78 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 38 | E | 35.8 | Very low | 38.8 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -81.5 | 122.1 | 155.8 | -174.5 | 173.9 | 157.5 | 0 | 0 | 110 | D36 | D36-E38 PolarHBondContact OD1-N 3.41Š| ||
| 39 | A | 34.8 | Very low | 39.6 | Very low | 89 Ų | 89 | 147.9 Ų | 147.9 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -163.5 | 107.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 40 | V | 37.2 | Very low | 40.3 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | 74.3 | 100.7 | 97.9 | -170.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 41 | L | 45.5 | Very low | 41 | Very low | 145 Ų | 145 | 141.5 Ų | 141.5 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 33.5 | 127.4 | 130.2 | -60.1 | -174.8 | 0 | 0 | 0 | 123.3 | ||||
| 42 | L | 45.8 | Very low | 41.9 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | 70.7 | 130.2 | 147.8 | -55 | 170.1 | 0 | 0 | 0 | 115.2 | ||||
| 43 | D | 38.1 | Very low | 42.5 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | -155.5 | 161.9 | 80.1 | -56.7 | -53.6 | 0 | 0 | 0 | 114.6 | |||||
| 44 | D | 46.7 | Very low | 43 | Very low | 158 Ų | 158 | 147.1 Ų | 147.1 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -74.9 | 130.5 | -177.7 | -177.6 | -121.2 | 0 | 0 | 0 | 114 | ||||
| 45 | D | 40.9 | Very low | 43.6 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -171.4 | 113.1 | 138.4 | -164.9 | -101.7 | 0 | 0 | 0 | 109.4 | ||||
| 46 | S | 48.4 | Very low | 44.3 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -103.2 | 144.1 | 170 | -83.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 47 | P | 49.4 | Very low | 44.8 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | -131.7 | 116.6 | 125.5 | 24 | -7.1 | 0 | 0 | 0 | 113.4 | |||||
| 48 | S | 44.1 | Very low | 45.6 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 38.6 | 95.7 | 138.4 | -151.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 49 | Y | 49.9 | Very low | 46.1 | Very low | 223 Ų | 223 | 151.2 Ų | 151.2 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -106.2 | 124.2 | 151.4 | -92.4 | -92 | 0 | 0 | 0 | 109.2 | D51 | Y49-D51 PolarHBondContact O-N 3.38Š| ||
| 50 | P | 52 | Low | 46.8 | Very low | 110 Ų | 110 | 157.5 Ų | 157.5 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 125.9 | 176.2 | -22.9 | 32.1 | 0 | 0 | 0 | 112.2 | L52 | P50-L52 PolarHBondContact O-N 3.28Å; P50-L52 VanDerWaalsContact O-N 3.12Å | ||
| 51 | D | 50.4 | Low | 47.5 | Very low | 141 Ų | 141 | 156.6 Ų | 156.6 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -48.5 | 102.2 | 170.4 | -177 | 12.7 | 0 | 0 | 0 | 112.4 | Y49 R53 | Y49-D51 PolarHBondContact O-N 3.38Å; D51-R53 PolarHBondContact OD1-N 3.18Å | ||
| 52 | L | 50.2 | Low | 48 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -103.3 | 76.4 | 161.4 | -72.4 | 174.7 | 0 | 0 | 0 | 109 | P50 R54 | P50-L52 PolarHBondContact O-N 3.28Å; P50-L52 VanDerWaalsContact O-N 3.12Å; L52-R54 PolarHBondContact O-N 3.21Å | ||
| 53 | R | 51.5 | Low | 48.2 | Very low | 214 Ų | 214 | 154.1 Ų | 154.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 22.1 | 95.7 | 143.6 | -68 | -169.4 | 173.4 | 171.3 | -0.1 | 115 | D51 P55 | D51-R53 PolarHBondContact OD1-N 3.18Å; R53-P55 VanDerWaalsContact O-CD 3.24Å; R53-P55 WeakPolarHBondContact O-CD 3.46Å | ||
| 54 | R | 42.9 | Very low | 48.7 | Very low | 239 Ų | 239 | 154.4 Ų | 154.4 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -57.2 | 121 | 155.2 | -83.9 | -176.5 | 178.9 | -166.7 | 0.3 | 108.3 | L52 S56 | L52-R54 PolarHBondContact O-N 3.21Å; R54-S56 PolarHBondContact O-N 3.01Å | ||
| 55 | P | 49.7 | Very low | 48.7 | Very low | 118 Ų | 118 | 158 Ų | 158 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | -62.8 | 112.9 | 167.3 | -18.5 | 32.3 | 0 | 0 | 0 | 107.5 | R53 Y57 | R53-P55 VanDerWaalsContact O-CD 3.24Å; R53-P55 WeakPolarHBondContact O-CD 3.46Å; P55-Y57 VanDerWaalsContact C-N 3.27Å; P55-Y57 PolarHBondContact O-N 3.49Å | ||
| 56 | S | 49.4 | Very low | 49.3 | Very low | 89 Ų | 89 | 155.3 Ų | 155.3 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -64.7 | 90.6 | 170.4 | 44.4 | 0 | 0 | 0 | 0 | 107.8 | R54 H58 | R54-S56 PolarHBondContact O-N 3.01Å; S56-H58 PolarHBondContact O-N 3.09Å; S56-H58 PolarHBondContact O-ND1 3.19Å; S56-H58 PolarHBondContact OG-CE1 2.97Å | ||
| 57 | Y | 41.8 | Very low | 49.1 | Very low | 204 Ų | 204 | 156.2 Ų | 156.2 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -64.1 | 94.9 | 163.8 | 56.5 | -93.3 | 0 | 0 | 0 | 106.7 | P55 R59 | P55-Y57 VanDerWaalsContact C-N 3.27Å; P55-Y57 PolarHBondContact O-N 3.49Å; Y57-R59 PolarHBondContact O-N 3.31Å | ||
| 58 | H | 53.9 | Low | 49.1 | Very low | 147 Ų | 147 | 156.4 Ų | 156.4 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | -66.6 | 95.9 | 164 | -69.8 | 46 | 0 | 0 | 0 | 104.5 | S56 R60 | S56-H58 PolarHBondContact O-N 3.09Å; S56-H58 PolarHBondContact O-ND1 3.19Å; S56-H58 PolarHBondContact OG-CE1 2.97Å; H58-R60 PolarHBondContact O-N 3.46Å | ||
| 59 | R | 44.8 | Very low | 49.4 | Very low | 229 Ų | 229 | 160.4 Ų | 160.4 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -67.4 | 82.7 | 167.9 | -173.6 | -176.2 | -86.8 | -127.7 | 2 | 106.1 | Y57 S61 | Y57-R59 PolarHBondContact O-N 3.31Å; R59-S61 PolarHBondContact O-N 3.12Å | ||
| 60 | R | 49.8 | Very low | 49.6 | Very low | 222 Ų | 222 | 154.3 Ų | 154.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 123.3 | 170.6 | -75.6 | 180 | 177.1 | -171 | -1.4 | 107.3 | H58 | H58-R60 PolarHBondContact O-N 3.46Š|
| 61 | S | 51.4 | Low | 49.6 | Very low | 106 Ų | 106 | 158.5 Ų | 158.5 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 133 | 167.7 | -46.5 | 0 | 0 | 0 | 0 | 108.9 | R59 | R59-S61 PolarHBondContact O-N 3.12Š|
| 62 | P | 56.6 | Low | 49.4 | Very low | 118 Ų | 118 | 159.2 Ų | 159.2 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 138.6 | 175.5 | -23.4 | 33.2 | 0 | 0 | 0 | 110.1 | H64 | P62-H64 PolarHBondContact O-N 3.38Š|
| 63 | P | 49.8 | Very low | 49.3 | Very low | 121 Ų | 121 | 157.3 Ų | 157.3 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64 | 127.7 | -179 | 26.1 | -30.6 | 0 | 0 | 0 | 108.9 | R65 | P63-R65 PolarHBondContact O-N 3.12Š|
| 64 | H | 49.3 | Very low | 49 | Very low | 172 Ų | 172 | 156.7 Ų | 156.7 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -48 | 106.7 | 167.5 | -168.4 | -98 | 0 | 0 | 0 | 108.2 | P62 S66 | P62-H64 PolarHBondContact O-N 3.38Å; H64-S66 PolarHBondContact ND1-OG 3.03Å; H64-S66 PolarHBondContact O-N 3.47Å | ||
| 65 | R | 47.3 | Very low | 49 | Very low | 232 Ų | 232 | 152.2 Ų | 152.2 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | -74.8 | 78.5 | 176.9 | -152.3 | -176.4 | -163.8 | 165.1 | 4.4 | 107 | P63 V67 | P63-R65 PolarHBondContact O-N 3.12Å; R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 PolarHBondContact O-N 3.14Å | ||
| 66 | S | 51.8 | Low | 49.2 | Very low | 85 Ų | 85 | 149.4 Ų | 149.4 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | trans | -63.5 | 95.1 | 168 | -55.1 | 0 | 0 | 0 | 0 | 107 | H64 S68 | H64-S66 PolarHBondContact ND1-OG 3.03Å; H64-S66 PolarHBondContact O-N 3.47Å; S66-S68 PolarHBondContact O-N 2.97Å | ||
| 67 | V | 45.2 | Very low | 49.1 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | trans | -70.7 | 108.3 | 164.1 | -96 | 0 | 0 | 0 | 0 | 106.4 | R65 E69 | R65-V67 VanDerWaalsContact C-N 3.3Å; R65-V67 PolarHBondContact O-N 3.14Å; V67-E69 PolarHBondContact O-N 3.11Å | ||
| 68 | S | 49.7 | Very low | 49.8 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -59.2 | 104.8 | 171.3 | -58.1 | 0 | 0 | 0 | 0 | 109 | S66 S70 | S66-S68 PolarHBondContact O-N 2.97Å; S68-S70 PolarHBondContact O-N 3.16Å; S68-S70 VanDerWaalsContact O-N 3.08Å | ||
| 69 | E | 50.2 | Low | 49.9 | Very low | 194 Ų | 194 | 147.5 Ų | 147.5 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -76.7 | 80.7 | 161.9 | -75.2 | -166.9 | 113 | 0 | 0 | 107.7 | V67 | V67-E69 PolarHBondContact O-N 3.11Š| ||
| 70 | S | 54.3 | Low | 50.6 | Low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | -149.8 | 103.3 | 168.7 | -64.6 | 0 | 0 | 0 | 0 | 106.2 | S68 | S68-S70 PolarHBondContact O-N 3.16Å; S68-S70 VanDerWaalsContact O-N 3.08Å | ||
| 71 | E | 50.7 | Low | 52.1 | Low | 197 Ų | 197 | 134 Ų | 134 | 92% | 0.921 | 73% | 0.727 | S | S | * | * | -158 | 127.7 | 123.4 | -75.4 | -125.1 | 125 | 0 | 0 | 109.1 | |||||
| 72 | L | 47.5 | Very low | 53.9 | Low | 156 Ų | 156 | 133.3 Ų | 133.3 | 82% | 0.817 | 71% | 0.711 | S | S | * | * | trans | -87.9 | 141.7 | -171.1 | -76 | 147.8 | 0 | 0 | 0 | 110.3 | ||||
| 73 | T | 47.2 | Very low | 55.7 | Low | 129 Ų | 129 | 130.1 Ų | 130.1 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | 52.1 | 76.8 | 134.8 | -29.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 74 | R | 45.7 | Very low | 57.9 | Low | 202 Ų | 202 | 124.4 Ų | 124.4 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | trans | -115.5 | 134.2 | 153.2 | -78 | -177.9 | 174.1 | 176.1 | -0.3 | 110.2 | G76 Y77 | R74-G76 PolarHBondContact O-N 2.85Å; R74-Y77 PolarHBondContact O-N 2.81Å; R74-Y77 VanDerWaalsContact O-N 3.08Å | ||
| 75 | P | 43.3 | Very low | 60.1 | Low | 144 Ų | 144 | 118.9 Ų | 118.9 | 94% | 0.935 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 106.2 | 172.3 | 0.7 | 13.9 | 0 | 0 | 0 | 108 | ||
| 76 | G | 52.6 | Low | 62.5 | Low | 60 Ų | 60 | 113 Ų | 113 | 62% | 0.619 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.5 | -16 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | R74 V78 Q164 | R74-G76 PolarHBondContact O-N 2.85Å; G76-V78 PolarHBondContact O-N 2.72Å; G76-Q164 PolarHBondContact O-OE1 3.33Å |
| 77 | Y | 48.8 | Very low | 64.6 | Low | 158 Ų | 158 | 110.9 Ų | 110.9 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | trans | -76.6 | 94.9 | 175.4 | -152.7 | -98.3 | 0 | 0 | 0 | 109.7 | R74 K79 L80 | R74-Y77 PolarHBondContact O-N 2.81Å; R74-Y77 VanDerWaalsContact O-N 3.08Å; Y77-K79 PolarHBondContact O-N 3.36Å; Y77-L80 HydrophobicContact CE1-CG 4.44Å | ||
| 78 | V | 55.2 | Low | 67.1 | Low | 52 Ų | 52 | 107.8 Ų | 107.8 | 32% | 0.315 | 58% | 0.583 | S | S | . | * | trans | -56.8 | 106 | 166.3 | -77.8 | 0 | 0 | 0 | 0 | 107.7 | G76 L80 L161 | G76-V78 PolarHBondContact O-N 2.72Å; V78-L80 PolarHBondContact O-N 3.38Å; V78-L161 HydrophobicContact CG2-CD2 3.42Å; V78-L161 VanDerWaalsContact CG2-CD2 3.42Å; V78-L161 HydrophobicContact CG2-CG 4.48Å | ||
| 79 | K | 56.7 | Low | 69.4 | Low | 189 Ų | 189 | 105.3 Ų | 105.3 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | trans | -48 | 111.4 | -179.5 | -149.9 | 169.6 | -172.5 | 175.9 | 0 | 107.5 | Y77 S81 R157 | Y77-K79 PolarHBondContact O-N 3.36Å; K79-S81 PolarHBondContact O-N 3.28Å; K79-R157 PolarHBondContact O-NH1 3.16Å | ||
| 80 | L | 59.4 | Low | 71.6 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | trans | -73.4 | 70.2 | -172.6 | -69.4 | 177 | 0 | 0 | 0 | 109.1 | Y77 V78 K82 L161 | Y77-L80 HydrophobicContact CE1-CG 4.44Å; V78-L80 PolarHBondContact O-N 3.38Å; L80-K82 PolarHBondContact O-N 3.13Å; L80-L161 HydrophobicContact CD2-CD1 3.97Å; L80-L161 HydrophobicContact CD2-CD2 3.33Å; L80-L161 HydrophobicContact CD2-CG 4.31Å | ||
| 81 | S | 81 | Confident | 73.7 | Confident | 71 Ų | 71 | 99.1 Ų | 99.1 | 50% | 0.497 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 135.5 | 169.5 | 74.7 | 0 | 0 | 0 | 0 | 108.2 | K79 R157 | K79-S81 PolarHBondContact O-N 3.28Å; S81-R157 PolarHBondContact O-NH2 3.43Å; S81-R157 VanDerWaalsContact OG-CZ 3.24Å; S81-R157 PolarHBondContact OG-NH1 3.12Å |
| 82 | K | 89.7 | Confident | 75.9 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 40% | 0.4 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 125.6 | -175.8 | -176.1 | 179.9 | 178 | -161.4 | 0 | 109.8 | L80 L86 W87 D91 | L80-K82 PolarHBondContact O-N 3.13Å; K82-L86 HydrophobicContact CD-CB 4.37Å; K82-L86 VanDerWaalsContact CE-C 3.46Å; K82-L86 WeakPolarHBondContact CE-O 3.45Å; K82-L86 HydrophobicContact CG-CB 3.87Å; K82-L86 PolarHBondContact NZ-O 3.12Å; K82-W87 PolarHBondContact O-NE1 3.37Å; K82-D91 IonicContact NZ-OD2 3.12Å; K82-D91 PolarHBondContact NZ-OD2 2.96Å; K82-D91 VanDerWaalsContact NZ-OD2 3.12Å |
| 83 | P | 94.1 | Very high | 78.2 | Confident | 52 Ų | 52 | 83.1 Ų | 83.1 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 148.8 | -178.9 | 24.8 | -34.4 | 0 | 0 | 0 | 110.6 | A85 L86 W87 E154 | P83-A85 PolarHBondContact O-N 3.35Å; P83-A85 VanDerWaalsContact O-N 3.16Å; P83-L86 HydrophobicContact CG-CB 4.36Å; P83-L86 HydrophobicContact CG-CD1 3.61Å; P83-L86 HydrophobicContact CG-CG 3.86Å; P83-L86 PolarHBondContact O-N 3Å; P83-W87 VanDerWaalsContact O-CD1 3.23Å; P83-E154 WeakPolarHBondContact CA-OE1 3.47Å; P83-E154 WeakPolarHBondContact CB-OE1 3.39Å |
| 84 | V | 96.6 | Very high | 80.4 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -58.9 | -35.4 | -172.7 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | L86 W87 G118 M122 L150 E154 | V84-L86 PolarHBondContact O-N 2.81Å; V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CG1-CD2 4.09Å; V84-W87 HydrophobicContact CG1-CE3 4.01Å; V84-W87 HydrophobicContact CG1-CG 4.49Å; V84-W87 HydrophobicContact CG1-CZ3 4.35Å; V84-W87 HydrophobicContact CG2-CD2 4.33Å; V84-W87 HydrophobicContact CG2-CH2 4.05Å; V84-W87 HydrophobicContact CG2-CZ2 3.79Å; V84-W87 HydrophobicContact CG2-CZ3 4.42Å; V84-W87 VanDerWaalsContact O-CB 3.26Å; V84-W87 WeakPolarHBondContact O-CB 3.41Å; V84-W87 PolarHBondContact O-N 2.95Å; V84-G118 VanDerWaalsContact O-CA 3.26Å; V84-G118 WeakPolarHBondContact O-CA 3.23Å; V84-M122 HydrophobicContact CB-CG 4.22Å; V84-M122 HydrophobicContact CB-SD 4.14Å; V84-M122 HydrophobicContact CG1-CG 3.57Å; V84-M122 HydrophobicContact CG1-SD 3.68Å; V84-L150 HydrophobicContact CG1-CD2 3.98Å; V84-L150 HydrophobicContact CG2-CD1 3.78Å; V84-L150 HydrophobicContact CG2-CD2 4.16Å; V84-L150 HydrophobicContact CG2-CG 4Å; V84-E154 HydrophobicContact CB-CG 4.44Å; V84-E154 HydrophobicContact CG2-CB 4.44Å; V84-E154 HydrophobicContact CG2-CG 4.19Å; V84-E154 PolarHBondContact N-OE1 2.95Å |
| 85 | A | 95.5 | Very high | 82.8 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -59.4 | -21.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P83 R119 | P83-A85 PolarHBondContact O-N 3.35Å; P83-A85 VanDerWaalsContact O-N 3.16Å; A85-R119 HydrophobicContact CB-CG 4.41Å; A85-R119 WeakPolarHBondContact O-CG 3.16Å |
| 86 | L | 96.3 | Very high | 85.3 | Confident | 108 Ų | 108 | 66.8 Ų | 66.8 | 57% | 0.565 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -95.4 | -4.6 | 177.2 | -61.6 | -179 | 0 | 0 | 0 | 112.8 | K82 P83 V84 T88 | K82-L86 HydrophobicContact CD-CB 4.37Å; K82-L86 VanDerWaalsContact CE-C 3.46Å; K82-L86 WeakPolarHBondContact CE-O 3.45Å; K82-L86 HydrophobicContact CG-CB 3.87Å; K82-L86 PolarHBondContact NZ-O 3.12Å; P83-L86 HydrophobicContact CG-CB 4.36Å; P83-L86 HydrophobicContact CG-CD1 3.61Å; P83-L86 HydrophobicContact CG-CG 3.86Å; P83-L86 PolarHBondContact O-N 3Å; V84-L86 PolarHBondContact O-N 2.81Å; L86-T88 PolarHBondContact O-N 2.99Å |
| 87 | W | 97.8 | Very high | 87.2 | Confident | 41 Ų | 41 | 70.3 Ų | 70.3 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | trans | -62.4 | 132.5 | -178.1 | -72.8 | 12.8 | 0 | 0 | 0 | 111.7 | K82 P83 V84 D91 V92 W95 G118 L121 L150 | K82-W87 PolarHBondContact O-NE1 3.37Å; P83-W87 VanDerWaalsContact O-CD1 3.23Å; V84-W87 HydrophobicContact CB-CD2 4.35Å; V84-W87 HydrophobicContact CG1-CD2 4.09Å; V84-W87 HydrophobicContact CG1-CE3 4.01Å; V84-W87 HydrophobicContact CG1-CG 4.49Å; V84-W87 HydrophobicContact CG1-CZ3 4.35Å; V84-W87 HydrophobicContact CG2-CD2 4.33Å; V84-W87 HydrophobicContact CG2-CH2 4.05Å; V84-W87 HydrophobicContact CG2-CZ2 3.79Å; V84-W87 HydrophobicContact CG2-CZ3 4.42Å; V84-W87 VanDerWaalsContact O-CB 3.26Å; V84-W87 WeakPolarHBondContact O-CB 3.41Å; V84-W87 PolarHBondContact O-N 2.95Å; W87-D91 HydrophobicContact CB-CB 3.73Å; W87-D91 HydrophobicContact CD2-CB 4.21Å; W87-D91 HydrophobicContact CG-CB 3.88Å; W87-V92 HydrophobicContact CB-CG2 4.42Å; W87-V92 HydrophobicContact CE3-CG2 4.46Å; W87-W95 HydrophobicContact CE3-CB 4.42Å; W87-W95 HydrophobicContact CH2-CB 4.24Å; W87-W95 AromaticContact CH2-CD1 3.65Å; W87-W95 HydrophobicContact CH2-CG 4.06Å; W87-W95 HydrophobicContact CZ3-CB 3.61Å; W87-W95 AromaticContact CZ3-CD1 3.66Å; W87-W95 HydrophobicContact CZ3-CD2 4.4Å; W87-W95 AromaticContact CZ3-CG 3.59Å; W87-W95 HydrophobicContact CZ3-CG 3.59Å; W87-G118 PolarHBondContact O-N 3.17Å; W87-L121 HydrophobicContact CZ3-CD2 4.49Å; W87-L150 HydrophobicContact CH2-CD1 3.87Å; W87-L150 HydrophobicContact CH2-CD2 4.18Å; W87-L150 HydrophobicContact CZ3-CD1 4.43Å; W87-L150 HydrophobicContact CZ3-CD2 3.89Å | ||
| 88 | T | 97.6 | Very high | 89.4 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | trans | -75.4 | 169.3 | 171.4 | 63.1 | 0 | 0 | 0 | 0 | 110.4 | L86 Q90 D91 V92 | L86-T88 PolarHBondContact O-N 2.99Å; T88-Q90 PolarHBondContact O-N 2.86Å; T88-Q90 PolarHBondContact OG1-N 3.37Å; T88-D91 PolarHBondContact N-OD2 3.36Å; T88-D91 WeakPolarHBondContact O-CB 3.5Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 3.43Å; T88-D91 PolarHBondContact OG1-OD2 2.84Å; T88-V92 WeakPolarHBondContact O-CG2 3.45Å; T88-V92 PolarHBondContact O-N 3.37Å; T88-V92 VanDerWaalsContact O-N 3.08Å | ||
| 89 | Q | 97.7 | Very high | 91.1 | Very high | 57 Ų | 57 | 70.2 Ų | 70.2 | 27% | 0.266 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55 | -39.1 | 170.8 | -175.1 | -161.1 | 71.7 | 0 | 0 | 111.5 | D91 V92 C93 K112 D115 | Q89-D91 PolarHBondContact O-N 2.88Å; Q89-V92 WeakPolarHBondContact O-CB 3.23Å; Q89-V92 PolarHBondContact O-N 3.23Å; Q89-C93 PolarHBondContact O-N 2.91Å; Q89-C93 PolarHBondContact O-SG 3.39Å; Q89-C93 VanDerWaalsContact O-SG 3.34Å; Q89-K112 HydrophobicContact CG-CG 4.43Å; Q89-K112 PolarHBondContact NE2-O 3.42Å; Q89-D115 PolarHBondContact NE2-OD1 3.34Å |
| 90 | Q | 96.9 | Very high | 92.8 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.6 | -42.7 | 177.3 | -169 | -172.9 | 24.6 | 0 | 0 | 112.3 | T88 V92 C93 K94 | T88-Q90 PolarHBondContact O-N 2.86Å; T88-Q90 PolarHBondContact OG1-N 3.37Å; Q90-V92 VanDerWaalsContact C-N 3.29Å; Q90-V92 PolarHBondContact O-N 3.08Å; Q90-C93 PolarHBondContact O-N 3.31Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 2.93Å |
| 91 | D | 96.9 | Very high | 94 | Very high | 39 Ų | 39 | 60.2 Ų | 60.2 | 21% | 0.209 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 176.9 | -61.9 | -39.4 | 0 | 0 | 0 | 110.6 | K82 W87 T88 Q89 K94 W95 | K82-D91 IonicContact NZ-OD2 3.12Å; K82-D91 PolarHBondContact NZ-OD2 2.96Å; K82-D91 VanDerWaalsContact NZ-OD2 3.12Å; W87-D91 HydrophobicContact CB-CB 3.73Å; W87-D91 HydrophobicContact CD2-CB 4.21Å; W87-D91 HydrophobicContact CG-CB 3.88Å; T88-D91 PolarHBondContact N-OD2 3.36Å; T88-D91 WeakPolarHBondContact O-CB 3.5Å; T88-D91 PolarHBondContact O-N 3.04Å; T88-D91 VanDerWaalsContact O-N 3.15Å; T88-D91 PolarHBondContact OG1-N 3.43Å; T88-D91 PolarHBondContact OG1-OD2 2.84Å; Q89-D91 PolarHBondContact O-N 2.88Å; D91-K94 PolarHBondContact O-N 3.11Å; D91-W95 WeakPolarHBondContact O-CB 3.19Å; D91-W95 PolarHBondContact O-N 2.95Å |
| 92 | V | 96.9 | Very high | 94 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | W87 T88 Q89 Q90 K94 W95 L96 F111 I116 L121 | W87-V92 HydrophobicContact CB-CG2 4.42Å; W87-V92 HydrophobicContact CE3-CG2 4.46Å; T88-V92 WeakPolarHBondContact O-CG2 3.45Å; T88-V92 PolarHBondContact O-N 3.37Å; T88-V92 VanDerWaalsContact O-N 3.08Å; Q89-V92 WeakPolarHBondContact O-CB 3.23Å; Q89-V92 PolarHBondContact O-N 3.23Å; Q90-V92 VanDerWaalsContact C-N 3.29Å; Q90-V92 PolarHBondContact O-N 3.08Å; V92-K94 VanDerWaalsContact C-N 3.32Å; V92-K94 PolarHBondContact O-N 3.44Å; V92-W95 WeakPolarHBondContact O-CB 3.36Å; V92-W95 PolarHBondContact O-N 3.15Å; V92-L96 HydrophobicContact CG1-CD1 4.42Å; V92-L96 PolarHBondContact O-N 3.03Å; V92-F111 HydrophobicContact CG1-CD1 3.82Å; V92-F111 HydrophobicContact CG1-CE1 4.37Å; V92-I116 HydrophobicContact CG1-CG2 4.41Å; V92-L121 HydrophobicContact CG1-CD1 4.27Å; V92-L121 HydrophobicContact CG1-CD2 4.25Å; V92-L121 HydrophobicContact CG2-CD2 4.26Å |
| 93 | C | 95.4 | Very high | 93.5 | Very high | 16 Ų | 16 | 62.9 Ų | 62.9 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 175.8 | -65.3 | 0 | 0 | 0 | 0 | 112 | Q89 Q90 W95 L96 K97 K112 | Q89-C93 PolarHBondContact O-N 2.91Å; Q89-C93 PolarHBondContact O-SG 3.39Å; Q89-C93 VanDerWaalsContact O-SG 3.34Å; Q90-C93 PolarHBondContact O-N 3.31Å; C93-W95 VanDerWaalsContact C-N 3.33Å; C93-W95 PolarHBondContact O-N 3.04Å; C93-L96 PolarHBondContact O-N 3.02Å; C93-K97 PolarHBondContact O-N 3.25Å; C93-K112 VanDerWaalsContact SG-CG 3.59Å |
| 94 | K | 94.9 | Very high | 92.9 | Very high | 121 Ų | 121 | 62.7 Ų | 62.7 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.3 | -74.3 | 174.3 | -178.2 | 169.9 | 0 | 111.3 | Q90 D91 V92 K97 K98 | Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 2.93Å; D91-K94 PolarHBondContact O-N 3.11Å; V92-K94 VanDerWaalsContact C-N 3.32Å; V92-K94 PolarHBondContact O-N 3.44Å; K94-K97 PolarHBondContact O-N 3.17Å; K94-K98 PolarHBondContact O-N 3.46Å |
| 95 | W | 95.4 | Very high | 92.4 | Very high | 12 Ų | 12 | 69 Ų | 69 | 5% | 0.045 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 176.2 | 176.7 | 84.9 | 0 | 0 | 0 | 111.8 | W87 D91 V92 C93 K97 K98 H99 L121 Q146 V147 L150 | W87-W95 HydrophobicContact CE3-CB 4.42Å; W87-W95 HydrophobicContact CH2-CB 4.24Å; W87-W95 AromaticContact CH2-CD1 3.65Å; W87-W95 HydrophobicContact CH2-CG 4.06Å; W87-W95 HydrophobicContact CZ3-CB 3.61Å; W87-W95 AromaticContact CZ3-CD1 3.66Å; W87-W95 HydrophobicContact CZ3-CD2 4.4Å; W87-W95 AromaticContact CZ3-CG 3.59Å; W87-W95 HydrophobicContact CZ3-CG 3.59Å; D91-W95 WeakPolarHBondContact O-CB 3.19Å; D91-W95 PolarHBondContact O-N 2.95Å; V92-W95 WeakPolarHBondContact O-CB 3.36Å; V92-W95 PolarHBondContact O-N 3.15Å; C93-W95 VanDerWaalsContact C-N 3.33Å; C93-W95 PolarHBondContact O-N 3.04Å; W95-K97 PolarHBondContact O-N 3.46Å; W95-K98 PolarHBondContact O-N 2.83Å; W95-K98 VanDerWaalsContact O-N 3.09Å; W95-H99 AromaticContact CD1-CD2 3.18Å; W95-H99 AromaticContact CD1-NE2 3.64Å; W95-H99 HydrophobicContact CD2-CB 4.47Å; W95-H99 AromaticContact CE2-CD2 3.76Å; W95-H99 AromaticContact CE2-CG 3.91Å; W95-H99 AromaticContact CG-CD2 3.85Å; W95-H99 HydrophobicContact CZ2-CB 4.1Å; W95-H99 AromaticContact NE1-CD2 3.1Å; W95-H99 PolarHBondContact NE1-CD2 3.42Å; W95-H99 AromaticContact NE1-CG 3.61Å; W95-H99 AromaticContact NE1-NE2 3.53Å; W95-H99 WeakPolarHBondContact O-CB 3.41Å; W95-H99 PolarHBondContact O-CD2 3.21Å; W95-H99 PolarHBondContact O-N 2.88Å; W95-L121 HydrophobicContact CD2-CD2 4.39Å; W95-L121 HydrophobicContact CE3-CD1 4.47Å; W95-L121 HydrophobicContact CE3-CD2 4.01Å; W95-L121 HydrophobicContact CZ3-CD1 4.07Å; W95-L121 HydrophobicContact CZ3-CD2 4.23Å; W95-Q146 HydrophobicContact CH2-CB 3.65Å; W95-Q146 HydrophobicContact CZ2-CB 3.85Å; W95-Q146 WeakPolarHBondContact CZ2-O 3.46Å; W95-V147 HydrophobicContact CH2-CG2 3.72Å; W95-V147 HydrophobicContact CZ3-CG2 4.13Å; W95-L150 HydrophobicContact CD2-CD2 4.27Å; W95-L150 HydrophobicContact CZ2-CB 4.04Å; W95-L150 HydrophobicContact CZ2-CD2 4.05Å |
| 96 | L | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 176 | -80.4 | 170.8 | 0 | 0 | 0 | 111.9 | V92 C93 K98 H99 C100 F111 | V92-L96 HydrophobicContact CG1-CD1 4.42Å; V92-L96 PolarHBondContact O-N 3.03Å; C93-L96 PolarHBondContact O-N 3.02Å; L96-K98 PolarHBondContact O-N 3.2Å; L96-H99 PolarHBondContact O-N 3Å; L96-C100 HydrophobicContact CD2-CB 4.48Å; L96-C100 CarbonylContact O-C 3.47Å; L96-C100 WeakPolarHBondContact O-CA 3.46Å; L96-C100 WeakPolarHBondContact O-CB 3.35Å; L96-C100 PolarHBondContact O-N 2.86Å; L96-F111 HydrophobicContact CD1-CB 3.97Å; L96-F111 HydrophobicContact CD1-CD1 3.66Å; L96-F111 HydrophobicContact CD1-CD2 3.95Å; L96-F111 HydrophobicContact CD1-CE1 4.05Å; L96-F111 HydrophobicContact CD1-CE2 4.3Å; L96-F111 HydrophobicContact CD1-CG 3.59Å; L96-F111 HydrophobicContact CD1-CZ 4.34Å; L96-F111 HydrophobicContact CD2-CZ 4.39Å |
| 97 | K | 93.7 | Very high | 91.9 | Very high | 134 Ų | 134 | 65.9 Ų | 65.9 | 58% | 0.583 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.8 | -34.8 | 177.6 | -174.6 | 173.7 | -177.2 | 177.2 | 0 | 112.6 | C93 K94 W95 | C93-K97 PolarHBondContact O-N 3.25Å; K94-K97 PolarHBondContact O-N 3.17Å; W95-K97 PolarHBondContact O-N 3.46Å |
| 98 | K | 93.9 | Very high | 91.7 | Very high | 161 Ų | 161 | 64.4 Ų | 64.4 | 70% | 0.7 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -80.1 | -40.4 | -179.7 | -177.4 | 175.1 | -179.3 | 175.4 | 0 | 113.1 | K94 W95 L96 | K94-K98 PolarHBondContact O-N 3.46Å; W95-K98 PolarHBondContact O-N 2.83Å; W95-K98 VanDerWaalsContact O-N 3.09Å; L96-K98 PolarHBondContact O-N 3.2Å |
| 99 | H | 92.5 | Very high | 91.6 | Very high | 46 Ų | 46 | 65.4 Ų | 65.4 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -102.1 | -19.2 | -168.2 | -73 | -81.9 | 0 | 0 | 0 | 114 | W95 L96 Q146 | W95-H99 AromaticContact CD1-CD2 3.18Å; W95-H99 AromaticContact CD1-NE2 3.64Å; W95-H99 HydrophobicContact CD2-CB 4.47Å; W95-H99 AromaticContact CE2-CD2 3.76Å; W95-H99 AromaticContact CE2-CG 3.91Å; W95-H99 AromaticContact CG-CD2 3.85Å; W95-H99 HydrophobicContact CZ2-CB 4.1Å; W95-H99 AromaticContact NE1-CD2 3.1Å; W95-H99 PolarHBondContact NE1-CD2 3.42Å; W95-H99 AromaticContact NE1-CG 3.61Å; W95-H99 AromaticContact NE1-NE2 3.53Å; W95-H99 WeakPolarHBondContact O-CB 3.41Å; W95-H99 PolarHBondContact O-CD2 3.21Å; W95-H99 PolarHBondContact O-N 2.88Å; L96-H99 PolarHBondContact O-N 3Å; H99-Q146 HydrophobicContact CB-CG 4.42Å |
| 100 | C | 90.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -129.1 | 65.1 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 110 | L96 N102 H104 Y107 | L96-C100 HydrophobicContact CD2-CB 4.48Å; L96-C100 CarbonylContact O-C 3.47Å; L96-C100 WeakPolarHBondContact O-CA 3.46Å; L96-C100 WeakPolarHBondContact O-CB 3.35Å; L96-C100 PolarHBondContact O-N 2.86Å; C100-N102 VanDerWaalsContact C-N 3.27Å; C100-N102 PolarHBondContact O-N 2.89Å; C100-H104 VanDerWaalsContact O-CB 3.29Å; C100-H104 WeakPolarHBondContact O-CB 3.5Å; C100-Y107 HydrophobicContact CB-CD2 4.26Å; C100-Y107 HydrophobicContact CB-CE2 4.44Å | ||
| 101 | P | 85.7 | Confident | 91.5 | Very high | 75 Ų | 75 | 57.7 Ų | 57.7 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | trans | -64.6 | -31.4 | -171.3 | 25.5 | -34.5 | 0 | 0 | 0 | 113.2 | Q103 H104 | P101-Q103 PolarHBondContact O-N 3.41Å; P101-H104 PolarHBondContact O-ND1 3.22Å; P101-H104 VanDerWaalsContact O-ND1 3.14Å | ||
| 102 | N | 80.6 | Confident | 91.4 | Very high | 119 Ų | 119 | 60.2 Ų | 60.2 | 64% | 0.636 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 117.4 | 177.3 | -60.9 | -18.5 | 0 | 0 | 0 | 109.2 | C100 H104 Y107 | C100-N102 VanDerWaalsContact C-N 3.27Å; C100-N102 PolarHBondContact O-N 2.89Å; N102-H104 PolarHBondContact O-N 2.99Å; N102-Y107 WeakPolarHBondContact O-CE2 3.45Å |
| 103 | Q | 79.5 | Confident | 91.4 | Very high | 100 Ų | 100 | 67.7 Ų | 67.7 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 28.6 | -179.5 | -65.4 | 164.1 | -48.2 | 0 | 0 | 114.8 | P101 Q105 I106 Y107 | P101-Q103 PolarHBondContact O-N 3.41Å; Q103-Q105 PolarHBondContact O-N 2.98Å; Q103-I106 HydrophobicContact CB-CD1 4.28Å; Q103-I106 HydrophobicContact CG-CD1 4.33Å; Q103-I106 PolarHBondContact O-N 3.34Å; Q103-I106 VanDerWaalsContact O-N 3.15Å; Q103-Y107 HydrophobicContact CB-CE2 4.3Å; Q103-Y107 PolarHBondContact O-N 2.91Å |
| 104 | H | 82.3 | Confident | 91.5 | Very high | 48 Ų | 48 | 70.2 Ų | 70.2 | 22% | 0.222 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55 | -28 | -179.8 | 70.4 | -84.6 | 0 | 0 | 0 | 114.2 | C100 P101 N102 S108 | C100-H104 VanDerWaalsContact O-CB 3.29Å; C100-H104 WeakPolarHBondContact O-CB 3.5Å; P101-H104 PolarHBondContact O-ND1 3.22Å; P101-H104 VanDerWaalsContact O-ND1 3.14Å; N102-H104 PolarHBondContact O-N 2.99Å; H104-S108 WeakPolarHBondContact O-CB 3.23Å; H104-S108 PolarHBondContact O-N 3.46Å; H104-S108 PolarHBondContact O-OG 3.16Å |
| 105 | Q | 86.2 | Confident | 91.6 | Very high | 134 Ų | 134 | 70 Ų | 70 | 63% | 0.626 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63 | -52.1 | 177.8 | -69.9 | -176.7 | 30.8 | 0 | 0 | 111.2 | Q103 Y107 S108 D109 | Q103-Q105 PolarHBondContact O-N 2.98Å; Q105-Y107 VanDerWaalsContact C-N 3.31Å; Q105-Y107 PolarHBondContact O-N 2.93Å; Q105-S108 PolarHBondContact O-N 3.34Å; Q105-S108 VanDerWaalsContact O-N 3.11Å; Q105-D109 PolarHBondContact O-N 3.06Å |
| 106 | I | 88.8 | Confident | 91.7 | Very high | 92 Ų | 92 | 69.6 Ų | 69.6 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.2 | -45.6 | -179.9 | -57.1 | 176.9 | 0 | 0 | 0 | 110.6 | Q103 S110 | Q103-I106 HydrophobicContact CB-CD1 4.28Å; Q103-I106 HydrophobicContact CG-CD1 4.33Å; Q103-I106 PolarHBondContact O-N 3.34Å; Q103-I106 VanDerWaalsContact O-N 3.15Å; I106-S110 WeakPolarHBondContact O-CB 3.07Å; I106-S110 PolarHBondContact O-N 2.64Å; I106-S110 VanDerWaalsContact O-N 3.08Å; I106-S110 PolarHBondContact O-OG 2.86Å |
| 107 | Y | 91.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 72.3 Ų | 72.3 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.9 | -43 | 178 | -51.2 | -34.8 | 0 | 0 | 0 | 111.8 | C100 N102 Q103 Q105 D109 S110 F111 I134 Q139 I143 | C100-Y107 HydrophobicContact CB-CD2 4.26Å; C100-Y107 HydrophobicContact CB-CE2 4.44Å; N102-Y107 WeakPolarHBondContact O-CE2 3.45Å; Q103-Y107 HydrophobicContact CB-CE2 4.3Å; Q103-Y107 PolarHBondContact O-N 2.91Å; Q105-Y107 VanDerWaalsContact C-N 3.31Å; Q105-Y107 PolarHBondContact O-N 2.93Å; Y107-D109 VanDerWaalsContact C-N 3.28Å; Y107-D109 PolarHBondContact O-N 3.05Å; Y107-S110 PolarHBondContact O-N 3.11Å; Y107-F111 WeakPolarHBondContact O-CB 3.48Å; Y107-F111 WeakPolarHBondContact O-CD2 3.31Å; Y107-F111 PolarHBondContact O-N 3.03Å; Y107-I134 HydrophobicContact CD1-CD1 3.8Å; Y107-I134 HydrophobicContact CD1-CG1 4.04Å; Y107-I134 HydrophobicContact CD1-CG2 4.48Å; Y107-I134 HydrophobicContact CE1-CD1 4.43Å; Y107-I134 HydrophobicContact CE1-CG1 4.4Å; Y107-I134 HydrophobicContact CE1-CG2 4.06Å; Y107-Q139 HydrophobicContact CE1-CB 4.28Å; Y107-Q139 VanDerWaalsContact OH-CB 3.32Å; Y107-Q139 WeakPolarHBondContact OH-CB 2.87Å; Y107-Q139 WeakPolarHBondContact OH-CG 3.49Å; Y107-Q139 PolarHBondContact OH-NE2 3.22Å; Y107-I143 HydrophobicContact CD1-CD1 3.84Å; Y107-I143 HydrophobicContact CD2-CD1 4.06Å; Y107-I143 HydrophobicContact CD2-CG1 4.47Å; Y107-I143 HydrophobicContact CE1-CD1 3.98Å; Y107-I143 HydrophobicContact CE2-CD1 4.18Å; Y107-I143 HydrophobicContact CE2-CG1 4.46Å; Y107-I143 HydrophobicContact CG-CD1 3.9Å |
| 108 | S | 93.7 | Very high | 92 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 7% | 0.07 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -42.1 | -180 | -63.7 | 0 | 0 | 0 | 0 | 111 | H104 Q105 F111 K112 | H104-S108 WeakPolarHBondContact O-CB 3.23Å; H104-S108 PolarHBondContact O-N 3.46Å; H104-S108 PolarHBondContact O-OG 3.16Å; Q105-S108 PolarHBondContact O-N 3.34Å; Q105-S108 VanDerWaalsContact O-N 3.11Å; S108-F111 PolarHBondContact O-N 3.49Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 WeakPolarHBondContact O-CG 3.35Å; S108-K112 PolarHBondContact O-N 2.88Å |
| 109 | D | 94.5 | Very high | 92.2 | Very high | 82 Ų | 82 | 65.7 Ų | 65.7 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -71.7 | -41.6 | -178.9 | -63.6 | -22.8 | 0 | 0 | 0 | 111.5 | Q105 Y107 F111 K112 Q113 | Q105-D109 PolarHBondContact O-N 3.06Å; Y107-D109 VanDerWaalsContact C-N 3.28Å; Y107-D109 PolarHBondContact O-N 3.05Å; D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.29Å; D109-K112 PolarHBondContact O-N 3.15Å; D109-K112 IonicContact OD1-NZ 3.04Å; D109-K112 PolarHBondContact OD1-NZ 3.45Å; D109-Q113 WeakPolarHBondContact O-CB 3.12Å; D109-Q113 PolarHBondContact O-N 3.22Å |
| 110 | S | 95.5 | Very high | 92.5 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.5 | -44.3 | 172.1 | -55 | 0 | 0 | 0 | 0 | 111.5 | I106 Y107 Q113 H114 | I106-S110 WeakPolarHBondContact O-CB 3.07Å; I106-S110 PolarHBondContact O-N 2.64Å; I106-S110 VanDerWaalsContact O-N 3.08Å; I106-S110 PolarHBondContact O-OG 2.86Å; Y107-S110 PolarHBondContact O-N 3.11Å; S110-Q113 PolarHBondContact O-N 3.3Å; S110-H114 PolarHBondContact O-CD2 3.27Å; S110-H114 PolarHBondContact O-N 2.83Å |
| 111 | F | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 179.6 | -84 | -121.9 | 0 | 0 | 0 | 112.7 | V92 L96 Y107 S108 D109 D115 I116 L121 L124 L129 M132 I134 I143 | V92-F111 HydrophobicContact CG1-CD1 3.82Å; V92-F111 HydrophobicContact CG1-CE1 4.37Å; L96-F111 HydrophobicContact CD1-CB 3.97Å; L96-F111 HydrophobicContact CD1-CD1 3.66Å; L96-F111 HydrophobicContact CD1-CD2 3.95Å; L96-F111 HydrophobicContact CD1-CE1 4.05Å; L96-F111 HydrophobicContact CD1-CE2 4.3Å; L96-F111 HydrophobicContact CD1-CG 3.59Å; L96-F111 HydrophobicContact CD1-CZ 4.34Å; L96-F111 HydrophobicContact CD2-CZ 4.39Å; Y107-F111 WeakPolarHBondContact O-CB 3.48Å; Y107-F111 WeakPolarHBondContact O-CD2 3.31Å; Y107-F111 PolarHBondContact O-N 3.03Å; S108-F111 PolarHBondContact O-N 3.49Å; D109-F111 VanDerWaalsContact C-N 3.32Å; D109-F111 PolarHBondContact O-N 3.29Å; F111-D115 PolarHBondContact O-N 3.09Å; F111-I116 HydrophobicContact CB-CB 4.19Å; F111-I116 HydrophobicContact CB-CG1 4.26Å; F111-I116 HydrophobicContact CD1-CB 3.64Å; F111-I116 HydrophobicContact CD1-CG1 3.93Å; F111-I116 HydrophobicContact CD1-CG2 3.52Å; F111-I116 HydrophobicContact CE1-CB 4.42Å; F111-I116 HydrophobicContact CE1-CG2 3.86Å; F111-I116 HydrophobicContact CG-CB 4.18Å; F111-I116 HydrophobicContact CG-CG1 4.13Å; F111-I116 HydrophobicContact CG-CG2 4.49Å; F111-I116 PolarHBondContact O-N 3.47Å; F111-L121 HydrophobicContact CE1-CD1 3.8Å; F111-L124 HydrophobicContact CE1-CD2 4.17Å; F111-L124 HydrophobicContact CZ-CD2 3.81Å; F111-L129 HydrophobicContact CE2-CD2 3.76Å; F111-L129 HydrophobicContact CZ-CD2 3.76Å; F111-M132 HydrophobicContact CB-CE 4.33Å; F111-M132 HydrophobicContact CD1-CE 4.43Å; F111-M132 HydrophobicContact CD2-CE 3.36Å; F111-M132 HydrophobicContact CE2-CE 3.72Å; F111-M132 HydrophobicContact CG-CE 3.78Å; F111-M132 HydrophobicContact CZ-CE 4.4Å; F111-I134 HydrophobicContact CE2-CD1 3.93Å; F111-I143 HydrophobicContact CZ-CG2 4.19Å |
| 112 | K | 95.8 | Very high | 93.4 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 40% | 0.396 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -49.9 | 171.8 | -73 | 168.5 | -163.2 | 159.4 | 0 | 111 | Q89 C93 S108 D109 H114 D115 | Q89-K112 HydrophobicContact CG-CG 4.43Å; Q89-K112 PolarHBondContact NE2-O 3.42Å; C93-K112 VanDerWaalsContact SG-CG 3.59Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 WeakPolarHBondContact O-CG 3.35Å; S108-K112 PolarHBondContact O-N 2.88Å; D109-K112 PolarHBondContact O-N 3.15Å; D109-K112 IonicContact OD1-NZ 3.04Å; D109-K112 PolarHBondContact OD1-NZ 3.45Å; K112-H114 PolarHBondContact O-N 3.37Å; K112-H114 VanDerWaalsContact O-N 3.12Å; K112-D115 PolarHBondContact O-N 3.35Å |
| 113 | Q | 96.9 | Very high | 94.2 | Very high | 158 Ų | 158 | 66.4 Ų | 66.4 | 74% | 0.738 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.8 | -30 | -178.2 | -173.8 | 175.2 | -1.2 | 0 | 0 | 112.8 | D109 S110 | D109-Q113 WeakPolarHBondContact O-CB 3.12Å; D109-Q113 PolarHBondContact O-N 3.22Å; S110-Q113 PolarHBondContact O-N 3.3Å |
| 114 | H | 97.6 | Very high | 95.1 | Very high | 68 Ų | 68 | 62.1 Ų | 62.1 | 32% | 0.315 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 12.8 | 178.4 | -71.9 | -72.5 | 0 | 0 | 0 | 114.8 | S110 K112 I116 M132 | S110-H114 PolarHBondContact O-CD2 3.27Å; S110-H114 PolarHBondContact O-N 2.83Å; K112-H114 PolarHBondContact O-N 3.37Å; K112-H114 VanDerWaalsContact O-N 3.12Å; H114-I116 HydrophobicContact CB-CD1 3.97Å; H114-I116 HydrophobicContact CB-CG1 4.03Å; H114-I116 PolarHBondContact O-N 3.05Å; H114-M132 HydrophobicContact CB-CE 4.13Å; H114-M132 HydrophobicContact CB-CG 4.23Å; H114-M132 HydrophobicContact CB-SD 4.35Å; H114-M132 WeakPolarHBondContact CD2-CG 3.32Å; H114-M132 WeakPolarHBondContact NE2-CA 3.24Å |
| 115 | D | 96.6 | Very high | 95.9 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 63% | 0.626 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 42.1 | 178.8 | -68 | -44.7 | 0 | 0 | 0 | 113.9 | Q89 F111 K112 T117 | Q89-D115 PolarHBondContact NE2-OD1 3.34Å; F111-D115 PolarHBondContact O-N 3.09Å; K112-D115 PolarHBondContact O-N 3.35Å; D115-T117 PolarHBondContact O-N 2.88Å |
| 116 | I | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | trans | -72.1 | 101.5 | -178.3 | -55.2 | -59.1 | 0 | 0 | 0 | 110 | V92 F111 H114 A120 L121 M132 | V92-I116 HydrophobicContact CG1-CG2 4.41Å; F111-I116 HydrophobicContact CB-CB 4.19Å; F111-I116 HydrophobicContact CB-CG1 4.26Å; F111-I116 HydrophobicContact CD1-CB 3.64Å; F111-I116 HydrophobicContact CD1-CG1 3.93Å; F111-I116 HydrophobicContact CD1-CG2 3.52Å; F111-I116 HydrophobicContact CE1-CB 4.42Å; F111-I116 HydrophobicContact CE1-CG2 3.86Å; F111-I116 HydrophobicContact CG-CB 4.18Å; F111-I116 HydrophobicContact CG-CG1 4.13Å; F111-I116 HydrophobicContact CG-CG2 4.49Å; F111-I116 PolarHBondContact O-N 3.47Å; H114-I116 HydrophobicContact CB-CD1 3.97Å; H114-I116 HydrophobicContact CB-CG1 4.03Å; H114-I116 PolarHBondContact O-N 3.05Å; I116-A120 HydrophobicContact CD1-CB 4.37Å; I116-A120 HydrophobicContact CG2-CB 4.08Å; I116-L121 HydrophobicContact CG2-CB 4.41Å; I116-M132 HydrophobicContact CD1-CE 4.19Å; I116-M132 HydrophobicContact CD1-SD 3.88Å; I116-M132 HydrophobicContact CG1-CE 3.66Å; I116-M132 HydrophobicContact CG1-SD 4.03Å | ||
| 117 | T | 98.1 | Very high | 96.9 | Very high | 56 Ų | 56 | 63.6 Ų | 63.6 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | trans | -87 | 170.9 | 170.2 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | D115 R119 A120 L121 | D115-T117 PolarHBondContact O-N 2.88Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.75Å; T117-A120 WeakPolarHBondContact O-CB 3.44Å; T117-A120 PolarHBondContact O-N 3.24Å; T117-L121 PolarHBondContact O-N 2.79Å | ||
| 118 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.3 | -35.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V84 W87 A120 L121 M122 | V84-G118 VanDerWaalsContact O-CA 3.26Å; V84-G118 WeakPolarHBondContact O-CA 3.23Å; W87-G118 PolarHBondContact O-N 3.17Å; G118-A120 VanDerWaalsContact C-N 3.31Å; G118-A120 PolarHBondContact O-N 2.9Å; G118-L121 PolarHBondContact O-N 2.95Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.26Å; G118-M122 PolarHBondContact O-N 3.43Å |
| 119 | R | 98 | Very high | 97.3 | Very high | 157 Ų | 157 | 66.5 Ų | 66.5 | 59% | 0.592 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 174.2 | -63.9 | 178.8 | 64.4 | -136.1 | 2.1 | 112.5 | A85 T117 | A85-R119 HydrophobicContact CB-CG 4.41Å; A85-R119 WeakPolarHBondContact O-CG 3.16Å; T117-R119 VanDerWaalsContact C-N 3.26Å; T117-R119 PolarHBondContact O-N 2.75Å |
| 120 | A | 98.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 66.9 Ų | 66.9 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.2 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | I116 T117 G118 M122 R123 L124 | I116-A120 HydrophobicContact CD1-CB 4.37Å; I116-A120 HydrophobicContact CG2-CB 4.08Å; T117-A120 WeakPolarHBondContact O-CB 3.44Å; T117-A120 PolarHBondContact O-N 3.24Å; G118-A120 VanDerWaalsContact C-N 3.31Å; G118-A120 PolarHBondContact O-N 2.9Å; A120-M122 VanDerWaalsContact C-N 3.29Å; A120-M122 PolarHBondContact O-N 3.12Å; A120-R123 CarbonylContact O-C 3.35Å; A120-R123 WeakPolarHBondContact O-CA 3.22Å; A120-R123 PolarHBondContact O-N 2.87Å; A120-L124 PolarHBondContact O-N 3.3Å |
| 121 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -55.9 | -44.4 | 174.1 | -173.4 | 70.8 | 0 | 0 | 0 | 111.7 | W87 V92 W95 F111 I116 T117 G118 R123 L124 V147 L150 R151 | W87-L121 HydrophobicContact CZ3-CD2 4.49Å; V92-L121 HydrophobicContact CG1-CD1 4.27Å; V92-L121 HydrophobicContact CG1-CD2 4.25Å; V92-L121 HydrophobicContact CG2-CD2 4.26Å; W95-L121 HydrophobicContact CD2-CD2 4.39Å; W95-L121 HydrophobicContact CE3-CD1 4.47Å; W95-L121 HydrophobicContact CE3-CD2 4.01Å; W95-L121 HydrophobicContact CZ3-CD1 4.07Å; W95-L121 HydrophobicContact CZ3-CD2 4.23Å; F111-L121 HydrophobicContact CE1-CD1 3.8Å; I116-L121 HydrophobicContact CG2-CB 4.41Å; T117-L121 PolarHBondContact O-N 2.79Å; G118-L121 PolarHBondContact O-N 2.95Å; L121-R123 PolarHBondContact O-N 3.46Å; L121-R123 VanDerWaalsContact O-N 3.16Å; L121-L124 HydrophobicContact CD1-CD2 4.39Å; L121-L124 VanDerWaalsContact O-CB 3.23Å; L121-L124 WeakPolarHBondContact O-CB 3.32Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-L124 VanDerWaalsContact O-N 3.11Å; L121-V147 HydrophobicContact CD1-CG2 3.69Å; L121-V147 HydrophobicContact CG-CG2 4.19Å; L121-V147 WeakPolarHBondContact O-CG1 3.48Å; L121-L150 HydrophobicContact CD2-CD2 3.62Å; L121-R151 PolarHBondContact O-NH2 3.39Å |
| 122 | M | 97.8 | Very high | 97.4 | Very high | 42 Ų | 42 | 75.5 Ų | 75.5 | 21% | 0.207 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.9 | 177.5 | -67.1 | -63.6 | -76.5 | 0 | 0 | 113.7 | V84 G118 A120 R151 E154 | V84-M122 HydrophobicContact CB-CG 4.22Å; V84-M122 HydrophobicContact CB-SD 4.14Å; V84-M122 HydrophobicContact CG1-CG 3.57Å; V84-M122 HydrophobicContact CG1-SD 3.68Å; G118-M122 VanDerWaalsContact O-CG 3.23Å; G118-M122 WeakPolarHBondContact O-CG 3.26Å; G118-M122 PolarHBondContact O-N 3.43Å; A120-M122 VanDerWaalsContact C-N 3.29Å; A120-M122 PolarHBondContact O-N 3.12Å; M122-R151 HydrophobicContact CE-CB 4.13Å; M122-R151 HydrophobicContact CE-CG 3.57Å; M122-R151 PolarHBondContact O-NE 2.94Å; M122-R151 PolarHBondContact O-NH2 2.83Å; M122-R151 HydrophobicContact SD-CG 3.67Å; M122-E154 HydrophobicContact CE-CB 4.34Å; M122-E154 HydrophobicContact CE-CG 4.46Å |
| 123 | R | 97.8 | Very high | 97.4 | Very high | 178 Ų | 178 | 73.5 Ų | 73.5 | 67% | 0.672 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 6.2 | 175.7 | -69.7 | -179.3 | 164.8 | 84.9 | 0.7 | 113.2 | A120 L121 | A120-R123 CarbonylContact O-C 3.35Å; A120-R123 WeakPolarHBondContact O-CA 3.22Å; A120-R123 PolarHBondContact O-N 2.87Å; L121-R123 PolarHBondContact O-N 3.46Å; L121-R123 VanDerWaalsContact O-N 3.16Å |
| 124 | L | 97.7 | Very high | 97.3 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | trans | -60.7 | 141.8 | -174.5 | -154.8 | 77.7 | 0 | 0 | 0 | 111 | F111 A120 L121 K128 L129 I143 V147 R151 | F111-L124 HydrophobicContact CE1-CD2 4.17Å; F111-L124 HydrophobicContact CZ-CD2 3.81Å; A120-L124 PolarHBondContact O-N 3.3Å; L121-L124 HydrophobicContact CD1-CD2 4.39Å; L121-L124 VanDerWaalsContact O-CB 3.23Å; L121-L124 WeakPolarHBondContact O-CB 3.32Å; L121-L124 PolarHBondContact O-N 3.23Å; L121-L124 VanDerWaalsContact O-N 3.11Å; L124-K128 HydrophobicContact CD1-CG 4.17Å; L124-L129 HydrophobicContact CD2-CD1 4.02Å; L124-L129 HydrophobicContact CD2-CD2 3.68Å; L124-L129 HydrophobicContact CD2-CG 3.82Å; L124-L129 HydrophobicContact CG-CD2 4.38Å; L124-L129 HydrophobicContact CG-CG 4.15Å; L124-I143 HydrophobicContact CD2-CG2 4.19Å; L124-V147 HydrophobicContact CD2-CG2 4.27Å; L124-R151 PolarHBondContact O-NH2 3.06Å | ||
| 125 | T | 98 | Very high | 97.1 | Very high | 75 Ų | 75 | 68.2 Ų | 68.2 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -132.1 | 161.3 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | R127 K128 L129 | T125-R127 PolarHBondContact O-N 3.46Å; T125-K128 PolarHBondContact O-N 2.94Å; T125-K128 VanDerWaalsContact O-N 3.12Å; T125-K128 PolarHBondContact OG1-N 3.37Å; T125-L129 PolarHBondContact O-N 2.91Å; T125-L129 VanDerWaalsContact O-N 3.14Å | ||
| 126 | D | 98.1 | Very high | 97 | Very high | 49 Ų | 49 | 68.7 Ų | 68.7 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -54.9 | -51.2 | 176.2 | -176.6 | 69.5 | 0 | 0 | 0 | 112.1 | K128 L129 E130 R140 L144 | D126-K128 PolarHBondContact O-N 3.15Å; D126-K128 VanDerWaalsContact O-N 3.12Å; D126-L129 WeakPolarHBondContact O-CB 3.17Å; D126-L129 PolarHBondContact O-N 3.16Å; D126-E130 PolarHBondContact O-N 2.94Å; D126-R140 WeakPolarHBondContact OD1-CB 3.34Å; D126-R140 WeakPolarHBondContact OD1-CD 3.35Å; D126-R140 IonicContact OD1-CZ 3.84Å; D126-R140 IonicContact OD1-NE 2.81Å; D126-R140 PolarHBondContact OD1-NE 3.33Å; D126-R140 IonicContact OD2-NE 3.61Å; D126-R140 IonicContact OD2-NH2 3.96Å; D126-L144 HydrophobicContact CB-CD1 3.78Å |
| 127 | R | 97.9 | Very high | 96.9 | Very high | 182 Ų | 182 | 74.5 Ų | 74.5 | 69% | 0.687 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -57.7 | -29.2 | 177.1 | -71.1 | -170.3 | 175.9 | -171.5 | -1.1 | 114.1 | T125 R131 | T125-R127 PolarHBondContact O-N 3.46Å; R127-R131 WeakPolarHBondContact O-CG 3.21Å; R127-R131 PolarHBondContact O-N 3.08Å; R127-R131 PolarHBondContact O-NE 3.37Å |
| 128 | K | 97.3 | Very high | 96.8 | Very high | 76 Ų | 76 | 75.8 Ų | 75.8 | 33% | 0.33 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -75.3 | -43.4 | 176.7 | 180 | 58.3 | 177.7 | 175.1 | 0 | 110.2 | L124 T125 D126 E130 R131 M132 | L124-K128 HydrophobicContact CD1-CG 4.17Å; T125-K128 PolarHBondContact O-N 2.94Å; T125-K128 VanDerWaalsContact O-N 3.12Å; T125-K128 PolarHBondContact OG1-N 3.37Å; D126-K128 PolarHBondContact O-N 3.15Å; D126-K128 VanDerWaalsContact O-N 3.12Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 2.98Å; K128-R131 PolarHBondContact O-N 3.43Å; K128-M132 HydrophobicContact CD-CG 4.35Å; K128-M132 HydrophobicContact CD-SD 4.33Å; K128-M132 HydrophobicContact CG-SD 4.01Å; K128-M132 WeakPolarHBondContact O-CG 3.45Å; K128-M132 PolarHBondContact O-N 3.37Å |
| 129 | L | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 176 | -75 | 168 | 0 | 0 | 0 | 112 | F111 L124 T125 D126 M132 G133 I134 R140 I143 L144 | F111-L129 HydrophobicContact CE2-CD2 3.76Å; F111-L129 HydrophobicContact CZ-CD2 3.76Å; L124-L129 HydrophobicContact CD2-CD1 4.02Å; L124-L129 HydrophobicContact CD2-CD2 3.68Å; L124-L129 HydrophobicContact CD2-CG 3.82Å; L124-L129 HydrophobicContact CG-CD2 4.38Å; L124-L129 HydrophobicContact CG-CG 4.15Å; T125-L129 PolarHBondContact O-N 2.91Å; T125-L129 VanDerWaalsContact O-N 3.14Å; D126-L129 WeakPolarHBondContact O-CB 3.17Å; D126-L129 PolarHBondContact O-N 3.16Å; L129-M132 WeakPolarHBondContact O-CB 3.49Å; L129-M132 PolarHBondContact O-N 2.92Å; L129-M132 VanDerWaalsContact O-N 3.09Å; L129-G133 PolarHBondContact O-N 3.42Å; L129-I134 HydrophobicContact CD2-CD1 3.6Å; L129-I134 WeakPolarHBondContact O-CB 3.41Å; L129-I134 PolarHBondContact O-N 2.88Å; L129-I134 VanDerWaalsContact O-N 3.11Å; L129-R140 HydrophobicContact CB-CB 4.41Å; L129-R140 HydrophobicContact CB-CG 3.84Å; L129-R140 HydrophobicContact CD1-CB 4.06Å; L129-R140 HydrophobicContact CD1-CG 4.36Å; L129-I143 HydrophobicContact CD1-CB 4.28Å; L129-I143 HydrophobicContact CD1-CG2 4.22Å; L129-I143 HydrophobicContact CD2-CD1 4.18Å; L129-I143 HydrophobicContact CD2-CG2 4.14Å; L129-L144 HydrophobicContact CD1-CD1 4.26Å; L129-L144 HydrophobicContact CD1-CD2 3.82Å; L129-L144 HydrophobicContact CD1-CG 3.67Å |
| 130 | E | 96.9 | Very high | 96.5 | Very high | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 175.8 | -175.9 | 177.3 | -145.4 | 0 | 0 | 111.4 | D126 K128 M132 G133 | D126-E130 PolarHBondContact O-N 2.94Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 2.98Å; E130-M132 PolarHBondContact O-N 3.09Å; E130-G133 PolarHBondContact O-N 3.17Å |
| 131 | R | 97.1 | Very high | 96.4 | Very high | 189 Ų | 189 | 73.2 Ų | 73.2 | 71% | 0.713 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64.7 | -18.2 | 174.5 | -79.1 | -171.9 | -101.8 | 172.5 | -13.1 | 114.4 | R127 K128 G133 | R127-R131 WeakPolarHBondContact O-CG 3.21Å; R127-R131 PolarHBondContact O-N 3.08Å; R127-R131 PolarHBondContact O-NE 3.37Å; K128-R131 PolarHBondContact O-N 3.43Å; R131-G133 VanDerWaalsContact C-N 3.26Å |
| 132 | M | 96 | Very high | 96.3 | Very high | 9 Ų | 9 | 76 Ų | 76 | 4% | 0.044 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.5 | 173.7 | -67.1 | 172.5 | 52.3 | 0 | 0 | 112.8 | F111 H114 I116 K128 L129 E130 | F111-M132 HydrophobicContact CB-CE 4.33Å; F111-M132 HydrophobicContact CD1-CE 4.43Å; F111-M132 HydrophobicContact CD2-CE 3.36Å; F111-M132 HydrophobicContact CE2-CE 3.72Å; F111-M132 HydrophobicContact CG-CE 3.78Å; F111-M132 HydrophobicContact CZ-CE 4.4Å; H114-M132 HydrophobicContact CB-CE 4.13Å; H114-M132 HydrophobicContact CB-CG 4.23Å; H114-M132 HydrophobicContact CB-SD 4.35Å; H114-M132 WeakPolarHBondContact CD2-CG 3.32Å; H114-M132 WeakPolarHBondContact NE2-CA 3.24Å; I116-M132 HydrophobicContact CD1-CE 4.19Å; I116-M132 HydrophobicContact CD1-SD 3.88Å; I116-M132 HydrophobicContact CG1-CE 3.66Å; I116-M132 HydrophobicContact CG1-SD 4.03Å; K128-M132 HydrophobicContact CD-CG 4.35Å; K128-M132 HydrophobicContact CD-SD 4.33Å; K128-M132 HydrophobicContact CG-SD 4.01Å; K128-M132 WeakPolarHBondContact O-CG 3.45Å; K128-M132 PolarHBondContact O-N 3.37Å; L129-M132 WeakPolarHBondContact O-CB 3.49Å; L129-M132 PolarHBondContact O-N 2.92Å; L129-M132 VanDerWaalsContact O-N 3.09Å; E130-M132 PolarHBondContact O-N 3.09Å |
| 133 | G | 94.2 | Very high | 96.2 | Very high | 49 Ų | 49 | 74 Ų | 74 | 51% | 0.505 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | 7.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | L129 E130 R131 I135 | L129-G133 PolarHBondContact O-N 3.42Å; E130-G133 PolarHBondContact O-N 3.17Å; R131-G133 VanDerWaalsContact C-N 3.26Å; G133-I135 PolarHBondContact O-N 3.25Å; G133-I135 VanDerWaalsContact O-N 3.16Å |
| 134 | I | 94.6 | Very high | 96.2 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.015 | 33% | 0.333 | C | S | . | . | trans | -88.3 | 83.9 | 175.2 | -57.1 | 166.2 | 0 | 0 | 0 | 108 | Y107 F111 L129 Q139 R140 I143 | Y107-I134 HydrophobicContact CD1-CD1 3.8Å; Y107-I134 HydrophobicContact CD1-CG1 4.04Å; Y107-I134 HydrophobicContact CD1-CG2 4.48Å; Y107-I134 HydrophobicContact CE1-CD1 4.43Å; Y107-I134 HydrophobicContact CE1-CG1 4.4Å; Y107-I134 HydrophobicContact CE1-CG2 4.06Å; F111-I134 HydrophobicContact CE2-CD1 3.93Å; L129-I134 HydrophobicContact CD2-CD1 3.6Å; L129-I134 WeakPolarHBondContact O-CB 3.41Å; L129-I134 PolarHBondContact O-N 2.88Å; L129-I134 VanDerWaalsContact O-N 3.11Å; I134-Q139 HydrophobicContact CG2-CB 3.96Å; I134-R140 HydrophobicContact CB-CG 4.15Å; I134-R140 HydrophobicContact CG2-CG 3.67Å; I134-R140 WeakPolarHBondContact O-CD 3.47Å; I134-R140 VanDerWaalsContact O-CG 3.23Å; I134-R140 WeakPolarHBondContact O-CG 3.36Å; I134-R140 PolarHBondContact O-NH1 3.49Å; I134-I143 HydrophobicContact CD1-CD1 3.82Å; I134-I143 HydrophobicContact CG2-CD1 4.44Å | ||
| 135 | I | 93.6 | Very high | 96.2 | Very high | 113 Ų | 113 | 72 Ų | 72 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | trans | -77.3 | -30.7 | -168.8 | -49.6 | -54.8 | 0 | 0 | 0 | 113 | G133 E137 R140 | G133-I135 PolarHBondContact O-N 3.25Å; G133-I135 VanDerWaalsContact O-N 3.16Å; I135-E137 PolarHBondContact O-N 3.47Å; I135-R140 PolarHBondContact O-NH1 2.96Å | ||
| 136 | H | 95.1 | Very high | 96.2 | Very high | 127 Ų | 127 | 69.6 Ų | 69.6 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | trans | -76 | 121.2 | -179.4 | -63.7 | -76.9 | 0 | 0 | 0 | 111.4 | A138 Q139 R140 | H136-A138 PolarHBondContact O-N 3.22Å; H136-Q139 HydrophobicContact CB-CB 4.24Å; H136-Q139 HydrophobicContact CB-CG 3.86Å; H136-Q139 WeakPolarHBondContact O-CB 3.4Å; H136-Q139 PolarHBondContact O-N 3.01Å; H136-Q139 VanDerWaalsContact O-N 3.16Å; H136-R140 PolarHBondContact O-N 3.46Å; H136-R140 VanDerWaalsContact O-N 3.13Å | ||
| 137 | E | 96.3 | Very high | 96.1 | Very high | 125 Ų | 125 | 67.3 Ų | 67.3 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.9 | -45.7 | -179.9 | -175.8 | -179.5 | 177.3 | 0 | 0 | 112.4 | I135 Q139 R140 Q141 | I135-E137 PolarHBondContact O-N 3.47Å; E137-Q139 PolarHBondContact O-N 2.98Å; E137-R140 PolarHBondContact O-N 2.94Å; E137-Q141 HydrophobicContact CG-CG 4.05Å; E137-Q141 WeakPolarHBondContact O-CG 3.17Å; E137-Q141 PolarHBondContact O-N 3.37Å |
| 138 | A | 94.8 | Very high | 96.1 | Very high | 83 Ų | 83 | 63.5 Ų | 63.5 | 69% | 0.686 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -56.2 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H136 H142 | H136-A138 PolarHBondContact O-N 3.22Å; A138-H142 WeakPolarHBondContact O-CB 3.48Å; A138-H142 PolarHBondContact O-N 2.95Å |
| 139 | Q | 93.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 64.9 Ų | 64.9 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.7 | -46.5 | 175.2 | -65.3 | 178.8 | -22.9 | 0 | 0 | 111.5 | Y107 I134 H136 E137 Q141 H142 I143 | Y107-Q139 HydrophobicContact CE1-CB 4.28Å; Y107-Q139 VanDerWaalsContact OH-CB 3.32Å; Y107-Q139 WeakPolarHBondContact OH-CB 2.87Å; Y107-Q139 WeakPolarHBondContact OH-CG 3.49Å; Y107-Q139 PolarHBondContact OH-NE2 3.22Å; I134-Q139 HydrophobicContact CG2-CB 3.96Å; H136-Q139 HydrophobicContact CB-CB 4.24Å; H136-Q139 HydrophobicContact CB-CG 3.86Å; H136-Q139 WeakPolarHBondContact O-CB 3.4Å; H136-Q139 PolarHBondContact O-N 3.01Å; H136-Q139 VanDerWaalsContact O-N 3.16Å; E137-Q139 PolarHBondContact O-N 2.98Å; Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.26Å; Q139-H142 WeakPolarHBondContact O-CB 3.26Å; Q139-H142 PolarHBondContact O-N 3.06Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.31Å |
| 140 | R | 96.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 65 Ų | 65 | 6% | 0.064 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 177.3 | -66.2 | -161.9 | -63.7 | -88.8 | 3.8 | 111.6 | D126 L129 I134 I135 H136 E137 H142 I143 L144 | D126-R140 WeakPolarHBondContact OD1-CB 3.34Å; D126-R140 WeakPolarHBondContact OD1-CD 3.35Å; D126-R140 IonicContact OD1-CZ 3.84Å; D126-R140 IonicContact OD1-NE 2.81Å; D126-R140 PolarHBondContact OD1-NE 3.33Å; D126-R140 IonicContact OD2-NE 3.61Å; D126-R140 IonicContact OD2-NH2 3.96Å; L129-R140 HydrophobicContact CB-CB 4.41Å; L129-R140 HydrophobicContact CB-CG 3.84Å; L129-R140 HydrophobicContact CD1-CB 4.06Å; L129-R140 HydrophobicContact CD1-CG 4.36Å; I134-R140 HydrophobicContact CB-CG 4.15Å; I134-R140 HydrophobicContact CG2-CG 3.67Å; I134-R140 WeakPolarHBondContact O-CD 3.47Å; I134-R140 VanDerWaalsContact O-CG 3.23Å; I134-R140 WeakPolarHBondContact O-CG 3.36Å; I134-R140 PolarHBondContact O-NH1 3.49Å; I135-R140 PolarHBondContact O-NH1 2.96Å; H136-R140 PolarHBondContact O-N 3.46Å; H136-R140 VanDerWaalsContact O-N 3.13Å; E137-R140 PolarHBondContact O-N 2.94Å; R140-H142 VanDerWaalsContact C-N 3.31Å; R140-H142 PolarHBondContact O-N 3.5Å; R140-I143 PolarHBondContact O-N 3.16Å; R140-L144 VanDerWaalsContact O-CG 3.31Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 2.93Å |
| 141 | Q | 97.5 | Very high | 96.2 | Very high | 91 Ų | 91 | 64.1 Ų | 64.1 | 43% | 0.425 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 177.6 | -67.5 | -56.4 | -29.6 | 0 | 0 | 111.5 | E137 Q139 I143 L144 Q145 | E137-Q141 HydrophobicContact CG-CG 4.05Å; E137-Q141 WeakPolarHBondContact O-CG 3.17Å; E137-Q141 PolarHBondContact O-N 3.37Å; Q139-Q141 VanDerWaalsContact C-N 3.34Å; Q139-Q141 PolarHBondContact O-N 3.26Å; Q141-I143 PolarHBondContact O-N 3.4Å; Q141-L144 PolarHBondContact O-N 3.1Å; Q141-Q145 WeakPolarHBondContact O-CB 3.44Å; Q141-Q145 PolarHBondContact O-N 3.29Å |
| 142 | H | 95.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 59.1 Ų | 59.1 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 175.6 | -176.8 | 67.1 | 0 | 0 | 0 | 112.3 | A138 Q139 R140 Q145 Q146 | A138-H142 WeakPolarHBondContact O-CB 3.48Å; A138-H142 PolarHBondContact O-N 2.95Å; Q139-H142 WeakPolarHBondContact O-CB 3.26Å; Q139-H142 PolarHBondContact O-N 3.06Å; R140-H142 VanDerWaalsContact C-N 3.31Å; R140-H142 PolarHBondContact O-N 3.5Å; H142-Q145 PolarHBondContact O-N 2.81Å; H142-Q146 WeakPolarHBondContact O-CG 3.39Å; H142-Q146 PolarHBondContact O-N 3.32Å; H142-Q146 VanDerWaalsContact O-N 3.09Å |
| 143 | I | 95.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 177.3 | -64.7 | 166.6 | 0 | 0 | 0 | 110.6 | Y107 F111 L124 L129 I134 Q139 R140 Q141 Q145 Q146 V147 | Y107-I143 HydrophobicContact CD1-CD1 3.84Å; Y107-I143 HydrophobicContact CD2-CD1 4.06Å; Y107-I143 HydrophobicContact CD2-CG1 4.47Å; Y107-I143 HydrophobicContact CE1-CD1 3.98Å; Y107-I143 HydrophobicContact CE2-CD1 4.18Å; Y107-I143 HydrophobicContact CE2-CG1 4.46Å; Y107-I143 HydrophobicContact CG-CD1 3.9Å; F111-I143 HydrophobicContact CZ-CG2 4.19Å; L124-I143 HydrophobicContact CD2-CG2 4.19Å; L129-I143 HydrophobicContact CD1-CB 4.28Å; L129-I143 HydrophobicContact CD1-CG2 4.22Å; L129-I143 HydrophobicContact CD2-CD1 4.18Å; L129-I143 HydrophobicContact CD2-CG2 4.14Å; I134-I143 HydrophobicContact CD1-CD1 3.82Å; I134-I143 HydrophobicContact CG2-CD1 4.44Å; Q139-I143 WeakPolarHBondContact O-CG1 3.48Å; Q139-I143 PolarHBondContact O-N 3.31Å; R140-I143 PolarHBondContact O-N 3.16Å; Q141-I143 PolarHBondContact O-N 3.4Å; I143-Q145 VanDerWaalsContact C-N 3.28Å; I143-Q145 PolarHBondContact O-N 3.34Å; I143-Q146 PolarHBondContact O-N 3.49Å; I143-Q146 VanDerWaalsContact O-N 3.15Å; I143-V147 HydrophobicContact CG2-CG2 4.3Å; I143-V147 WeakPolarHBondContact O-CG2 3.43Å; I143-V147 PolarHBondContact O-N 3.22Å |
| 144 | L | 97.3 | Very high | 96.3 | Very high | 33 Ų | 33 | 63.1 Ų | 63.1 | 17% | 0.173 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 179.2 | -70.7 | 171.7 | 0 | 0 | 0 | 112 | D126 L129 R140 Q141 V147 L148 | D126-L144 HydrophobicContact CB-CD1 3.78Å; L129-L144 HydrophobicContact CD1-CD1 4.26Å; L129-L144 HydrophobicContact CD1-CD2 3.82Å; L129-L144 HydrophobicContact CD1-CG 3.67Å; R140-L144 VanDerWaalsContact O-CG 3.31Å; R140-L144 WeakPolarHBondContact O-CG 3.46Å; R140-L144 PolarHBondContact O-N 2.93Å; Q141-L144 PolarHBondContact O-N 3.1Å; L144-V147 PolarHBondContact O-N 2.96Å; L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 PolarHBondContact O-N 2.86Å |
| 145 | Q | 97.7 | Very high | 96.3 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 51% | 0.514 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 174.7 | -170.6 | -178.3 | 19.8 | 0 | 0 | 111.4 | Q141 H142 I143 V147 L148 Q149 | Q141-Q145 WeakPolarHBondContact O-CB 3.44Å; Q141-Q145 PolarHBondContact O-N 3.29Å; H142-Q145 PolarHBondContact O-N 2.81Å; I143-Q145 VanDerWaalsContact C-N 3.28Å; I143-Q145 PolarHBondContact O-N 3.34Å; Q145-V147 VanDerWaalsContact C-N 3.34Å; Q145-V147 PolarHBondContact O-N 2.87Å; Q145-L148 PolarHBondContact O-N 2.79Å; Q145-Q149 WeakPolarHBondContact O-CG 3.29Å; Q145-Q149 PolarHBondContact O-N 2.88Å |
| 146 | Q | 97.1 | Very high | 96.4 | Very high | 25 Ų | 25 | 66.2 Ų | 66.2 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 175.3 | -67.4 | -57.4 | -55.2 | 0 | 0 | 111.9 | W95 H99 H142 I143 L148 Q149 L150 | W95-Q146 HydrophobicContact CH2-CB 3.65Å; W95-Q146 HydrophobicContact CZ2-CB 3.85Å; W95-Q146 WeakPolarHBondContact CZ2-O 3.46Å; H99-Q146 HydrophobicContact CB-CG 4.42Å; H142-Q146 WeakPolarHBondContact O-CG 3.39Å; H142-Q146 PolarHBondContact O-N 3.32Å; H142-Q146 VanDerWaalsContact O-N 3.09Å; I143-Q146 PolarHBondContact O-N 3.49Å; I143-Q146 VanDerWaalsContact O-N 3.15Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 3.14Å; Q146-Q149 PolarHBondContact O-N 3.04Å; Q146-L150 PolarHBondContact O-N 3.49Å |
| 147 | V | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.7 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | W95 L121 L124 I143 L144 Q145 L150 R151 | W95-V147 HydrophobicContact CH2-CG2 3.72Å; W95-V147 HydrophobicContact CZ3-CG2 4.13Å; L121-V147 HydrophobicContact CD1-CG2 3.69Å; L121-V147 HydrophobicContact CG-CG2 4.19Å; L121-V147 WeakPolarHBondContact O-CG1 3.48Å; L124-V147 HydrophobicContact CD2-CG2 4.27Å; I143-V147 HydrophobicContact CG2-CG2 4.3Å; I143-V147 WeakPolarHBondContact O-CG2 3.43Å; I143-V147 PolarHBondContact O-N 3.22Å; L144-V147 PolarHBondContact O-N 2.96Å; Q145-V147 VanDerWaalsContact C-N 3.34Å; Q145-V147 PolarHBondContact O-N 2.87Å; V147-L150 WeakPolarHBondContact O-CB 3.39Å; V147-L150 PolarHBondContact O-N 3.09Å; V147-R151 WeakPolarHBondContact O-CG 3.44Å; V147-R151 PolarHBondContact O-N 3.35Å |
| 148 | L | 98.2 | Very high | 96.1 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 175.9 | -177.8 | 62.6 | 0 | 0 | 0 | 111.2 | L144 Q145 Q146 L150 R151 V152 | L144-L148 WeakPolarHBondContact O-CB 3.49Å; L144-L148 PolarHBondContact O-N 2.86Å; Q145-L148 PolarHBondContact O-N 2.79Å; Q146-L148 VanDerWaalsContact C-N 3.33Å; Q146-L148 PolarHBondContact O-N 3.14Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 3.44Å; L148-R151 WeakPolarHBondContact O-CB 3.44Å; L148-R151 PolarHBondContact O-N 3.45Å; L148-R151 VanDerWaalsContact O-N 3.16Å; L148-V152 WeakPolarHBondContact O-CG2 3.09Å; L148-V152 PolarHBondContact O-N 2.93Å |
| 149 | Q | 97.8 | Very high | 96 | Very high | 104 Ų | 104 | 60 Ų | 60 | 49% | 0.486 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 174.6 | -69.5 | 177.2 | 4 | 0 | 0 | 111.8 | Q145 Q146 R151 V152 R153 | Q145-Q149 WeakPolarHBondContact O-CG 3.29Å; Q145-Q149 PolarHBondContact O-N 2.88Å; Q146-Q149 PolarHBondContact O-N 3.04Å; Q149-R151 VanDerWaalsContact C-N 3.35Å; Q149-R151 PolarHBondContact O-N 2.97Å; Q149-V152 PolarHBondContact O-N 3.24Å; Q149-R153 WeakPolarHBondContact O-CB 3.4Å; Q149-R153 PolarHBondContact O-N 2.69Å |
| 150 | L | 97.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.016 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175 | -179.8 | 62.6 | 0 | 0 | 0 | 111.6 | V84 W87 W95 L121 Q146 V147 L148 R153 E154 | V84-L150 HydrophobicContact CG1-CD2 3.98Å; V84-L150 HydrophobicContact CG2-CD1 3.78Å; V84-L150 HydrophobicContact CG2-CD2 4.16Å; V84-L150 HydrophobicContact CG2-CG 4Å; W87-L150 HydrophobicContact CH2-CD1 3.87Å; W87-L150 HydrophobicContact CH2-CD2 4.18Å; W87-L150 HydrophobicContact CZ3-CD1 4.43Å; W87-L150 HydrophobicContact CZ3-CD2 3.89Å; W95-L150 HydrophobicContact CD2-CD2 4.27Å; W95-L150 HydrophobicContact CZ2-CB 4.04Å; W95-L150 HydrophobicContact CZ2-CD2 4.05Å; L121-L150 HydrophobicContact CD2-CD2 3.62Å; Q146-L150 PolarHBondContact O-N 3.49Å; V147-L150 WeakPolarHBondContact O-CB 3.39Å; V147-L150 PolarHBondContact O-N 3.09Å; L148-L150 VanDerWaalsContact C-N 3.29Å; L148-L150 PolarHBondContact O-N 3.44Å; L150-R153 PolarHBondContact O-N 2.99Å; L150-E154 WeakPolarHBondContact O-CB 3.5Å; L150-E154 PolarHBondContact O-N 3.34Å |
| 151 | R | 97.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 65 Ų | 65 | 27% | 0.268 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 177.2 | -69.7 | 170.3 | -169.7 | 179.7 | 7.7 | 111.5 | L121 M122 L124 V147 L148 Q149 R153 E154 E155 | L121-R151 PolarHBondContact O-NH2 3.39Å; M122-R151 HydrophobicContact CE-CB 4.13Å; M122-R151 HydrophobicContact CE-CG 3.57Å; M122-R151 PolarHBondContact O-NE 2.94Å; M122-R151 PolarHBondContact O-NH2 2.83Å; M122-R151 HydrophobicContact SD-CG 3.67Å; L124-R151 PolarHBondContact O-NH2 3.06Å; V147-R151 WeakPolarHBondContact O-CG 3.44Å; V147-R151 PolarHBondContact O-N 3.35Å; L148-R151 WeakPolarHBondContact O-CB 3.44Å; L148-R151 PolarHBondContact O-N 3.45Å; L148-R151 VanDerWaalsContact O-N 3.16Å; Q149-R151 VanDerWaalsContact C-N 3.35Å; Q149-R151 PolarHBondContact O-N 2.97Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3Å; R151-E154 WeakPolarHBondContact O-CB 3.48Å; R151-E154 PolarHBondContact O-N 2.83Å; R151-E155 WeakPolarHBondContact O-CG 3.34Å; R151-E155 PolarHBondContact O-N 3.05Å |
| 152 | V | 97.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 65.9 Ų | 65.9 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 178.5 | 174 | 0 | 0 | 0 | 0 | 110.9 | L148 Q149 E154 E155 V156 | L148-V152 WeakPolarHBondContact O-CG2 3.09Å; L148-V152 PolarHBondContact O-N 2.93Å; Q149-V152 PolarHBondContact O-N 3.24Å; V152-E154 VanDerWaalsContact C-N 3.33Å; V152-E154 PolarHBondContact O-N 2.66Å; V152-E155 PolarHBondContact O-N 2.98Å; V152-V156 WeakPolarHBondContact O-CG2 3.2Å; V152-V156 PolarHBondContact O-N 3.28Å |
| 153 | R | 95.7 | Very high | 94.8 | Very high | 124 Ų | 124 | 67.1 Ų | 67.1 | 47% | 0.468 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 177.3 | -172.5 | 177.6 | 68.8 | -173.8 | 0.7 | 112.4 | Q149 L150 R151 R157 | Q149-R153 WeakPolarHBondContact O-CB 3.4Å; Q149-R153 PolarHBondContact O-N 2.69Å; L150-R153 PolarHBondContact O-N 2.99Å; R151-R153 VanDerWaalsContact C-N 3.27Å; R151-R153 PolarHBondContact O-N 3Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.34Å; R153-R157 PolarHBondContact O-N 3.33Å |
| 154 | E | 95.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.6 | -39 | 178.6 | -166.7 | 68.6 | 174.8 | 0 | 0 | 112 | P83 V84 M122 L150 R151 V152 R157 T158 | P83-E154 WeakPolarHBondContact CA-OE1 3.47Å; P83-E154 WeakPolarHBondContact CB-OE1 3.39Å; V84-E154 HydrophobicContact CB-CG 4.44Å; V84-E154 HydrophobicContact CG2-CB 4.44Å; V84-E154 HydrophobicContact CG2-CG 4.19Å; V84-E154 PolarHBondContact N-OE1 2.95Å; M122-E154 HydrophobicContact CE-CB 4.34Å; M122-E154 HydrophobicContact CE-CG 4.46Å; L150-E154 WeakPolarHBondContact O-CB 3.5Å; L150-E154 PolarHBondContact O-N 3.34Å; R151-E154 WeakPolarHBondContact O-CB 3.48Å; R151-E154 PolarHBondContact O-N 2.83Å; V152-E154 VanDerWaalsContact C-N 3.33Å; V152-E154 PolarHBondContact O-N 2.66Å; E154-R157 PolarHBondContact O-N 2.76Å; E154-T158 WeakPolarHBondContact O-CB 3.42Å; E154-T158 PolarHBondContact O-N 3.35Å; E154-T158 PolarHBondContact O-OG1 3.42Å |
| 155 | E | 96.1 | Very high | 93.5 | Very high | 111 Ų | 111 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -48.3 | 174.2 | -66.7 | -56.1 | 143.9 | 0 | 0 | 111.2 | R151 V152 R157 T158 L159 | R151-E155 WeakPolarHBondContact O-CG 3.34Å; R151-E155 PolarHBondContact O-N 3.05Å; V152-E155 PolarHBondContact O-N 2.98Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 2.97Å; E155-T158 PolarHBondContact O-N 3.18Å; E155-T158 VanDerWaalsContact O-N 3.09Å; E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 2.86Å |
| 156 | V | 95.3 | Very high | 92.4 | Very high | 70 Ų | 70 | 70.2 Ų | 70.2 | 42% | 0.424 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.3 | -45.3 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V152 T158 L159 Q160 | V152-V156 WeakPolarHBondContact O-CG2 3.2Å; V152-V156 PolarHBondContact O-N 3.28Å; V156-T158 PolarHBondContact O-N 3.03Å; V156-L159 PolarHBondContact O-N 3.46Å; V156-Q160 WeakPolarHBondContact O-CB 3.36Å; V156-Q160 VanDerWaalsContact O-CG 3.29Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.94Å |
| 157 | R | 92.3 | Very high | 91.1 | Very high | 41 Ų | 41 | 74.9 Ų | 74.9 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 175.9 | 175.6 | -172 | 170.1 | 84.6 | 12.9 | 111.7 | K79 S81 R153 E154 E155 Q160 L161 | K79-R157 PolarHBondContact O-NH1 3.16Å; S81-R157 PolarHBondContact O-NH2 3.43Å; S81-R157 VanDerWaalsContact OG-CZ 3.24Å; S81-R157 PolarHBondContact OG-NH1 3.12Å; R153-R157 VanDerWaalsContact O-CB 3.27Å; R153-R157 WeakPolarHBondContact O-CB 3.34Å; R153-R157 PolarHBondContact O-N 3.33Å; E154-R157 PolarHBondContact O-N 2.76Å; E155-R157 VanDerWaalsContact C-N 3.29Å; E155-R157 PolarHBondContact O-N 2.97Å; R157-Q160 PolarHBondContact O-N 2.98Å; R157-L161 HydrophobicContact CG-CD1 4.26Å; R157-L161 VanDerWaalsContact O-CG 3.32Å; R157-L161 WeakPolarHBondContact O-CG 3.27Å; R157-L161 PolarHBondContact O-N 3.08Å |
| 158 | T | 92 | Very high | 89.4 | Confident | 57 Ų | 57 | 83.1 Ų | 83.1 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | E154 E155 V156 Q160 L161 L162 | E154-T158 WeakPolarHBondContact O-CB 3.42Å; E154-T158 PolarHBondContact O-N 3.35Å; E154-T158 PolarHBondContact O-OG1 3.42Å; E155-T158 PolarHBondContact O-N 3.18Å; E155-T158 VanDerWaalsContact O-N 3.09Å; V156-T158 PolarHBondContact O-N 3.03Å; T158-Q160 PolarHBondContact O-N 3.05Å; T158-L161 PolarHBondContact O-N 2.95Å; T158-L162 HydrophobicContact CG2-CD1 4.18Å; T158-L162 WeakPolarHBondContact O-CG 3.49Å; T158-L162 PolarHBondContact O-N 3.25Å |
| 159 | L | 93.8 | Very high | 87.6 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 56% | 0.555 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.2 | -45.7 | 175.2 | -68.7 | 174.1 | 0 | 0 | 0 | 111.7 | E155 V156 L161 L162 T163 | E155-L159 WeakPolarHBondContact O-CG 3.5Å; E155-L159 PolarHBondContact O-N 2.86Å; V156-L159 PolarHBondContact O-N 3.46Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 3.42Å; L159-L162 PolarHBondContact O-N 2.9Å; L159-T163 PolarHBondContact O-N 3.18Å; L159-T163 PolarHBondContact O-OG1 3.36Å; L159-T163 VanDerWaalsContact O-OG1 3.05Å |
| 160 | Q | 90.4 | Very high | 85.5 | Confident | 101 Ų | 101 | 82.3 Ų | 82.3 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 176.3 | -75.3 | 173.1 | -10.8 | 0 | 0 | 112.5 | V156 R157 T158 Q164 | V156-Q160 WeakPolarHBondContact O-CB 3.36Å; V156-Q160 VanDerWaalsContact O-CG 3.29Å; V156-Q160 WeakPolarHBondContact O-CG 3.32Å; V156-Q160 PolarHBondContact O-N 2.94Å; R157-Q160 PolarHBondContact O-N 2.98Å; T158-Q160 PolarHBondContact O-N 3.05Å; Q160-Q164 WeakPolarHBondContact O-CB 3.35Å; Q160-Q164 WeakPolarHBondContact O-CG 3.33Å; Q160-Q164 PolarHBondContact O-N 3.31Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å; Q160-Q164 PolarHBondContact O-NE2 3.02Å |
| 161 | L | 88.5 | Confident | 83.5 | Confident | 52 Ų | 52 | 87.4 Ų | 87.4 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 177.9 | -72.1 | 170.9 | 0 | 0 | 0 | 112.2 | V78 L80 R157 T158 L159 Q164 A165 | V78-L161 HydrophobicContact CG2-CD2 3.42Å; V78-L161 VanDerWaalsContact CG2-CD2 3.42Å; V78-L161 HydrophobicContact CG2-CG 4.48Å; L80-L161 HydrophobicContact CD2-CD1 3.97Å; L80-L161 HydrophobicContact CD2-CD2 3.33Å; L80-L161 HydrophobicContact CD2-CG 4.31Å; R157-L161 HydrophobicContact CG-CD1 4.26Å; R157-L161 VanDerWaalsContact O-CG 3.32Å; R157-L161 WeakPolarHBondContact O-CG 3.27Å; R157-L161 PolarHBondContact O-N 3.08Å; T158-L161 PolarHBondContact O-N 2.95Å; L159-L161 VanDerWaalsContact C-N 3.29Å; L159-L161 PolarHBondContact O-N 3.42Å; L161-Q164 PolarHBondContact O-N 2.87Å; L161-A165 WeakPolarHBondContact O-CB 3.49Å; L161-A165 PolarHBondContact O-N 3.11Å |
| 162 | L | 89.4 | Confident | 81.6 | Confident | 109 Ų | 109 | 89.7 Ų | 89.7 | 57% | 0.571 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.9 | -43.1 | 177.5 | -68.5 | 172.9 | 0 | 0 | 0 | 111.6 | T158 L159 A165 S166 | T158-L162 HydrophobicContact CG2-CD1 4.18Å; T158-L162 WeakPolarHBondContact O-CG 3.49Å; T158-L162 PolarHBondContact O-N 3.25Å; L159-L162 PolarHBondContact O-N 2.9Å; L162-A165 PolarHBondContact O-N 2.88Å; L162-S166 WeakPolarHBondContact O-CB 3.29Å; L162-S166 PolarHBondContact O-N 3.11Å |
| 163 | T | 89.3 | Confident | 79.7 | Confident | 86 Ų | 86 | 90.7 Ų | 90.7 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.7 | -55.8 | 0 | 0 | 0 | 0 | 111.7 | L159 S166 L167 | L159-T163 PolarHBondContact O-N 3.18Å; L159-T163 PolarHBondContact O-OG1 3.36Å; L159-T163 VanDerWaalsContact O-OG1 3.05Å; T163-S166 PolarHBondContact O-N 3.16Å; T163-L167 HydrophobicContact CG2-CD1 4.37Å; T163-L167 WeakPolarHBondContact O-CG 3.36Å; T163-L167 PolarHBondContact O-N 3.4Å |
| 164 | Q | 84.6 | Confident | 78.1 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.7 | -44.4 | 176.4 | -75.7 | 169.3 | 86.7 | 0 | 0 | 112 | G76 Q160 L161 S166 L167 E168 | G76-Q164 PolarHBondContact O-OE1 3.33Å; Q160-Q164 WeakPolarHBondContact O-CB 3.35Å; Q160-Q164 WeakPolarHBondContact O-CG 3.33Å; Q160-Q164 PolarHBondContact O-N 3.31Å; Q160-Q164 VanDerWaalsContact O-N 3.11Å; Q160-Q164 PolarHBondContact O-NE2 3.02Å; L161-Q164 PolarHBondContact O-N 2.87Å; Q164-S166 PolarHBondContact O-N 3.13Å; Q164-L167 PolarHBondContact O-N 3.11Å; Q164-L167 VanDerWaalsContact O-N 3.11Å; Q164-E168 PolarHBondContact O-N 3.08Å; Q164-E168 VanDerWaalsContact O-N 3.11Å |
| 165 | A | 79.6 | Confident | 77.2 | Confident | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.2 | -33.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L161 L162 | L161-A165 WeakPolarHBondContact O-CB 3.49Å; L161-A165 PolarHBondContact O-N 3.11Å; L162-A165 PolarHBondContact O-N 2.88Å |
| 166 | S | 74.4 | Confident | 76.2 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 58% | 0.58 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -70.2 | -31.9 | 175.8 | -169.1 | 0 | 0 | 0 | 0 | 113.1 | L162 T163 Q164 | L162-S166 WeakPolarHBondContact O-CB 3.29Å; L162-S166 PolarHBondContact O-N 3.11Å; T163-S166 PolarHBondContact O-N 3.16Å; Q164-S166 PolarHBondContact O-N 3.13Å |
| 167 | L | 70 | Confident | 75.2 | Confident | 123 Ų | 123 | 99 Ų | 99 | 64% | 0.644 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -79.2 | -34.1 | -179.4 | -67.8 | 171.8 | 0 | 0 | 0 | 112.1 | T163 Q164 C169 | T163-L167 HydrophobicContact CG2-CD1 4.37Å; T163-L167 WeakPolarHBondContact O-CG 3.36Å; T163-L167 PolarHBondContact O-N 3.4Å; Q164-L167 PolarHBondContact O-N 3.11Å; Q164-L167 VanDerWaalsContact O-N 3.11Å; L167-C169 VanDerWaalsContact C-N 3.26Å; L167-C169 PolarHBondContact O-N 2.98Å |
| 168 | E | 63.3 | Low | 74.1 | Confident | 175 Ų | 175 | 102.4 Ų | 102.4 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -72.1 | -17.6 | 175.7 | -66.1 | -162.9 | 154.4 | 0 | 0 | 113.5 | Q164 | Q164-E168 PolarHBondContact O-N 3.08Å; Q164-E168 VanDerWaalsContact O-N 3.11Å |
| 169 | C | 58.6 | Low | 73 | Confident | 108 Ų | 108 | 105.3 Ų | 105.3 | 73% | 0.73 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | 3.4 | -179.9 | -147.2 | 0 | 0 | 0 | 0 | 113.9 | L167 P171 | L167-C169 VanDerWaalsContact C-N 3.26Å; L167-C169 PolarHBondContact O-N 2.98Å; C169-P171 WeakPolarHBondContact O-CD 3.35Å |
| 170 | S | 55 | Low | 71.7 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 57% | 0.566 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -80.2 | 114.7 | 174.4 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | S172 | S170-S172 PolarHBondContact O-N 2.88Å; S170-S172 VanDerWaalsContact O-N 3.13Å |
| 171 | P | 55.2 | Low | 70.3 | Confident | 111 Ų | 111 | 105.5 Ų | 105.5 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | trans | -64.7 | 119.5 | 175.7 | 27.2 | -31.6 | 0 | 0 | 0 | 107.8 | C169 S173 | C169-P171 WeakPolarHBondContact O-CD 3.35Å; P171-S173 PolarHBondContact O-N 3.05Å | ||
| 172 | S | 57.8 | Low | 68.9 | Low | 118 Ų | 118 | 109.6 Ų | 109.6 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | trans | -53.3 | 105.3 | 164.1 | 37.8 | 0 | 0 | 0 | 0 | 107.3 | S170 | S170-S172 PolarHBondContact O-N 2.88Å; S170-S172 VanDerWaalsContact O-N 3.13Å | ||
| 173 | S | 56.4 | Low | 67.2 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | trans | -65.8 | 137.9 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 108.8 | P171 | P171-S173 PolarHBondContact O-N 3.05Š| ||
| 174 | P | 62.3 | Low | 65.2 | Low | 200 Ų | 200 | 111.8 Ų | 111.8 | 100% | 1.299 | 70% | 0.703 | S | S | * | * | trans | -68 | 0 | -179 | 30 | -35.5 | 0 | 0 | 0 | 113.1 |
Retrieved 174 of 174 residues in 40.2 ms
(Link to these results)