| 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 | 40.8 | Very low | 35.1 | Very low | 235 Ų | 235 | 161.8 Ų | 161.8 | 100% | 1.158 | 86% | 0.864 | S | S | * | * | 0 | 100 | 0 | -77.7 | 175.1 | 171.7 | 0 | 0 | 107.9 | |||||
| 2 | L | 31.5 | Very low | 35.2 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 94% | 0.942 | 86% | 0.861 | S | S | * | * | trans | -94 | 118.7 | 176.8 | -78.1 | 153.5 | 0 | 0 | 0 | 107.3 | ||||
| 3 | Y | 32.7 | Very low | 35 | Very low | 233 Ų | 233 | 167.7 Ų | 167.7 | 91% | 0.914 | 86% | 0.864 | S | S | * | * | trans | -94.5 | 112 | 171 | -99 | -90.5 | 0 | 0 | 0 | 109.2 | ||||
| 4 | S | 34.9 | Very low | 34.9 | Very low | 117 Ų | 117 | 163.9 Ų | 163.9 | 82% | 0.818 | 86% | 0.857 | S | S | * | * | trans | -81.4 | 108.2 | 171.7 | 39 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | G | 34.3 | Very low | 35 | Very low | 64 Ų | 64 | 159.9 Ų | 159.9 | 66% | 0.66 | 85% | 0.845 | S | S | * | * | trans | -98.5 | 111.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 6 | T | 36.4 | Very low | 35.1 | Very low | 140 Ų | 140 | 165.7 Ų | 165.7 | 86% | 0.859 | 85% | 0.852 | S | S | * | * | trans | -79.1 | 118.7 | 179.5 | 15.4 | 0 | 0 | 0 | 0 | 110.8 | R8 | T6-R8 PolarHBondContact O-N 3.14Š| ||
| 7 | W | 36 | Very low | 35.1 | Very low | 245 Ų | 245 | 167.7 Ų | 167.7 | 93% | 0.928 | 85% | 0.853 | S | S | * | * | trans | -83.3 | 111.7 | 171.2 | -69.1 | 82.6 | 0 | 0 | 0 | 109.5 | ||||
| 8 | R | 33.3 | Very low | 34.9 | Very low | 232 Ų | 232 | 169.4 Ų | 169.4 | 88% | 0.875 | 85% | 0.854 | S | S | * | * | trans | -92.6 | 104.3 | 176.7 | -150.1 | -179 | -70.4 | -140.3 | 2.2 | 108.6 | T6 V10 | T6-R8 PolarHBondContact O-N 3.14Å; R8-V10 PolarHBondContact O-N 3Å | ||
| 9 | T | 37.9 | Very low | 35 | Very low | 136 Ų | 136 | 165.6 Ų | 165.6 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | trans | -72.7 | 110.6 | 173.3 | 32.5 | 0 | 0 | 0 | 0 | 110.1 | G11 | T9-G11 PolarHBondContact O-N 3.03Š| ||
| 10 | V | 35.9 | Very low | 35.1 | Very low | 125 Ų | 125 | 166.2 Ų | 166.2 | 76% | 0.758 | 85% | 0.85 | S | S | * | * | trans | -87.3 | 105.5 | 170.9 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | R8 I12 | R8-V10 PolarHBondContact O-N 3Å; V10-I12 PolarHBondContact O-N 3.1Å | ||
| 11 | G | 32.8 | Very low | 35.1 | Very low | 73 Ų | 73 | 164.2 Ų | 164.2 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | trans | -67.8 | 112 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T9 R13 | T9-G11 PolarHBondContact O-N 3.03Å; G11-R13 PolarHBondContact O-N 3.36Å | ||
| 12 | I | 35.4 | Very low | 34.8 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 83% | 0.831 | 82% | 0.822 | S | S | * | * | trans | -76 | 105.2 | 170.8 | -60.9 | 175.8 | 0 | 0 | 0 | 107.9 | V10 C14 | V10-I12 PolarHBondContact O-N 3.1Å; I12-C14 PolarHBondContact O-N 3.39Å | ||
| 13 | R | 32.8 | Very low | 34.9 | Very low | 238 Ų | 238 | 159 Ų | 159 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -77.4 | 109.9 | 175.3 | -164.2 | 179.4 | -70.8 | -165.1 | -1.5 | 108.5 | G11 | G11-R13 PolarHBondContact O-N 3.36Š| ||
| 14 | C | 34.2 | Very low | 35 | Very low | 114 Ų | 114 | 156.8 Ų | 156.8 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -78.3 | 124.2 | 177.9 | -154.8 | 0 | 0 | 0 | 0 | 110.3 | I12 R16 | I12-C14 PolarHBondContact O-N 3.39Å; C14-R16 PolarHBondContact O-N 2.92Å | ||
| 15 | P | 36.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 159.8 Ų | 159.8 | 68% | 0.682 | 82% | 0.818 | S | S | * | * | trans | -80.6 | 116.6 | 175.5 | 28.8 | -29 | 0 | 0 | 0 | 110.9 | K17 | P15-K17 PolarHBondContact O-N 3.33Å; P15-K17 VanDerWaalsContact O-N 3.14Å | ||
| 16 | R | 36.1 | Very low | 35 | Very low | 252 Ų | 252 | 165.8 Ų | 165.8 | 95% | 0.951 | 83% | 0.829 | S | S | * | * | trans | -52.6 | 110.3 | 164.8 | -84.5 | -179.9 | 172.6 | 178.8 | -2.3 | 109.7 | C14 | C14-R16 PolarHBondContact O-N 2.92Š| ||
| 17 | K | 35.3 | Very low | 34.7 | Very low | 200 Ų | 200 | 164.9 Ų | 164.9 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 122.7 | 164.6 | -74.4 | -172.6 | 177.7 | -176.5 | 0 | 109.5 | P15 | P15-K17 PolarHBondContact O-N 3.33Å; P15-K17 VanDerWaalsContact O-N 3.14Å |
| 18 | K | 31.7 | Very low | 34.5 | Very low | 199 Ų | 199 | 159.2 Ų | 159.2 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 129.9 | 171.2 | -71.9 | 175 | 174.2 | -179.9 | 0 | 109 | ||
| 19 | A | 37.1 | Very low | 34.5 | Very low | 96 Ų | 96 | 156.3 Ų | 156.3 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74 | 126.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 20 | Q | 35.6 | Very low | 34.1 | Very low | 178 Ų | 178 | 156.6 Ų | 156.6 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -120.1 | 107.3 | 170.6 | -166.1 | 152 | -30.2 | 0 | 0 | 107.7 | C22 | Q20-C22 PolarHBondContact O-N 3.47Š| ||
| 21 | I | 36.3 | Very low | 34 | Very low | 125 Ų | 125 | 160 Ų | 160 | 64% | 0.641 | 82% | 0.815 | S | S | * | * | trans | -63.9 | 121.5 | 172.1 | -66.3 | 160.1 | 0 | 0 | 0 | 107.3 | ||||
| 22 | C | 33.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 162.2 Ų | 162.2 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -104.1 | 115.4 | 163.6 | -92.3 | 0 | 0 | 0 | 0 | 108.4 | Q20 Q24 | Q20-C22 PolarHBondContact O-N 3.47Å; C22-Q24 PolarHBondContact O-N 2.98Å | ||
| 23 | Q | 34.8 | Very low | 34.8 | Very low | 187 Ų | 187 | 160 Ų | 160 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | -56.1 | 126 | 166.3 | -80 | 167.5 | -33.3 | 0 | 0 | 109.8 | Q25 | Q23-Q25 PolarHBondContact O-N 3.46Š| ||
| 24 | Q | 33.8 | Very low | 34.9 | Very low | 188 Ų | 188 | 156.9 Ų | 156.9 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -76.8 | 113.6 | 166.8 | -158.6 | 95.6 | 27.3 | 0 | 0 | 107.5 | C22 | C22-Q24 PolarHBondContact O-N 2.98Š| ||
| 25 | Q | 33.3 | Very low | 34.9 | Very low | 179 Ų | 179 | 162.3 Ų | 162.3 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 116.7 | 169.7 | -161.1 | 159.4 | 29.9 | 0 | 0 | 107.4 | Q23 C27 | Q23-Q25 PolarHBondContact O-N 3.46Å; Q25-C27 PolarHBondContact O-N 3.33Å |
| 26 | E | 35.7 | Very low | 34.9 | Very low | 190 Ų | 190 | 165.2 Ų | 165.2 | 89% | 0.888 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 116.7 | 170.4 | -80.3 | 170.2 | 122.7 | 0 | 0 | 109.1 | ||
| 27 | C | 31.1 | Very low | 34.8 | Very low | 121 Ų | 121 | 165.1 Ų | 165.1 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 120.5 | 165.8 | -96.9 | 0 | 0 | 0 | 0 | 109.2 | Q25 | Q25-C27 PolarHBondContact O-N 3.33Š|
| 28 | C | 31.2 | Very low | 34.7 | Very low | 126 Ų | 126 | 158.3 Ų | 158.3 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -51 | 136.9 | 170.8 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 29 | I | 32.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 158.9 Ų | 158.9 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -100.2 | 111.8 | 161.5 | -64 | 179.3 | 0 | 0 | 0 | 106.9 | ||||
| 30 | E | 31.3 | Very low | 34.6 | Very low | 141 Ų | 141 | 157.9 Ų | 157.9 | 66% | 0.659 | 81% | 0.814 | S | S | * | * | trans | -104.2 | 135.5 | 170.7 | -136.1 | -153.6 | 145.9 | 0 | 0 | 109.9 | ||||
| 31 | R | 32.9 | Very low | 34.5 | Very low | 198 Ų | 198 | 153.9 Ų | 153.9 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | trans | 78.7 | 160.8 | 154.4 | -63.8 | -169.7 | -165 | -165.4 | 7.2 | 120.3 | ||||
| 32 | P | 41.1 | Very low | 34.5 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | cis | -130.5 | -179.1 | 3.6 | 15.5 | 11.9 | 0 | 0 | 0 | 116 | ||||
| 33 | P | 43.8 | Very low | 34.5 | Very low | 115 Ų | 115 | 153.6 Ų | 153.6 | 75% | 0.747 | 81% | 0.814 | S | S | * | * | trans | -97.9 | 156.7 | -168.4 | 37.8 | -31.7 | 0 | 0 | 0 | 114 | ||||
| 34 | L | 35.9 | Very low | 34.5 | Very low | 174 Ų | 174 | 150.3 Ų | 150.3 | 91% | 0.911 | 81% | 0.807 | S | S | * | * | trans | -125.5 | 121.2 | 165.4 | -75.1 | 174.5 | 0 | 0 | 0 | 112.2 | ||||
| 35 | R | 32.6 | Very low | 34.5 | Very low | 227 Ų | 227 | 147.7 Ų | 147.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -4.5 | 122.8 | 159 | -75.1 | -179.3 | 177.1 | 176.2 | -0.7 | 117.5 | ||||
| 36 | L | 36.9 | Very low | 34.6 | Very low | 166 Ų | 166 | 145.3 Ų | 145.3 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | 63.7 | 108.4 | 87.8 | -81.5 | 163.8 | 0 | 0 | 0 | 115.1 | |||||
| 37 | R | 33.3 | Very low | 35.8 | Very low | 250 Ų | 250 | 141.7 Ų | 141.7 | 94% | 0.943 | 79% | 0.794 | S | S | * | * | trans | -135.3 | 117.9 | 148.8 | -149.1 | 178.1 | -152.6 | -171.8 | 5.8 | 108 | ||||
| 38 | G | 34.3 | Very low | 35.9 | Very low | 58 Ų | 58 | 146.8 Ų | 146.8 | 60% | 0.598 | 80% | 0.797 | S | S | * | * | trans | -94.4 | 165.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 39 | F | 33.9 | Very low | 36.1 | Very low | 210 Ų | 210 | 147.1 Ų | 147.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -156.3 | 117.7 | 149.4 | -92.1 | -85 | 0 | 0 | 0 | 102.6 | ||||
| 40 | G | 32.9 | Very low | 36.1 | Very low | 76 Ų | 76 | 145.3 Ų | 145.3 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | 71.8 | 117.6 | 61.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 41 | A | 33.6 | Very low | 36.3 | Very low | 93 Ų | 93 | 148.7 Ų | 148.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | cis | -159.6 | 146.7 | 17.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 42 | A | 35.1 | Very low | 36.8 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | 61.2 | 134.2 | 101.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 43 | L | 35.3 | Very low | 36.6 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | cis | -152.9 | 137.7 | 35.3 | -83.9 | 99.6 | 0 | 0 | 0 | 108.9 | ||||
| 44 | T | 34.8 | Very low | 36.8 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | 63.9 | 112.5 | 89 | -31.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 45 | T | 33.2 | Very low | 37.9 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | 176 | 125.7 | 120.9 | -73.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 46 | T | 35.6 | Very low | 38.1 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -95.5 | -163.2 | 175.2 | 48.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 47 | P | 60.8 | Low | 38.1 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | -122.7 | -173 | -102.1 | 35.9 | -15 | 0 | 0 | 0 | 112.4 | |||||
| 48 | R | 32.7 | Very low | 38.5 | Very low | 229 Ų | 229 | 127.2 Ų | 127.2 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | 133.4 | 150.9 | 158.8 | -85.3 | -171 | 178.8 | -164.5 | 1.8 | 110.9 | ||||
| 49 | L | 34.8 | Very low | 38.8 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 70% | 0.696 | 78% | 0.778 | S | S | * | * | cis | -171 | 150.8 | -18.6 | -154 | 98.1 | 0 | 0 | 0 | 104.4 | ||||
| 50 | H | 33.2 | Very low | 39 | Very low | 134 Ų | 134 | 126.3 Ų | 126.3 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | 81.9 | 110.5 | 148.4 | -104 | -121.4 | 0 | 0 | 0 | 123.3 | ||||
| 51 | R | 35.6 | Very low | 39.2 | Very low | 211 Ų | 211 | 131.7 Ų | 131.7 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | 60.4 | 165.5 | 127.4 | -80.2 | -164 | -163.3 | -178.5 | 4.3 | 121.1 | |||||
| 52 | P | 44 | Very low | 39.6 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -130.7 | 176.1 | -42.2 | 35.7 | -17.8 | 0 | 0 | 0 | 112.5 | ||||
| 53 | C | 35.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 81% | 0.811 | 77% | 0.768 | S | S | * | * | trans | -62.2 | 164.3 | 172 | -55.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 54 | P | 48.5 | Very low | 40.6 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | -146.4 | -178.6 | 89.3 | 38.5 | -18.2 | 0 | 0 | 0 | 114.4 | |||||
| 55 | P | 59.6 | Low | 41.4 | Very low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -107.2 | 165.7 | -149.6 | 41 | -33.5 | 0 | 0 | 0 | 114.4 | ||||
| 56 | T | 35.9 | Very low | 42.5 | Very low | 136 Ų | 136 | 138.3 Ų | 138.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -172.7 | 141.4 | 143 | 17.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 57 | S | 38.2 | Very low | 43.4 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | 55.6 | 116.9 | 152.8 | 60.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 58 | G | 40.3 | Very low | 43.5 | Very low | 80 Ų | 80 | 138.5 Ų | 138.5 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | 85.2 | 83.8 | 52.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 59 | A | 41.8 | Very low | 44.7 | Very low | 98 Ų | 98 | 134.4 Ų | 134.4 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | trans | -156.5 | 103.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | F61 | A59-F61 PolarHBondContact O-N 2.91Š| ||
| 60 | D | 38.1 | Very low | 46 | Very low | 151 Ų | 151 | 129.3 Ų | 129.3 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -58.5 | 117.5 | 174.7 | -59.4 | -61.6 | 0 | 0 | 0 | 111.3 | T62 | D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 HydrophobicContact CB-CG2 4.48Å; D60-T62 PolarHBondContact O-N 3.15Å | ||
| 61 | F | 36.7 | Very low | 47.9 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 83% | 0.833 | 73% | 0.725 | S | S | * | * | trans | -90.9 | 69.2 | 166.5 | -154.3 | -95 | 0 | 0 | 0 | 109.1 | A59 S63 | A59-F61 PolarHBondContact O-N 2.91Å; F61-S63 PolarHBondContact O-N 3.45Å | ||
| 62 | T | 42.3 | Very low | 49.8 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | trans | -65.3 | 113.7 | 166.7 | 44.6 | 0 | 0 | 0 | 0 | 109.7 | D60 | D60-T62 VanDerWaalsContact C-N 3.27Å; D60-T62 HydrophobicContact CB-CG2 4.48Å; D60-T62 PolarHBondContact O-N 3.15Å | ||
| 63 | S | 49.3 | Very low | 51.6 | Low | 89 Ų | 89 | 123.3 Ų | 123.3 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | 41 | 90.3 | 129.9 | -156.6 | 0 | 0 | 0 | 0 | 116.2 | F61 | F61-S63 PolarHBondContact O-N 3.45Š| |||
| 64 | R | 42.5 | Very low | 53.8 | Low | 219 Ų | 219 | 124.8 Ų | 124.8 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | -103.7 | 101.2 | 148.4 | -86.7 | -172.5 | -90.9 | -177.4 | -6 | 108.1 | L66 | R64-L66 PolarHBondContact O-N 3.04Š| ||
| 65 | N | 51.2 | Low | 55.4 | Low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | trans | -55.4 | 101.3 | 165.7 | -73 | -52.5 | 0 | 0 | 0 | 109.1 | ||||
| 66 | L | 54.8 | Low | 56.6 | Low | 156 Ų | 156 | 124.3 Ų | 124.3 | 82% | 0.817 | 69% | 0.691 | S | S | * | * | trans | -110 | 58.3 | 168.1 | -159.1 | 79.9 | 0 | 0 | 0 | 108.9 | R64 | R64-L66 PolarHBondContact O-N 3.04Š| ||
| 67 | F | 54.8 | Low | 59.1 | Low | 157 Ų | 157 | 122.4 Ų | 122.4 | 69% | 0.689 | 68% | 0.676 | S | S | * | * | trans | -132.5 | 111.5 | 176.7 | -71.7 | -57.8 | 0 | 0 | 0 | 108.8 | I71 | F67-I71 HydrophobicContact CB-CD1 3.57Å; F67-I71 HydrophobicContact CD1-CD1 3.57Å; F67-I71 HydrophobicContact CG-CD1 3.99Å | ||
| 68 | P | 63 | Low | 61.5 | Low | 90 Ų | 90 | 120.2 Ų | 120.2 | 58% | 0.584 | 66% | 0.66 | S | S | * | * | trans | -56.6 | 152.2 | 179.8 | 17.5 | -31.4 | 0 | 0 | 0 | 113.6 | G70 I71 | P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.1Å; P68-I71 HydrophobicContact CG-CD1 3.74Å; P68-I71 HydrophobicContact CG-CG1 4.37Å; P68-I71 PolarHBondContact O-N 3.08Å | ||
| 69 | P | 58.5 | Low | 64 | Low | 142 Ų | 142 | 118.2 Ų | 118.2 | 92% | 0.922 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 112.1 | -177.8 | 27.7 | -32.7 | 0 | 0 | 0 | 109.5 | ||
| 70 | G | 62.4 | Low | 66.6 | Low | 27 Ų | 27 | 121.8 Ų | 121.8 | 28% | 0.278 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 138.1 | -16.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P68 K72 D73 F74 | P68-G70 PolarHBondContact O-N 2.98Å; P68-G70 VanDerWaalsContact O-N 3.1Å; G70-K72 VanDerWaalsContact C-N 3.26Å; G70-K72 PolarHBondContact O-N 2.76Å; G70-D73 PolarHBondContact O-N 3.05Å; G70-D73 VanDerWaalsContact O-N 3.1Å; G70-F74 WeakPolarHBondContact O-CD2 3.31Å; G70-F74 PolarHBondContact O-N 3.33Å |
| 71 | I | 72.4 | Confident | 69.3 | Low | 50 Ų | 50 | 119.1 Ų | 119.1 | 26% | 0.256 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.8 | -29.4 | -177.2 | -74.1 | 174.6 | 0 | 0 | 0 | 113.3 | F67 P68 D73 F74 L75 | F67-I71 HydrophobicContact CB-CD1 3.57Å; F67-I71 HydrophobicContact CD1-CD1 3.57Å; F67-I71 HydrophobicContact CG-CD1 3.99Å; P68-I71 HydrophobicContact CG-CD1 3.74Å; P68-I71 HydrophobicContact CG-CG1 4.37Å; P68-I71 PolarHBondContact O-N 3.08Å; I71-D73 VanDerWaalsContact C-N 3.34Å; I71-F74 PolarHBondContact O-N 3.17Å; I71-L75 HydrophobicContact CG2-CD1 3.62Å; I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 WeakPolarHBondContact O-CD1 3.32Å; I71-L75 PolarHBondContact O-N 3.44Å |
| 72 | K | 76.1 | Confident | 71.9 | Confident | 171 Ų | 171 | 115.1 Ų | 115.1 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | 175.3 | -63.7 | 179.3 | -178.7 | -179.8 | 0 | 111.3 | G70 L75 L76 | G70-K72 VanDerWaalsContact C-N 3.26Å; G70-K72 PolarHBondContact O-N 2.76Å; K72-L75 PolarHBondContact O-N 3.35Å; K72-L76 WeakPolarHBondContact O-CB 3.13Å; K72-L76 WeakPolarHBondContact O-CD1 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 2.91Å |
| 73 | D | 80.7 | Confident | 74.4 | Confident | 111 Ų | 111 | 114.9 Ų | 114.9 | 59% | 0.594 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -71.7 | -36.4 | 177.3 | -57.2 | -47.8 | 0 | 0 | 0 | 111.3 | G70 I71 L76 L77 | G70-D73 PolarHBondContact O-N 3.05Å; G70-D73 VanDerWaalsContact O-N 3.1Å; I71-D73 VanDerWaalsContact C-N 3.34Å; D73-L76 PolarHBondContact O-N 3.4Å; D73-L77 WeakPolarHBondContact O-CB 3.33Å; D73-L77 PolarHBondContact O-N 2.96Å |
| 74 | F | 81.9 | Confident | 76.6 | Confident | 150 Ų | 150 | 116.2 Ų | 116.2 | 66% | 0.658 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.3 | -41.5 | 170.6 | -85.7 | -81.1 | 0 | 0 | 0 | 112.7 | G70 I71 L77 C78 | G70-F74 WeakPolarHBondContact O-CD2 3.31Å; G70-F74 PolarHBondContact O-N 3.33Å; I71-F74 PolarHBondContact O-N 3.17Å; F74-L77 PolarHBondContact O-N 2.97Å; F74-C78 WeakPolarHBondContact O-CB 3.23Å; F74-C78 PolarHBondContact O-N 3.16Å |
| 75 | L | 83.3 | Confident | 79.1 | Confident | 118 Ų | 118 | 110.6 Ų | 110.6 | 62% | 0.618 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.4 | -40.9 | 175 | -102 | 75.7 | 0 | 0 | 0 | 111.5 | I71 K72 C78 G79 | I71-L75 HydrophobicContact CG2-CD1 3.62Å; I71-L75 WeakPolarHBondContact O-CB 3.25Å; I71-L75 WeakPolarHBondContact O-CD1 3.32Å; I71-L75 PolarHBondContact O-N 3.44Å; K72-L75 PolarHBondContact O-N 3.35Å; L75-C78 PolarHBondContact O-N 2.93Å; L75-G79 PolarHBondContact O-N 3.48Å |
| 76 | L | 85.3 | Confident | 81.1 | Confident | 107 Ų | 107 | 106.6 Ų | 106.6 | 56% | 0.56 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.2 | -41.3 | 175.8 | -78.3 | 163.1 | 0 | 0 | 0 | 111.7 | K72 D73 R80 | K72-L76 WeakPolarHBondContact O-CB 3.13Å; K72-L76 WeakPolarHBondContact O-CD1 3.43Å; K72-L76 VanDerWaalsContact O-CG 3.27Å; K72-L76 WeakPolarHBondContact O-CG 3.41Å; K72-L76 PolarHBondContact O-N 2.91Å; D73-L76 PolarHBondContact O-N 3.4Å; L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 3.09Å; L76-R80 VanDerWaalsContact O-N 3.09Å |
| 77 | L | 88.3 | Confident | 83 | Confident | 97 Ų | 97 | 103.3 Ų | 103.3 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.8 | -44.9 | 175.9 | -173.5 | 65.2 | 0 | 0 | 0 | 111.3 | D73 F74 G79 R80 I81 | D73-L77 WeakPolarHBondContact O-CB 3.33Å; D73-L77 PolarHBondContact O-N 2.96Å; F74-L77 PolarHBondContact O-N 2.97Å; L77-G79 PolarHBondContact O-N 3.37Å; L77-R80 PolarHBondContact O-N 3.22Å; L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.46Å |
| 78 | C | 88.7 | Confident | 85 | Confident | 66 Ų | 66 | 100.4 Ų | 100.4 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | F74 L75 R80 I81 L82 | F74-C78 WeakPolarHBondContact O-CB 3.23Å; F74-C78 PolarHBondContact O-N 3.16Å; L75-C78 PolarHBondContact O-N 2.93Å; C78-R80 VanDerWaalsContact C-N 3.34Å; C78-R80 PolarHBondContact O-N 3.23Å; C78-I81 PolarHBondContact O-N 2.91Å; C78-L82 WeakPolarHBondContact O-CG 3.02Å; C78-L82 PolarHBondContact O-N 2.61Å |
| 79 | G | 93.3 | Very high | 86.5 | Confident | 39 Ų | 39 | 100 Ų | 100 | 40% | 0.402 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.1 | -40.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L75 L77 L82 L83 | L75-G79 PolarHBondContact O-N 3.48Å; L77-G79 PolarHBondContact O-N 3.37Å; G79-L82 PolarHBondContact O-N 3.12Å; G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 3.22Å |
| 80 | R | 94.4 | Very high | 88.1 | Confident | 172 Ų | 172 | 98.2 Ų | 98.2 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.1 | -41.5 | 175 | -73.3 | 176.7 | 179.8 | 176.7 | 1.4 | 112.3 | L76 L77 C78 L83 L84 | L76-R80 WeakPolarHBondContact O-CG 3.42Å; L76-R80 PolarHBondContact O-N 3.09Å; L76-R80 VanDerWaalsContact O-N 3.09Å; L77-R80 PolarHBondContact O-N 3.22Å; C78-R80 VanDerWaalsContact C-N 3.34Å; C78-R80 PolarHBondContact O-N 3.23Å; R80-L83 PolarHBondContact O-N 3.31Å; R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 2.96Å |
| 81 | I | 94.7 | Very high | 89.4 | Confident | 95 Ų | 95 | 100.3 Ų | 100.3 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -45.6 | 176.8 | -67.1 | 165.1 | 0 | 0 | 0 | 110.3 | L77 C78 L83 L84 L85 | L77-I81 HydrophobicContact CG-CD1 4.18Å; L77-I81 WeakPolarHBondContact O-CG1 3.36Å; L77-I81 PolarHBondContact O-N 3.46Å; C78-I81 PolarHBondContact O-N 2.91Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.44Å; I81-L84 PolarHBondContact O-N 3.45Å; I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.49Å |
| 82 | L | 93.3 | Very high | 90.2 | Very high | 106 Ų | 106 | 102 Ų | 102 | 56% | 0.555 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 177 | -68.8 | 174.6 | 0 | 0 | 0 | 112 | C78 G79 L85 A86 | C78-L82 WeakPolarHBondContact O-CG 3.02Å; C78-L82 PolarHBondContact O-N 2.61Å; G79-L82 PolarHBondContact O-N 3.12Å; L82-L85 PolarHBondContact O-N 3.31Å; L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.45Å |
| 83 | L | 94.4 | Very high | 90.7 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -44 | 175.2 | -174.6 | 69.9 | 0 | 0 | 0 | 111.8 | G79 R80 I81 L85 A86 L87 | G79-L83 WeakPolarHBondContact O-CB 3.3Å; G79-L83 PolarHBondContact O-N 3.22Å; R80-L83 PolarHBondContact O-N 3.31Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.44Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-A86 PolarHBondContact O-N 2.9Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.03Å |
| 84 | L | 94.5 | Very high | 91 | Very high | 116 Ų | 116 | 95.5 Ų | 95.5 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.6 | -39.8 | 175.7 | -71.2 | 172.9 | 0 | 0 | 0 | 111.4 | R80 I81 L87 L88 | R80-L84 WeakPolarHBondContact O-CB 3.48Å; R80-L84 VanDerWaalsContact O-CG 3.26Å; R80-L84 WeakPolarHBondContact O-CG 3.5Å; R80-L84 PolarHBondContact O-N 2.96Å; I81-L84 PolarHBondContact O-N 3.45Å; L84-L87 PolarHBondContact O-N 3.23Å; L84-L88 VanDerWaalsContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.28Å |
| 85 | L | 94.8 | Very high | 91.1 | Very high | 102 Ų | 102 | 91.5 Ų | 91.5 | 53% | 0.534 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 176.8 | -144.1 | 77.3 | 0 | 0 | 0 | 111.5 | I81 L82 L83 L88 T89 | I81-L85 WeakPolarHBondContact O-CB 3.47Å; I81-L85 PolarHBondContact O-N 3.49Å; L82-L85 PolarHBondContact O-N 3.31Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L85-L88 PolarHBondContact O-N 3.27Å; L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.15Å |
| 86 | A | 94.7 | Very high | 90.8 | Very high | 57 Ų | 57 | 88.8 Ų | 88.8 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L82 L83 T89 L90 | L82-A86 WeakPolarHBondContact O-CB 3.48Å; L82-A86 PolarHBondContact O-N 3.45Å; L83-A86 PolarHBondContact O-N 2.9Å; A86-T89 PolarHBondContact O-N 3.17Å; A86-L90 WeakPolarHBondContact O-CB 3.5Å; A86-L90 PolarHBondContact O-N 2.96Å |
| 87 | L | 94.8 | Very high | 90.2 | Very high | 87 Ų | 87 | 87.5 Ų | 87.5 | 46% | 0.455 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175 | -81.3 | 160.3 | 0 | 0 | 0 | 112.3 | L83 L84 T89 L90 T91 | L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 WeakPolarHBondContact O-CB 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.34Å; L83-L87 PolarHBondContact O-N 3.03Å; L84-L87 PolarHBondContact O-N 3.23Å; L87-T89 VanDerWaalsContact C-N 3.35Å; L87-L90 PolarHBondContact O-N 2.75Å; L87-T91 WeakPolarHBondContact O-CB 3.22Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.43Å; L87-T91 PolarHBondContact O-N 3.19Å; L87-T91 PolarHBondContact O-OG1 2.89Å |
| 88 | L | 95 | Very high | 89.4 | Confident | 97 Ų | 97 | 90.5 Ų | 90.5 | 51% | 0.508 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 175.6 | -175.6 | 66.4 | 0 | 0 | 0 | 110.8 | L84 L85 L90 T91 I92 | L84-L88 VanDerWaalsContact O-CB 3.27Å; L84-L88 WeakPolarHBondContact O-CB 3.46Å; L84-L88 PolarHBondContact O-N 3.28Å; L85-L88 PolarHBondContact O-N 3.27Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.25Å; L88-T91 WeakPolarHBondContact CA-OG1 3.48Å; L88-T91 PolarHBondContact O-N 3.3Å; L88-T91 PolarHBondContact O-OG1 2.85Å; L88-I92 HydrophobicContact CD1-CD1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.91Å; L88-I92 WeakPolarHBondContact O-CB 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.74Å |
| 89 | T | 94.8 | Very high | 88.4 | Confident | 80 Ų | 80 | 92.1 Ų | 92.1 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177.3 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | L85 A86 L87 S93 | L85-T89 WeakPolarHBondContact O-CB 3.47Å; L85-T89 PolarHBondContact O-N 3.38Å; L85-T89 PolarHBondContact O-OG1 3.15Å; A86-T89 PolarHBondContact O-N 3.17Å; L87-T89 VanDerWaalsContact C-N 3.35Å; T89-S93 VanDerWaalsContact O-CB 3.31Å; T89-S93 WeakPolarHBondContact O-CB 3.46Å; T89-S93 PolarHBondContact O-N 3.08Å; T89-S93 PolarHBondContact O-OG 3.17Å |
| 90 | L | 92.4 | Very high | 87 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.4 | -44.8 | 176 | -175.7 | 67 | 0 | 0 | 0 | 111.6 | A86 L87 L88 S93 V94 | A86-L90 WeakPolarHBondContact O-CB 3.5Å; A86-L90 PolarHBondContact O-N 2.96Å; L87-L90 PolarHBondContact O-N 2.75Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 3.25Å; L90-S93 PolarHBondContact O-N 3.31Å; L90-V94 HydrophobicContact CD1-CG2 4.39Å; L90-V94 WeakPolarHBondContact O-CB 3.38Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.64Å |
| 91 | T | 89.9 | Confident | 85.5 | Confident | 71 Ų | 71 | 91.7 Ų | 91.7 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.5 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | L87 L88 S93 V94 T95 | L87-T91 WeakPolarHBondContact O-CB 3.22Å; L87-T91 VanDerWaalsContact O-CG2 3.28Å; L87-T91 WeakPolarHBondContact O-CG2 3.43Å; L87-T91 PolarHBondContact O-N 3.19Å; L87-T91 PolarHBondContact O-OG1 2.89Å; L88-T91 WeakPolarHBondContact CA-OG1 3.48Å; L88-T91 PolarHBondContact O-N 3.3Å; L88-T91 PolarHBondContact O-OG1 2.85Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.02Å; T91-V94 PolarHBondContact O-N 2.79Å; T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.42Å; T91-T95 WeakPolarHBondContact O-CG2 3.3Å; T91-T95 PolarHBondContact O-N 2.81Å; T91-T95 PolarHBondContact O-OG1 2.93Å |
| 92 | I | 90.2 | Very high | 83.7 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 171.6 | -67.1 | 166.2 | 0 | 0 | 0 | 110.3 | L88 T95 T96 | L88-I92 HydrophobicContact CD1-CD1 4.21Å; L88-I92 HydrophobicContact CG-CD1 3.91Å; L88-I92 WeakPolarHBondContact O-CB 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.29Å; L88-I92 PolarHBondContact O-N 2.74Å; I92-T95 WeakPolarHBondContact CA-OG1 3.33Å; I92-T95 PolarHBondContact O-N 3.46Å; I92-T95 PolarHBondContact O-OG1 3.44Å; I92-T96 HydrophobicContact CG2-CG2 3.83Å; I92-T96 WeakPolarHBondContact O-CA 3.42Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 2.81Å; I92-T96 PolarHBondContact O-OG1 3.09Å |
| 93 | S | 84.8 | Confident | 81.9 | Confident | 62 Ų | 62 | 96.7 Ų | 96.7 | 43% | 0.434 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | -179.8 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | T89 L90 T91 T96 S97 | T89-S93 VanDerWaalsContact O-CB 3.31Å; T89-S93 WeakPolarHBondContact O-CB 3.46Å; T89-S93 PolarHBondContact O-N 3.08Å; T89-S93 PolarHBondContact O-OG 3.17Å; L90-S93 PolarHBondContact O-N 3.31Å; T91-S93 VanDerWaalsContact C-N 3.35Å; T91-S93 PolarHBondContact O-N 3.02Å; S93-T96 PolarHBondContact O-OG1 3Å; S93-S97 WeakPolarHBondContact O-CB 3.18Å; S93-S97 PolarHBondContact O-N 3.4Å |
| 94 | V | 87.4 | Confident | 80.1 | Confident | 83 Ų | 83 | 93.8 Ų | 93.8 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | L90 T91 W98 | L90-V94 HydrophobicContact CD1-CG2 4.39Å; L90-V94 WeakPolarHBondContact O-CB 3.38Å; L90-V94 VanDerWaalsContact O-CG2 3.29Å; L90-V94 WeakPolarHBondContact O-CG2 3.46Å; L90-V94 PolarHBondContact O-N 2.64Å; T91-V94 PolarHBondContact O-N 2.79Å; V94-W98 WeakPolarHBondContact O-CB 3.34Å; V94-W98 PolarHBondContact O-N 3.2Å |
| 95 | T | 84.8 | Confident | 78.5 | Confident | 65 Ų | 65 | 93 Ų | 93 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.9 | -40.2 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 112.2 | T91 I92 W98 L99 | T91-T95 VanDerWaalsContact O-CB 3.25Å; T91-T95 WeakPolarHBondContact O-CB 3.42Å; T91-T95 WeakPolarHBondContact O-CG2 3.3Å; T91-T95 PolarHBondContact O-N 2.81Å; T91-T95 PolarHBondContact O-OG1 2.93Å; I92-T95 WeakPolarHBondContact CA-OG1 3.33Å; I92-T95 PolarHBondContact O-N 3.46Å; I92-T95 PolarHBondContact O-OG1 3.44Å; T95-W98 PolarHBondContact O-N 3.12Å; T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 WeakPolarHBondContact O-CD1 3.47Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 3.47Å |
| 96 | T | 77 | Confident | 76.7 | Confident | 62 Ų | 62 | 95.6 Ų | 95.6 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 174.2 | 55.8 | 0 | 0 | 0 | 0 | 111.4 | I92 S93 L99 N100 | I92-T96 HydrophobicContact CG2-CG2 3.83Å; I92-T96 WeakPolarHBondContact O-CA 3.42Å; I92-T96 WeakPolarHBondContact O-CB 3.23Å; I92-T96 WeakPolarHBondContact O-CG2 3.38Å; I92-T96 PolarHBondContact O-N 2.81Å; I92-T96 PolarHBondContact O-OG1 3.09Å; S93-T96 PolarHBondContact O-OG1 3Å; T96-L99 PolarHBondContact O-N 3.23Å; T96-N100 WeakPolarHBondContact O-CB 3.37Å; T96-N100 PolarHBondContact O-N 3.03Å; T96-N100 PolarHBondContact O-ND2 2.81Å |
| 97 | S | 72.3 | Confident | 74.8 | Confident | 79 Ų | 79 | 97.5 Ų | 97.5 | 55% | 0.552 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.8 | -43.3 | 173.5 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | S93 S101 | S93-S97 WeakPolarHBondContact O-CB 3.18Å; S93-S97 PolarHBondContact O-N 3.4Å; S97-S101 VanDerWaalsContact O-CB 3.26Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 3.27Å |
| 98 | W | 71.2 | Confident | 73.1 | Confident | 160 Ų | 160 | 100.9 Ų | 100.9 | 61% | 0.606 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -70.3 | -41.6 | 177.8 | -166.1 | 10.3 | 0 | 0 | 0 | 112.8 | V94 T95 S101 F102 | V94-W98 WeakPolarHBondContact O-CB 3.34Å; V94-W98 PolarHBondContact O-N 3.2Å; T95-W98 PolarHBondContact O-N 3.12Å; W98-S101 WeakPolarHBondContact O-CB 3.46Å; W98-S101 PolarHBondContact O-N 2.89Å; W98-F102 AromaticContact CD1-CD2 3.46Å; W98-F102 VanDerWaalsContact CD1-CD2 3.46Å; W98-F102 AromaticContact CD1-CE2 3.34Å; W98-F102 HydrophobicContact CD2-CE2 4.23Å; W98-F102 AromaticContact CE2-CE2 3.42Å; W98-F102 VanDerWaalsContact CE2-CE2 3.42Å; W98-F102 HydrophobicContact CG-CD2 4.24Å; W98-F102 HydrophobicContact CG-CE2 4.17Å; W98-F102 AromaticContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CZ 4.4Å; W98-F102 AromaticContact NE1-CD2 3.51Å; W98-F102 AromaticContact NE1-CE2 2.84Å; W98-F102 AromaticContact NE1-CZ 3.45Å; W98-F102 WeakPolarHBondContact O-CD2 3.44Å; W98-F102 PolarHBondContact O-N 3.37Å |
| 99 | L | 68.6 | Low | 71.7 | Confident | 101 Ų | 101 | 101.4 Ų | 101.4 | 53% | 0.529 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 175 | -72.2 | 168.3 | 0 | 0 | 0 | 111.9 | T95 T96 S101 F102 K103 | T95-L99 WeakPolarHBondContact O-CB 3.33Å; T95-L99 WeakPolarHBondContact O-CD1 3.47Å; T95-L99 WeakPolarHBondContact O-CG 3.48Å; T95-L99 PolarHBondContact O-N 3.47Å; T96-L99 PolarHBondContact O-N 3.23Å; L99-S101 VanDerWaalsContact C-N 3.31Å; L99-F102 PolarHBondContact O-N 3.11Å; L99-K103 WeakPolarHBondContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.69Å |
| 100 | N | 63.1 | Low | 70.3 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 58% | 0.578 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.9 | -27.5 | 172.8 | -69.9 | -26.3 | 0 | 0 | 0 | 111.6 | T96 K103 | T96-N100 WeakPolarHBondContact O-CB 3.37Å; T96-N100 PolarHBondContact O-N 3.03Å; T96-N100 PolarHBondContact O-ND2 2.81Å; N100-K103 VanDerWaalsContact O-O 3.06Å |
| 101 | S | 62.2 | Low | 69.4 | Low | 94 Ų | 94 | 106.1 Ų | 106.1 | 66% | 0.657 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.9 | -34.2 | 171 | 179.1 | 0 | 0 | 0 | 0 | 112.4 | S97 W98 L99 | S97-S101 VanDerWaalsContact O-CB 3.26Å; S97-S101 WeakPolarHBondContact O-CB 3.34Å; S97-S101 PolarHBondContact O-N 3.27Å; W98-S101 WeakPolarHBondContact O-CB 3.46Å; W98-S101 PolarHBondContact O-N 2.89Å; L99-S101 VanDerWaalsContact C-N 3.31Å |
| 102 | F | 58.5 | Low | 68.7 | Low | 151 Ų | 151 | 107.7 Ų | 107.7 | 66% | 0.662 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -79.9 | -33.8 | 175.5 | -84.6 | -58.6 | 0 | 0 | 0 | 113.1 | W98 L99 S104 | W98-F102 AromaticContact CD1-CD2 3.46Å; W98-F102 VanDerWaalsContact CD1-CD2 3.46Å; W98-F102 AromaticContact CD1-CE2 3.34Å; W98-F102 HydrophobicContact CD2-CE2 4.23Å; W98-F102 AromaticContact CE2-CE2 3.42Å; W98-F102 VanDerWaalsContact CE2-CE2 3.42Å; W98-F102 HydrophobicContact CG-CD2 4.24Å; W98-F102 HydrophobicContact CG-CE2 4.17Å; W98-F102 AromaticContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CE2 3.94Å; W98-F102 HydrophobicContact CZ2-CZ 4.4Å; W98-F102 AromaticContact NE1-CD2 3.51Å; W98-F102 AromaticContact NE1-CE2 2.84Å; W98-F102 AromaticContact NE1-CZ 3.45Å; W98-F102 WeakPolarHBondContact O-CD2 3.44Å; W98-F102 PolarHBondContact O-N 3.37Å; L99-F102 PolarHBondContact O-N 3.11Å; F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.81Å |
| 103 | K | 55.8 | Low | 68.1 | Low | 155 Ų | 155 | 107.8 Ų | 107.8 | 67% | 0.674 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -76.5 | 81.4 | 169.3 | -71.5 | -175.1 | 179.4 | -177.7 | 0 | 108.4 | L99 N100 P105 | L99-K103 WeakPolarHBondContact O-CB 3.29Å; L99-K103 WeakPolarHBondContact O-CG 3.41Å; L99-K103 PolarHBondContact O-N 2.69Å; N100-K103 VanDerWaalsContact O-O 3.06Å; K103-P105 WeakPolarHBondContact O-CD 3.37Å; K103-P105 VanDerWaalsContact O-N 3.14Å |
| 104 | S | 54.9 | Low | 68.1 | Low | 48 Ų | 48 | 109.4 Ų | 109.4 | 34% | 0.336 | 56% | 0.555 | S | S | . | * | trans | -51.7 | 126.4 | 173.8 | 85.7 | 0 | 0 | 0 | 0 | 108.6 | F102 Q106 V107 | F102-S104 VanDerWaalsContact C-N 3.25Å; F102-S104 PolarHBondContact O-N 2.81Å; S104-Q106 PolarHBondContact O-N 3.39Å; S104-V107 PolarHBondContact O-N 3.33Å; S104-V107 VanDerWaalsContact O-N 3.17Å; S104-V107 WeakPolarHBondContact OG-CG2 3.3Å; S104-V107 PolarHBondContact OG-N 2.94Å | ||
| 105 | P | 60.8 | Low | 68.1 | Low | 98 Ų | 98 | 111.3 Ų | 111.3 | 64% | 0.636 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -55 | -23.8 | 179.6 | -27.7 | 34.4 | 0 | 0 | 0 | 112.6 | K103 L109 | K103-P105 WeakPolarHBondContact O-CD 3.37Å; K103-P105 VanDerWaalsContact O-N 3.14Å; P105-L109 WeakPolarHBondContact O-CB 3.32Å; P105-L109 WeakPolarHBondContact O-CD1 3.37Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.2Å; P105-L109 PolarHBondContact O-N 3.4Å |
| 106 | Q | 56.9 | Low | 68.3 | Low | 158 Ų | 158 | 111.7 Ų | 111.7 | 74% | 0.738 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.3 | -31.4 | -176.2 | -148.5 | -173.1 | 45.1 | 0 | 0 | 113.9 | S104 K110 | S104-Q106 PolarHBondContact O-N 3.39Å; Q106-K110 VanDerWaalsContact O-CB 3.23Å; Q106-K110 WeakPolarHBondContact O-CB 3.36Å; Q106-K110 PolarHBondContact O-N 3.1Å |
| 107 | V | 56.4 | Low | 69 | Low | 96 Ų | 96 | 113 Ų | 113 | 58% | 0.582 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -80 | -41 | -178 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | S104 K110 E111 | S104-V107 PolarHBondContact O-N 3.33Å; S104-V107 VanDerWaalsContact O-N 3.17Å; S104-V107 WeakPolarHBondContact OG-CG2 3.3Å; S104-V107 PolarHBondContact OG-N 2.94Å; V107-K110 PolarHBondContact O-N 3.36Å; V107-E111 PolarHBondContact O-N 3.38Å |
| 108 | Y | 59.1 | Low | 70 | Confident | 159 Ų | 159 | 115.1 Ų | 115.1 | 62% | 0.624 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.2 | -45 | 178.3 | -173.3 | -96.2 | 0 | 0 | 0 | 112.2 | K110 E111 E112 | Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 3.25Å; Y108-E111 PolarHBondContact O-N 3.03Å; Y108-E112 PolarHBondContact O-N 3.3Å |
| 109 | L | 64.8 | Low | 71 | Confident | 107 Ų | 107 | 115.3 Ų | 115.3 | 56% | 0.56 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.4 | -38.2 | 177.4 | -75.5 | 173.3 | 0 | 0 | 0 | 112.2 | P105 E112 E113 | P105-L109 WeakPolarHBondContact O-CB 3.32Å; P105-L109 WeakPolarHBondContact O-CD1 3.37Å; P105-L109 VanDerWaalsContact O-CG 3.28Å; P105-L109 WeakPolarHBondContact O-CG 3.2Å; P105-L109 PolarHBondContact O-N 3.4Å; L109-E112 PolarHBondContact O-N 2.79Å; L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.49Å; L109-E113 PolarHBondContact O-N 3.22Å |
| 110 | K | 66.1 | Low | 72.1 | Confident | 149 Ų | 149 | 115 Ų | 115 | 65% | 0.648 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.4 | -36.8 | -178.3 | -165.8 | 172.5 | -174.2 | 175.8 | 0 | 112.6 | Q106 V107 Y108 E114 | Q106-K110 VanDerWaalsContact O-CB 3.23Å; Q106-K110 WeakPolarHBondContact O-CB 3.36Å; Q106-K110 PolarHBondContact O-N 3.1Å; V107-K110 PolarHBondContact O-N 3.36Å; Y108-K110 VanDerWaalsContact C-N 3.29Å; Y108-K110 PolarHBondContact O-N 3.25Å; K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 PolarHBondContact O-N 2.85Å |
| 111 | E | 73.6 | Confident | 73.6 | Confident | 135 Ų | 135 | 115.5 Ų | 115.5 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.3 | -39.2 | 174.9 | -168.8 | 180 | 173.1 | 0 | 0 | 111.5 | V107 Y108 K115 | V107-E111 PolarHBondContact O-N 3.38Å; Y108-E111 PolarHBondContact O-N 3.03Å; E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 3.04Å |
| 112 | E | 74.9 | Confident | 75.2 | Confident | 104 Ų | 104 | 115.6 Ų | 115.6 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 176.5 | -162.7 | 177.2 | -167.2 | 0 | 0 | 112.1 | Y108 L109 K115 N116 | Y108-E112 PolarHBondContact O-N 3.3Å; L109-E112 PolarHBondContact O-N 2.79Å; E112-K115 PolarHBondContact O-N 2.93Å; E112-N116 WeakPolarHBondContact O-CB 3.46Å; E112-N116 PolarHBondContact O-N 3.01Å |
| 113 | E | 78.3 | Confident | 76.9 | Confident | 89 Ų | 89 | 112.8 Ų | 112.8 | 42% | 0.416 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 174.4 | -169.6 | 179.1 | -176.7 | 0 | 0 | 111.4 | L109 K115 N116 E117 | L109-E113 VanDerWaalsContact O-CB 3.28Å; L109-E113 WeakPolarHBondContact O-CB 3.49Å; L109-E113 PolarHBondContact O-N 3.22Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 2.92Å; E113-N116 WeakPolarHBondContact CA-ND2 3.41Å; E113-N116 PolarHBondContact O-N 3.04Å; E113-N116 PolarHBondContact O-ND2 3.25Å; E113-N116 PolarHBondContact O-OD1 2.92Å; E113-N116 VanDerWaalsContact O-OD1 3.14Å; E113-E117 WeakPolarHBondContact O-CB 3.23Å; E113-E117 PolarHBondContact O-N 3.22Å |
| 114 | E | 84 | Confident | 78.8 | Confident | 96 Ų | 96 | 112.5 Ų | 112.5 | 45% | 0.449 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 177.4 | -172.1 | -176.4 | 159.4 | 0 | 0 | 111.8 | K110 E117 K118 | K110-E114 WeakPolarHBondContact O-CB 3.45Å; K110-E114 PolarHBondContact O-N 2.85Å; E114-E117 PolarHBondContact O-N 3.46Å; E114-K118 HydrophobicContact CG-CD 4.39Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.21Å; E114-K118 IonicContact OE1-NZ 2.63Å; E114-K118 PolarHBondContact OE1-NZ 2.96Å |
| 115 | K | 86.8 | Confident | 80.8 | Confident | 124 Ų | 124 | 116 Ų | 116 | 54% | 0.539 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 176.9 | -168.7 | 176.9 | -177.5 | 177.1 | 0 | 111.6 | E111 E112 E113 E117 R119 | E111-K115 WeakPolarHBondContact O-CB 3.48Å; E111-K115 PolarHBondContact O-N 3.04Å; E112-K115 PolarHBondContact O-N 2.93Å; E113-K115 VanDerWaalsContact C-N 3.31Å; E113-K115 PolarHBondContact O-N 2.92Å; K115-E117 VanDerWaalsContact C-N 3.33Å; K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.25Å; K115-R119 VanDerWaalsContact O-N 3.09Å |
| 116 | N | 89.2 | Confident | 82.5 | Confident | 72 Ų | 72 | 117.5 Ų | 117.5 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174 | 93.9 | 35.6 | 0 | 0 | 0 | 110.4 | E112 E113 K118 R119 Q120 | E112-N116 WeakPolarHBondContact O-CB 3.46Å; E112-N116 PolarHBondContact O-N 3.01Å; E113-N116 WeakPolarHBondContact CA-ND2 3.41Å; E113-N116 PolarHBondContact O-N 3.04Å; E113-N116 PolarHBondContact O-ND2 3.25Å; E113-N116 PolarHBondContact O-OD1 2.92Å; E113-N116 VanDerWaalsContact O-OD1 3.14Å; N116-K118 PolarHBondContact O-N 3.47Å; N116-R119 WeakPolarHBondContact O-CB 3.28Å; N116-R119 PolarHBondContact O-N 2.89Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 2.96Å |
| 117 | E | 91.8 | Very high | 84.3 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 42% | 0.416 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | -175.9 | -164.9 | -165.5 | 159.7 | 0 | 0 | 110 | E113 E114 K115 R119 Q120 K121 | E113-E117 WeakPolarHBondContact O-CB 3.23Å; E113-E117 PolarHBondContact O-N 3.22Å; E114-E117 PolarHBondContact O-N 3.46Å; K115-E117 VanDerWaalsContact C-N 3.33Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.23Å; E117-Q120 PolarHBondContact O-N 3.5Å; E117-K121 HydrophobicContact CG-CD 4.36Å; E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 WeakPolarHBondContact O-CG 3.27Å; E117-K121 PolarHBondContact O-N 3.41Å; E117-K121 WeakPolarHBondContact OE1-CE 3.43Å; E117-K121 IonicContact OE1-NZ 3.92Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å |
| 118 | K | 94.1 | Very high | 86.2 | Confident | 125 Ų | 125 | 118.4 Ų | 118.4 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 172.3 | -74.8 | 172.8 | -177.3 | 169.3 | 0 | 111.9 | E114 N116 K121 L122 | E114-K118 HydrophobicContact CG-CD 4.39Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.38Å; E114-K118 PolarHBondContact O-N 2.88Å; E114-K118 WeakPolarHBondContact OE1-CE 3.21Å; E114-K118 IonicContact OE1-NZ 2.63Å; E114-K118 PolarHBondContact OE1-NZ 2.96Å; N116-K118 PolarHBondContact O-N 3.47Å; K118-K121 PolarHBondContact O-N 2.74Å; K118-L122 WeakPolarHBondContact O-CB 3.37Å; K118-L122 PolarHBondContact O-N 2.75Å |
| 119 | R | 92.2 | Very high | 87.9 | Confident | 164 Ų | 164 | 115.9 Ų | 115.9 | 62% | 0.619 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.2 | -46 | 176.4 | -75.3 | 175.9 | 176.4 | -145.1 | -2.6 | 111.4 | K115 N116 E117 L122 V123 | K115-R119 VanDerWaalsContact O-CG 3.3Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; K115-R119 PolarHBondContact O-N 3.25Å; K115-R119 VanDerWaalsContact O-N 3.09Å; N116-R119 WeakPolarHBondContact O-CB 3.28Å; N116-R119 PolarHBondContact O-N 2.89Å; N116-R119 VanDerWaalsContact O-N 3.17Å; E117-R119 VanDerWaalsContact C-N 3.34Å; E117-R119 PolarHBondContact O-N 3.23Å; R119-L122 PolarHBondContact O-N 3.47Å; R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.26Å |
| 120 | Q | 90.3 | Very high | 89.4 | Confident | 94 Ų | 94 | 112.9 Ų | 112.9 | 44% | 0.439 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 177.7 | -67 | -174.5 | 16.9 | 0 | 0 | 112.2 | N116 E117 L122 V123 R124 | N116-Q120 WeakPolarHBondContact O-CG 3.35Å; N116-Q120 PolarHBondContact O-N 2.96Å; E117-Q120 PolarHBondContact O-N 3.5Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.39Å; Q120-V123 PolarHBondContact O-N 3.01Å; Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.39Å |
| 121 | K | 95.1 | Very high | 90.7 | Very high | 118 Ų | 118 | 111 Ų | 111 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 174.9 | -78.2 | 171.3 | 169 | 167.3 | 0 | 111.7 | E117 K118 R124 K125 | E117-K121 HydrophobicContact CG-CD 4.36Å; E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 WeakPolarHBondContact O-CG 3.27Å; E117-K121 PolarHBondContact O-N 3.41Å; E117-K121 WeakPolarHBondContact OE1-CE 3.43Å; E117-K121 IonicContact OE1-NZ 3.92Å; E117-K121 PolarHBondContact OE1-NZ 2.88Å; K118-K121 PolarHBondContact O-N 2.74Å; K121-R124 PolarHBondContact O-N 2.94Å; K121-K125 WeakPolarHBondContact O-CB 3.32Å; K121-K125 PolarHBondContact O-N 3.33Å |
| 122 | L | 95.8 | Very high | 91.8 | Very high | 96 Ų | 96 | 106.2 Ų | 106.2 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 177.2 | -176 | 66.2 | 0 | 0 | 0 | 112 | K118 R119 Q120 K125 K126 | K118-L122 WeakPolarHBondContact O-CB 3.37Å; K118-L122 PolarHBondContact O-N 2.75Å; R119-L122 PolarHBondContact O-N 3.47Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.39Å; L122-K125 PolarHBondContact O-N 3.25Å; L122-K126 WeakPolarHBondContact O-CG 3.28Å; L122-K126 PolarHBondContact O-N 2.84Å |
| 123 | V | 95 | Very high | 92.9 | Very high | 93 Ų | 93 | 106.3 Ų | 106.3 | 56% | 0.564 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.8 | -47.4 | 177.3 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | R119 Q120 K125 K126 Q127 | R119-V123 WeakPolarHBondContact O-CG2 3.42Å; R119-V123 PolarHBondContact O-N 3.26Å; Q120-V123 PolarHBondContact O-N 3.01Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.35Å; V123-K126 PolarHBondContact O-N 3Å; V123-Q127 WeakPolarHBondContact O-CB 3.49Å; V123-Q127 PolarHBondContact O-N 2.91Å |
| 124 | R | 95 | Very high | 93.8 | Very high | 149 Ų | 149 | 108 Ų | 108 | 56% | 0.562 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 177.1 | -70.3 | -179 | -177.1 | 105.2 | 3.8 | 111.9 | Q120 K121 Q127 Q128 | Q120-R124 WeakPolarHBondContact O-CG 3.43Å; Q120-R124 PolarHBondContact O-N 3.39Å; K121-R124 PolarHBondContact O-N 2.94Å; R124-Q127 PolarHBondContact O-N 2.99Å; R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.36Å |
| 125 | K | 97 | Very high | 94.3 | Very high | 122 Ų | 122 | 105.9 Ų | 105.9 | 53% | 0.53 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 177.7 | -177.4 | 174.9 | 172.6 | 178.2 | 0 | 111.8 | K121 L122 V123 Q127 Q128 E129 | K121-K125 WeakPolarHBondContact O-CB 3.32Å; K121-K125 PolarHBondContact O-N 3.33Å; L122-K125 PolarHBondContact O-N 3.25Å; V123-K125 VanDerWaalsContact C-N 3.34Å; V123-K125 PolarHBondContact O-N 3.35Å; K125-Q127 VanDerWaalsContact C-N 3.29Å; K125-Q127 PolarHBondContact O-N 2.85Å; K125-Q128 PolarHBondContact O-N 3.49Å; K125-Q128 VanDerWaalsContact O-N 3.17Å; K125-E129 WeakPolarHBondContact CE-OE1 3.49Å; K125-E129 HydrophobicContact CG-CG 4.5Å; K125-E129 IonicContact NZ-OE1 2.62Å; K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.25Å |
| 126 | K | 96.6 | Very high | 94.8 | Very high | 129 Ų | 129 | 103.3 Ų | 103.3 | 56% | 0.561 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.9 | -39.7 | 176.7 | -75.5 | -173.9 | 175.7 | -170.8 | 0 | 112.3 | L122 V123 E129 A130 | L122-K126 WeakPolarHBondContact O-CG 3.28Å; L122-K126 PolarHBondContact O-N 2.84Å; V123-K126 PolarHBondContact O-N 3Å; K126-E129 PolarHBondContact O-N 2.83Å; K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 2.89Å |
| 127 | Q | 94.4 | Very high | 95.2 | Very high | 123 Ų | 123 | 106 Ų | 106 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66 | -41.8 | 176.8 | -169.6 | 173.6 | 6.1 | 0 | 0 | 111.5 | V123 R124 K125 A130 Q131 | V123-Q127 WeakPolarHBondContact O-CB 3.49Å; V123-Q127 PolarHBondContact O-N 2.91Å; R124-Q127 PolarHBondContact O-N 2.99Å; K125-Q127 VanDerWaalsContact C-N 3.29Å; K125-Q127 PolarHBondContact O-N 2.85Å; Q127-A130 PolarHBondContact O-N 3.29Å; Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 3.05Å |
| 128 | Q | 95.4 | Very high | 95.4 | Very high | 150 Ų | 150 | 107.9 Ų | 107.9 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.1 | -41.3 | 176 | -171.9 | 175.7 | 4.6 | 0 | 0 | 112 | R124 K125 Q131 G132 | R124-Q128 WeakPolarHBondContact O-CB 3.37Å; R124-Q128 PolarHBondContact O-N 3.36Å; K125-Q128 PolarHBondContact O-N 3.49Å; K125-Q128 VanDerWaalsContact O-N 3.17Å; Q128-Q131 PolarHBondContact O-N 3.38Å; Q128-G132 PolarHBondContact O-N 3.09Å |
| 129 | E | 96.5 | Very high | 95.6 | Very high | 105 Ų | 105 | 106 Ų | 106 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 174.7 | -74.3 | 170.9 | 178 | 0 | 0 | 111.3 | K125 K126 Q131 G132 E133 | K125-E129 WeakPolarHBondContact CE-OE1 3.49Å; K125-E129 HydrophobicContact CG-CG 4.5Å; K125-E129 IonicContact NZ-OE1 2.62Å; K125-E129 WeakPolarHBondContact O-CG 3.37Å; K125-E129 PolarHBondContact O-N 3.25Å; K126-E129 PolarHBondContact O-N 2.83Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.03Å; E129-G132 PolarHBondContact O-N 2.67Å; E129-E133 WeakPolarHBondContact O-CB 3.26Å; E129-E133 PolarHBondContact O-N 2.69Å |
| 130 | A | 96.1 | Very high | 95.8 | Very high | 45 Ų | 45 | 103.5 Ų | 103.5 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K126 Q127 K134 | K126-A130 WeakPolarHBondContact O-CB 3.45Å; K126-A130 PolarHBondContact O-N 2.89Å; Q127-A130 PolarHBondContact O-N 3.29Å; A130-K134 WeakPolarHBondContact O-CG 3.45Å; A130-K134 PolarHBondContact O-N 2.98Å |
| 131 | Q | 93.7 | Very high | 96 | Very high | 110 Ų | 110 | 104.4 Ų | 104.4 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.5 | -40.8 | 174.3 | -66.7 | -67.5 | 0.3 | 0 | 0 | 111.8 | Q127 Q128 E129 E133 K134 A135 | Q127-Q131 VanDerWaalsContact O-CG 3.31Å; Q127-Q131 WeakPolarHBondContact O-CG 3.49Å; Q127-Q131 PolarHBondContact O-N 3.05Å; Q128-Q131 PolarHBondContact O-N 3.38Å; E129-Q131 VanDerWaalsContact C-N 3.32Å; E129-Q131 PolarHBondContact O-N 3.03Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.81Å; Q131-K134 PolarHBondContact O-N 2.86Å; Q131-A135 PolarHBondContact O-N 3.02Å |
| 132 | G | 96.6 | Very high | 96 | Very high | 34 Ų | 34 | 102.1 Ų | 102.1 | 35% | 0.351 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q128 E129 K134 A135 S136 | Q128-G132 PolarHBondContact O-N 3.09Å; E129-G132 PolarHBondContact O-N 2.67Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 2.84Å; G132-A135 PolarHBondContact O-N 3.2Å; G132-S136 WeakPolarHBondContact O-CB 3.35Å; G132-S136 PolarHBondContact O-N 3.47Å; G132-S136 PolarHBondContact O-OG 3.03Å; G132-S136 VanDerWaalsContact O-OG 3.09Å |
| 133 | E | 96.9 | Very high | 96 | Very high | 105 Ų | 105 | 100.9 Ų | 100.9 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 177.4 | -163.7 | -161.6 | 134.8 | 0 | 0 | 112.1 | E129 Q131 S136 R137 | E129-E133 WeakPolarHBondContact O-CB 3.26Å; E129-E133 PolarHBondContact O-N 2.69Å; Q131-E133 VanDerWaalsContact C-N 3.34Å; Q131-E133 PolarHBondContact O-N 2.81Å; E133-S136 PolarHBondContact O-N 2.8Å; E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 WeakPolarHBondContact O-CG 3.32Å; E133-R137 PolarHBondContact O-N 2.95Å; E133-R137 IonicContact OE1-CZ 3.19Å; E133-R137 IonicContact OE1-NE 3.33Å; E133-R137 PolarHBondContact OE1-NE 3.48Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 3.24Å |
| 134 | K | 96.4 | Very high | 96.1 | Very high | 124 Ų | 124 | 100.9 Ų | 100.9 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 173.1 | -73 | 175.2 | -178.3 | -175.1 | 0 | 111.6 | A130 Q131 G132 R137 Y138 | A130-K134 WeakPolarHBondContact O-CG 3.45Å; A130-K134 PolarHBondContact O-N 2.98Å; Q131-K134 PolarHBondContact O-N 2.86Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 2.84Å; K134-R137 PolarHBondContact O-N 3.11Å; K134-Y138 PolarHBondContact O-N 2.91Å |
| 135 | A | 96.5 | Very high | 96.2 | Very high | 52 Ų | 52 | 96.5 Ų | 96.5 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q131 G132 R137 Y138 I139 | Q131-A135 PolarHBondContact O-N 3.02Å; G132-A135 PolarHBondContact O-N 3.2Å; A135-R137 PolarHBondContact O-N 2.89Å; A135-Y138 PolarHBondContact O-N 3.47Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.41Å |
| 136 | S | 97.1 | Very high | 96.1 | Very high | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 176 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | G132 E133 Y138 I139 E140 | G132-S136 WeakPolarHBondContact O-CB 3.35Å; G132-S136 PolarHBondContact O-N 3.47Å; G132-S136 PolarHBondContact O-OG 3.03Å; G132-S136 VanDerWaalsContact O-OG 3.09Å; E133-S136 PolarHBondContact O-N 2.8Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.84Å; S136-I139 PolarHBondContact O-N 2.94Å; S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 2.95Å |
| 137 | R | 97.3 | Very high | 96.1 | Very high | 128 Ų | 128 | 95.3 Ų | 95.3 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -39.7 | 175 | -84.4 | -169.3 | -87.5 | -176.1 | -12.7 | 112.4 | E133 K134 A135 N141 | E133-R137 WeakPolarHBondContact O-CB 3.37Å; E133-R137 WeakPolarHBondContact O-CG 3.32Å; E133-R137 PolarHBondContact O-N 2.95Å; E133-R137 IonicContact OE1-CZ 3.19Å; E133-R137 IonicContact OE1-NE 3.33Å; E133-R137 PolarHBondContact OE1-NE 3.48Å; E133-R137 IonicContact OE1-NH2 2.7Å; E133-R137 PolarHBondContact OE1-NH2 3.24Å; K134-R137 PolarHBondContact O-N 3.11Å; A135-R137 PolarHBondContact O-N 2.89Å; R137-N141 VanDerWaalsContact O-CB 3.26Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 3.3Å |
| 138 | Y | 96.5 | Very high | 96.2 | Very high | 129 Ų | 129 | 95.1 Ų | 95.1 | 51% | 0.506 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 176.7 | -179.8 | -100.1 | 0 | 0 | 0 | 112.1 | K134 A135 S136 E140 V142 L143 | K134-Y138 PolarHBondContact O-N 2.91Å; A135-Y138 PolarHBondContact O-N 3.47Å; S136-Y138 VanDerWaalsContact C-N 3.3Å; S136-Y138 PolarHBondContact O-N 2.84Å; Y138-E140 VanDerWaalsContact C-N 3.3Å; Y138-E140 PolarHBondContact O-N 2.96Å; Y138-V142 HydrophobicContact CD2-CB 3.93Å; Y138-V142 HydrophobicContact CD2-CG1 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.69Å; Y138-V142 HydrophobicContact CE2-CB 3.78Å; Y138-V142 HydrophobicContact CE2-CG1 3.77Å; Y138-V142 HydrophobicContact CE2-CG2 3.81Å; Y138-V142 WeakPolarHBondContact O-CA 3.3Å; Y138-V142 VanDerWaalsContact O-CB 3.3Å; Y138-V142 WeakPolarHBondContact O-CB 3.48Å; Y138-V142 PolarHBondContact O-N 2.97Å; Y138-L143 HydrophobicContact CD1-CD1 4.12Å; Y138-L143 HydrophobicContact CD1-CG 4.06Å; Y138-L143 HydrophobicContact CE1-CD1 3.91Å; Y138-L143 HydrophobicContact CE1-CD2 3.76Å; Y138-L143 HydrophobicContact CE1-CG 3.7Å; Y138-L143 PolarHBondContact O-N 2.9Å |
| 139 | I | 96.6 | Very high | 96.1 | Very high | 85 Ų | 85 | 92.9 Ų | 92.9 | 44% | 0.436 | 47% | 0.472 | S | S | . | . | I | π-helix | trans | -58.9 | -45.5 | 176.6 | -67.4 | 163 | 0 | 0 | 0 | 110.4 | A135 S136 L143 K144 | A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.41Å; S136-I139 PolarHBondContact O-N 2.94Å; I139-L143 HydrophobicContact CG1-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.23Å; I139-L143 PolarHBondContact O-N 3.27Å; I139-K144 PolarHBondContact O-N 3.38Å |
| 140 | E | 96.2 | Very high | 96.1 | Very high | 112 Ų | 112 | 94.1 Ų | 94.1 | 52% | 0.523 | 48% | 0.476 | S | S | . | . | I | π-helix | trans | -75.8 | -41.2 | -175.8 | -173.2 | 157.2 | -134.6 | 0 | 0 | 113.9 | S136 Y138 K144 P145 | S136-E140 WeakPolarHBondContact O-CB 3.34Å; S136-E140 PolarHBondContact O-N 2.95Å; Y138-E140 VanDerWaalsContact C-N 3.3Å; Y138-E140 PolarHBondContact O-N 2.96Å; E140-K144 IonicContact OE1-NZ 3.92Å; E140-P145 VanDerWaalsContact O-CD 3.23Å; E140-P145 WeakPolarHBondContact O-CD 3.26Å |
| 141 | N | 96.3 | Very high | 96.2 | Very high | 113 Ų | 113 | 97.7 Ų | 97.7 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | I | π-helix | trans | -92.1 | -19.7 | -173.6 | -64.4 | -18 | 0 | 0 | 0 | 113.8 | R137 | R137-N141 VanDerWaalsContact O-CB 3.26Å; R137-N141 WeakPolarHBondContact O-CB 3.47Å; R137-N141 PolarHBondContact O-N 3.3Å |
| 142 | V | 95 | Very high | 96.2 | Very high | 69 Ų | 69 | 100.3 Ų | 100.3 | 42% | 0.418 | 49% | 0.493 | S | S | . | . | I | π-helix | trans | -117.4 | -53.7 | -175.8 | -174.2 | 0 | 0 | 0 | 0 | 111.1 | Y138 H146 | Y138-V142 HydrophobicContact CD2-CB 3.93Å; Y138-V142 HydrophobicContact CD2-CG1 4.43Å; Y138-V142 HydrophobicContact CD2-CG2 3.69Å; Y138-V142 HydrophobicContact CE2-CB 3.78Å; Y138-V142 HydrophobicContact CE2-CG1 3.77Å; Y138-V142 HydrophobicContact CE2-CG2 3.81Å; Y138-V142 WeakPolarHBondContact O-CA 3.3Å; Y138-V142 VanDerWaalsContact O-CB 3.3Å; Y138-V142 WeakPolarHBondContact O-CB 3.48Å; Y138-V142 PolarHBondContact O-N 2.97Å; V142-H146 VanDerWaalsContact O-CB 3.27Å; V142-H146 WeakPolarHBondContact O-CB 3.25Å; V142-H146 PolarHBondContact O-N 3.33Å |
| 143 | L | 95.4 | Very high | 96.1 | Very high | 71 Ų | 71 | 104.2 Ų | 104.2 | 37% | 0.372 | 50% | 0.5 | S | S | . | . | I | π-helix | trans | -73.6 | -49.1 | -172.8 | -60.4 | -177.6 | 0 | 0 | 0 | 112.5 | Y138 I139 H146 Q147 | Y138-L143 HydrophobicContact CD1-CD1 4.12Å; Y138-L143 HydrophobicContact CD1-CG 4.06Å; Y138-L143 HydrophobicContact CE1-CD1 3.91Å; Y138-L143 HydrophobicContact CE1-CD2 3.76Å; Y138-L143 HydrophobicContact CE1-CG 3.7Å; Y138-L143 PolarHBondContact O-N 2.9Å; I139-L143 HydrophobicContact CG1-CD1 4.07Å; I139-L143 WeakPolarHBondContact O-CB 3.23Å; I139-L143 PolarHBondContact O-N 3.27Å; L143-H146 PolarHBondContact O-N 3.03Å; L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 2.93Å |
| 144 | K | 96.4 | Very high | 96.1 | Very high | 93 Ų | 93 | 104.7 Ų | 104.7 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.2 | -51.4 | 179.5 | -75.7 | -175.5 | -174.6 | 175.7 | 0 | 112.6 | I139 E140 H146 Q147 E148 | I139-K144 PolarHBondContact O-N 3.38Å; E140-K144 IonicContact OE1-NZ 3.92Å; K144-H146 PolarHBondContact O-N 2.78Å; K144-Q147 PolarHBondContact O-N 3.31Å; K144-Q147 VanDerWaalsContact O-N 3.09Å; K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 2.99Å |
| 145 | P | 98 | Very high | 95.9 | Very high | 56 Ų | 56 | 103.2 Ų | 103.2 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -34.4 | -179 | -25.3 | 37.3 | 0 | 0 | 0 | 112.2 | E140 M149 | E140-P145 VanDerWaalsContact O-CD 3.23Å; E140-P145 WeakPolarHBondContact O-CD 3.26Å; P145-M149 WeakPolarHBondContact O-CB 3.43Å; P145-M149 PolarHBondContact O-N 2.73Å |
| 146 | H | 95.1 | Very high | 95.7 | Very high | 104 Ų | 104 | 104.6 Ų | 104.6 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.4 | -39.2 | 176.4 | -173.7 | -111.6 | 0 | 0 | 0 | 112.1 | V142 L143 K144 K150 | V142-H146 VanDerWaalsContact O-CB 3.27Å; V142-H146 WeakPolarHBondContact O-CB 3.25Å; V142-H146 PolarHBondContact O-N 3.33Å; L143-H146 PolarHBondContact O-N 3.03Å; K144-H146 PolarHBondContact O-N 2.78Å; H146-K150 WeakPolarHBondContact CE1-CE 3.47Å; H146-K150 WeakPolarHBondContact O-CG 3.31Å; H146-K150 PolarHBondContact O-N 2.85Å; H146-K150 VanDerWaalsContact O-N 3.12Å |
| 147 | Q | 95.3 | Very high | 95.5 | Very high | 122 Ų | 122 | 109.9 Ų | 109.9 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 173.5 | -73 | 178.7 | -37.8 | 0 | 0 | 111.8 | L143 K144 M149 K150 L151 | L143-Q147 WeakPolarHBondContact O-CG 3.47Å; L143-Q147 PolarHBondContact O-N 2.93Å; K144-Q147 PolarHBondContact O-N 3.31Å; K144-Q147 VanDerWaalsContact O-N 3.09Å; Q147-M149 PolarHBondContact O-N 2.92Å; Q147-K150 WeakPolarHBondContact O-CB 3.26Å; Q147-K150 PolarHBondContact O-N 3.5Å; Q147-L151 PolarHBondContact O-N 3.08Å |
| 148 | E | 95.9 | Very high | 95.4 | Very high | 119 Ų | 119 | 109.7 Ų | 109.7 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 176.8 | -72.7 | 176.5 | -169 | 0 | 0 | 111.7 | K144 K150 L151 R152 | K144-E148 WeakPolarHBondContact O-CG 3.46Å; K144-E148 PolarHBondContact O-N 2.99Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.92Å; E148-L151 PolarHBondContact O-N 3.16Å; E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 WeakPolarHBondContact O-CG 3.3Å; E148-R152 PolarHBondContact O-N 3.23Å |
| 149 | M | 95.2 | Very high | 95.1 | Very high | 103 Ų | 103 | 106.1 Ų | 106.1 | 51% | 0.507 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.5 | -176.1 | -174.8 | -65.6 | 0 | 0 | 111.8 | P145 Q147 K153 | P145-M149 WeakPolarHBondContact O-CB 3.43Å; P145-M149 PolarHBondContact O-N 2.73Å; Q147-M149 PolarHBondContact O-N 2.92Å; M149-K153 HydrophobicContact CG-CD 4.41Å; M149-K153 WeakPolarHBondContact O-CB 3.43Å; M149-K153 WeakPolarHBondContact O-CG 3.41Å; M149-K153 PolarHBondContact O-N 2.98Å |
| 150 | K | 96.2 | Very high | 94.8 | Very high | 132 Ų | 132 | 107.9 Ų | 107.9 | 57% | 0.574 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.7 | -43.8 | 175.2 | -77.8 | -179.7 | 175.6 | -175.7 | 0 | 111.7 | H146 Q147 E148 K153 L154 | H146-K150 WeakPolarHBondContact CE1-CE 3.47Å; H146-K150 WeakPolarHBondContact O-CG 3.31Å; H146-K150 PolarHBondContact O-N 2.85Å; H146-K150 VanDerWaalsContact O-N 3.12Å; Q147-K150 WeakPolarHBondContact O-CB 3.26Å; Q147-K150 PolarHBondContact O-N 3.5Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.92Å; K150-K153 PolarHBondContact O-N 3.01Å; K150-L154 PolarHBondContact O-N 3.16Å; K150-L154 VanDerWaalsContact O-N 3.09Å |
| 151 | L | 96.7 | Very high | 94.4 | Very high | 120 Ų | 120 | 110.7 Ų | 110.7 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.1 | -46.4 | 176.4 | -72.7 | 170.9 | 0 | 0 | 0 | 111.4 | Q147 E148 K153 L154 E155 | Q147-L151 PolarHBondContact O-N 3.08Å; E148-L151 PolarHBondContact O-N 3.16Å; L151-K153 PolarHBondContact O-N 3.43Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.11Å; L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.2Å |
| 152 | R | 93.9 | Very high | 94.2 | Very high | 164 Ų | 164 | 108.9 Ų | 108.9 | 62% | 0.619 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.3 | -47.6 | 174 | -79.8 | -96.5 | -172.5 | 163.2 | -2 | 112.4 | E148 L154 E155 E156 | E148-R152 WeakPolarHBondContact O-CB 3.44Å; E148-R152 WeakPolarHBondContact O-CG 3.3Å; E148-R152 PolarHBondContact O-N 3.23Å; R152-L154 VanDerWaalsContact C-N 3.28Å; R152-L154 PolarHBondContact O-N 3.29Å; R152-E155 WeakPolarHBondContact O-CB 3.48Å; R152-E155 PolarHBondContact O-N 3.09Å; R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 2.84Å |
| 153 | K | 96 | Very high | 93.6 | Very high | 116 Ų | 116 | 108.4 Ų | 108.4 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -36.1 | 177 | -78.3 | 178.9 | 179.9 | 178.3 | 0 | 112.5 | M149 K150 L151 R157 | M149-K153 HydrophobicContact CG-CD 4.41Å; M149-K153 WeakPolarHBondContact O-CB 3.43Å; M149-K153 WeakPolarHBondContact O-CG 3.41Å; M149-K153 PolarHBondContact O-N 2.98Å; K150-K153 PolarHBondContact O-N 3.01Å; L151-K153 PolarHBondContact O-N 3.43Å; K153-R157 WeakPolarHBondContact O-CG 3.41Å; K153-R157 PolarHBondContact O-N 3.48Å |
| 154 | L | 95.5 | Very high | 93.1 | Very high | 116 Ų | 116 | 107.7 Ų | 107.7 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.6 | -43.1 | 177.2 | -173 | 64.8 | 0 | 0 | 0 | 111.1 | K150 L151 R152 R157 F158 | K150-L154 PolarHBondContact O-N 3.16Å; K150-L154 VanDerWaalsContact O-N 3.09Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 3.46Å; L151-L154 VanDerWaalsContact O-N 3.11Å; R152-L154 VanDerWaalsContact C-N 3.28Å; R152-L154 PolarHBondContact O-N 3.29Å; L154-R157 PolarHBondContact O-N 3.49Å; L154-F158 WeakPolarHBondContact O-CB 3.4Å; L154-F158 PolarHBondContact O-N 3.38Å |
| 155 | E | 92 | Very high | 92.3 | Very high | 93 Ų | 93 | 105.7 Ų | 105.7 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 173.7 | -179.6 | 178.5 | -155.5 | 0 | 0 | 111.6 | L151 R152 R157 F158 Y159 | L151-E155 WeakPolarHBondContact O-CB 3.49Å; L151-E155 PolarHBondContact O-N 3.2Å; R152-E155 WeakPolarHBondContact O-CB 3.48Å; R152-E155 PolarHBondContact O-N 3.09Å; E155-R157 PolarHBondContact O-N 2.89Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 3.49Å; E155-F158 VanDerWaalsContact O-N 3.16Å; E155-Y159 HydrophobicContact CG-CD2 3.71Å; E155-Y159 HydrophobicContact CG-CE2 3.38Å; E155-Y159 VanDerWaalsContact O-CD2 3.23Å; E155-Y159 WeakPolarHBondContact O-CD2 3.43Å; E155-Y159 PolarHBondContact O-N 3.33Å |
| 156 | E | 92.4 | Very high | 91.1 | Very high | 81 Ų | 81 | 111.3 Ų | 111.3 | 38% | 0.379 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 174 | -77.3 | 170.1 | -166.9 | 0 | 0 | 112 | R152 F158 Y159 Q160 L168 | R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 WeakPolarHBondContact O-CG 3.33Å; R152-E156 PolarHBondContact O-N 2.84Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.21Å; E156-Y159 PolarHBondContact O-N 3.16Å; E156-Q160 WeakPolarHBondContact O-CB 3.41Å; E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 3.35Å; E156-L168 HydrophobicContact CB-CD1 4.34Å; E156-L168 HydrophobicContact CB-CD2 4.39Å; E156-L168 HydrophobicContact CG-CD1 4.36Å; E156-L168 HydrophobicContact CG-CD2 3.93Å |
| 157 | R | 93.3 | Very high | 90.3 | Very high | 181 Ų | 181 | 110.8 Ų | 110.8 | 68% | 0.683 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -39.5 | 175.6 | -76.1 | -177.3 | -173.8 | -166.4 | 1.9 | 112.2 | K153 L154 E155 Q160 M161 | K153-R157 WeakPolarHBondContact O-CG 3.41Å; K153-R157 PolarHBondContact O-N 3.48Å; L154-R157 PolarHBondContact O-N 3.49Å; E155-R157 PolarHBondContact O-N 2.89Å; R157-Q160 PolarHBondContact O-N 3.04Å; R157-M161 WeakPolarHBondContact O-CB 3.39Å; R157-M161 PolarHBondContact O-N 3.41Å |
| 158 | F | 94.6 | Very high | 89.3 | Confident | 124 Ų | 124 | 108 Ų | 108 | 54% | 0.544 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 177.6 | 176 | -94.4 | 0 | 0 | 0 | 111.4 | L154 E155 E156 M161 T162 | L154-F158 WeakPolarHBondContact O-CB 3.4Å; L154-F158 PolarHBondContact O-N 3.38Å; E155-F158 WeakPolarHBondContact O-CB 3.37Å; E155-F158 PolarHBondContact O-N 3.49Å; E155-F158 VanDerWaalsContact O-N 3.16Å; E156-F158 VanDerWaalsContact C-N 3.32Å; E156-F158 PolarHBondContact O-N 3.21Å; F158-M161 PolarHBondContact O-N 2.95Å; F158-T162 WeakPolarHBondContact O-CB 3.15Å; F158-T162 PolarHBondContact O-N 2.7Å; F158-T162 PolarHBondContact O-OG1 2.86Å |
| 159 | Y | 90.8 | Very high | 88.3 | Confident | 55 Ų | 55 | 106.1 Ų | 106.1 | 22% | 0.216 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -71.9 | -33.1 | 179 | -70.6 | -56.8 | 0 | 0 | 0 | 113.2 | E155 E156 G163 E164 K167 L168 | E155-Y159 HydrophobicContact CG-CD2 3.71Å; E155-Y159 HydrophobicContact CG-CE2 3.38Å; E155-Y159 VanDerWaalsContact O-CD2 3.23Å; E155-Y159 WeakPolarHBondContact O-CD2 3.43Å; E155-Y159 PolarHBondContact O-N 3.33Å; E156-Y159 PolarHBondContact O-N 3.16Å; Y159-G163 PolarHBondContact O-N 2.84Å; Y159-E164 HydrophobicContact CD1-CB 4.13Å; Y159-E164 PolarHBondContact O-N 3.17Å; Y159-E164 VanDerWaalsContact O-N 3.09Å; Y159-K167 HydrophobicContact CD1-CD 4.2Å; Y159-K167 HydrophobicContact CE1-CD 3.9Å; Y159-L168 HydrophobicContact CD2-CD2 3.65Å; Y159-L168 HydrophobicContact CG-CD2 4.18Å |
| 160 | Q | 89.9 | Confident | 87 | Confident | 122 Ų | 122 | 106.9 Ų | 106.9 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 170.6 | -76.2 | 172.4 | 20.7 | 0 | 0 | 111.6 | E156 R157 G163 L168 | E156-Q160 WeakPolarHBondContact O-CB 3.41Å; E156-Q160 VanDerWaalsContact O-CG 3.23Å; E156-Q160 WeakPolarHBondContact O-CG 3.44Å; E156-Q160 PolarHBondContact O-N 3.35Å; R157-Q160 PolarHBondContact O-N 3.04Å; Q160-G163 PolarHBondContact O-N 3.38Å; Q160-L168 HydrophobicContact CG-CD1 4.02Å |
| 161 | M | 88.6 | Confident | 85.9 | Confident | 171 Ų | 171 | 103.7 Ų | 103.7 | 84% | 0.842 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.3 | -37.9 | 179.5 | -173.7 | 177.7 | -71.3 | 0 | 0 | 112.5 | R157 F158 G163 | R157-M161 WeakPolarHBondContact O-CB 3.39Å; R157-M161 PolarHBondContact O-N 3.41Å; F158-M161 PolarHBondContact O-N 2.95Å; M161-G163 PolarHBondContact O-N 3.47Å |
| 162 | T | 91.2 | Very high | 84 | Confident | 74 Ų | 74 | 105.4 Ų | 105.4 | 45% | 0.454 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -77.1 | -7.1 | -179.8 | -46.5 | 0 | 0 | 0 | 0 | 112.7 | F158 E164 | F158-T162 WeakPolarHBondContact O-CB 3.15Å; F158-T162 PolarHBondContact O-N 2.7Å; F158-T162 PolarHBondContact O-OG1 2.86Å; T162-E164 HydrophobicContact CG2-CG 4.08Å; T162-E164 PolarHBondContact O-N 2.82Å |
| 163 | G | 82.9 | Confident | 82.8 | Confident | 59 Ų | 59 | 107.4 Ų | 107.4 | 61% | 0.608 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.4 | 4.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y159 Q160 M161 A165 | Y159-G163 PolarHBondContact O-N 2.84Å; Q160-G163 PolarHBondContact O-N 3.38Å; M161-G163 PolarHBondContact O-N 3.47Å; G163-A165 PolarHBondContact O-N 3.2Å |
| 164 | E | 86 | Confident | 81.1 | Confident | 56 Ų | 56 | 108.6 Ų | 108.6 | 26% | 0.262 | 56% | 0.564 | S | S | . | * | trans | -89 | 35.4 | 177.9 | -58.1 | -173.1 | 137.2 | 0 | 0 | 112.1 | Y159 T162 W166 K167 | Y159-E164 HydrophobicContact CD1-CB 4.13Å; Y159-E164 PolarHBondContact O-N 3.17Å; Y159-E164 VanDerWaalsContact O-N 3.09Å; T162-E164 HydrophobicContact CG2-CG 4.08Å; T162-E164 PolarHBondContact O-N 2.82Å; E164-W166 PolarHBondContact O-N 3.23Å; E164-K167 HydrophobicContact CB-CD 4.09Å; E164-K167 HydrophobicContact CB-CG 4.35Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 3.29Å; E164-K167 IonicContact OE1-NZ 2.81Å; E164-K167 PolarHBondContact OE1-NZ 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.35Å; E164-K167 IonicContact OE2-NZ 2.69Å; E164-K167 PolarHBondContact OE2-NZ 3.37Å | ||
| 165 | A | 78.3 | Confident | 78.9 | Confident | 51 Ų | 51 | 107.2 Ų | 107.2 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -59.7 | -20.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G163 K167 L168 | G163-A165 PolarHBondContact O-N 3.2Å; A165-K167 PolarHBondContact O-N 2.95Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.33Å; A165-L168 VanDerWaalsContact O-N 3.1Å |
| 166 | W | 72.3 | Confident | 76.6 | Confident | 174 Ų | 174 | 106.5 Ų | 106.5 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -62.7 | -25.5 | 172.9 | 57.2 | -93.1 | 0 | 0 | 0 | 113.2 | E164 L168 S169 | E164-W166 PolarHBondContact O-N 3.23Å; W166-L168 PolarHBondContact O-N 2.94Å; W166-S169 PolarHBondContact O-N 3.02Å; W166-S169 PolarHBondContact O-OG 3.32Å |
| 167 | K | 79.9 | Confident | 74.4 | Confident | 93 Ų | 93 | 109.8 Ų | 109.8 | 40% | 0.404 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -70.9 | -17.5 | 173.8 | -65.3 | -176.6 | -176.4 | 170.3 | 0 | 113.5 | Y159 E164 A165 | Y159-K167 HydrophobicContact CD1-CD 4.2Å; Y159-K167 HydrophobicContact CE1-CD 3.9Å; E164-K167 HydrophobicContact CB-CD 4.09Å; E164-K167 HydrophobicContact CB-CG 4.35Å; E164-K167 WeakPolarHBondContact O-CB 3.41Å; E164-K167 PolarHBondContact O-N 3.29Å; E164-K167 IonicContact OE1-NZ 2.81Å; E164-K167 PolarHBondContact OE1-NZ 3.42Å; E164-K167 WeakPolarHBondContact OE2-CE 3.35Å; E164-K167 IonicContact OE2-NZ 2.69Å; E164-K167 PolarHBondContact OE2-NZ 3.37Å; A165-K167 PolarHBondContact O-N 2.95Å |
| 168 | L | 74.6 | Confident | 72.2 | Confident | 64 Ų | 64 | 110 Ų | 110 | 34% | 0.335 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -81.4 | -21 | 175.1 | -59 | 178.5 | 0 | 0 | 0 | 112.6 | E156 Y159 Q160 A165 W166 S170 | E156-L168 HydrophobicContact CB-CD1 4.34Å; E156-L168 HydrophobicContact CB-CD2 4.39Å; E156-L168 HydrophobicContact CG-CD1 4.36Å; E156-L168 HydrophobicContact CG-CD2 3.93Å; Y159-L168 HydrophobicContact CD2-CD2 3.65Å; Y159-L168 HydrophobicContact CG-CD2 4.18Å; Q160-L168 HydrophobicContact CG-CD1 4.02Å; A165-L168 WeakPolarHBondContact O-CB 3.39Å; A165-L168 PolarHBondContact O-N 3.33Å; A165-L168 VanDerWaalsContact O-N 3.1Å; W166-L168 PolarHBondContact O-N 2.94Å; L168-S170 PolarHBondContact O-N 3.46Å |
| 169 | S | 74.6 | Confident | 69.5 | Low | 79 Ų | 79 | 107.5 Ų | 107.5 | 55% | 0.552 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -72.5 | 124.8 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 109.2 | W166 G171 | W166-S169 PolarHBondContact O-N 3.02Å; W166-S169 PolarHBondContact O-OG 3.32Å; S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.33Å |
| 170 | S | 68.1 | Low | 67.2 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 84% | 0.839 | 67% | 0.665 | S | S | * | * | trans | -64.8 | 99.4 | 168.7 | 60.1 | 0 | 0 | 0 | 0 | 107.4 | L168 H172 | L168-S170 PolarHBondContact O-N 3.46Å; S170-H172 PolarHBondContact O-N 2.98Å | ||
| 171 | G | 72.8 | Confident | 64.8 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | trans | -54.6 | 129.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S169 K173 | S169-G171 VanDerWaalsContact C-N 3.34Å; S169-G171 PolarHBondContact O-N 3.33Å; G171-K173 PolarHBondContact O-N 3.01Å | ||
| 172 | H | 56.3 | Low | 62.8 | Low | 155 Ų | 155 | 111.9 Ų | 111.9 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -75.8 | 113.6 | 171.4 | -169.7 | 61.6 | 0 | 0 | 0 | 108.1 | S170 L174 | S170-H172 PolarHBondContact O-N 2.98Å; H172-L174 WeakPolarHBondContact CD2-CD2 3.45Å; H172-L174 PolarHBondContact O-N 2.95Å | ||
| 173 | K | 68.3 | Low | 60 | Low | 207 Ų | 207 | 113 Ų | 113 | 90% | 0.9 | 68% | 0.682 | S | S | * | * | trans | -67.4 | 104.6 | 175.1 | -80.6 | -139.1 | 177 | -153.6 | 0 | 109.2 | G171 | G171-K173 PolarHBondContact O-N 3.01Š| ||
| 174 | L | 60.7 | Low | 58.1 | Low | 141 Ų | 141 | 115.4 Ų | 115.4 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | -104.9 | 118.9 | 172.4 | -71.4 | 174.1 | 0 | 0 | 0 | 110 | H172 | H172-L174 WeakPolarHBondContact CD2-CD2 3.45Å; H172-L174 PolarHBondContact O-N 2.95Å | ||
| 175 | G | 48.7 | Very low | 55.8 | Low | 86 Ų | 86 | 122 Ų | 122 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | trans | 74 | 147.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 176 | G | 44.8 | Very low | 54.1 | Low | 78 Ų | 78 | 128.1 Ų | 128.1 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | cis | 146.5 | 143.6 | 22.3 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 177 | D | 45.2 | Very low | 52.5 | Low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | -58.4 | 155.8 | -167.3 | -159.5 | 12.8 | 0 | 0 | 0 | 116.6 | ||||
| 178 | E | 46.8 | Very low | 50.6 | Low | 184 Ų | 184 | 126.1 Ų | 126.1 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 49.2 | 133.1 | 167.2 | -74.6 | -171 | 165.7 | 0 | 0 | 122.5 | ||||
| 179 | G | 38.7 | Very low | 49.3 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 152.2 | 90.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S181 | G179-S181 PolarHBondContact O-N 3.37Š| ||
| 180 | T | 43.3 | Very low | 48 | Very low | 143 Ų | 143 | 138 Ų | 138 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -45 | 120.2 | 163.1 | -64 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 181 | S | 40 | Very low | 46.9 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -158.8 | 102.4 | 152.2 | -79 | 0 | 0 | 0 | 0 | 109.4 | G179 T183 | G179-S181 PolarHBondContact O-N 3.37Å; S181-T183 PolarHBondContact O-N 3.49Å; S181-T183 VanDerWaalsContact O-N 3.16Å | ||
| 182 | Q | 44.9 | Very low | 45.4 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -50.3 | 116.3 | 155.3 | -79.1 | 170.4 | -43.2 | 0 | 0 | 108.2 | ||||
| 183 | T | 32.6 | Very low | 45 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 61% | 0.607 | 80% | 0.801 | S | S | * | * | trans | -126.6 | 107.5 | 156.9 | 46.3 | 0 | 0 | 0 | 0 | 107.6 | S181 F185 | S181-T183 PolarHBondContact O-N 3.49Å; S181-T183 VanDerWaalsContact O-N 3.16Å; T183-F185 PolarHBondContact O-N 3.21Å | ||
| 184 | S | 42.9 | Very low | 44.3 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -49.1 | 114.8 | 164.7 | 46.8 | 0 | 0 | 0 | 0 | 110.9 | E186 | S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 3.28Å | ||
| 185 | F | 37.4 | Very low | 43.7 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | trans | -95 | 75 | 156.9 | -69.3 | -77.3 | 0 | 0 | 0 | 108.3 | T183 | T183-F185 PolarHBondContact O-N 3.21Š| ||
| 186 | E | 42.9 | Very low | 43.8 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -92.7 | 95.4 | 159.7 | -177.2 | 162.1 | -172.4 | 0 | 0 | 106.9 | S184 | S184-E186 VanDerWaalsContact C-N 3.35Å; S184-E186 PolarHBondContact O-N 3.28Å | ||
| 187 | T | 39.1 | Very low | 43.9 | Very low | 125 Ų | 125 | 143.8 Ų | 143.8 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | -156.9 | 131.4 | 161.1 | -21.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 188 | S | 40.6 | Very low | 43.9 | Very low | 100 Ų | 100 | 143.3 Ų | 143.3 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 75.5 | 55.7 | 142.3 | -147.1 | 0 | 0 | 0 | 0 | 119.8 | ||
| 189 | N | 45.9 | Very low | 43.9 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -132.5 | 11.7 | 159.8 | -91.6 | -47.7 | 0 | 0 | 0 | 114.1 | ||
| 190 | R | 48.7 | Very low | 44.2 | Very low | 235 Ų | 235 | 146 Ų | 146 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -101.5 | -6.6 | -174.7 | -169.3 | 166.7 | 157.2 | -164.5 | -7.4 | 114.7 | ||
| 191 | E | 43.6 | Very low | 44 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -109.2 | -3.7 | -177.9 | -84.7 | 168.7 | 141.4 | 0 | 0 | 115.3 | A193 | E191-A193 VanDerWaalsContact C-N 3.32Š|
| 192 | A | 42.6 | Very low | 43.7 | Very low | 86 Ų | 86 | 147.6 Ų | 147.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -6.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 193 | A | 48.5 | Very low | 43.7 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E191 | E191-A193 VanDerWaalsContact C-N 3.32Š|
| 194 | K | 52 | Low | 44.1 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 85% | 0.852 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -116.5 | 4.8 | -173.3 | -152.5 | 177.1 | 177.4 | -175.8 | 0 | 115.3 | ||
| 195 | S | 49 | Very low | 43.6 | Very low | 89 Ų | 89 | 152 Ų | 152 | 62% | 0.622 | 80% | 0.797 | S | S | * | * | trans | -135.2 | 60.4 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 196 | Q | 50.6 | Low | 43.8 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -130.4 | 90.1 | 151.3 | -68.1 | -169.2 | 16.4 | 0 | 0 | 108.4 | L198 | Q196-L198 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact O-N 3.15Å | ||
| 197 | N | 45.8 | Very low | 44.1 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -64.8 | 106.7 | 158.8 | -73.9 | -66.9 | 0 | 0 | 0 | 106.7 | P199 | N197-P199 VanDerWaalsContact O-CD 3.25Å; N197-P199 WeakPolarHBondContact O-CD 2.9Å | ||
| 198 | L | 46.5 | Very low | 44.2 | Very low | 141 Ų | 141 | 144.6 Ų | 144.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69 | 118.2 | 173.8 | -129 | 93.4 | 0 | 0 | 0 | 109.3 | Q196 | Q196-L198 PolarHBondContact O-N 3.45Å; Q196-L198 VanDerWaalsContact O-N 3.15Å |
| 199 | P | 45.5 | Very low | 44.4 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 128.1 | 153.3 | -3.5 | 23 | 0 | 0 | 0 | 107.1 | N197 P201 | N197-P199 VanDerWaalsContact O-CD 3.25Å; N197-P199 WeakPolarHBondContact O-CD 2.9Å; P199-P201 WeakPolarHBondContact O-CD 3.37Å |
| 200 | K | 45.9 | Very low | 44.2 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 89% | 0.891 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 121.8 | 173.3 | -69.9 | 167.6 | 178.3 | 172.6 | 0 | 110.2 | ||
| 201 | P | 38.1 | Very low | 43.6 | Very low | 112 Ų | 112 | 143 Ų | 143 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 132.9 | 158.5 | -0.6 | 23.4 | 0 | 0 | 0 | 108.6 | P199 | P199-P201 WeakPolarHBondContact O-CD 3.37Š|
| 202 | L | 34.4 | Very low | 43.4 | Very low | 166 Ų | 166 | 140.9 Ų | 140.9 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 139.1 | -179.2 | -76.4 | 132.4 | 0 | 0 | 0 | 113.1 | E204 | L202-E204 PolarHBondContact O-N 3.38Š|
| 203 | T | 45.8 | Very low | 43 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -55.6 | 96.9 | 158.2 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 204 | E | 40.3 | Very low | 42.1 | Very low | 174 Ų | 174 | 144 Ų | 144 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -152.3 | 92.6 | 156.9 | -142.4 | 168 | -161.1 | 0 | 0 | 108.1 | L202 P206 | L202-E204 PolarHBondContact O-N 3.38Å; E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å | ||
| 205 | F | 32.8 | Very low | 41.8 | Very low | 189 Ų | 189 | 143.6 Ų | 143.6 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 119.6 | 168.4 | -69.4 | -90.2 | 0 | 0 | 0 | 107.4 | S207 | F205-S207 PolarHBondContact O-N 3.14Å; F205-S207 VanDerWaalsContact O-N 3.14Å | ||
| 206 | P | 40.4 | Very low | 41.6 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | trans | -64.3 | 117.4 | 158.6 | 24.8 | -27.6 | 0 | 0 | 0 | 107.4 | E204 | E204-P206 VanDerWaalsContact O-CD 3.31Å; E204-P206 WeakPolarHBondContact O-CD 3.48Å | ||
| 207 | S | 50.5 | Low | 41.2 | Very low | 103 Ų | 103 | 145.5 Ų | 145.5 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -30.5 | 124.8 | 167.7 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | F205 A209 | F205-S207 PolarHBondContact O-N 3.14Å; F205-S207 VanDerWaalsContact O-N 3.14Å; S207-A209 PolarHBondContact O-N 3.39Å | ||
| 208 | P | 40.9 | Very low | 41.5 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | -64.1 | 111.9 | 167.5 | 24.5 | -28.3 | 0 | 0 | 0 | 108.3 | E210 | P208-E210 PolarHBondContact O-N 3.43Š| ||
| 209 | A | 44.8 | Very low | 41.9 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -45.3 | 128 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | S207 Q211 | S207-A209 PolarHBondContact O-N 3.39Å; A209-Q211 PolarHBondContact O-N 3.46Å | ||
| 210 | E | 41.6 | Very low | 43 | Very low | 188 Ų | 188 | 135.4 Ų | 135.4 | 88% | 0.879 | 74% | 0.737 | S | S | * | * | trans | 18.7 | 96.2 | 159.6 | -66.1 | 177.6 | 164 | 0 | 0 | 115.7 | P208 | P208-E210 PolarHBondContact O-N 3.43Š| ||
| 211 | Q | 35.2 | Very low | 44.1 | Very low | 181 Ų | 181 | 127.8 Ų | 127.8 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -51.2 | 132.9 | 154.2 | -69.1 | 178.1 | -15.1 | 0 | 0 | 108.2 | A209 T213 | A209-Q211 PolarHBondContact O-N 3.46Å; Q211-T213 PolarHBondContact O-N 3.47Å | ||
| 212 | P | 40.2 | Very low | 45.1 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 81% | 0.805 | 71% | 0.712 | S | S | * | * | trans | -53.1 | 119.4 | 173.1 | 21.1 | -30.7 | 0 | 0 | 0 | 107.3 | C214 | P212-C214 PolarHBondContact O-N 2.62Š| ||
| 213 | T | 34.7 | Very low | 46.8 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 69% | 0.687 | S | S | * | * | trans | -34.9 | 121.9 | -176.9 | 40.9 | 0 | 0 | 0 | 0 | 110.4 | Q211 K215 | Q211-T213 PolarHBondContact O-N 3.47Å; T213-K215 PolarHBondContact O-N 3.14Å | ||
| 214 | C | 29.8 | Very low | 47.9 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 80% | 0.797 | 66% | 0.655 | S | S | * | * | trans | -26 | 123.8 | 162.2 | -159.4 | 0 | 0 | 0 | 0 | 109.6 | P212 E216 | P212-C214 PolarHBondContact O-N 2.62Å; C214-E216 VanDerWaalsContact C-N 3.29Å; C214-E216 PolarHBondContact O-N 3.31Å | ||
| 215 | K | 44.8 | Very low | 48.8 | Very low | 189 Ų | 189 | 116.5 Ų | 116.5 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | trans | -54.6 | 99.8 | 173.2 | -63.2 | 175.6 | -178.2 | 178.7 | 0 | 106.5 | T213 I217 | T213-K215 PolarHBondContact O-N 3.14Å; K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.46Å | ||
| 216 | E | 44.2 | Very low | 49.9 | Very low | 184 Ų | 184 | 115.6 Ų | 115.6 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | trans | -59 | 102.8 | 170.5 | -120 | 179.5 | 172.3 | 0 | 0 | 104.8 | C214 P218 | C214-E216 VanDerWaalsContact C-N 3.29Å; C214-E216 PolarHBondContact O-N 3.31Å; E216-P218 WeakPolarHBondContact O-CD 3.46Å | ||
| 217 | I | 42.4 | Very low | 50.6 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | trans | -76.7 | 112.6 | 168.1 | -62.4 | 169.7 | 0 | 0 | 0 | 102.9 | K215 D219 | K215-I217 VanDerWaalsContact C-N 3.32Å; K215-I217 PolarHBondContact O-N 3.46Å; I217-D219 PolarHBondContact O-N 2.87Å | ||
| 218 | P | 52.8 | Low | 51 | Low | 33 Ų | 33 | 113.5 Ų | 113.5 | 21% | 0.214 | 63% | 0.628 | C | S | . | * | trans | -59.7 | 119.3 | 176.2 | -21.4 | 34.7 | 0 | 0 | 0 | 108 | E216 L220 D259 | E216-P218 WeakPolarHBondContact O-CD 3.46Å; P218-L220 PolarHBondContact O-N 3.48Å; P218-D259 HydrophobicContact CB-CB 3.75Å; P218-D259 HydrophobicContact CG-CB 4.25Å | ||
| 219 | D | 55.4 | Low | 51.9 | Low | 148 Ų | 148 | 116.9 Ų | 116.9 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -70.4 | 103.1 | 174.2 | -89.7 | -29.8 | 0 | 0 | 0 | 108.1 | I217 | I217-D219 PolarHBondContact O-N 2.87Š| ||
| 220 | L | 68.3 | Low | 53.6 | Low | 17 Ų | 17 | 118 Ų | 118 | 9% | 0.089 | 62% | 0.623 | C | S | . | * | P | Polyproline II helix | trans | -73.9 | 131.2 | -175.1 | -151.3 | 68.1 | 0 | 0 | 0 | 109.3 | P218 E222 V256 D259 W260 | P218-L220 PolarHBondContact O-N 3.48Å; L220-E222 PolarHBondContact O-N 2.9Å; L220-V256 HydrophobicContact CD1-CG1 4.13Å; L220-D259 HydrophobicContact CD1-CB 3.7Å; L220-W260 HydrophobicContact CD1-CB 3.84Å; L220-W260 VanDerWaalsContact CD1-N 3.32Å; L220-W260 HydrophobicContact CD2-CB 3.54Å; L220-W260 HydrophobicContact CD2-CG 3.65Å; L220-W260 HydrophobicContact CG-CB 4.31Å |
| 221 | P | 69.1 | Low | 55.6 | Low | 45 Ų | 45 | 110.4 Ų | 110.4 | 29% | 0.292 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 139.2 | -176.6 | 22.4 | -33.4 | 0 | 0 | 0 | 111.3 | R246 Y252 V256 | P221-R246 PolarHBondContact O-NH2 3.33Å; P221-Y252 HydrophobicContact CB-CE2 4.09Å; P221-Y252 HydrophobicContact CG-CD2 4.3Å; P221-Y252 HydrophobicContact CG-CE2 3.74Å; P221-V256 HydrophobicContact CG-CG1 3.82Å; P221-V256 HydrophobicContact CG-CG2 4.45Å |
| 222 | E | 58.2 | Low | 58.1 | Low | 168 Ų | 168 | 101.9 Ų | 101.9 | 79% | 0.785 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 139.8 | 179.6 | -173.9 | 57.4 | -137.8 | 0 | 0 | 111.5 | L220 | L220-E222 PolarHBondContact O-N 2.9Š|
| 223 | E | 71.6 | Confident | 60.6 | Low | 76 Ų | 76 | 97.9 Ų | 97.9 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 124.5 | -171.4 | -66.5 | -173.9 | 179.3 | 0 | 0 | 110.9 | R246 | E223-R246 HydrophobicContact CG-CG 4.01Å; E223-R246 WeakPolarHBondContact OE1-CD 3.33Å; E223-R246 WeakPolarHBondContact OE1-CG 3.38Å; E223-R246 IonicContact OE1-CZ 3.46Å; E223-R246 IonicContact OE1-NE 3.59Å; E223-R246 IonicContact OE1-NH1 2.92Å; E223-R246 PolarHBondContact OE1-NH1 2.97Å |
| 224 | P | 68.6 | Low | 63.3 | Low | 19 Ų | 19 | 91.6 Ų | 91.6 | 12% | 0.123 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 145.5 | -178.3 | 25.7 | -33.4 | 0 | 0 | 0 | 111.7 | V231 R247 L249 | P224-V231 HydrophobicContact CB-CG2 4Å; P224-V231 HydrophobicContact CG-CG1 4.14Å; P224-V231 HydrophobicContact CG-CG2 4.22Å; P224-R247 VanDerWaalsContact CD-O 3.32Å; P224-R247 WeakPolarHBondContact CD-O 3.44Å; P224-R247 HydrophobicContact CG-CB 4.06Å; P224-R247 PolarHBondContact O-NE 3.02Å; P224-R247 PolarHBondContact O-NH2 3.17Å; P224-L249 HydrophobicContact CB-CD2 4.21Å; P224-L249 HydrophobicContact CB-CG 4.22Å; P224-L249 HydrophobicContact CG-CG 4.29Å |
| 225 | S | 57.6 | Low | 66.3 | Low | 83 Ų | 83 | 86.5 Ų | 86.5 | 58% | 0.58 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 154.5 | 178.1 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | T227 | S225-T227 PolarHBondContact O-N 3.43Š|
| 226 | Q | 56.6 | Low | 68.6 | Low | 169 Ų | 169 | 77.6 Ų | 77.6 | 79% | 0.79 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -9.8 | -168.9 | -169.3 | 170.8 | 20.8 | 0 | 0 | 115.1 | ||
| 227 | T | 54.8 | Low | 70.9 | Confident | 133 Ų | 133 | 75.5 Ų | 75.5 | 82% | 0.816 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -2.9 | -165.9 | -43.3 | 0 | 0 | 0 | 0 | 114.4 | S225 | S225-T227 PolarHBondContact O-N 3.43Š|
| 228 | A | 58.8 | Low | 73.2 | Confident | 48 Ų | 48 | 70.4 Ų | 70.4 | 40% | 0.397 | 37% | 0.371 | S | S | . | . | trans | -91.9 | 129.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | E230 V231 | A228-E230 PolarHBondContact O-N 3.28Å; A228-V231 HydrophobicContact CB-CG2 3.81Å; A228-V231 WeakPolarHBondContact O-CG2 3.49Å; A228-V231 PolarHBondContact O-N 3.45Å | ||
| 229 | E | 61.6 | Low | 74.9 | Confident | 192 Ų | 192 | 72.8 Ų | 72.8 | 90% | 0.897 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -11.9 | -176.7 | -71.1 | -178.8 | 161.6 | 0 | 0 | 114.4 | ||
| 230 | E | 79.4 | Confident | 76.3 | Confident | 114 Ų | 114 | 69 Ų | 69 | 53% | 0.533 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 16.9 | -176.3 | -65.2 | 177 | -172.9 | 0 | 0 | 113.7 | A228 K250 | A228-E230 PolarHBondContact O-N 3.28Å; E230-K250 HydrophobicContact CB-CD 4.35Å; E230-K250 WeakPolarHBondContact O-CG 3.37Å; E230-K250 PolarHBondContact O-N 3.5Å |
| 231 | V | 84.6 | Confident | 77 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 17% | 0.17 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 131.3 | 178.6 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | P224 A228 R247 F248 L249 | P224-V231 HydrophobicContact CB-CG2 4Å; P224-V231 HydrophobicContact CG-CG1 4.14Å; P224-V231 HydrophobicContact CG-CG2 4.22Å; A228-V231 HydrophobicContact CB-CG2 3.81Å; A228-V231 WeakPolarHBondContact O-CG2 3.49Å; A228-V231 PolarHBondContact O-N 3.45Å; V231-R247 HydrophobicContact CG1-CB 3.71Å; V231-R247 HydrophobicContact CG1-CG 4.05Å; V231-F248 CarbonylContact C-O 3.57Å; V231-F248 WeakPolarHBondContact CA-O 3.28Å; V231-L249 HydrophobicContact CG2-CD2 3.74Å |
| 232 | V | 87.6 | Confident | 78 | Confident | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.012 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.1 | 172.1 | -69 | 0 | 0 | 0 | 0 | 110.3 | R247 F248 K250 L290 I295 | V232-R247 CarbonylContact O-C 3.55Å; V232-R247 WeakPolarHBondContact O-CA 3.28Å; V232-F248 HydrophobicContact CG2-CB 4.35Å; V232-F248 WeakPolarHBondContact CG2-O 3.1Å; V232-F248 PolarHBondContact N-O 3.09Å; V232-F248 PolarHBondContact O-N 3.36Å; V232-K250 HydrophobicContact CG1-CD 4.38Å; V232-K250 HydrophobicContact CG1-CG 3.73Å; V232-L290 HydrophobicContact CG2-CD1 4.17Å; V232-I295 HydrophobicContact CG2-CG2 4.24Å |
| 233 | T | 91.1 | Very high | 79.6 | Confident | 41 Ų | 41 | 69 Ų | 69 | 25% | 0.252 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 114.9 | 173.6 | -51.2 | 0 | 0 | 0 | 0 | 109.5 | D298 T299 | T233-D298 WeakPolarHBondContact CA-OD1 3.34Å; T233-D298 VanDerWaalsContact CB-OD1 3.25Å; T233-D298 WeakPolarHBondContact CB-OD1 3.32Å; T233-D298 PolarHBondContact N-OD1 2.8Å; T233-D298 VanDerWaalsContact O-CA 3.3Å; T233-D298 WeakPolarHBondContact O-CA 3.15Å; T233-D298 PolarHBondContact OG1-OD1 3.39Å; T233-T299 PolarHBondContact O-N 3.37Å; T233-T299 VanDerWaalsContact O-N 3.11Å |
| 234 | V | 91.9 | Very high | 80.5 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124.4 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | R245 R246 F248 L257 W260 I295 T299 L301 | V234-R245 WeakPolarHBondContact O-CA 3.46Å; V234-R246 PolarHBondContact N-O 2.93Å; V234-R246 PolarHBondContact O-N 3.41Å; V234-F248 HydrophobicContact CB-CD2 3.82Å; V234-F248 HydrophobicContact CB-CE2 3.86Å; V234-F248 HydrophobicContact CG2-CD2 3.7Å; V234-F248 HydrophobicContact CG2-CE2 4.21Å; V234-L257 HydrophobicContact CB-CD2 4.48Å; V234-L257 HydrophobicContact CG1-CD2 4.15Å; V234-L257 HydrophobicContact CG2-CD2 4.27Å; V234-W260 HydrophobicContact CG1-CZ3 4.11Å; V234-I295 HydrophobicContact CG2-CG2 4.06Å; V234-T299 WeakPolarHBondContact CA-O 3.34Å; V234-L301 HydrophobicContact CG1-CB 4.5Å; V234-L301 HydrophobicContact CG1-CD1 3.55Å; V234-L301 HydrophobicContact CG1-CG 3.84Å |
| 235 | A | 93.4 | Very high | 81.6 | Confident | 11 Ų | 11 | 76.6 Ų | 76.6 | 9% | 0.091 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 108.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V243 L244 R245 T299 V300 L301 | A235-V243 HydrophobicContact CB-CG1 4.18Å; A235-L244 CarbonylContact C-O 3.17Å; A235-L244 WeakPolarHBondContact CA-O 3.3Å; A235-R245 HydrophobicContact CB-CG 4.02Å; A235-T299 PolarHBondContact N-O 2.99Å; A235-V300 HydrophobicContact CB-CG2 4.26Å; A235-V300 CarbonylContact O-C 3.51Å; A235-V300 WeakPolarHBondContact O-CA 3.45Å; A235-L301 PolarHBondContact O-N 2.89Å |
| 236 | L | 93 | Very high | 83.2 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 119.1 | 178.1 | -173 | 67.8 | 0 | 0 | 0 | 110.8 | V243 L244 W260 I264 L273 L301 L303 | L236-V243 CarbonylContact O-C 3.51Å; L236-V243 VanDerWaalsContact O-CA 3.26Å; L236-V243 WeakPolarHBondContact O-CA 3.28Å; L236-L244 HydrophobicContact CB-CB 4.46Å; L236-L244 PolarHBondContact N-O 3.34Å; L236-L244 PolarHBondContact O-N 2.87Å; L236-W260 HydrophobicContact CB-CH2 3.62Å; L236-W260 HydrophobicContact CB-CZ3 3.69Å; L236-W260 HydrophobicContact CD2-CE3 4.45Å; L236-W260 HydrophobicContact CD2-CH2 4.48Å; L236-W260 HydrophobicContact CD2-CZ3 4.26Å; L236-I264 HydrophobicContact CD2-CD1 3.82Å; L236-L273 HydrophobicContact CD1-CD2 3.26Å; L236-L301 CarbonylContact C-O 3.5Å; L236-L301 WeakPolarHBondContact CA-O 3.27Å; L236-L301 HydrophobicContact CD1-CB 4.11Å; L236-L303 HydrophobicContact CD1-CB 4.12Å; L236-L303 HydrophobicContact CD1-CD1 4.27Å; L236-L303 HydrophobicContact CD2-CD1 3.95Å; L236-L303 HydrophobicContact CG-CD1 4.35Å |
| 237 | R | 92.8 | Very high | 84.8 | Confident | 140 Ų | 140 | 69.8 Ų | 69.8 | 53% | 0.528 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 112.5 | 172.3 | -66 | -174.7 | 172 | -107.7 | 2.9 | 109.6 | V243 V300 L301 L303 | R237-V243 HydrophobicContact CG-CG1 4.33Å; R237-V243 HydrophobicContact CG-CG2 4.04Å; R237-V300 HydrophobicContact CG-CG1 3.9Å; R237-L301 PolarHBondContact N-O 3.43Å; R237-L303 WeakPolarHBondContact O-CB 3.35Å; R237-L303 PolarHBondContact O-N 2.83Å |
| 238 | C | 90.9 | Very high | 86.4 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 7% | 0.074 | 34% | 0.336 | C | S | . | . | trans | -85.5 | 150.2 | 179.2 | -57 | 0 | 0 | 0 | 0 | 111.2 | S240 G241 N242 Y266 | C238-S240 WeakPolarHBondContact CB-OG 3.23Å; C238-S240 PolarHBondContact O-N 3.06Å; C238-S240 VanDerWaalsContact O-N 3.08Å; C238-G241 PolarHBondContact O-N 2.91Å; C238-N242 WeakPolarHBondContact CB-O 3.46Å; C238-N242 PolarHBondContact N-O 3.5Å; C238-Y266 HydrophobicContact CB-CE2 4.11Å | ||
| 239 | P | 88.7 | Confident | 87.9 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 53% | 0.532 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -24.2 | 172 | -24.2 | 32.5 | 0 | 0 | 0 | 113 | G241 Y271 L303 | P239-G241 PolarHBondContact O-N 3.19Å; P239-G241 VanDerWaalsContact O-N 3.16Å; P239-Y271 HydrophobicContact CG-CE1 4.27Å; P239-L303 HydrophobicContact CG-CD2 3.65Å; P239-L303 WeakPolarHBondContact CG-O 3.38Å |
| 240 | S | 83.3 | Confident | 89.2 | Confident | 70 Ų | 70 | 56.5 Ų | 56.5 | 49% | 0.49 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -4.8 | 174.2 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | C238 N242 Y266 | C238-S240 WeakPolarHBondContact CB-OG 3.23Å; C238-S240 PolarHBondContact O-N 3.06Å; C238-S240 VanDerWaalsContact O-N 3.08Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.37Å; S240-N242 PolarHBondContact OG-ND2 2.88Å; S240-N242 VanDerWaalsContact OG-ND2 3.16Å; S240-Y266 PolarHBondContact OG-OH 2.87Å |
| 241 | G | 84.6 | Confident | 89.5 | Confident | 67 Ų | 67 | 54.5 Ų | 54.5 | 69% | 0.691 | 29% | 0.293 | S | S | * | . | S | Bend | trans | 85.2 | -4.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C238 P239 | C238-G241 PolarHBondContact O-N 2.91Å; P239-G241 PolarHBondContact O-N 3.19Å; P239-G241 VanDerWaalsContact O-N 3.16Å |
| 242 | N | 88.4 | Confident | 89.7 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 52% | 0.524 | 30% | 0.296 | S | S | . | . | trans | -81.7 | 148.4 | 175.5 | -60.9 | -61.4 | 0 | 0 | 0 | 111 | C238 S240 | C238-N242 WeakPolarHBondContact CB-O 3.46Å; C238-N242 PolarHBondContact N-O 3.5Å; S240-N242 VanDerWaalsContact C-N 3.28Å; S240-N242 PolarHBondContact O-N 3.37Å; S240-N242 PolarHBondContact OG-ND2 2.88Å; S240-N242 VanDerWaalsContact OG-ND2 3.16Å | ||
| 243 | V | 92 | Very high | 89.8 | Confident | 65 Ų | 65 | 57.4 Ų | 57.4 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.8 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | A235 L236 R237 | A235-V243 HydrophobicContact CB-CG1 4.18Å; L236-V243 CarbonylContact O-C 3.51Å; L236-V243 VanDerWaalsContact O-CA 3.26Å; L236-V243 WeakPolarHBondContact O-CA 3.28Å; R237-V243 HydrophobicContact CG-CG1 4.33Å; R237-V243 HydrophobicContact CG-CG2 4.04Å |
| 244 | L | 91 | Very high | 89.7 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.5 | 177.8 | -59.9 | 174.4 | 0 | 0 | 0 | 108.6 | A235 L236 W260 I264 | A235-L244 CarbonylContact C-O 3.17Å; A235-L244 WeakPolarHBondContact CA-O 3.3Å; L236-L244 HydrophobicContact CB-CB 4.46Å; L236-L244 PolarHBondContact N-O 3.34Å; L236-L244 PolarHBondContact O-N 2.87Å; L244-W260 HydrophobicContact CB-CH2 4.26Å; L244-W260 HydrophobicContact CB-CZ2 3.85Å; L244-W260 WeakPolarHBondContact O-CH2 3.1Å; L244-I264 HydrophobicContact CD1-CB 4.23Å; L244-I264 HydrophobicContact CD1-CD1 3.38Å; L244-I264 HydrophobicContact CD1-CG1 3.7Å; L244-I264 HydrophobicContact CD1-CG2 3.43Å; L244-I264 VanDerWaalsContact CD1-CG2 3.43Å |
| 245 | R | 92.1 | Very high | 89.5 | Confident | 192 Ų | 192 | 60 Ų | 60 | 73% | 0.725 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.6 | 180 | -62.9 | -176 | 179.9 | -162.7 | -0.9 | 108.8 | V234 A235 | V234-R245 WeakPolarHBondContact O-CA 3.46Å; A235-R245 HydrophobicContact CB-CG 4.02Å |
| 246 | R | 90.4 | Very high | 89.3 | Confident | 27 Ų | 27 | 60.5 Ų | 60.5 | 10% | 0.102 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 145.6 | 175.4 | -178.5 | 166.1 | -179.7 | 126.3 | -11.3 | 109.6 | P221 E223 V234 F248 W260 | P221-R246 PolarHBondContact O-NH2 3.33Å; E223-R246 HydrophobicContact CG-CG 4.01Å; E223-R246 WeakPolarHBondContact OE1-CD 3.33Å; E223-R246 WeakPolarHBondContact OE1-CG 3.38Å; E223-R246 IonicContact OE1-CZ 3.46Å; E223-R246 IonicContact OE1-NE 3.59Å; E223-R246 IonicContact OE1-NH1 2.92Å; E223-R246 PolarHBondContact OE1-NH1 2.97Å; V234-R246 PolarHBondContact N-O 2.93Å; V234-R246 PolarHBondContact O-N 3.41Å; R246-F248 HydrophobicContact CB-CE2 3.67Å; R246-F248 HydrophobicContact CB-CZ 3.87Å; R246-F248 VanDerWaalsContact CD-CZ 3.47Å; R246-F248 HydrophobicContact CG-CD2 4.38Å; R246-F248 HydrophobicContact CG-CE1 4.07Å; R246-F248 HydrophobicContact CG-CE2 3.72Å; R246-F248 HydrophobicContact CG-CZ 3.56Å; R246-W260 HydrophobicContact CB-CD2 4.41Å; R246-W260 HydrophobicContact CB-CH2 3.82Å; R246-W260 HydrophobicContact CB-CZ2 3.47Å; R246-W260 VanDerWaalsContact CB-CZ2 3.47Å; R246-W260 HydrophobicContact CB-CZ3 4.42Å |
| 247 | R | 90.6 | Very high | 89.2 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 142 | 175.7 | -68.1 | -174 | -61.2 | -96.5 | -8 | 109.9 | P224 V231 V232 | P224-R247 VanDerWaalsContact CD-O 3.32Å; P224-R247 WeakPolarHBondContact CD-O 3.44Å; P224-R247 HydrophobicContact CG-CB 4.06Å; P224-R247 PolarHBondContact O-NE 3.02Å; P224-R247 PolarHBondContact O-NH2 3.17Å; V231-R247 HydrophobicContact CG1-CB 3.71Å; V231-R247 HydrophobicContact CG1-CG 4.05Å; V232-R247 CarbonylContact O-C 3.55Å; V232-R247 WeakPolarHBondContact O-CA 3.28Å |
| 248 | F | 89.3 | Confident | 89 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 156.2 | 177.1 | -60.8 | -83.1 | 0 | 0 | 0 | 109.5 | V231 V232 V234 R246 Y252 V256 L257 W260 L290 | V231-F248 CarbonylContact C-O 3.57Å; V231-F248 WeakPolarHBondContact CA-O 3.28Å; V232-F248 HydrophobicContact CG2-CB 4.35Å; V232-F248 WeakPolarHBondContact CG2-O 3.1Å; V232-F248 PolarHBondContact N-O 3.09Å; V232-F248 PolarHBondContact O-N 3.36Å; V234-F248 HydrophobicContact CB-CD2 3.82Å; V234-F248 HydrophobicContact CB-CE2 3.86Å; V234-F248 HydrophobicContact CG2-CD2 3.7Å; V234-F248 HydrophobicContact CG2-CE2 4.21Å; R246-F248 HydrophobicContact CB-CE2 3.67Å; R246-F248 HydrophobicContact CB-CZ 3.87Å; R246-F248 VanDerWaalsContact CD-CZ 3.47Å; R246-F248 HydrophobicContact CG-CD2 4.38Å; R246-F248 HydrophobicContact CG-CE1 4.07Å; R246-F248 HydrophobicContact CG-CE2 3.72Å; R246-F248 HydrophobicContact CG-CZ 3.56Å; F248-Y252 HydrophobicContact CB-CD2 4.32Å; F248-Y252 HydrophobicContact CD1-CD2 4.19Å; F248-V256 HydrophobicContact CD1-CG1 3.85Å; F248-V256 HydrophobicContact CE1-CG1 3.66Å; F248-L257 HydrophobicContact CD2-CD2 4.06Å; F248-L257 HydrophobicContact CE1-CD2 4.47Å; F248-L257 HydrophobicContact CE2-CD2 3.76Å; F248-L257 HydrophobicContact CZ-CD2 3.97Å; F248-W260 HydrophobicContact CE2-CD2 4.39Å; F248-W260 AromaticContact CE2-CE3 3.88Å; F248-W260 HydrophobicContact CE2-CE3 3.88Å; F248-W260 AromaticContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CZ-CB 4.32Å; F248-W260 AromaticContact CZ-CD2 3.81Å; F248-W260 HydrophobicContact CZ-CD2 3.81Å; F248-W260 AromaticContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CG 4.13Å; F248-W260 HydrophobicContact CZ-CZ3 4.2Å; F248-L290 HydrophobicContact CB-CD1 3.53Å; F248-L290 HydrophobicContact CG-CD1 4.26Å |
| 249 | L | 88.6 | Confident | 89 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 143.6 | 170.9 | -68.5 | 171.8 | 0 | 0 | 0 | 109.6 | P224 V231 S251 Y252 L290 | P224-L249 HydrophobicContact CB-CD2 4.21Å; P224-L249 HydrophobicContact CB-CG 4.22Å; P224-L249 HydrophobicContact CG-CG 4.29Å; V231-L249 HydrophobicContact CG2-CD2 3.74Å; L249-S251 PolarHBondContact O-N 3.38Å; L249-Y252 HydrophobicContact CB-CD1 3.82Å; L249-Y252 HydrophobicContact CB-CD2 4.41Å; L249-Y252 HydrophobicContact CB-CE1 3.94Å; L249-Y252 HydrophobicContact CB-CE2 4.49Å; L249-Y252 HydrophobicContact CB-CG 4.08Å; L249-Y252 HydrophobicContact CD1-CD1 4.31Å; L249-Y252 HydrophobicContact CD1-CE1 3.62Å; L249-Y252 HydrophobicContact CG-CE1 4.16Å; L249-Y252 WeakPolarHBondContact O-CB 3.41Å; L249-Y252 PolarHBondContact O-N 3.19Å; L249-L290 WeakPolarHBondContact O-CD1 3.4Å |
| 250 | K | 89.4 | Confident | 89 | Confident | 53 Ų | 53 | 53.5 Ų | 53.5 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -33.8 | 177.3 | -71.9 | 169.6 | -174.9 | 172.6 | 0 | 112.9 | E230 V232 Y252 L290 E291 T296 | E230-K250 HydrophobicContact CB-CD 4.35Å; E230-K250 WeakPolarHBondContact O-CG 3.37Å; E230-K250 PolarHBondContact O-N 3.5Å; V232-K250 HydrophobicContact CG1-CD 4.38Å; V232-K250 HydrophobicContact CG1-CG 3.73Å; K250-Y252 VanDerWaalsContact C-N 3.27Å; K250-Y252 PolarHBondContact O-N 3.47Å; K250-L290 PolarHBondContact O-N 3.28Å; K250-E291 HydrophobicContact CB-CB 4.43Å; K250-E291 PolarHBondContact O-N 3.07Å; K250-T296 VanDerWaalsContact CE-O 3.28Å; K250-T296 WeakPolarHBondContact CE-O 3.26Å |
| 251 | S | 86.9 | Confident | 89.3 | Confident | 71 Ų | 71 | 50.1 Ų | 50.1 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -6.9 | 178.1 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | L249 | L249-S251 PolarHBondContact O-N 3.38Š|
| 252 | Y | 88.1 | Confident | 89.6 | Confident | 58 Ų | 58 | 49 Ų | 49 | 23% | 0.227 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -69.3 | 146.9 | 177.3 | -77.4 | 0.8 | 0 | 0 | 0 | 111.7 | P221 F248 L249 K250 V256 S289 L290 | P221-Y252 HydrophobicContact CB-CE2 4.09Å; P221-Y252 HydrophobicContact CG-CD2 4.3Å; P221-Y252 HydrophobicContact CG-CE2 3.74Å; F248-Y252 HydrophobicContact CB-CD2 4.32Å; F248-Y252 HydrophobicContact CD1-CD2 4.19Å; L249-Y252 HydrophobicContact CB-CD1 3.82Å; L249-Y252 HydrophobicContact CB-CD2 4.41Å; L249-Y252 HydrophobicContact CB-CE1 3.94Å; L249-Y252 HydrophobicContact CB-CE2 4.49Å; L249-Y252 HydrophobicContact CB-CG 4.08Å; L249-Y252 HydrophobicContact CD1-CD1 4.31Å; L249-Y252 HydrophobicContact CD1-CE1 3.62Å; L249-Y252 HydrophobicContact CG-CE1 4.16Å; L249-Y252 WeakPolarHBondContact O-CB 3.41Å; L249-Y252 PolarHBondContact O-N 3.19Å; K250-Y252 VanDerWaalsContact C-N 3.27Å; K250-Y252 PolarHBondContact O-N 3.47Å; Y252-V256 HydrophobicContact CD2-CG1 4.36Å; Y252-S289 CarbonylContact O-C 3.57Å; Y252-S289 VanDerWaalsContact O-CA 3.3Å; Y252-S289 WeakPolarHBondContact O-CA 3.44Å; Y252-L290 PolarHBondContact O-N 2.63Å |
| 253 | S | 89.6 | Confident | 89.6 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 142.3 | 171.3 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | Q255 V256 | S253-Q255 PolarHBondContact O-N 2.97Å; S253-Q255 VanDerWaalsContact O-N 3.17Å; S253-Q255 WeakPolarHBondContact OG-CB 3.34Å; S253-Q255 PolarHBondContact OG-N 3.48Å; S253-V256 WeakPolarHBondContact O-CB 3.16Å; S253-V256 WeakPolarHBondContact O-CG2 3.19Å; S253-V256 PolarHBondContact O-N 2.85Å |
| 254 | S | 88.4 | Confident | 89.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.3 | 173.2 | 69.1 | 0 | 0 | 0 | 0 | 114.2 | V256 L257 F258 Q288 | S254-V256 PolarHBondContact O-N 3.17Å; S254-L257 WeakPolarHBondContact O-CB 3.04Å; S254-L257 PolarHBondContact O-N 3.37Å; S254-F258 WeakPolarHBondContact O-CD2 3.08Å; S254-Q288 WeakPolarHBondContact CB-O 3.28Å; S254-Q288 PolarHBondContact N-O 3.34Å; S254-Q288 PolarHBondContact OG-O 3.48Å |
| 255 | Q | 88.6 | Confident | 89.3 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 44% | 0.439 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.9 | -35.2 | 172.3 | -68.7 | 175.3 | -16.8 | 0 | 0 | 111.9 | S253 L257 F258 D259 | S253-Q255 PolarHBondContact O-N 2.97Å; S253-Q255 VanDerWaalsContact O-N 3.17Å; S253-Q255 WeakPolarHBondContact OG-CB 3.34Å; S253-Q255 PolarHBondContact OG-N 3.48Å; Q255-L257 PolarHBondContact O-N 2.84Å; Q255-L257 VanDerWaalsContact O-N 3.15Å; Q255-F258 CarbonylContact O-C 3.59Å; Q255-F258 WeakPolarHBondContact O-CA 3.49Å; Q255-F258 WeakPolarHBondContact O-CB 3.35Å; Q255-F258 PolarHBondContact O-N 3.22Å; Q255-D259 PolarHBondContact O-N 2.96Å |
| 256 | V | 89.1 | Confident | 89.1 | Confident | 20 Ų | 20 | 42.7 Ų | 42.7 | 12% | 0.121 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -29.4 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L220 P221 F248 Y252 S253 S254 W260 | L220-V256 HydrophobicContact CD1-CG1 4.13Å; P221-V256 HydrophobicContact CG-CG1 3.82Å; P221-V256 HydrophobicContact CG-CG2 4.45Å; F248-V256 HydrophobicContact CD1-CG1 3.85Å; F248-V256 HydrophobicContact CE1-CG1 3.66Å; Y252-V256 HydrophobicContact CD2-CG1 4.36Å; S253-V256 WeakPolarHBondContact O-CB 3.16Å; S253-V256 WeakPolarHBondContact O-CG2 3.19Å; S253-V256 PolarHBondContact O-N 2.85Å; S254-V256 PolarHBondContact O-N 3.17Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.19Å; V256-W260 PolarHBondContact O-N 2.91Å |
| 257 | L | 89.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.6 | -38 | 174.9 | -63.5 | 176.4 | 0 | 0 | 0 | 112.1 | V234 F248 S254 Q255 W260 M261 L273 L282 L290 I295 L301 | V234-L257 HydrophobicContact CB-CD2 4.48Å; V234-L257 HydrophobicContact CG1-CD2 4.15Å; V234-L257 HydrophobicContact CG2-CD2 4.27Å; F248-L257 HydrophobicContact CD2-CD2 4.06Å; F248-L257 HydrophobicContact CE1-CD2 4.47Å; F248-L257 HydrophobicContact CE2-CD2 3.76Å; F248-L257 HydrophobicContact CZ-CD2 3.97Å; S254-L257 WeakPolarHBondContact O-CB 3.04Å; S254-L257 PolarHBondContact O-N 3.37Å; Q255-L257 PolarHBondContact O-N 2.84Å; Q255-L257 VanDerWaalsContact O-N 3.15Å; L257-W260 HydrophobicContact CD2-CE3 4.48Å; L257-W260 PolarHBondContact O-N 3.48Å; L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.38Å; L257-L273 HydrophobicContact CB-CD1 3.81Å; L257-L282 HydrophobicContact CD1-CD1 4.19Å; L257-L290 HydrophobicContact CD1-CD2 3.43Å; L257-L290 VanDerWaalsContact CD1-CD2 3.43Å; L257-L290 HydrophobicContact CD2-CD2 4.34Å; L257-L290 HydrophobicContact CG-CD2 3.77Å; L257-I295 HydrophobicContact CD1-CD1 3.69Å; L257-L301 HydrophobicContact CD1-CD1 3.82Å; L257-L301 HydrophobicContact CD2-CD1 4.48Å |
| 258 | F | 89.9 | Confident | 89 | Confident | 9 Ų | 9 | 45.2 Ų | 45.2 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.8 | -33.9 | 177.6 | -66.1 | -69.1 | 0 | 0 | 0 | 112.1 | S254 Q255 W260 M261 T262 I268 L273 L282 V284 | S254-F258 WeakPolarHBondContact O-CD2 3.08Å; Q255-F258 CarbonylContact O-C 3.59Å; Q255-F258 WeakPolarHBondContact O-CA 3.49Å; Q255-F258 WeakPolarHBondContact O-CB 3.35Å; Q255-F258 PolarHBondContact O-N 3.22Å; F258-W260 VanDerWaalsContact C-N 3.35Å; F258-M261 HydrophobicContact CD1-SD 4.28Å; F258-M261 WeakPolarHBondContact O-CB 3.15Å; F258-M261 PolarHBondContact O-N 2.73Å; F258-T262 WeakPolarHBondContact O-CB 3.29Å; F258-T262 PolarHBondContact O-N 3.25Å; F258-T262 PolarHBondContact O-OG1 3.03Å; F258-I268 HydrophobicContact CB-CG2 3.72Å; F258-I268 HydrophobicContact CD1-CG2 3.84Å; F258-I268 HydrophobicContact CG-CG2 4.13Å; F258-L273 HydrophobicContact CD1-CD1 3.96Å; F258-L273 HydrophobicContact CD1-CG 4.35Å; F258-L273 HydrophobicContact CE1-CB 4.24Å; F258-L273 HydrophobicContact CE1-CD1 3.86Å; F258-L273 HydrophobicContact CE1-CG 4.03Å; F258-L273 HydrophobicContact CZ-CD1 4.36Å; F258-L282 HydrophobicContact CZ-CB 4.16Å; F258-V284 HydrophobicContact CD1-CG2 4.38Å; F258-V284 HydrophobicContact CD2-CG1 4.44Å; F258-V284 HydrophobicContact CE1-CG2 3.83Å; F258-V284 HydrophobicContact CE2-CB 4.41Å; F258-V284 HydrophobicContact CE2-CG1 4.42Å; F258-V284 HydrophobicContact CE2-CG2 4.06Å; F258-V284 HydrophobicContact CZ-CB 4.44Å; F258-V284 HydrophobicContact CZ-CG2 3.65Å |
| 259 | D | 90.1 | Very high | 88.9 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 32% | 0.316 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 170.1 | -69.5 | -20.8 | 0 | 0 | 0 | 110.8 | P218 L220 Q255 M261 T262 R263 | P218-D259 HydrophobicContact CB-CB 3.75Å; P218-D259 HydrophobicContact CG-CB 4.25Å; L220-D259 HydrophobicContact CD1-CB 3.7Å; Q255-D259 PolarHBondContact O-N 2.96Å; D259-M261 PolarHBondContact O-N 2.62Å; D259-T262 PolarHBondContact O-N 3.43Å; D259-R263 WeakPolarHBondContact O-CB 3.48Å; D259-R263 PolarHBondContact O-N 2.91Å |
| 260 | W | 89.7 | Confident | 88.9 | Confident | 17 Ų | 17 | 50.5 Ų | 50.5 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 174.9 | -179.6 | 39.7 | 0 | 0 | 0 | 111.8 | L220 V234 L236 L244 R246 F248 V256 L257 F258 T262 R263 I264 | L220-W260 HydrophobicContact CD1-CB 3.84Å; L220-W260 VanDerWaalsContact CD1-N 3.32Å; L220-W260 HydrophobicContact CD2-CB 3.54Å; L220-W260 HydrophobicContact CD2-CG 3.65Å; L220-W260 HydrophobicContact CG-CB 4.31Å; V234-W260 HydrophobicContact CG1-CZ3 4.11Å; L236-W260 HydrophobicContact CB-CH2 3.62Å; L236-W260 HydrophobicContact CB-CZ3 3.69Å; L236-W260 HydrophobicContact CD2-CE3 4.45Å; L236-W260 HydrophobicContact CD2-CH2 4.48Å; L236-W260 HydrophobicContact CD2-CZ3 4.26Å; L244-W260 HydrophobicContact CB-CH2 4.26Å; L244-W260 HydrophobicContact CB-CZ2 3.85Å; L244-W260 WeakPolarHBondContact O-CH2 3.1Å; R246-W260 HydrophobicContact CB-CD2 4.41Å; R246-W260 HydrophobicContact CB-CH2 3.82Å; R246-W260 HydrophobicContact CB-CZ2 3.47Å; R246-W260 VanDerWaalsContact CB-CZ2 3.47Å; R246-W260 HydrophobicContact CB-CZ3 4.42Å; F248-W260 HydrophobicContact CE2-CD2 4.39Å; F248-W260 AromaticContact CE2-CE3 3.88Å; F248-W260 HydrophobicContact CE2-CE3 3.88Å; F248-W260 AromaticContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CE2-CZ3 3.97Å; F248-W260 HydrophobicContact CZ-CB 4.32Å; F248-W260 AromaticContact CZ-CD2 3.81Å; F248-W260 HydrophobicContact CZ-CD2 3.81Å; F248-W260 AromaticContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CE3 3.64Å; F248-W260 HydrophobicContact CZ-CG 4.13Å; F248-W260 HydrophobicContact CZ-CZ3 4.2Å; V256-W260 VanDerWaalsContact O-CB 3.3Å; V256-W260 WeakPolarHBondContact O-CB 3.19Å; V256-W260 PolarHBondContact O-N 2.91Å; L257-W260 HydrophobicContact CD2-CE3 4.48Å; L257-W260 PolarHBondContact O-N 3.48Å; F258-W260 VanDerWaalsContact C-N 3.35Å; W260-T262 VanDerWaalsContact C-N 3.33Å; W260-T262 PolarHBondContact O-N 2.87Å; W260-R263 WeakPolarHBondContact O-CB 3.43Å; W260-R263 PolarHBondContact O-N 2.83Å; W260-I264 HydrophobicContact CD2-CD1 3.89Å; W260-I264 HydrophobicContact CG-CD1 4Å; W260-I264 HydrophobicContact CZ2-CD1 4.07Å; W260-I264 WeakPolarHBondContact O-CD1 3.4Å; W260-I264 VanDerWaalsContact O-CG1 3.26Å; W260-I264 WeakPolarHBondContact O-CG1 3.41Å; W260-I264 PolarHBondContact O-N 2.77Å |
| 261 | M | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.5 | -47.5 | 173.4 | -175.8 | -167.4 | -137.6 | 0 | 0 | 111.5 | L257 F258 D259 R263 I264 G265 Y266 I268 Y271 L273 L303 | L257-M261 WeakPolarHBondContact O-CB 3.36Å; L257-M261 PolarHBondContact O-N 3.38Å; F258-M261 HydrophobicContact CD1-SD 4.28Å; F258-M261 WeakPolarHBondContact O-CB 3.15Å; F258-M261 PolarHBondContact O-N 2.73Å; D259-M261 PolarHBondContact O-N 2.62Å; M261-R263 PolarHBondContact O-N 3.22Å; M261-I264 PolarHBondContact O-N 3.5Å; M261-G265 PolarHBondContact O-N 2.86Å; M261-Y266 CarbonylContact C-O 3.58Å; M261-Y266 WeakPolarHBondContact CG-O 3.25Å; M261-Y266 PolarHBondContact O-N 3.49Å; M261-Y266 VanDerWaalsContact O-O 3.11Å; M261-I268 HydrophobicContact SD-CG2 4.46Å; M261-Y271 VanDerWaalsContact CE-CB 3.49Å; M261-L273 HydrophobicContact CE-CD2 3.7Å; M261-L273 HydrophobicContact CE-CG 3.87Å; M261-L273 HydrophobicContact SD-CD2 4.37Å; M261-L273 HydrophobicContact SD-CG 4.19Å; M261-L303 HydrophobicContact CE-CB 4.48Å; M261-L303 HydrophobicContact CE-CD1 3.35Å; M261-L303 HydrophobicContact CE-CD2 4.27Å; M261-L303 HydrophobicContact CE-CG 3.4Å; M261-L303 VanDerWaalsContact CE-CG 3.4Å; M261-L303 HydrophobicContact CG-CD1 3.76Å; M261-L303 HydrophobicContact SD-CD1 4.44Å |
| 262 | T | 89.7 | Confident | 89.2 | Confident | 42 Ų | 42 | 48.7 Ų | 48.7 | 26% | 0.258 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | F258 D259 W260 I264 G265 Y266 | F258-T262 WeakPolarHBondContact O-CB 3.29Å; F258-T262 PolarHBondContact O-N 3.25Å; F258-T262 PolarHBondContact O-OG1 3.03Å; D259-T262 PolarHBondContact O-N 3.43Å; W260-T262 VanDerWaalsContact C-N 3.33Å; W260-T262 PolarHBondContact O-N 2.87Å; T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact O-N 2.77Å; T262-G265 WeakPolarHBondContact O-CA 3.31Å; T262-G265 PolarHBondContact O-N 3.49Å; T262-Y266 VanDerWaalsContact CA-O 3.23Å; T262-Y266 WeakPolarHBondContact CA-O 3.33Å; T262-Y266 PolarHBondContact N-O 2.76Å |
| 263 | R | 88.1 | Confident | 89.4 | Confident | 129 Ų | 129 | 46 Ų | 46 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -33.2 | 175.6 | -174.3 | 177.1 | -179.4 | 115.2 | -5.2 | 113.2 | D259 W260 M261 G265 | D259-R263 WeakPolarHBondContact O-CB 3.48Å; D259-R263 PolarHBondContact O-N 2.91Å; W260-R263 WeakPolarHBondContact O-CB 3.43Å; W260-R263 PolarHBondContact O-N 2.83Å; M261-R263 PolarHBondContact O-N 3.22Å; R263-G265 PolarHBondContact O-N 2.87Å |
| 264 | I | 88.3 | Confident | 89.5 | Confident | 56 Ų | 56 | 44.5 Ų | 44.5 | 29% | 0.287 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.4 | -18.1 | 175.2 | -65.2 | 158.3 | 0 | 0 | 0 | 111.4 | L236 L244 W260 M261 T262 Y266 | L236-I264 HydrophobicContact CD2-CD1 3.82Å; L244-I264 HydrophobicContact CD1-CB 4.23Å; L244-I264 HydrophobicContact CD1-CD1 3.38Å; L244-I264 HydrophobicContact CD1-CG1 3.7Å; L244-I264 HydrophobicContact CD1-CG2 3.43Å; L244-I264 VanDerWaalsContact CD1-CG2 3.43Å; W260-I264 HydrophobicContact CD2-CD1 3.89Å; W260-I264 HydrophobicContact CG-CD1 4Å; W260-I264 HydrophobicContact CZ2-CD1 4.07Å; W260-I264 WeakPolarHBondContact O-CD1 3.4Å; W260-I264 VanDerWaalsContact O-CG1 3.26Å; W260-I264 WeakPolarHBondContact O-CG1 3.41Å; W260-I264 PolarHBondContact O-N 2.77Å; M261-I264 PolarHBondContact O-N 3.5Å; T262-I264 VanDerWaalsContact C-N 3.31Å; T262-I264 PolarHBondContact O-N 2.77Å; I264-Y266 HydrophobicContact CB-CD2 4.28Å; I264-Y266 HydrophobicContact CG2-CD2 3.71Å; I264-Y266 HydrophobicContact CG2-CE2 3.73Å |
| 265 | G | 88.4 | Confident | 89.6 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 66% | 0.66 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 107.7 | 12.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M261 T262 R263 | M261-G265 PolarHBondContact O-N 2.86Å; T262-G265 WeakPolarHBondContact O-CA 3.31Å; T262-G265 PolarHBondContact O-N 3.49Å; R263-G265 PolarHBondContact O-N 2.87Å |
| 266 | Y | 89.6 | Confident | 89.5 | Confident | 36 Ų | 36 | 43.8 Ų | 43.8 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | trans | -105.4 | 115.4 | 175.2 | -64.8 | -75.6 | 0 | 0 | 0 | 109.5 | C238 S240 M261 T262 I264 Y271 L303 | C238-Y266 HydrophobicContact CB-CE2 4.11Å; S240-Y266 PolarHBondContact OG-OH 2.87Å; M261-Y266 CarbonylContact C-O 3.58Å; M261-Y266 WeakPolarHBondContact CG-O 3.25Å; M261-Y266 PolarHBondContact O-N 3.49Å; M261-Y266 VanDerWaalsContact O-O 3.11Å; T262-Y266 VanDerWaalsContact CA-O 3.23Å; T262-Y266 WeakPolarHBondContact CA-O 3.33Å; T262-Y266 PolarHBondContact N-O 2.76Å; I264-Y266 HydrophobicContact CB-CD2 4.28Å; I264-Y266 HydrophobicContact CG2-CD2 3.71Å; I264-Y266 HydrophobicContact CG2-CE2 3.73Å; Y266-Y271 HydrophobicContact CD1-CD1 4.36Å; Y266-Y271 AromaticContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CE1 4.29Å; Y266-Y271 AromaticContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CG 4.12Å; Y266-Y271 AromaticContact CD1-CZ 3.94Å; Y266-Y271 HydrophobicContact CE1-CE2 4.41Å; Y266-Y271 HydrophobicContact CG-CD2 4.4Å; Y266-L303 HydrophobicContact CD1-CD1 4.28Å; Y266-L303 HydrophobicContact CD1-CD2 3.53Å; Y266-L303 HydrophobicContact CD2-CD1 3.65Å; Y266-L303 HydrophobicContact CD2-CD2 4.3Å; Y266-L303 HydrophobicContact CE1-CD2 3.85Å; Y266-L303 HydrophobicContact CE2-CD1 4.27Å; Y266-L303 HydrophobicContact CG-CD1 3.66Å; Y266-L303 HydrophobicContact CG-CD2 3.79Å; Y266-L303 HydrophobicContact CG-CG 4.4Å | ||
| 267 | H | 89.8 | Confident | 89.2 | Confident | 95 Ų | 95 | 51.8 Ų | 51.8 | 44% | 0.44 | 28% | 0.276 | S | S | . | . | trans | -86.4 | 139.4 | -177.7 | -165.9 | -102.8 | 0 | 0 | 0 | 111.9 | S269 L270 Y271 | H267-S269 PolarHBondContact CE1-OG 3.22Å; H267-S269 WeakPolarHBondContact ND1-CB 3.18Å; H267-S269 PolarHBondContact ND1-N 3.49Å; H267-S269 PolarHBondContact ND1-OG 2.86Å; H267-S269 PolarHBondContact O-N 3.38Å; H267-S269 VanDerWaalsContact O-N 3.08Å; H267-L270 PolarHBondContact O-N 2.83Å; H267-Y271 PolarHBondContact O-N 3.4Å | ||
| 268 | I | 88.1 | Confident | 89 | Confident | 68 Ų | 68 | 54.9 Ų | 54.9 | 35% | 0.349 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -23.2 | -179.4 | 57.3 | 172.9 | 0 | 0 | 0 | 115 | F258 M261 Y271 | F258-I268 HydrophobicContact CB-CG2 3.72Å; F258-I268 HydrophobicContact CD1-CG2 3.84Å; F258-I268 HydrophobicContact CG-CG2 4.13Å; M261-I268 HydrophobicContact SD-CG2 4.46Å; I268-Y271 CarbonylContact C-O 3.58Å |
| 269 | S | 87.6 | Confident | 88.9 | Confident | 71 Ų | 71 | 63 Ų | 63 | 50% | 0.497 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -27.9 | 177.1 | -49.6 | 0 | 0 | 0 | 0 | 113.1 | H267 | H267-S269 PolarHBondContact CE1-OG 3.22Å; H267-S269 WeakPolarHBondContact ND1-CB 3.18Å; H267-S269 PolarHBondContact ND1-N 3.49Å; H267-S269 PolarHBondContact ND1-OG 2.86Å; H267-S269 PolarHBondContact O-N 3.38Å; H267-S269 VanDerWaalsContact O-N 3.08Å |
| 270 | L | 88.8 | Confident | 88.8 | Confident | 81 Ų | 81 | 68 Ų | 68 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -26.1 | -175.3 | -62.1 | 178.8 | 0 | 0 | 0 | 112.3 | H267 K306 | H267-L270 PolarHBondContact O-N 2.83Å; L270-K306 PolarHBondContact O-N 3.05Å |
| 271 | Y | 90.6 | Very high | 88.7 | Confident | 56 Ų | 56 | 72 Ų | 72 | 22% | 0.22 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.2 | -175.5 | -62.6 | -81.8 | 0 | 0 | 0 | 111.1 | P239 M261 Y266 H267 I268 L303 E304 E305 | P239-Y271 HydrophobicContact CG-CE1 4.27Å; M261-Y271 VanDerWaalsContact CE-CB 3.49Å; Y266-Y271 HydrophobicContact CD1-CD1 4.36Å; Y266-Y271 AromaticContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CD2 3.77Å; Y266-Y271 HydrophobicContact CD1-CE1 4.29Å; Y266-Y271 AromaticContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CE2 3.67Å; Y266-Y271 HydrophobicContact CD1-CG 4.12Å; Y266-Y271 AromaticContact CD1-CZ 3.94Å; Y266-Y271 HydrophobicContact CE1-CE2 4.41Å; Y266-Y271 HydrophobicContact CG-CD2 4.4Å; H267-Y271 PolarHBondContact O-N 3.4Å; I268-Y271 CarbonylContact C-O 3.58Å; Y271-L303 HydrophobicContact CD1-CD2 3.38Å; Y271-L303 HydrophobicContact CE1-CD2 4.04Å; Y271-L303 HydrophobicContact CG-CD2 3.69Å; Y271-E304 CarbonylContact C-O 3.59Å; Y271-E304 VanDerWaalsContact CA-O 3.22Å; Y271-E304 WeakPolarHBondContact CA-O 3.37Å; Y271-E305 HydrophobicContact CD1-CB 4.29Å; Y271-E305 HydrophobicContact CE1-CB 4.16Å; Y271-E305 HydrophobicContact CE1-CG 4.42Å |
| 272 | S | 91.4 | Very high | 88.5 | Confident | 29 Ų | 29 | 72.7 Ų | 72.7 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 156.5 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 110.4 | E304 | S272-E304 PolarHBondContact N-O 2.66Å; S272-E304 PolarHBondContact O-N 3.47Å |
| 273 | L | 92 | Very high | 87.9 | Confident | 2 Ų | 2 | 73.4 Ų | 73.4 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.1 | 175.4 | -68 | 175.9 | 0 | 0 | 0 | 108.8 | L236 L257 F258 M261 P281 L282 L301 | L236-L273 HydrophobicContact CD1-CD2 3.26Å; L257-L273 HydrophobicContact CB-CD1 3.81Å; F258-L273 HydrophobicContact CD1-CD1 3.96Å; F258-L273 HydrophobicContact CD1-CG 4.35Å; F258-L273 HydrophobicContact CE1-CB 4.24Å; F258-L273 HydrophobicContact CE1-CD1 3.86Å; F258-L273 HydrophobicContact CE1-CG 4.03Å; F258-L273 HydrophobicContact CZ-CD1 4.36Å; M261-L273 HydrophobicContact CE-CD2 3.7Å; M261-L273 HydrophobicContact CE-CG 3.87Å; M261-L273 HydrophobicContact SD-CD2 4.37Å; M261-L273 HydrophobicContact SD-CG 4.19Å; L273-P281 CarbonylContact O-C 3.54Å; L273-P281 WeakPolarHBondContact O-CA 3.36Å; L273-L282 HydrophobicContact CB-CB 4.26Å; L273-L282 HydrophobicContact CB-CD1 3.87Å; L273-L282 HydrophobicContact CB-CG 4.12Å; L273-L282 HydrophobicContact CD1-CD1 4.43Å; L273-L282 WeakPolarHBondContact O-CB 3.44Å; L273-L282 PolarHBondContact O-N 2.9Å; L273-L301 HydrophobicContact CD1-CD1 4.42Å |
| 274 | S | 91.8 | Very high | 87 | Confident | 3 Ų | 3 | 71.7 Ų | 71.7 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.4 | 177.7 | -66.1 | 0 | 0 | 0 | 0 | 111 | R280 L301 I302 E304 | S274-R280 CarbonylContact C-O 3.55Å; S274-R280 VanDerWaalsContact CA-O 3.29Å; S274-R280 WeakPolarHBondContact CA-O 3.36Å; S274-L301 CarbonylContact O-C 3.49Å; S274-L301 WeakPolarHBondContact O-CA 3.38Å; S274-I302 PolarHBondContact N-O 2.7Å; S274-I302 PolarHBondContact O-N 3.35Å; S274-E304 VanDerWaalsContact CB-OE2 3.28Å; S274-E304 WeakPolarHBondContact CB-OE2 3.22Å; S274-E304 PolarHBondContact OG-OE2 3.36Å |
| 275 | T | 91.4 | Very high | 86 | Confident | 27 Ų | 27 | 74.8 Ų | 74.8 | 17% | 0.166 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 157.9 | 171.6 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | P278 R279 R280 L282 L301 | T275-P278 PolarHBondContact OG1-O 2.89Å; T275-R279 WeakPolarHBondContact O-CA 3.21Å; T275-R280 PolarHBondContact N-O 3.37Å; T275-R280 PolarHBondContact OG1-N 3.44Å; T275-R280 PolarHBondContact OG1-O 3.42Å; T275-L282 HydrophobicContact CG2-CD2 3.92Å; T275-L301 HydrophobicContact CG2-CD2 4.27Å |
| 276 | S | 86.3 | Confident | 84.9 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -73.4 | -51 | -179.5 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | R279 V300 | S276-R279 WeakPolarHBondContact O-CG 3.27Å; S276-V300 PolarHBondContact N-O 2.9Å |
| 277 | F | 82 | Confident | 84 | Confident | 188 Ų | 188 | 75.5 Ų | 75.5 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -156.6 | 130.3 | 178 | -172.4 | -96.6 | 0 | 0 | 0 | 112.5 | ||
| 278 | P | 86.3 | Confident | 83.6 | Confident | 66 Ų | 66 | 74 Ų | 74 | 43% | 0.429 | 41% | 0.411 | S | S | . | . | S | Bend | cis | -61.6 | 141.3 | -14.5 | 28.4 | -34.3 | 0 | 0 | 0 | 109.8 | T275 R280 | T275-P278 PolarHBondContact OG1-O 2.89Å; P278-R280 PolarHBondContact O-N 2.94Å |
| 279 | R | 87.9 | Confident | 83.7 | Confident | 180 Ų | 180 | 71.5 Ų | 71.5 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | trans | -65.6 | 117 | -179.2 | -68.8 | -170.7 | -174.7 | -167.2 | 5.4 | 109.9 | T275 S276 | T275-R279 WeakPolarHBondContact O-CA 3.21Å; S276-R279 WeakPolarHBondContact O-CG 3.27Å | ||
| 280 | R | 87.4 | Confident | 83.7 | Confident | 165 Ų | 165 | 68.1 Ų | 68.1 | 62% | 0.623 | 38% | 0.376 | S | S | * | . | trans | -138.7 | 130 | 177.6 | -66.3 | -177.9 | 179.6 | 171.5 | -0.2 | 109.1 | S274 T275 P278 | S274-R280 CarbonylContact C-O 3.55Å; S274-R280 VanDerWaalsContact CA-O 3.29Å; S274-R280 WeakPolarHBondContact CA-O 3.36Å; T275-R280 PolarHBondContact N-O 3.37Å; T275-R280 PolarHBondContact OG1-N 3.44Å; T275-R280 PolarHBondContact OG1-O 3.42Å; P278-R280 PolarHBondContact O-N 2.94Å | ||
| 281 | P | 87.4 | Confident | 83.6 | Confident | 99 Ų | 99 | 69 Ų | 69 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | B | Isolated β-bridge | trans | -67.7 | 136.5 | 171.8 | 29 | -33 | 0 | 0 | 0 | 109.5 | L273 A283 | L273-P281 CarbonylContact O-C 3.54Å; L273-P281 WeakPolarHBondContact O-CA 3.36Å; P281-A283 PolarHBondContact O-N 2.83Å |
| 282 | L | 85.8 | Confident | 83.5 | Confident | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.084 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 121.3 | 172.1 | -59.2 | -170.3 | 0 | 0 | 0 | 108.2 | L257 F258 L273 T275 I293 I295 L301 | L257-L282 HydrophobicContact CD1-CD1 4.19Å; F258-L282 HydrophobicContact CZ-CB 4.16Å; L273-L282 HydrophobicContact CB-CB 4.26Å; L273-L282 HydrophobicContact CB-CD1 3.87Å; L273-L282 HydrophobicContact CB-CG 4.12Å; L273-L282 HydrophobicContact CD1-CD1 4.43Å; L273-L282 WeakPolarHBondContact O-CB 3.44Å; L273-L282 PolarHBondContact O-N 2.9Å; T275-L282 HydrophobicContact CG2-CD2 3.92Å; L282-I293 HydrophobicContact CD2-CG2 3.59Å; L282-I295 HydrophobicContact CD1-CD1 4.34Å; L282-L301 HydrophobicContact CD1-CD1 3.91Å; L282-L301 HydrophobicContact CD1-CD2 3.95Å |
| 283 | A | 76.9 | Confident | 83.2 | Confident | 56 Ų | 56 | 72 Ų | 72 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 134.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | P281 E285 | P281-A283 PolarHBondContact O-N 2.83Å; A283-E285 HydrophobicContact CB-CB 4.26Å; A283-E285 PolarHBondContact O-N 2.92Å |
| 284 | V | 68.6 | Low | 82.8 | Confident | 94 Ų | 94 | 74.2 Ų | 74.2 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | trans | -77.8 | 51.4 | 167.9 | -166.6 | 0 | 0 | 0 | 0 | 108.2 | F258 G286 | F258-V284 HydrophobicContact CD1-CG2 4.38Å; F258-V284 HydrophobicContact CD2-CG1 4.44Å; F258-V284 HydrophobicContact CE1-CG2 3.83Å; F258-V284 HydrophobicContact CE2-CB 4.41Å; F258-V284 HydrophobicContact CE2-CG1 4.42Å; F258-V284 HydrophobicContact CE2-CG2 4.06Å; F258-V284 HydrophobicContact CZ-CB 4.44Å; F258-V284 HydrophobicContact CZ-CG2 3.65Å; V284-G286 PolarHBondContact O-N 2.94Å | ||
| 285 | E | 67.7 | Low | 82.6 | Confident | 120 Ų | 120 | 74.2 Ų | 74.2 | 56% | 0.561 | 42% | 0.417 | S | S | * | . | trans | -88.3 | 108.9 | 175.8 | -141 | 174.4 | -172 | 0 | 0 | 106.8 | A283 G287 Q288 | A283-E285 HydrophobicContact CB-CB 4.26Å; A283-E285 PolarHBondContact O-N 2.92Å; E285-G287 PolarHBondContact O-N 3.45Å; E285-Q288 PolarHBondContact OE2-NE2 2.92Å | ||
| 286 | G | 66.3 | Low | 82.4 | Confident | 55 Ų | 55 | 76.4 Ų | 76.4 | 57% | 0.567 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 127.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V284 | V284-G286 PolarHBondContact O-N 2.94Š|
| 287 | G | 69.1 | Low | 82.5 | Confident | 60 Ų | 60 | 78.4 Ų | 78.4 | 62% | 0.619 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.4 | -0.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | E285 | E285-G287 PolarHBondContact O-N 3.45Š|
| 288 | Q | 82.1 | Confident | 83 | Confident | 65 Ų | 65 | 74.7 Ų | 74.7 | 30% | 0.304 | 43% | 0.429 | S | S | . | . | trans | -76.1 | 137.9 | 169.4 | -71.5 | 174.5 | 18.2 | 0 | 0 | 110.6 | S254 E285 D292 I293 | S254-Q288 WeakPolarHBondContact CB-O 3.28Å; S254-Q288 PolarHBondContact N-O 3.34Å; S254-Q288 PolarHBondContact OG-O 3.48Å; E285-Q288 PolarHBondContact OE2-NE2 2.92Å; Q288-D292 HydrophobicContact CB-CB 4.3Å; Q288-I293 HydrophobicContact CB-CD1 3.88Å; Q288-I293 HydrophobicContact CB-CG1 3.84Å | ||
| 289 | S | 89.6 | Confident | 83.2 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 10% | 0.098 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -74.2 | 165.3 | 174.3 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | Y252 E291 D292 I293 | Y252-S289 CarbonylContact O-C 3.57Å; Y252-S289 VanDerWaalsContact O-CA 3.3Å; Y252-S289 WeakPolarHBondContact O-CA 3.44Å; S289-E291 PolarHBondContact O-N 3.09Å; S289-E291 WeakPolarHBondContact OG-CG 3.42Å; S289-D292 WeakPolarHBondContact CB-OD2 3.34Å; S289-D292 PolarHBondContact N-OD2 3.35Å; S289-D292 VanDerWaalsContact N-OD2 3.12Å; S289-D292 PolarHBondContact O-N 3.25Å; S289-D292 PolarHBondContact OG-N 3.4Å; S289-D292 PolarHBondContact OG-OD2 2.88Å; S289-I293 WeakPolarHBondContact O-CG1 3.26Å; S289-I293 PolarHBondContact O-N 3.28Å |
| 290 | L | 88.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.7 | 176 | -67.8 | -176.1 | 0 | 0 | 0 | 111.8 | V232 F248 L249 K250 Y252 L257 I293 G294 I295 | V232-L290 HydrophobicContact CG2-CD1 4.17Å; F248-L290 HydrophobicContact CB-CD1 3.53Å; F248-L290 HydrophobicContact CG-CD1 4.26Å; L249-L290 WeakPolarHBondContact O-CD1 3.4Å; K250-L290 PolarHBondContact O-N 3.28Å; Y252-L290 PolarHBondContact O-N 2.63Å; L257-L290 HydrophobicContact CD1-CD2 3.43Å; L257-L290 VanDerWaalsContact CD1-CD2 3.43Å; L257-L290 HydrophobicContact CD2-CD2 4.34Å; L257-L290 HydrophobicContact CG-CD2 3.77Å; L290-I293 PolarHBondContact O-N 2.91Å; L290-G294 PolarHBondContact O-N 3.49Å; L290-I295 HydrophobicContact CB-CB 4.2Å; L290-I295 HydrophobicContact CD2-CD1 3.97Å; L290-I295 WeakPolarHBondContact O-CA 3.47Å; L290-I295 VanDerWaalsContact O-CB 3.29Å; L290-I295 WeakPolarHBondContact O-CB 3.43Å; L290-I295 PolarHBondContact O-N 2.85Å |
| 291 | E | 87.8 | Confident | 83.7 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 47% | 0.467 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -40.5 | 175.5 | 57.1 | -178.4 | -166.2 | 0 | 0 | 112.8 | K250 S289 I293 G294 T296 | K250-E291 HydrophobicContact CB-CB 4.43Å; K250-E291 PolarHBondContact O-N 3.07Å; S289-E291 PolarHBondContact O-N 3.09Å; S289-E291 WeakPolarHBondContact OG-CG 3.42Å; E291-I293 PolarHBondContact O-N 2.87Å; E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3.49Å; E291-T296 HydrophobicContact CB-CG2 4.39Å |
| 292 | D | 87.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 59% | 0.594 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -32 | 179.1 | -65.3 | -39.4 | 0 | 0 | 0 | 112.2 | Q288 S289 G294 | Q288-D292 HydrophobicContact CB-CB 4.3Å; S289-D292 WeakPolarHBondContact CB-OD2 3.34Å; S289-D292 PolarHBondContact N-OD2 3.35Å; S289-D292 VanDerWaalsContact N-OD2 3.12Å; S289-D292 PolarHBondContact O-N 3.25Å; S289-D292 PolarHBondContact OG-N 3.4Å; S289-D292 PolarHBondContact OG-OD2 2.88Å; D292-G294 PolarHBondContact O-N 3.22Å |
| 293 | I | 85.6 | Confident | 84.3 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.4 | 178.9 | -64.3 | 175.7 | 0 | 0 | 0 | 111.9 | L282 Q288 S289 L290 E291 I295 | L282-I293 HydrophobicContact CD2-CG2 3.59Å; Q288-I293 HydrophobicContact CB-CD1 3.88Å; Q288-I293 HydrophobicContact CB-CG1 3.84Å; S289-I293 WeakPolarHBondContact O-CG1 3.26Å; S289-I293 PolarHBondContact O-N 3.28Å; L290-I293 PolarHBondContact O-N 2.91Å; E291-I293 PolarHBondContact O-N 2.87Å; I293-I295 HydrophobicContact CG2-CD1 4.48Å |
| 294 | G | 84.4 | Confident | 84.9 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 16.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L290 E291 D292 T296 | L290-G294 PolarHBondContact O-N 3.49Å; E291-G294 WeakPolarHBondContact O-CA 3.46Å; E291-G294 PolarHBondContact O-N 3.49Å; D292-G294 PolarHBondContact O-N 3.22Å; G294-T296 VanDerWaalsContact C-N 3.27Å; G294-T296 PolarHBondContact O-N 2.99Å |
| 295 | I | 86.7 | Confident | 86 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | trans | -90.5 | 66.2 | 172.6 | -53.5 | 172.5 | 0 | 0 | 0 | 108.2 | V232 V234 L257 L282 L290 I293 L301 | V232-I295 HydrophobicContact CG2-CG2 4.24Å; V234-I295 HydrophobicContact CG2-CG2 4.06Å; L257-I295 HydrophobicContact CD1-CD1 3.69Å; L282-I295 HydrophobicContact CD1-CD1 4.34Å; L290-I295 HydrophobicContact CB-CB 4.2Å; L290-I295 HydrophobicContact CD2-CD1 3.97Å; L290-I295 WeakPolarHBondContact O-CA 3.47Å; L290-I295 VanDerWaalsContact O-CB 3.29Å; L290-I295 WeakPolarHBondContact O-CB 3.43Å; L290-I295 PolarHBondContact O-N 2.85Å; I293-I295 HydrophobicContact CG2-CD1 4.48Å; I295-L301 HydrophobicContact CD1-CD1 4.4Å | ||
| 296 | T | 87.7 | Confident | 87 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 45% | 0.454 | 34% | 0.338 | S | S | . | . | trans | -90.4 | -20 | -179.7 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | K250 E291 G294 | K250-T296 VanDerWaalsContact CE-O 3.28Å; K250-T296 WeakPolarHBondContact CE-O 3.26Å; E291-T296 HydrophobicContact CB-CG2 4.39Å; G294-T296 VanDerWaalsContact C-N 3.27Å; G294-T296 PolarHBondContact O-N 2.99Å | ||
| 297 | V | 88.9 | Confident | 87.6 | Confident | 95 Ų | 95 | 63.4 Ų | 63.4 | 58% | 0.576 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -127.3 | 171.9 | -179.4 | -62.4 | 0 | 0 | 0 | 0 | 110.4 | T299 | V297-T299 PolarHBondContact O-N 3.25Å; V297-T299 PolarHBondContact O-OG1 3.21Å |
| 298 | D | 90.6 | Very high | 87.7 | Confident | 110 Ų | 110 | 68.1 Ų | 68.1 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -53.4 | 111.9 | 171 | -74.5 | -4.5 | 0 | 0 | 0 | 110.3 | T233 | T233-D298 WeakPolarHBondContact CA-OD1 3.34Å; T233-D298 VanDerWaalsContact CB-OD1 3.25Å; T233-D298 WeakPolarHBondContact CB-OD1 3.32Å; T233-D298 PolarHBondContact N-OD1 2.8Å; T233-D298 VanDerWaalsContact O-CA 3.3Å; T233-D298 WeakPolarHBondContact O-CA 3.15Å; T233-D298 PolarHBondContact OG1-OD1 3.39Å |
| 299 | T | 90.7 | Very high | 86.6 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 13% | 0.129 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 143.1 | -167.5 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | T233 V234 A235 V297 L301 | T233-T299 PolarHBondContact O-N 3.37Å; T233-T299 VanDerWaalsContact O-N 3.11Å; V234-T299 WeakPolarHBondContact CA-O 3.34Å; A235-T299 PolarHBondContact N-O 2.99Å; V297-T299 PolarHBondContact O-N 3.25Å; V297-T299 PolarHBondContact O-OG1 3.21Å; T299-L301 HydrophobicContact CG2-CD2 4.11Å |
| 300 | V | 92.5 | Very high | 84.2 | Confident | 46 Ų | 46 | 82 Ų | 82 | 28% | 0.279 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120 | 173.5 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | A235 R237 S276 | A235-V300 HydrophobicContact CB-CG2 4.26Å; A235-V300 CarbonylContact O-C 3.51Å; A235-V300 WeakPolarHBondContact O-CA 3.45Å; R237-V300 HydrophobicContact CG-CG1 3.9Å; S276-V300 PolarHBondContact N-O 2.9Å |
| 301 | L | 93.2 | Very high | 84 | Confident | 1 Ų | 1 | 86 Ų | 86 | 1% | 0.005 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 143.3 | 172.3 | -59.6 | -178.3 | 0 | 0 | 0 | 109.9 | V234 A235 L236 R237 L257 L273 S274 T275 L282 I295 T299 | V234-L301 HydrophobicContact CG1-CB 4.5Å; V234-L301 HydrophobicContact CG1-CD1 3.55Å; V234-L301 HydrophobicContact CG1-CG 3.84Å; A235-L301 PolarHBondContact O-N 2.89Å; L236-L301 CarbonylContact C-O 3.5Å; L236-L301 WeakPolarHBondContact CA-O 3.27Å; L236-L301 HydrophobicContact CD1-CB 4.11Å; R237-L301 PolarHBondContact N-O 3.43Å; L257-L301 HydrophobicContact CD1-CD1 3.82Å; L257-L301 HydrophobicContact CD2-CD1 4.48Å; L273-L301 HydrophobicContact CD1-CD1 4.42Å; S274-L301 CarbonylContact O-C 3.49Å; S274-L301 WeakPolarHBondContact O-CA 3.38Å; T275-L301 HydrophobicContact CG2-CD2 4.27Å; L282-L301 HydrophobicContact CD1-CD1 3.91Å; L282-L301 HydrophobicContact CD1-CD2 3.95Å; I295-L301 HydrophobicContact CD1-CD1 4.4Å; T299-L301 HydrophobicContact CG2-CD2 4.11Å |
| 302 | I | 93.4 | Very high | 83.8 | Confident | 36 Ų | 36 | 85.3 Ų | 85.3 | 19% | 0.185 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 129.6 | 179.1 | -55.3 | 177.2 | 0 | 0 | 0 | 107.2 | S274 E304 | S274-I302 PolarHBondContact N-O 2.7Å; S274-I302 PolarHBondContact O-N 3.35Å; I302-E304 HydrophobicContact CB-CG 4.47Å; I302-E304 HydrophobicContact CG2-CG 3.8Å |
| 303 | L | 92.6 | Very high | 83.6 | Confident | 6 Ų | 6 | 83.8 Ų | 83.8 | 3% | 0.031 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 111.1 | 176.3 | -169 | 144.2 | 0 | 0 | 0 | 108.6 | L236 R237 P239 M261 Y266 Y271 | L236-L303 HydrophobicContact CD1-CB 4.12Å; L236-L303 HydrophobicContact CD1-CD1 4.27Å; L236-L303 HydrophobicContact CD2-CD1 3.95Å; L236-L303 HydrophobicContact CG-CD1 4.35Å; R237-L303 WeakPolarHBondContact O-CB 3.35Å; R237-L303 PolarHBondContact O-N 2.83Å; P239-L303 HydrophobicContact CG-CD2 3.65Å; P239-L303 WeakPolarHBondContact CG-O 3.38Å; M261-L303 HydrophobicContact CE-CB 4.48Å; M261-L303 HydrophobicContact CE-CD1 3.35Å; M261-L303 HydrophobicContact CE-CD2 4.27Å; M261-L303 HydrophobicContact CE-CG 3.4Å; M261-L303 VanDerWaalsContact CE-CG 3.4Å; M261-L303 HydrophobicContact CG-CD1 3.76Å; M261-L303 HydrophobicContact SD-CD1 4.44Å; Y266-L303 HydrophobicContact CD1-CD1 4.28Å; Y266-L303 HydrophobicContact CD1-CD2 3.53Å; Y266-L303 HydrophobicContact CD2-CD1 3.65Å; Y266-L303 HydrophobicContact CD2-CD2 4.3Å; Y266-L303 HydrophobicContact CE1-CD2 3.85Å; Y266-L303 HydrophobicContact CE2-CD1 4.27Å; Y266-L303 HydrophobicContact CG-CD1 3.66Å; Y266-L303 HydrophobicContact CG-CD2 3.79Å; Y266-L303 HydrophobicContact CG-CG 4.4Å; Y271-L303 HydrophobicContact CD1-CD2 3.38Å; Y271-L303 HydrophobicContact CE1-CD2 4.04Å; Y271-L303 HydrophobicContact CG-CD2 3.69Å |
| 304 | E | 91 | Very high | 83.5 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 29% | 0.285 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.6 | -173.9 | -63.6 | -175.4 | 152.1 | 0 | 0 | 110.2 | Y271 S272 S274 I302 | Y271-E304 CarbonylContact C-O 3.59Å; Y271-E304 VanDerWaalsContact CA-O 3.22Å; Y271-E304 WeakPolarHBondContact CA-O 3.37Å; S272-E304 PolarHBondContact N-O 2.66Å; S272-E304 PolarHBondContact O-N 3.47Å; S274-E304 VanDerWaalsContact CB-OE2 3.28Å; S274-E304 WeakPolarHBondContact CB-OE2 3.22Å; S274-E304 PolarHBondContact OG-OE2 3.36Å; I302-E304 HydrophobicContact CB-CG 4.47Å; I302-E304 HydrophobicContact CG2-CG 3.8Å |
| 305 | E | 90.8 | Very high | 83.5 | Confident | 149 Ų | 149 | 89 Ų | 89 | 70% | 0.696 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129.4 | 173.5 | -171.6 | 170.8 | -178.2 | 0 | 0 | 109.2 | Y271 E307 | Y271-E305 HydrophobicContact CD1-CB 4.29Å; Y271-E305 HydrophobicContact CE1-CB 4.16Å; Y271-E305 HydrophobicContact CE1-CG 4.42Å; E305-E307 PolarHBondContact O-N 3.1Å |
| 306 | K | 88.3 | Confident | 83.3 | Confident | 120 Ų | 120 | 94.8 Ų | 94.8 | 52% | 0.522 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 122 | 179.5 | -171.5 | 178.3 | -179.4 | 178.5 | 0 | 108.4 | L270 Q308 | L270-K306 PolarHBondContact O-N 3.05Å; K306-Q308 PolarHBondContact O-N 3.24Å |
| 307 | E | 78.9 | Confident | 82.9 | Confident | 175 Ų | 175 | 96.3 Ų | 96.3 | 82% | 0.818 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 118.9 | 171.6 | -65.3 | -173.3 | 172.9 | 0 | 0 | 109 | E305 T309 | E305-E307 PolarHBondContact O-N 3.1Å; E307-T309 PolarHBondContact O-N 3.35Å; E307-T309 VanDerWaalsContact O-N 3.08Å |
| 308 | Q | 72.1 | Confident | 82.5 | Confident | 159 Ų | 159 | 96.4 Ų | 96.4 | 74% | 0.743 | 49% | 0.49 | S | S | * | . | trans | -71.3 | 103.2 | 172.3 | -76.9 | 167.3 | 9.2 | 0 | 0 | 107.6 | K306 N310 | K306-Q308 PolarHBondContact O-N 3.24Å; Q308-N310 PolarHBondContact O-N 3.1Å; Q308-N310 VanDerWaalsContact O-N 3.1Å | ||
| 309 | T | 57.5 | Low | 81.8 | Confident | 139 Ų | 139 | 95.3 Ų | 95.3 | 85% | 0.853 | 48% | 0.481 | S | S | * | . | trans | -62.1 | 109.8 | 167.4 | 49.4 | 0 | 0 | 0 | 0 | 107.9 | E307 | E307-T309 PolarHBondContact O-N 3.35Å; E307-T309 VanDerWaalsContact O-N 3.08Å | ||
| 310 | N | 40.6 | Very low | 81 | Confident | 230 Ų | 230 | 102 Ų | 102 | 100% | 1.23 | 51% | 0.513 | S | S | * | . | trans | -82.6 | 0 | 171.9 | -162.1 | -10.2 | 0 | 0 | 0 | 109.4 | Q308 | Q308-N310 PolarHBondContact O-N 3.1Å; Q308-N310 VanDerWaalsContact O-N 3.1Å |
Retrieved 310 of 310 residues in 103.9 ms
(Link to these results)