| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 33.6 | Very low | 243 Ų | 243 | 147 Ų | 147 | 100% | 1.197 | 88% | 0.882 | S | S | * | * | 0 | 121.1 | 0 | -70.4 | 170.6 | 170.6 | 0 | 0 | 106.7 | |||||
| 2 | K | 32 | Very low | 33.4 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 90% | 0.9 | 88% | 0.884 | S | S | * | * | cis | -143.8 | 147.7 | 9.9 | -91.9 | 169.1 | 169.1 | 173.8 | 0 | 106.9 | ||||
| 3 | M | 30 | Very low | 33.8 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 95% | 0.951 | 88% | 0.875 | S | S | * | * | trans | -70.1 | 149.8 | 166.5 | -68.5 | -177.2 | 161.1 | 0 | 0 | 111 | ||||
| 4 | A | 33.5 | Very low | 33.6 | Very low | 108 Ų | 108 | 158.6 Ų | 158.6 | 89% | 0.893 | 88% | 0.879 | S | S | * | * | trans | -149 | 119.2 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 5 | S | 30 | Very low | 33.8 | Very low | 114 Ų | 114 | 156.4 Ų | 156.4 | 80% | 0.797 | 88% | 0.875 | S | S | * | * | trans | -107.2 | 131.8 | 176.6 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | I | 33.8 | Very low | 33.6 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 89% | 0.887 | 86% | 0.864 | S | S | * | * | trans | -144.7 | 127.6 | 157.5 | -59.8 | -175.7 | 0 | 0 | 0 | 108.6 | ||||
| 7 | A | 35.5 | Very low | 33.4 | Very low | 82 Ų | 82 | 150.4 Ų | 150.4 | 68% | 0.678 | 86% | 0.857 | S | S | * | * | trans | -85.2 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 8 | P | 38.8 | Very low | 33.1 | Very low | 128 Ų | 128 | 154.9 Ų | 154.9 | 83% | 0.831 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 155 | -151 | 38 | -35.8 | 0 | 0 | 0 | 115.6 | ||
| 9 | S | 32.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 154 Ų | 154 | 87% | 0.874 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -94 | 116.4 | 176.5 | -44.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 10 | A | 31 | Very low | 32.7 | Very low | 99 Ų | 99 | 154.2 Ų | 154.2 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 135.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 11 | V | 35.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 152.7 Ų | 152.7 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | trans | -132.7 | 120.7 | 163.6 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 12 | R | 31.4 | Very low | 32.1 | Very low | 239 Ų | 239 | 151.2 Ų | 151.2 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -85.9 | 167.3 | 177.4 | -94.1 | -171.3 | -163.8 | -140.2 | 5.5 | 112 | ||||
| 13 | P | 39.1 | Very low | 32 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -93.4 | 169 | -156.9 | 37.5 | -34.2 | 0 | 0 | 0 | 114.1 | ||||
| 14 | R | 30.5 | Very low | 31.9 | Very low | 245 Ų | 245 | 147.8 Ų | 147.8 | 93% | 0.925 | 82% | 0.82 | S | S | * | * | trans | -133.5 | 154.5 | 167.3 | -84.7 | -166.3 | -174.8 | -137.1 | 2.8 | 112.8 | ||||
| 15 | P | 36.2 | Very low | 31.8 | Very low | 126 Ų | 126 | 147.6 Ų | 147.6 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -100.2 | 172.6 | -152.1 | 38.8 | -30.7 | 0 | 0 | 0 | 114.2 | ||||
| 16 | G | 31.3 | Very low | 31.8 | Very low | 68 Ų | 68 | 151.5 Ų | 151.5 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -94.5 | -146.4 | -165.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 17 | L | 29.6 | Very low | 31.8 | Very low | 142 Ų | 142 | 150.9 Ų | 150.9 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | 81.9 | 127.7 | -167.3 | -77.5 | 76.1 | 0 | 0 | 0 | 113.1 | ||||
| 18 | W | 28.8 | Very low | 31.5 | Very low | 232 Ų | 232 | 151.9 Ų | 151.9 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | -148 | 151.6 | 53 | -80.3 | 77 | 0 | 0 | 0 | 114.5 | |||||
| 19 | L | 28.3 | Very low | 31.3 | Very low | 138 Ų | 138 | 156.9 Ų | 156.9 | 72% | 0.723 | 82% | 0.82 | S | S | * | * | trans | -62.2 | 160.3 | 175.6 | -69.8 | 76.9 | 0 | 0 | 0 | 113.3 | ||||
| 20 | L | 30 | Very low | 31.4 | Very low | 158 Ų | 158 | 157.6 Ų | 157.6 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | -165 | 104.4 | 111.7 | -114.9 | 96.7 | 0 | 0 | 0 | 110.9 | |||||
| 21 | C | 29.7 | Very low | 31.8 | Very low | 123 Ų | 123 | 159.2 Ų | 159.2 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -96.4 | 124.4 | 158.8 | -179.8 | 0 | 0 | 0 | 0 | 107.1 | R23 | C21-R23 PolarHBondContact O-N 3.1Š| ||
| 22 | W | 27.6 | Very low | 32 | Very low | 211 Ų | 211 | 160.4 Ų | 160.4 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -88.3 | 97.2 | 175.6 | -130.1 | 30 | 0 | 0 | 0 | 109.6 | ||||
| 23 | R | 29.9 | Very low | 32.3 | Very low | 195 Ų | 195 | 158.5 Ų | 158.5 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | 72.3 | 97 | 123 | -147.3 | 164.7 | 176.3 | -172.9 | -2 | 117.5 | C21 | C21-R23 PolarHBondContact O-N 3.1Š| |||
| 24 | C | 27.6 | Very low | 32 | Very low | 134 Ų | 134 | 161 Ų | 161 | 91% | 0.905 | 82% | 0.819 | S | S | * | * | -143.9 | 121.6 | 117.4 | -152.4 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 25 | S | 31.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 156.5 Ų | 156.5 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | trans | -77.4 | 130.7 | -176.1 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 26 | M | 29.7 | Very low | 32.6 | Very low | 196 Ų | 196 | 155.1 Ų | 155.1 | 97% | 0.966 | 82% | 0.817 | S | S | * | * | -157.5 | 119.6 | 127.9 | -111.2 | -180 | -173.9 | 0 | 0 | 109.5 | |||||
| 27 | I | 33.6 | Very low | 32.8 | Very low | 160 Ų | 160 | 156.6 Ų | 156.6 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -90.4 | 123.5 | 174 | -70 | 162.3 | 0 | 0 | 0 | 106.8 | ||||
| 28 | C | 28.2 | Very low | 32.9 | Very low | 104 Ų | 104 | 158.6 Ų | 158.6 | 70% | 0.703 | 83% | 0.83 | S | S | * | * | trans | 172 | 124.3 | 133.1 | -98.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 29 | R | 34.7 | Very low | 33.4 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 88% | 0.875 | 83% | 0.828 | S | S | * | * | trans | 59.9 | 134.8 | 139 | -68 | 179.5 | 179.7 | -134.2 | -0.6 | 121.4 | ||||
| 30 | D | 35.1 | Very low | 33.9 | Very low | 140 Ų | 140 | 155.6 Ų | 155.6 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | 86.9 | 114.3 | 162.9 | -72.3 | -40.5 | 0 | 0 | 0 | 120.4 | M32 | D30-M32 VanDerWaalsContact C-N 3.27Å; D30-M32 PolarHBondContact O-N 3.19Å | ||
| 31 | P | 39.8 | Very low | 34.5 | Very low | 133 Ų | 133 | 154.1 Ų | 154.1 | 86% | 0.864 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -87.9 | 27.2 | 173 | 37.1 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 32 | M | 40 | Very low | 34.9 | Very low | 170 Ų | 170 | 153.9 Ų | 153.9 | 84% | 0.837 | 82% | 0.824 | S | S | * | * | trans | -116.2 | 21.6 | -172.5 | -92.3 | -105.1 | 161.6 | 0 | 0 | 114.9 | D30 | D30-M32 VanDerWaalsContact C-N 3.27Å; D30-M32 PolarHBondContact O-N 3.19Å | ||
| 33 | K | 36.5 | Very low | 35.8 | Very low | 199 Ų | 199 | 152.9 Ų | 152.9 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | trans | -142.1 | 69.5 | 173.2 | -70.1 | -173.4 | -179.1 | 173.3 | 0 | 112.6 | ||||
| 34 | L | 33.5 | Very low | 36.4 | Very low | 173 Ų | 173 | 148 Ų | 148 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -138.2 | 43.3 | 155.5 | -151.1 | 79.6 | 0 | 0 | 0 | 110.7 | ||||
| 35 | V | 39.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 149.8 Ų | 149.8 | 90% | 0.903 | 82% | 0.82 | S | S | * | * | trans | -127.6 | 68 | 166.1 | -174.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 36 | A | 39.3 | Very low | 38.6 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -171.7 | 97.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 37 | A | 36.5 | Very low | 40.4 | Very low | 98 Ų | 98 | 145 Ų | 145 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | 154.4 | 90 | 139.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 38 | M | 30.8 | Very low | 42.7 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -178.5 | 74.3 | 133.6 | -99.3 | -179.9 | 152.7 | 0 | 0 | 107.9 | Q40 | M38-Q40 PolarHBondContact O-N 3.2Š| ||
| 39 | T | 38.8 | Very low | 45.5 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -71.3 | 98 | 159.1 | 38.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 40 | Q | 39.3 | Very low | 48 | Very low | 174 Ų | 174 | 136.8 Ų | 136.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | trans | -118.4 | 97.7 | 146.1 | -76.7 | -176.1 | 14.6 | 0 | 0 | 106.8 | M38 V42 | M38-Q40 PolarHBondContact O-N 3.2Å; Q40-V42 PolarHBondContact O-N 3.09Å; Q40-V42 VanDerWaalsContact O-N 3.17Å | ||
| 41 | T | 41.8 | Very low | 50.6 | Low | 126 Ų | 126 | 134.6 Ų | 134.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -66.3 | 103.1 | 171.3 | 42.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 42 | V | 39.2 | Very low | 53.1 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | trans | -97.6 | 105.9 | 154.9 | -178.4 | 0 | 0 | 0 | 0 | 105.8 | Q40 T44 | Q40-V42 PolarHBondContact O-N 3.09Å; Q40-V42 VanDerWaalsContact O-N 3.17Å; V42-T44 HydrophobicContact CG1-CG2 4.12Å; V42-T44 PolarHBondContact O-N 3.26Å | ||
| 43 | Q | 45.7 | Very low | 55.6 | Low | 190 Ų | 190 | 129.1 Ų | 129.1 | 89% | 0.888 | 74% | 0.743 | S | S | * | * | trans | -67.1 | 102.1 | 171.8 | -72.7 | 177.4 | -20.7 | 0 | 0 | 108.3 | ||||
| 44 | T | 42.9 | Very low | 58.4 | Low | 91 Ų | 91 | 128.8 Ų | 128.8 | 56% | 0.558 | 74% | 0.737 | S | S | * | * | trans | -114.1 | 121.2 | 158.2 | 60.2 | 0 | 0 | 0 | 0 | 107.1 | V42 G46 | V42-T44 HydrophobicContact CG1-CG2 4.12Å; V42-T44 PolarHBondContact O-N 3.26Å; T44-G46 PolarHBondContact O-N 3.36Å; T44-G46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | N | 45.8 | Very low | 61.3 | Low | 172 Ų | 172 | 126.1 Ų | 126.1 | 92% | 0.92 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -43.8 | 118.2 | 178.2 | -73.4 | -27.5 | 0 | 0 | 0 | 111.6 | ||
| 46 | G | 59.8 | Low | 64 | Low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 95.8 | -4.1 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | T44 Q48 | T44-G46 PolarHBondContact O-N 3.36Å; T44-G46 VanDerWaalsContact O-N 3.13Å; G46-Q48 PolarHBondContact O-N 2.89Å |
| 47 | V | 67.6 | Low | 66.6 | Low | 119 Ų | 119 | 121.5 Ų | 121.5 | 72% | 0.721 | 68% | 0.68 | S | S | * | * | trans | -89.9 | 112.2 | 179.1 | -173.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 48 | Q | 80.8 | Confident | 69.5 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 57% | 0.565 | 68% | 0.679 | S | S | * | * | trans | -65.6 | 155.7 | 176.1 | -64 | -161.1 | -5.3 | 0 | 0 | 111.6 | G46 K52 | G46-Q48 PolarHBondContact O-N 2.89Å; Q48-K52 HydrophobicContact CB-CB 4.41Å; Q48-K52 HydrophobicContact CB-CG 4.49Å | ||
| 49 | S | 88.9 | Confident | 72.6 | Confident | 70 Ų | 70 | 121.8 Ų | 121.8 | 49% | 0.49 | 66% | 0.662 | S | S | . | * | trans | -61.3 | 148.5 | 176.7 | 63.5 | 0 | 0 | 0 | 0 | 110.9 | S51 K52 T53 | S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.44Å; S49-S51 VanDerWaalsContact OG-OG 3.07Å; S49-K52 WeakPolarHBondContact O-CA 3.22Å; S49-K52 WeakPolarHBondContact O-CB 3.43Å; S49-K52 PolarHBondContact O-N 3.14Å; S49-K52 WeakPolarHBondContact OG-CB 3.34Å; S49-K52 PolarHBondContact OG-N 3.25Å; S49-T53 PolarHBondContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.31Å | ||
| 50 | L | 86.9 | Confident | 75.4 | Confident | 132 Ų | 132 | 119.7 Ų | 119.7 | 69% | 0.691 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -54.4 | -38.8 | -179.9 | -170.8 | 73 | 0 | 0 | 0 | 112 | K52 T53 W54 | L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.18Å; L50-T53 PolarHBondContact O-N 2.98Å; L50-W54 PolarHBondContact O-N 3.27Å |
| 51 | S | 88.7 | Confident | 78.1 | Confident | 95 Ų | 95 | 117 Ų | 117 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -61.7 | -35.8 | 175.8 | 54.4 | 0 | 0 | 0 | 0 | 112.9 | S49 E55 | S49-S51 PolarHBondContact O-N 2.88Å; S49-S51 VanDerWaalsContact O-N 3.15Å; S49-S51 PolarHBondContact OG-OG 3.44Å; S49-S51 VanDerWaalsContact OG-OG 3.07Å; S51-E55 PolarHBondContact O-N 3.09Å |
| 52 | K | 92.3 | Very high | 80.7 | Confident | 104 Ų | 104 | 116.8 Ų | 116.8 | 45% | 0.452 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -79.2 | -38.6 | -179 | -172.2 | 67.5 | -171 | 169 | 0 | 111.9 | Q48 S49 L50 W54 E55 | Q48-K52 HydrophobicContact CB-CB 4.41Å; Q48-K52 HydrophobicContact CB-CG 4.49Å; S49-K52 WeakPolarHBondContact O-CA 3.22Å; S49-K52 WeakPolarHBondContact O-CB 3.43Å; S49-K52 PolarHBondContact O-N 3.14Å; S49-K52 WeakPolarHBondContact OG-CB 3.34Å; S49-K52 PolarHBondContact OG-N 3.25Å; L50-K52 VanDerWaalsContact C-N 3.28Å; L50-K52 PolarHBondContact O-N 3.18Å; K52-W54 PolarHBondContact O-N 3.14Å; K52-E55 VanDerWaalsContact CD-OE2 3.27Å; K52-E55 WeakPolarHBondContact CD-OE2 3.17Å; K52-E55 WeakPolarHBondContact CE-OE2 3.41Å; K52-E55 IonicContact NZ-OE2 2.66Å; K52-E55 PolarHBondContact NZ-OE2 3.31Å; K52-E55 PolarHBondContact O-N 3.1Å |
| 53 | T | 93.4 | Very high | 83.4 | Confident | 83 Ų | 83 | 118 Ų | 118 | 51% | 0.509 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60 | -33.8 | 177.9 | -57 | 0 | 0 | 0 | 0 | 113 | S49 L50 | S49-T53 PolarHBondContact O-N 3.07Å; S49-T53 PolarHBondContact O-OG1 3.31Å; L50-T53 PolarHBondContact O-N 2.98Å |
| 54 | W | 93.6 | Very high | 85.9 | Confident | 192 Ų | 192 | 113.8 Ų | 113.8 | 73% | 0.727 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 11.9 | -178.7 | -56.3 | 111.2 | 0 | 0 | 0 | 113.3 | L50 K52 L56 | L50-W54 PolarHBondContact O-N 3.27Å; K52-W54 PolarHBondContact O-N 3.14Å; W54-L56 PolarHBondContact O-N 3.46Å |
| 55 | E | 95 | Very high | 88.5 | Confident | 117 Ų | 117 | 114.2 Ų | 114.2 | 55% | 0.547 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 119.4 | 174.2 | -173.7 | 178.4 | -153.8 | 0 | 0 | 109.4 | S51 K52 | S51-E55 PolarHBondContact O-N 3.09Å; K52-E55 VanDerWaalsContact CD-OE2 3.27Å; K52-E55 WeakPolarHBondContact CD-OE2 3.17Å; K52-E55 WeakPolarHBondContact CE-OE2 3.41Å; K52-E55 IonicContact NZ-OE2 2.66Å; K52-E55 PolarHBondContact NZ-OE2 3.31Å; K52-E55 PolarHBondContact O-N 3.1Å |
| 56 | L | 96 | Very high | 90.8 | Very high | 99 Ų | 99 | 113.1 Ų | 113.1 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 132.4 | 177.9 | -59.2 | -179.8 | 0 | 0 | 0 | 110.3 | W54 E60 L61 | W54-L56 PolarHBondContact O-N 3.46Å; L56-E60 HydrophobicContact CB-CB 4.15Å; L56-E60 HydrophobicContact CD2-CB 4.2Å; L56-L61 HydrophobicContact CB-CD2 4.12Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 HydrophobicContact CD1-CD2 3.98Å |
| 57 | S | 95.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 117.3 Ų | 117.3 | 36% | 0.357 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 161.6 | 168.2 | 65.1 | 0 | 0 | 0 | 0 | 111.6 | Y59 E60 L61 | S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.4Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.04Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.22Å; S57-L61 PolarHBondContact O-N 3Å; S57-L61 VanDerWaalsContact O-N 3.09Å |
| 58 | L | 96.6 | Very high | 93.4 | Very high | 153 Ų | 153 | 115.4 Ų | 115.4 | 80% | 0.801 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -56.3 | -32.1 | 173.7 | -64.2 | -179.5 | 0 | 0 | 0 | 112.3 | L61 Q62 | L58-L61 HydrophobicContact CD2-CD1 4.34Å; L58-Q62 WeakPolarHBondContact O-CG 2.92Å |
| 59 | Y | 96.5 | Very high | 93.9 | Very high | 135 Ų | 135 | 115 Ų | 115 | 53% | 0.529 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.5 | -47.8 | 173.6 | 168.5 | -101 | 0 | 0 | 0 | 111.8 | S57 L61 Q62 R63 | S57-Y59 PolarHBondContact O-N 2.92Å; S57-Y59 VanDerWaalsContact O-N 3.16Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.09Å; Y59-Q62 VanDerWaalsContact CD2-NE2 3.29Å; Y59-Q62 PolarHBondContact O-N 3.28Å; Y59-Q62 VanDerWaalsContact O-N 3.12Å; Y59-Q62 PolarHBondContact O-NE2 3.3Å; Y59-R63 HydrophobicContact CE1-CB 4.21Å; Y59-R63 PolarHBondContact O-N 2.9Å |
| 60 | E | 96.9 | Very high | 93.9 | Very high | 90 Ų | 90 | 117.9 Ų | 117.9 | 42% | 0.421 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.4 | -27 | -178 | -71.6 | 160.7 | 128.7 | 0 | 0 | 113.3 | L56 S57 Q62 R63 | L56-E60 HydrophobicContact CB-CB 4.15Å; L56-E60 HydrophobicContact CD2-CB 4.2Å; S57-E60 VanDerWaalsContact CB-OE2 3.31Å; S57-E60 WeakPolarHBondContact CB-OE2 3.4Å; S57-E60 PolarHBondContact N-OE2 2.87Å; S57-E60 PolarHBondContact O-N 3.04Å; S57-E60 WeakPolarHBondContact OG-CG 3.21Å; S57-E60 PolarHBondContact OG-N 3.41Å; S57-E60 PolarHBondContact OG-OE2 3.22Å; E60-Q62 PolarHBondContact O-N 3.45Å; E60-R63 WeakPolarHBondContact O-CG 3.36Å |
| 61 | L | 96.7 | Very high | 93.7 | Very high | 119 Ų | 119 | 117.5 Ų | 117.5 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -64.6 | -26.3 | 174.3 | -73.2 | 171.5 | 0 | 0 | 0 | 113.4 | L56 S57 L58 Y59 | L56-L61 HydrophobicContact CB-CD2 4.12Å; L56-L61 HydrophobicContact CB-CG 4.16Å; L56-L61 HydrophobicContact CD1-CD2 3.98Å; S57-L61 PolarHBondContact O-N 3Å; S57-L61 VanDerWaalsContact O-N 3.09Å; L58-L61 HydrophobicContact CD2-CD1 4.34Å; Y59-L61 VanDerWaalsContact C-N 3.25Å; Y59-L61 PolarHBondContact O-N 3.09Å |
| 62 | Q | 96.1 | Very high | 93.3 | Very high | 121 Ų | 121 | 116.3 Ų | 116.3 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -120 | 3.3 | -175.7 | 63.5 | 74.2 | 64 | 0 | 0 | 114 | L58 Y59 E60 T64 | L58-Q62 WeakPolarHBondContact O-CG 2.92Å; Y59-Q62 VanDerWaalsContact CD2-NE2 3.29Å; Y59-Q62 PolarHBondContact O-N 3.28Å; Y59-Q62 VanDerWaalsContact O-N 3.12Å; Y59-Q62 PolarHBondContact O-NE2 3.3Å; E60-Q62 PolarHBondContact O-N 3.45Å; Q62-T64 PolarHBondContact O-N 3.24Å |
| 63 | R | 96.2 | Very high | 92.9 | Very high | 143 Ų | 143 | 116.4 Ų | 116.4 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | P | Polyproline II helix | trans | -62.7 | 137.4 | -176.8 | 68.5 | -175.2 | -78 | -108.5 | -2.4 | 111 | Y59 E60 | Y59-R63 HydrophobicContact CE1-CB 4.21Å; Y59-R63 PolarHBondContact O-N 2.9Å; E60-R63 WeakPolarHBondContact O-CG 3.36Å |
| 64 | T | 96.9 | Very high | 92.1 | Very high | 103 Ų | 103 | 121 Ų | 121 | 63% | 0.632 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 155 | 172.2 | 52.6 | 0 | 0 | 0 | 0 | 110.8 | Q62 | Q62-T64 PolarHBondContact O-N 3.24Š|
| 65 | P | 97.3 | Very high | 91.1 | Very high | 100 Ų | 100 | 118.4 Ų | 118.4 | 65% | 0.649 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 142.5 | 171.9 | -24.7 | 35 | 0 | 0 | 0 | 111.6 | ||
| 66 | Q | 94.1 | Very high | 89.6 | Confident | 149 Ų | 149 | 117.9 Ų | 117.9 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 116.6 | 168.9 | -68.4 | -66.3 | -29.7 | 0 | 0 | 107.5 | ||
| 67 | E | 94.1 | Very high | 88.3 | Confident | 168 Ų | 168 | 116.8 Ų | 116.8 | 79% | 0.785 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 138 | -179.9 | -65.8 | -61.9 | 149.4 | 0 | 0 | 110.4 | ||
| 68 | A | 89.6 | Confident | 87.2 | Confident | 78 Ų | 78 | 117.2 Ų | 117.2 | 65% | 0.645 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | T70 | A68-T70 PolarHBondContact O-N 3.24Š|
| 69 | I | 89.6 | Confident | 85.9 | Confident | 113 Ų | 113 | 112.8 Ų | 112.8 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.1 | 172.5 | -58.5 | 178.1 | 0 | 0 | 0 | 107.6 | D71 L73 | I69-D71 WeakPolarHBondContact CG2-OD1 3.33Å; I69-L73 HydrophobicContact CD1-CD2 4.22Å; I69-L73 HydrophobicContact CG2-CB 3.74Å; I69-L73 HydrophobicContact CG2-CD2 4Å; I69-L73 HydrophobicContact CG2-CG 4.49Å |
| 70 | T | 89.8 | Confident | 84.6 | Confident | 131 Ų | 131 | 114.5 Ų | 114.5 | 80% | 0.804 | 63% | 0.629 | S | S | * | * | trans | -121.2 | -4.8 | -176.2 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | A68 G72 | A68-T70 PolarHBondContact O-N 3.24Å; T70-G72 PolarHBondContact O-N 2.93Å; T70-G72 VanDerWaalsContact O-N 3.14Å | ||
| 71 | D | 82.6 | Confident | 83.9 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -82.8 | 22.7 | -171.2 | 52.5 | -43.4 | 0 | 0 | 0 | 114.3 | I69 L73 | I69-D71 WeakPolarHBondContact CG2-OD1 3.33Å; D71-L73 PolarHBondContact O-N 3.48Å; D71-L73 VanDerWaalsContact O-N 3.11Å |
| 72 | G | 79.4 | Confident | 83.2 | Confident | 70 Ų | 70 | 110.6 Ų | 110.6 | 72% | 0.722 | 62% | 0.617 | S | S | * | * | trans | 63.7 | 15.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T70 E74 | T70-G72 PolarHBondContact O-N 2.93Å; T70-G72 VanDerWaalsContact O-N 3.14Å; G72-E74 PolarHBondContact O-N 3.48Å; G72-E74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | L | 84.6 | Confident | 82.5 | Confident | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 61% | 0.612 | S | S | * | * | trans | -58.5 | 116.9 | 176.7 | -179.6 | 65.3 | 0 | 0 | 0 | 109.9 | I69 D71 I75 | I69-L73 HydrophobicContact CD1-CD2 4.22Å; I69-L73 HydrophobicContact CG2-CB 3.74Å; I69-L73 HydrophobicContact CG2-CD2 4Å; I69-L73 HydrophobicContact CG2-CG 4.49Å; D71-L73 PolarHBondContact O-N 3.48Å; D71-L73 VanDerWaalsContact O-N 3.11Å; L73-I75 PolarHBondContact O-N 3.27Å | ||
| 74 | E | 75.9 | Confident | 81.9 | Confident | 180 Ų | 180 | 106.7 Ų | 106.7 | 84% | 0.841 | 61% | 0.614 | S | S | * | * | trans | -76.9 | 118 | 176.7 | -65.8 | -170.2 | 162.1 | 0 | 0 | 109.9 | G72 A76 | G72-E74 PolarHBondContact O-N 3.48Å; G72-E74 VanDerWaalsContact O-N 3.15Å; E74-A76 PolarHBondContact O-N 3.08Å | ||
| 75 | I | 73.2 | Confident | 81.7 | Confident | 137 Ų | 137 | 106.9 Ų | 106.9 | 70% | 0.703 | 61% | 0.608 | S | S | * | * | trans | -81.7 | 99.3 | 175.4 | -49 | 179.9 | 0 | 0 | 0 | 108 | L73 V77 | L73-I75 PolarHBondContact O-N 3.27Å; I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 HydrophobicContact CB-CG2 4.46Å; I75-V77 HydrophobicContact CG2-CG2 3.38Å; I75-V77 PolarHBondContact O-N 3.46Å | ||
| 76 | A | 63.6 | Low | 81.4 | Confident | 106 Ų | 106 | 102.6 Ų | 102.6 | 88% | 0.876 | 58% | 0.579 | S | S | * | * | trans | -78.9 | 75.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | E74 | E74-A76 PolarHBondContact O-N 3.08Š| ||
| 77 | V | 69 | Low | 81.4 | Confident | 76 Ų | 76 | 97.8 Ų | 97.8 | 46% | 0.461 | 56% | 0.557 | S | S | . | * | trans | -97 | 127.9 | 166 | -149.5 | 0 | 0 | 0 | 0 | 108.3 | I75 P79 | I75-V77 VanDerWaalsContact C-N 3.3Å; I75-V77 HydrophobicContact CB-CG2 4.46Å; I75-V77 HydrophobicContact CG2-CG2 3.38Å; I75-V77 PolarHBondContact O-N 3.46Å; V77-P79 WeakPolarHBondContact O-CD 3.39Å | ||
| 78 | S | 72.3 | Confident | 81.5 | Confident | 61 Ų | 61 | 89.8 Ų | 89.8 | 43% | 0.427 | 52% | 0.52 | S | S | . | . | trans | -58.3 | 124.9 | 172.3 | 175.8 | 0 | 0 | 0 | 0 | 109 | R80 S81 | S78-R80 PolarHBondContact O-N 3.09Å; S78-S81 VanDerWaalsContact O-CB 3.31Å; S78-S81 WeakPolarHBondContact O-CB 3.42Å; S78-S81 PolarHBondContact O-N 3.03Å | ||
| 79 | P | 68.6 | Low | 81.8 | Confident | 60 Ų | 60 | 89.2 Ų | 89.2 | 39% | 0.39 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -55.6 | -27.3 | 179.2 | -27.6 | 35.1 | 0 | 0 | 0 | 113.2 | V77 S81 L82 Y151 | V77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-S81 PolarHBondContact O-N 3.13Å; P79-L82 PolarHBondContact O-N 3.13Å; P79-Y151 HydrophobicContact CB-CE1 3.8Å; P79-Y151 WeakPolarHBondContact CB-OH 3.49Å; P79-Y151 PolarHBondContact O-OH 3.25Å |
| 80 | R | 69.3 | Low | 82.1 | Confident | 171 Ų | 171 | 86.9 Ų | 86.9 | 65% | 0.645 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -64.5 | -27.7 | 176 | -61.3 | -178.2 | -166.1 | -88.3 | -4.5 | 113.2 | S78 L82 H83 | S78-R80 PolarHBondContact O-N 3.09Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-H83 WeakPolarHBondContact O-CB 3.46Å; R80-H83 PolarHBondContact O-N 3.5Å |
| 81 | S | 82.4 | Confident | 82.4 | Confident | 76 Ų | 76 | 83.3 Ų | 83.3 | 53% | 0.531 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -73.6 | -14.1 | 179 | -60.1 | 0 | 0 | 0 | 0 | 113.3 | S78 P79 | S78-S81 VanDerWaalsContact O-CB 3.31Å; S78-S81 WeakPolarHBondContact O-CB 3.42Å; S78-S81 PolarHBondContact O-N 3.03Å; P79-S81 PolarHBondContact O-N 3.13Å |
| 82 | L | 83.4 | Confident | 82.9 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 26% | 0.262 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -103.9 | 5.8 | 179 | -61.6 | 175.7 | 0 | 0 | 0 | 112.6 | P79 R80 E85 L86 I150 | P79-L82 PolarHBondContact O-N 3.13Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-E85 VanDerWaalsContact CA-OE2 3.24Å; L82-E85 WeakPolarHBondContact CA-OE2 3.39Å; L82-E85 PolarHBondContact O-N 2.93Å; L82-L86 HydrophobicContact CB-CD1 3.93Å; L82-L86 HydrophobicContact CB-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.08Å; L82-I150 HydrophobicContact CD1-CD1 4.22Å; L82-I150 HydrophobicContact CD1-CG2 4.02Å |
| 83 | H | 80.4 | Confident | 83.4 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.7 | -44.9 | -171.2 | -172.3 | 55.8 | 0 | 0 | 0 | 111.3 | R80 E85 L86 M87 | R80-H83 WeakPolarHBondContact O-CB 3.46Å; R80-H83 PolarHBondContact O-N 3.5Å; H83-E85 VanDerWaalsContact C-N 3.31Å; H83-E85 PolarHBondContact O-N 3.4Å; H83-L86 PolarHBondContact O-N 3.08Å; H83-M87 VanDerWaalsContact CD2-CE 3.42Å; H83-M87 WeakPolarHBondContact CD2-CE 3.2Å; H83-M87 PolarHBondContact CE1-SD 3Å; H83-M87 PolarHBondContact NE2-SD 3.21Å; H83-M87 VanDerWaalsContact O-CB 3.28Å; H83-M87 WeakPolarHBondContact O-CB 3.26Å; H83-M87 WeakPolarHBondContact O-CE 3.5Å; H83-M87 WeakPolarHBondContact O-CG 3.32Å; H83-M87 PolarHBondContact O-N 3.03Å; H83-M87 VanDerWaalsContact O-N 3.16Å |
| 84 | S | 84.8 | Confident | 83.7 | Confident | 82 Ų | 82 | 78.9 Ų | 78.9 | 57% | 0.573 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.7 | -34.5 | 178.7 | 33 | 0 | 0 | 0 | 0 | 113.5 | ||
| 85 | E | 91.4 | Very high | 84.6 | Confident | 107 Ų | 107 | 70.4 Ų | 70.4 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -81.8 | -25.2 | -174.5 | -63.1 | 66.3 | -139.9 | 0 | 0 | 112.3 | L82 H83 | L82-E85 VanDerWaalsContact CA-OE2 3.24Å; L82-E85 WeakPolarHBondContact CA-OE2 3.39Å; L82-E85 PolarHBondContact O-N 2.93Å; H83-E85 VanDerWaalsContact C-N 3.31Å; H83-E85 PolarHBondContact O-N 3.4Å |
| 86 | L | 92.3 | Very high | 85.6 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 5% | 0.052 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -104.9 | -1.4 | -176 | -56.3 | 179.3 | 0 | 0 | 0 | 113.1 | L82 H83 M94 L95 F143 I147 I150 Y151 | L82-L86 HydrophobicContact CB-CD1 3.93Å; L82-L86 HydrophobicContact CB-CG 4.37Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 VanDerWaalsContact O-CG 3.28Å; L82-L86 WeakPolarHBondContact O-CG 3.41Å; L82-L86 PolarHBondContact O-N 3.08Å; H83-L86 PolarHBondContact O-N 3.08Å; L86-M94 CarbonylContact O-C 3.55Å; L86-M94 WeakPolarHBondContact O-CA 3.44Å; L86-L95 WeakPolarHBondContact O-CG 3.23Å; L86-L95 PolarHBondContact O-N 3.39Å; L86-F143 HydrophobicContact CD2-CE1 3.89Å; L86-F143 HydrophobicContact CD2-CZ 3.66Å; L86-I147 HydrophobicContact CD2-CG1 3.94Å; L86-I150 HydrophobicContact CD1-CD1 4.18Å; L86-I150 HydrophobicContact CD1-CG2 4.49Å; L86-Y151 HydrophobicContact CD1-CD2 4.31Å; L86-Y151 HydrophobicContact CD1-CE2 3.69Å |
| 87 | M | 93.4 | Very high | 87.2 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -88.1 | 145.1 | 178.7 | -88.7 | -167.8 | -56.2 | 0 | 0 | 113.4 | H83 P89 | H83-M87 VanDerWaalsContact CD2-CE 3.42Å; H83-M87 WeakPolarHBondContact CD2-CE 3.2Å; H83-M87 PolarHBondContact CE1-SD 3Å; H83-M87 PolarHBondContact NE2-SD 3.21Å; H83-M87 VanDerWaalsContact O-CB 3.28Å; H83-M87 WeakPolarHBondContact O-CB 3.26Å; H83-M87 WeakPolarHBondContact O-CE 3.5Å; H83-M87 WeakPolarHBondContact O-CG 3.32Å; H83-M87 PolarHBondContact O-N 3.03Å; H83-M87 VanDerWaalsContact O-N 3.16Å; M87-P89 WeakPolarHBondContact O-CD 3.41Å |
| 88 | C | 96.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -80.7 | 124.1 | 168.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | I90 C91 L92 D93 L95 C109 | C88-I90 PolarHBondContact O-N 3.49Å; C88-C91 VanDerWaalsContact CB-SG 3.52Å; C88-L92 VanDerWaalsContact O-CA 3.29Å; C88-L92 WeakPolarHBondContact O-CA 3.49Å; C88-L92 PolarHBondContact O-N 2.87Å; C88-D93 WeakPolarHBondContact CB-O 3.48Å; C88-D93 PolarHBondContact N-O 3.09Å; C88-L95 HydrophobicContact CB-CD2 3.69Å; C88-L95 HydrophobicContact CB-CG 4.31Å; C88-C109 VanDerWaalsContact CB-SG 3.55Å; C88-C109 PolarHBondContact SG-N 2.96Å; C88-C109 VanDerWaalsContact SG-N 3.39Å | ||
| 89 | P | 95.9 | Very high | 89.7 | Confident | 66 Ų | 66 | 62.3 Ų | 62.3 | 43% | 0.429 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -6.4 | 178.3 | -22.8 | 33.5 | 0 | 0 | 0 | 115.5 | M87 R107 F108 | M87-P89 WeakPolarHBondContact O-CD 3.41Å; P89-R107 WeakPolarHBondContact CD-O 3.45Å; P89-F108 HydrophobicContact CB-CE1 4.16Å; P89-F108 HydrophobicContact CG-CD1 4.34Å; P89-F108 HydrophobicContact CG-CE1 3.97Å |
| 90 | I | 95.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 60 Ų | 60 | 33% | 0.328 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -52.9 | -177.4 | -60.2 | 166.4 | 0 | 0 | 0 | 110.7 | C88 F108 C112 I113 A116 P125 | C88-I90 PolarHBondContact O-N 3.49Å; I90-F108 HydrophobicContact CD1-CB 4.26Å; I90-F108 HydrophobicContact CD1-CD1 3.48Å; I90-F108 VanDerWaalsContact CD1-CD1 3.48Å; I90-F108 HydrophobicContact CD1-CE1 4.14Å; I90-F108 HydrophobicContact CD1-CG 4.08Å; I90-F108 HydrophobicContact CG1-CD1 3.79Å; I90-F108 HydrophobicContact CG1-CE1 4.19Å; I90-C112 HydrophobicContact CB-CB 3.9Å; I90-C112 HydrophobicContact CD1-CB 3.72Å; I90-C112 HydrophobicContact CG1-CB 4.42Å; I90-C112 HydrophobicContact CG2-CB 3.89Å; I90-I113 HydrophobicContact CD1-CD1 4.44Å; I90-A116 HydrophobicContact CD1-CB 4.38Å; I90-P125 HydrophobicContact CD1-CG 4.05Å; I90-P125 HydrophobicContact CG1-CB 4.29Å; I90-P125 HydrophobicContact CG1-CG 4.32Å |
| 91 | C | 94.9 | Very high | 92.5 | Very high | 57 Ų | 57 | 51.9 Ų | 51.9 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -5.9 | -179.3 | 65.7 | 0 | 0 | 0 | 0 | 113.7 | C88 D93 | C88-C91 VanDerWaalsContact CB-SG 3.52Å; C91-D93 PolarHBondContact O-N 2.99Å; C91-D93 VanDerWaalsContact O-N 3.08Å |
| 92 | L | 92.8 | Very high | 93.1 | Very high | 129 Ų | 129 | 52.3 Ų | 52.3 | 68% | 0.675 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 57.1 | 22 | -178.8 | -49 | -179.5 | 0 | 0 | 0 | 113.8 | C88 | C88-L92 VanDerWaalsContact O-CA 3.29Å; C88-L92 WeakPolarHBondContact O-CA 3.49Å; C88-L92 PolarHBondContact O-N 2.87Å |
| 93 | D | 91.2 | Very high | 93.7 | Very high | 61 Ų | 61 | 56.3 Ų | 56.3 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -116.5 | 163.2 | 176.9 | -173 | 16.9 | 0 | 0 | 0 | 108.8 | C88 C91 K96 R154 | C88-D93 WeakPolarHBondContact CB-O 3.48Å; C88-D93 PolarHBondContact N-O 3.09Å; C91-D93 PolarHBondContact O-N 2.99Å; C91-D93 VanDerWaalsContact O-N 3.08Å; D93-K96 IonicContact OD2-NZ 3.09Å; D93-R154 IonicContact OD1-NH2 3.75Å; D93-R154 IonicContact OD2-NH2 3.01Å |
| 94 | M | 90.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | B | Isolated β-bridge | trans | -56.8 | 141.8 | 178.1 | 176.8 | -167.7 | -50.7 | 0 | 0 | 110.7 | L86 K96 I147 Y151 R154 | L86-M94 CarbonylContact O-C 3.55Å; L86-M94 WeakPolarHBondContact O-CA 3.44Å; M94-K96 PolarHBondContact O-N 3.42Å; M94-I147 HydrophobicContact CG-CG2 4.08Å; M94-I147 HydrophobicContact SD-CG2 3.56Å; M94-I147 VanDerWaalsContact SD-CG2 3.56Å; M94-Y151 HydrophobicContact CE-CD1 4.06Å; M94-Y151 HydrophobicContact CE-CD2 3.67Å; M94-Y151 HydrophobicContact CE-CE1 4.16Å; M94-Y151 HydrophobicContact CE-CE2 3.8Å; M94-Y151 HydrophobicContact CE-CG 3.81Å; M94-Y151 HydrophobicContact SD-CD2 4.05Å; M94-Y151 HydrophobicContact SD-CG 4.32Å; M94-R154 VanDerWaalsContact C-NH2 3.33Å; M94-R154 VanDerWaalsContact CB-NH2 3.31Å; M94-R154 PolarHBondContact O-NH1 3.05Å; M94-R154 PolarHBondContact O-NH2 3.39Å; M94-R154 HydrophobicContact SD-CG 4.49Å |
| 95 | L | 94.8 | Very high | 95 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | trans | -60 | 131.5 | -173.8 | -71.9 | 157.6 | 0 | 0 | 0 | 111.9 | L86 C88 T98 R107 F108 F143 I147 R154 | L86-L95 WeakPolarHBondContact O-CG 3.23Å; L86-L95 PolarHBondContact O-N 3.39Å; C88-L95 HydrophobicContact CB-CD2 3.69Å; C88-L95 HydrophobicContact CB-CG 4.31Å; L95-T98 HydrophobicContact CD1-CG2 4.39Å; L95-R107 HydrophobicContact CD1-CB 3.82Å; L95-R107 HydrophobicContact CD2-CB 4.28Å; L95-F108 VanDerWaalsContact CD2-CA 3.41Å; L95-F143 HydrophobicContact CD1-CD1 4.22Å; L95-F143 HydrophobicContact CD1-CE1 3.63Å; L95-I147 HydrophobicContact CB-CD1 3.88Å; L95-R154 PolarHBondContact O-NH1 3.02Å | ||
| 96 | K | 94 | Very high | 95.3 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -120.8 | 127.9 | 174.4 | -63.9 | -177.6 | -172.8 | -175.3 | 0 | 108.6 | D93 M94 C109 A110 E158 | D93-K96 IonicContact OD2-NZ 3.09Å; M94-K96 PolarHBondContact O-N 3.42Å; K96-C109 PolarHBondContact N-SG 3.1Å; K96-C109 WeakPolarHBondContact O-CA 3.48Å; K96-C109 WeakPolarHBondContact O-CB 3.34Å; K96-A110 PolarHBondContact O-N 3.35Å; K96-E158 VanDerWaalsContact CE-OE1 3.29Å; K96-E158 WeakPolarHBondContact CE-OE1 3.41Å; K96-E158 IonicContact NZ-OE1 3.68Å; K96-E158 PolarHBondContact NZ-OE1 3.37Å; K96-E158 IonicContact NZ-OE2 3.06Å; K96-E158 PolarHBondContact NZ-OE2 2.81Å |
| 97 | N | 96.7 | Very high | 95.5 | Very high | 112 Ų | 112 | 55.3 Ų | 55.3 | 60% | 0.599 | 28% | 0.281 | S | S | * | . | S | Bend | trans | 49.8 | 66.7 | -176.2 | -55.5 | 104.1 | 0 | 0 | 0 | 111.1 | M99 A110 D144 | N97-M99 PolarHBondContact O-N 2.82Å; N97-A110 HydrophobicContact CB-CB 4Å; N97-A110 WeakPolarHBondContact O-CB 3.37Å; N97-A110 PolarHBondContact O-N 3.14Å; N97-A110 VanDerWaalsContact O-N 3.09Å; N97-D144 WeakPolarHBondContact CA-OD2 3.38Å |
| 98 | T | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 129.6 | -166 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | L95 R107 P139 D140 F143 D144 | L95-T98 HydrophobicContact CD1-CG2 4.39Å; T98-R107 HydrophobicContact CG2-CB 3.89Å; T98-R107 HydrophobicContact CG2-CG 4.04Å; T98-P139 WeakPolarHBondContact O-CA 3.42Å; T98-D140 HydrophobicContact CG2-CB 4.24Å; T98-D140 PolarHBondContact O-N 2.88Å; T98-F143 HydrophobicContact CG2-CD1 4.06Å; T98-D144 WeakPolarHBondContact CB-OD1 3.19Å; T98-D144 PolarHBondContact N-OD1 3.2Å; T98-D144 PolarHBondContact N-OD2 3.14Å; T98-D144 VanDerWaalsContact N-OD2 3.13Å; T98-D144 PolarHBondContact OG1-OD1 3.28Å |
| 99 | M | 97.8 | Very high | 95.9 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 172 | -69.4 | -68 | -79.4 | 0 | 0 | 109.8 | N97 R107 F108 A110 I113 L137 R138 P139 | N97-M99 PolarHBondContact O-N 2.82Å; M99-R107 WeakPolarHBondContact O-CA 3.18Å; M99-F108 PolarHBondContact N-O 3.44Å; M99-F108 PolarHBondContact O-N 2.72Å; M99-A110 HydrophobicContact CG-CB 3.75Å; M99-I113 HydrophobicContact CB-CG2 3.8Å; M99-I113 HydrophobicContact CG-CG2 4.19Å; M99-L137 HydrophobicContact CE-CB 3.65Å; M99-L137 HydrophobicContact CE-CD1 4.07Å; M99-R138 WeakPolarHBondContact CA-O 3.44Å; M99-P139 HydrophobicContact SD-CB 4.11Å; M99-P139 HydrophobicContact SD-CG 3.89Å |
| 100 | T | 97.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 51.1 Ų | 51.1 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.3 | -175.9 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | L105 H106 R107 L137 R138 D140 | T100-L105 HydrophobicContact CG2-CB 4.29Å; T100-L105 HydrophobicContact CG2-CD2 4.04Å; T100-H106 WeakPolarHBondContact CA-O 3.27Å; T100-R107 HydrophobicContact CG2-CG 4.37Å; T100-L137 CarbonylContact O-C 3.41Å; T100-L137 WeakPolarHBondContact O-CA 3.45Å; T100-R138 PolarHBondContact N-O 2.75Å; T100-R138 PolarHBondContact O-N 2.85Å; T100-D140 WeakPolarHBondContact OG1-CB 3.34Å; T100-D140 PolarHBondContact OG1-OD2 2.94Å |
| 101 | T | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 137 | 175.2 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | E103 C104 L105 H106 F108 L131 L137 | T101-E103 PolarHBondContact O-N 3.16Å; T101-C104 PolarHBondContact OG1-SG 3.08Å; T101-L105 VanDerWaalsContact O-CA 3.25Å; T101-L105 WeakPolarHBondContact O-CA 3.38Å; T101-L105 PolarHBondContact O-N 3.21Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 VanDerWaalsContact OG1-N 3.14Å; T101-H106 PolarHBondContact N-O 2.89Å; T101-H106 PolarHBondContact OG1-N 3.29Å; T101-H106 PolarHBondContact OG1-O 3.47Å; T101-F108 HydrophobicContact CG2-CD2 4.45Å; T101-F108 HydrophobicContact CG2-CE2 3.91Å; T101-L131 HydrophobicContact CG2-CD1 3.81Å; T101-L131 HydrophobicContact CG2-CD2 3.87Å; T101-L131 HydrophobicContact CG2-CG 4.48Å; T101-L137 HydrophobicContact CG2-CD2 3.63Å |
| 102 | K | 96.1 | Very high | 96.2 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -33.2 | -178 | -69 | 173.5 | -179.4 | 175.2 | 0 | 114.1 | R135 S136 R138 | K102-R135 WeakPolarHBondContact CE-O 3.34Å; K102-R135 PolarHBondContact NZ-O 3.2Å; K102-S136 WeakPolarHBondContact CG-O 3.29Å; K102-S136 PolarHBondContact N-O 3.3Å; K102-R138 HydrophobicContact CD-CG 4.44Å; K102-R138 HydrophobicContact CG-CG 4.25Å |
| 103 | E | 94.3 | Very high | 96.4 | Very high | 133 Ų | 133 | 46.2 Ų | 46.2 | 62% | 0.621 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -20.3 | -172.7 | -62.1 | -60 | 149 | 0 | 0 | 114.4 | T101 K129 | T101-E103 PolarHBondContact O-N 3.16Å; E103-K129 HydrophobicContact CB-CD 4.34Å; E103-K129 PolarHBondContact O-NZ 2.64Å |
| 104 | C | 96.1 | Very high | 96.6 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | -2.7 | -175.7 | 43.3 | 0 | 0 | 0 | 0 | 114.7 | T101 H106 C124 C127 K129 | T101-C104 PolarHBondContact OG1-SG 3.08Å; C104-H106 PolarHBondContact O-N 3.43Å; C104-C124 VanDerWaalsContact SG-SG 3.69Å; C104-C127 VanDerWaalsContact CB-SG 3.57Å; C104-C127 PolarHBondContact SG-SG 3.49Å; C104-K129 HydrophobicContact CB-CD 3.95Å |
| 105 | L | 96.9 | Very high | 96.8 | Very high | 110 Ų | 110 | 48.9 Ų | 48.9 | 58% | 0.576 | 25% | 0.248 | S | C | * | . | trans | 54.2 | 22.6 | 178.5 | -55.9 | 178.8 | 0 | 0 | 0 | 114.9 | T100 T101 | T100-L105 HydrophobicContact CG2-CB 4.29Å; T100-L105 HydrophobicContact CG2-CD2 4.04Å; T101-L105 VanDerWaalsContact O-CA 3.25Å; T101-L105 WeakPolarHBondContact O-CA 3.38Å; T101-L105 PolarHBondContact O-N 3.21Å; T101-L105 PolarHBondContact OG1-N 2.88Å; T101-L105 VanDerWaalsContact OG1-N 3.14Å | ||
| 106 | H | 97.6 | Very high | 96.8 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 27% | 0.269 | 26% | 0.259 | S | S | . | . | trans | -74.2 | 141 | 171.1 | -69.9 | 127.8 | 0 | 0 | 0 | 110.1 | T100 T101 C104 F108 C124 C127 | T100-H106 WeakPolarHBondContact CA-O 3.27Å; T101-H106 PolarHBondContact N-O 2.89Å; T101-H106 PolarHBondContact OG1-N 3.29Å; T101-H106 PolarHBondContact OG1-O 3.47Å; C104-H106 PolarHBondContact O-N 3.43Å; H106-F108 HydrophobicContact CB-CE2 3.72Å; H106-F108 HydrophobicContact CB-CZ 3.84Å; H106-C124 PolarHBondContact ND1-SG 3.4Å; H106-C127 VanDerWaalsContact CE1-CB 3.49Å; H106-C127 WeakPolarHBondContact CE1-CB 3.47Å; H106-C127 PolarHBondContact CE1-SG 2.76Å; H106-C127 PolarHBondContact ND1-SG 3.43Å | ||
| 107 | R | 98.1 | Very high | 96.8 | Very high | 88 Ų | 88 | 46.7 Ų | 46.7 | 33% | 0.332 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 139.5 | -172.3 | -65.1 | -177 | 176.3 | 83 | 0.4 | 110.9 | P89 L95 T98 M99 T100 D140 | P89-R107 WeakPolarHBondContact CD-O 3.45Å; L95-R107 HydrophobicContact CD1-CB 3.82Å; L95-R107 HydrophobicContact CD2-CB 4.28Å; T98-R107 HydrophobicContact CG2-CB 3.89Å; T98-R107 HydrophobicContact CG2-CG 4.04Å; M99-R107 WeakPolarHBondContact O-CA 3.18Å; T100-R107 HydrophobicContact CG2-CG 4.37Å; R107-D140 IonicContact NE-OD2 3.67Å; R107-D140 IonicContact NH2-OD2 3.94Å |
| 108 | F | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 158.9 | 179.6 | -53.7 | -81.8 | 0 | 0 | 0 | 110.4 | P89 I90 L95 M99 T101 H106 I113 P125 T126 | P89-F108 HydrophobicContact CB-CE1 4.16Å; P89-F108 HydrophobicContact CG-CD1 4.34Å; P89-F108 HydrophobicContact CG-CE1 3.97Å; I90-F108 HydrophobicContact CD1-CB 4.26Å; I90-F108 HydrophobicContact CD1-CD1 3.48Å; I90-F108 VanDerWaalsContact CD1-CD1 3.48Å; I90-F108 HydrophobicContact CD1-CE1 4.14Å; I90-F108 HydrophobicContact CD1-CG 4.08Å; I90-F108 HydrophobicContact CG1-CD1 3.79Å; I90-F108 HydrophobicContact CG1-CE1 4.19Å; L95-F108 VanDerWaalsContact CD2-CA 3.41Å; M99-F108 PolarHBondContact N-O 3.44Å; M99-F108 PolarHBondContact O-N 2.72Å; T101-F108 HydrophobicContact CG2-CD2 4.45Å; T101-F108 HydrophobicContact CG2-CE2 3.91Å; H106-F108 HydrophobicContact CB-CE2 3.72Å; H106-F108 HydrophobicContact CB-CZ 3.84Å; F108-I113 HydrophobicContact CB-CB 3.73Å; F108-I113 HydrophobicContact CB-CG1 4.43Å; F108-I113 HydrophobicContact CB-CG2 4.21Å; F108-I113 HydrophobicContact CD2-CB 4.27Å; F108-I113 HydrophobicContact CD2-CD1 3.84Å; F108-I113 HydrophobicContact CD2-CG1 4.04Å; F108-I113 HydrophobicContact CE2-CD1 4.12Å; F108-I113 HydrophobicContact CG-CB 4.11Å; F108-I113 HydrophobicContact CG-CD1 4.12Å; F108-I113 HydrophobicContact CG-CG1 4.33Å; F108-P125 HydrophobicContact CE1-CB 3.95Å; F108-P125 HydrophobicContact CE1-CG 4.07Å; F108-P125 HydrophobicContact CZ-CB 4.24Å; F108-P125 HydrophobicContact CZ-CG 4.2Å; F108-T126 VanDerWaalsContact CZ-OG1 3.3Å; F108-T126 WeakPolarHBondContact CZ-OG1 3.16Å |
| 109 | C | 98.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 145.1 | 166.1 | -54.6 | 0 | 0 | 0 | 0 | 110 | C88 K96 D111 C112 I113 | C88-C109 VanDerWaalsContact CB-SG 3.55Å; C88-C109 PolarHBondContact SG-N 2.96Å; C88-C109 VanDerWaalsContact SG-N 3.39Å; K96-C109 PolarHBondContact N-SG 3.1Å; K96-C109 WeakPolarHBondContact O-CA 3.48Å; K96-C109 WeakPolarHBondContact O-CB 3.34Å; C109-D111 VanDerWaalsContact C-N 3.33Å; C109-D111 PolarHBondContact O-N 2.93Å; C109-C112 HydrophobicContact CB-CB 3.96Å; C109-C112 PolarHBondContact O-N 3.3Å; C109-I113 WeakPolarHBondContact O-CG2 3.3Å; C109-I113 PolarHBondContact O-N 3.38Å |
| 110 | A | 97.6 | Very high | 95.5 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 14% | 0.14 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.2 | -50 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K96 N97 M99 C112 I114 | K96-A110 PolarHBondContact O-N 3.35Å; N97-A110 HydrophobicContact CB-CB 4Å; N97-A110 WeakPolarHBondContact O-CB 3.37Å; N97-A110 PolarHBondContact O-N 3.14Å; N97-A110 VanDerWaalsContact O-N 3.09Å; M99-A110 HydrophobicContact CG-CB 3.75Å; A110-C112 VanDerWaalsContact C-N 3.33Å; A110-C112 PolarHBondContact O-N 3.4Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 VanDerWaalsContact O-CD1 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.06Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.48Å |
| 111 | D | 97.5 | Very high | 95 | Very high | 122 Ų | 122 | 61.2 Ų | 61.2 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.2 | -37.5 | -178 | -62.3 | -27.3 | 0 | 0 | 0 | 112.1 | C109 T115 | C109-D111 VanDerWaalsContact C-N 3.33Å; C109-D111 PolarHBondContact O-N 2.93Å; D111-T115 WeakPolarHBondContact O-CB 3.49Å; D111-T115 PolarHBondContact O-N 3.04Å; D111-T115 PolarHBondContact O-OG1 3.03Å |
| 112 | C | 97.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 65.9 Ų | 65.9 | 17% | 0.169 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.2 | -52.7 | 179.8 | -70.8 | 0 | 0 | 0 | 0 | 111.5 | I90 C109 A110 T115 A116 | I90-C112 HydrophobicContact CB-CB 3.9Å; I90-C112 HydrophobicContact CD1-CB 3.72Å; I90-C112 HydrophobicContact CG1-CB 4.42Å; I90-C112 HydrophobicContact CG2-CB 3.89Å; C109-C112 HydrophobicContact CB-CB 3.96Å; C109-C112 PolarHBondContact O-N 3.3Å; A110-C112 VanDerWaalsContact C-N 3.33Å; A110-C112 PolarHBondContact O-N 3.4Å; C112-T115 PolarHBondContact O-N 3.26Å; C112-A116 WeakPolarHBondContact O-CB 3.42Å; C112-A116 PolarHBondContact O-N 3.27Å |
| 113 | I | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -71.8 | -33.8 | -177.3 | -168.4 | 60.4 | 0 | 0 | 0 | 112.5 | I90 M99 F108 C109 A116 L117 P125 L131 L137 | I90-I113 HydrophobicContact CD1-CD1 4.44Å; M99-I113 HydrophobicContact CB-CG2 3.8Å; M99-I113 HydrophobicContact CG-CG2 4.19Å; F108-I113 HydrophobicContact CB-CB 3.73Å; F108-I113 HydrophobicContact CB-CG1 4.43Å; F108-I113 HydrophobicContact CB-CG2 4.21Å; F108-I113 HydrophobicContact CD2-CB 4.27Å; F108-I113 HydrophobicContact CD2-CD1 3.84Å; F108-I113 HydrophobicContact CD2-CG1 4.04Å; F108-I113 HydrophobicContact CE2-CD1 4.12Å; F108-I113 HydrophobicContact CG-CB 4.11Å; F108-I113 HydrophobicContact CG-CD1 4.12Å; F108-I113 HydrophobicContact CG-CG1 4.33Å; C109-I113 WeakPolarHBondContact O-CG2 3.3Å; C109-I113 PolarHBondContact O-N 3.38Å; I113-A116 PolarHBondContact O-N 2.98Å; I113-L117 WeakPolarHBondContact O-CB 3.37Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.28Å; I113-L117 PolarHBondContact O-N 3.29Å; I113-P125 HydrophobicContact CD1-CG 3.91Å; I113-L131 HydrophobicContact CD1-CD1 4.35Å; I113-L137 HydrophobicContact CB-CD1 4.37Å; I113-L137 HydrophobicContact CG1-CD1 3.7Å; I113-L137 HydrophobicContact CG1-CD2 4.1Å; I113-L137 HydrophobicContact CG2-CD1 3.7Å |
| 114 | I | 95.4 | Very high | 94.9 | Very high | 61 Ų | 61 | 58.4 Ų | 58.4 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -42 | 175.7 | -68.3 | 168.2 | 0 | 0 | 0 | 110.1 | A110 L117 R118 K134 | A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.36Å; A110-I114 VanDerWaalsContact O-CD1 3.32Å; A110-I114 WeakPolarHBondContact O-CD1 3.06Å; A110-I114 WeakPolarHBondContact O-CG1 3.31Å; A110-I114 PolarHBondContact O-N 3.48Å; I114-L117 PolarHBondContact O-N 3.37Å; I114-R118 PolarHBondContact O-N 2.69Å; I114-R118 VanDerWaalsContact O-N 3.11Å; I114-K134 HydrophobicContact CD1-CD 4.41Å |
| 115 | T | 95.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.5 | -46.9 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | D111 C112 L117 R118 S119 | D111-T115 WeakPolarHBondContact O-CB 3.49Å; D111-T115 PolarHBondContact O-N 3.04Å; D111-T115 PolarHBondContact O-OG1 3.03Å; C112-T115 PolarHBondContact O-N 3.26Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.9Å; T115-R118 WeakPolarHBondContact O-CA 3.47Å; T115-R118 WeakPolarHBondContact O-CB 3.3Å; T115-R118 PolarHBondContact O-N 2.93Å; T115-S119 PolarHBondContact O-N 3.01Å; T115-S119 VanDerWaalsContact O-N 3.16Å; T115-S119 PolarHBondContact O-OG 3.44Å |
| 116 | A | 94.6 | Very high | 94.7 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 24% | 0.24 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.3 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I90 C112 I113 R118 S119 P125 | I90-A116 HydrophobicContact CD1-CB 4.38Å; C112-A116 WeakPolarHBondContact O-CB 3.42Å; C112-A116 PolarHBondContact O-N 3.27Å; I113-A116 PolarHBondContact O-N 2.98Å; A116-R118 PolarHBondContact O-N 3.47Å; A116-S119 WeakPolarHBondContact O-CB 3.27Å; A116-S119 PolarHBondContact O-N 2.98Å; A116-P125 HydrophobicContact CB-CG 4.44Å |
| 117 | L | 94 | Very high | 94.7 | Very high | 11 Ų | 11 | 56.8 Ų | 56.8 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.3 | -25.9 | 175.9 | -72.2 | 177 | 0 | 0 | 0 | 112.8 | I113 I114 T115 K122 L131 L137 | I113-L117 WeakPolarHBondContact O-CB 3.37Å; I113-L117 VanDerWaalsContact O-CG 3.32Å; I113-L117 WeakPolarHBondContact O-CG 3.28Å; I113-L117 PolarHBondContact O-N 3.29Å; I114-L117 PolarHBondContact O-N 3.37Å; T115-L117 VanDerWaalsContact C-N 3.33Å; T115-L117 PolarHBondContact O-N 2.9Å; L117-K122 PolarHBondContact O-NZ 2.99Å; L117-L131 HydrophobicContact CD2-CB 3.91Å; L117-L131 HydrophobicContact CD2-CD1 4.39Å; L117-L137 HydrophobicContact CD1-CD1 3.88Å |
| 118 | R | 92.5 | Very high | 94.5 | Very high | 200 Ų | 200 | 60.3 Ų | 60.3 | 76% | 0.755 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -75.1 | -28.9 | 176.1 | -168.8 | 172.3 | 63.4 | 96.8 | 0.1 | 112.1 | I114 T115 A116 G120 | I114-R118 PolarHBondContact O-N 2.69Å; I114-R118 VanDerWaalsContact O-N 3.11Å; T115-R118 WeakPolarHBondContact O-CA 3.47Å; T115-R118 WeakPolarHBondContact O-CB 3.3Å; T115-R118 PolarHBondContact O-N 2.93Å; A116-R118 PolarHBondContact O-N 3.47Å; R118-G120 PolarHBondContact O-N 2.91Å |
| 119 | S | 89.6 | Confident | 94.4 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 65% | 0.65 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -2.7 | 177.8 | -53.6 | 0 | 0 | 0 | 0 | 114.8 | T115 A116 | T115-S119 PolarHBondContact O-N 3.01Å; T115-S119 VanDerWaalsContact O-N 3.16Å; T115-S119 PolarHBondContact O-OG 3.44Å; A116-S119 WeakPolarHBondContact O-CB 3.27Å; A116-S119 PolarHBondContact O-N 2.98Å |
| 120 | G | 83.4 | Confident | 94.2 | Very high | 45 Ų | 45 | 72.8 Ų | 72.8 | 46% | 0.464 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 104.6 | -23.6 | 171 | 0 | 0 | 0 | 0 | 0 | 114.4 | R118 K122 | R118-G120 PolarHBondContact O-N 2.91Å; G120-K122 PolarHBondContact O-N 3.34Å |
| 121 | N | 86.6 | Confident | 94.1 | Very high | 107 Ų | 107 | 72 Ų | 72 | 57% | 0.572 | 37% | 0.372 | S | S | * | . | trans | -83.7 | 102.2 | -179.2 | -63.8 | -6.2 | 0 | 0 | 0 | 110.3 | E123 | N121-E123 HydrophobicContact CB-CG 4.31Å; N121-E123 PolarHBondContact O-N 3.47Å | ||
| 122 | K | 93.1 | Very high | 93.8 | Very high | 98 Ų | 98 | 70.8 Ų | 70.8 | 43% | 0.426 | 37% | 0.369 | S | S | . | . | trans | -83.4 | 54 | -177 | -58.5 | -54.2 | -179.1 | -171.4 | 0 | 112 | L117 G120 L131 | L117-K122 PolarHBondContact O-NZ 2.99Å; G120-K122 PolarHBondContact O-N 3.34Å; K122-L131 CarbonylContact C-O 3.53Å; K122-L131 WeakPolarHBondContact CA-O 3.48Å; K122-L131 VanDerWaalsContact CB-O 3.31Å; K122-L131 WeakPolarHBondContact CB-O 3.05Å; K122-L131 CarbonylContact O-C 3.54Å; K122-L131 PolarHBondContact O-N 2.94Å | ||
| 123 | E | 95.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 71.9 Ų | 71.9 | 28% | 0.28 | 38% | 0.377 | S | S | . | . | B | Isolated β-bridge | trans | -140.2 | 159.7 | -177.2 | 63 | 177.5 | -166.7 | 0 | 0 | 111.9 | N121 P125 R128 K129 | N121-E123 HydrophobicContact CB-CG 4.31Å; N121-E123 PolarHBondContact O-N 3.47Å; E123-P125 WeakPolarHBondContact O-CD 3.39Å; E123-R128 VanDerWaalsContact CD-CD 3.46Å; E123-R128 WeakPolarHBondContact OE1-CD 3.45Å; E123-R128 IonicContact OE1-CZ 3.64Å; E123-R128 IonicContact OE1-NE 3.81Å; E123-R128 IonicContact OE1-NH1 2.71Å; E123-R128 PolarHBondContact OE1-NH1 3.33Å; E123-K129 CarbonylContact C-O 3.52Å; E123-K129 WeakPolarHBondContact CA-O 3.46Å |
| 124 | C | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | trans | -70.2 | 125.7 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | C104 H106 T126 R128 K129 L131 | C104-C124 VanDerWaalsContact SG-SG 3.69Å; H106-C124 PolarHBondContact ND1-SG 3.4Å; C124-T126 PolarHBondContact O-N 2.97Å; C124-T126 VanDerWaalsContact O-N 3.15Å; C124-R128 VanDerWaalsContact O-CA 3.24Å; C124-R128 WeakPolarHBondContact O-CA 3.22Å; C124-R128 PolarHBondContact O-N 2.95Å; C124-K129 PolarHBondContact N-O 3.01Å; C124-L131 HydrophobicContact CB-CD1 3.95Å; C124-L131 HydrophobicContact CB-CG 4.17Å | ||
| 125 | P | 95.1 | Very high | 93.2 | Very high | 46 Ų | 46 | 84.9 Ų | 84.9 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.3 | 179.4 | -29.5 | 37.7 | 0 | 0 | 0 | 114.4 | I90 F108 I113 A116 E123 | I90-P125 HydrophobicContact CD1-CG 4.05Å; I90-P125 HydrophobicContact CG1-CB 4.29Å; I90-P125 HydrophobicContact CG1-CG 4.32Å; F108-P125 HydrophobicContact CE1-CB 3.95Å; F108-P125 HydrophobicContact CE1-CG 4.07Å; F108-P125 HydrophobicContact CZ-CB 4.24Å; F108-P125 HydrophobicContact CZ-CG 4.2Å; I113-P125 HydrophobicContact CD1-CG 3.91Å; A116-P125 HydrophobicContact CB-CG 4.44Å; E123-P125 WeakPolarHBondContact O-CD 3.39Å |
| 126 | T | 95.7 | Very high | 93.2 | Very high | 65 Ų | 65 | 82.6 Ų | 82.6 | 40% | 0.399 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -47.5 | -177.5 | -49 | 0 | 0 | 0 | 0 | 113.1 | F108 C124 | F108-T126 VanDerWaalsContact CZ-OG1 3.3Å; F108-T126 WeakPolarHBondContact CZ-OG1 3.16Å; C124-T126 PolarHBondContact O-N 2.97Å; C124-T126 VanDerWaalsContact O-N 3.15Å |
| 127 | C | 96.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 81.7 Ų | 81.7 | 31% | 0.311 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125 | 7.8 | -171.4 | 68.3 | 0 | 0 | 0 | 0 | 115.1 | C104 H106 K129 | C104-C127 VanDerWaalsContact CB-SG 3.57Å; C104-C127 PolarHBondContact SG-SG 3.49Å; H106-C127 VanDerWaalsContact CE1-CB 3.49Å; H106-C127 WeakPolarHBondContact CE1-CB 3.47Å; H106-C127 PolarHBondContact CE1-SG 2.76Å; H106-C127 PolarHBondContact ND1-SG 3.43Å; C127-K129 PolarHBondContact O-N 3.36Å |
| 128 | R | 94.9 | Very high | 93.5 | Very high | 163 Ų | 163 | 88.8 Ų | 88.8 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | trans | 59.7 | 7.8 | 175.7 | -49.2 | -65.8 | 176.9 | 145.3 | 3.8 | 115.6 | E123 C124 | E123-R128 VanDerWaalsContact CD-CD 3.46Å; E123-R128 WeakPolarHBondContact OE1-CD 3.45Å; E123-R128 IonicContact OE1-CZ 3.64Å; E123-R128 IonicContact OE1-NE 3.81Å; E123-R128 IonicContact OE1-NH1 2.71Å; E123-R128 PolarHBondContact OE1-NH1 3.33Å; C124-R128 VanDerWaalsContact O-CA 3.24Å; C124-R128 WeakPolarHBondContact O-CA 3.22Å; C124-R128 PolarHBondContact O-N 2.95Å | ||
| 129 | K | 95 | Very high | 93.7 | Very high | 106 Ų | 106 | 83.9 Ų | 83.9 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | trans | -59.3 | 141.9 | 169.5 | -72 | -165.6 | -163.5 | -179.4 | 0 | 110.5 | E103 C104 E123 C124 C127 L131 | E103-K129 HydrophobicContact CB-CD 4.34Å; E103-K129 PolarHBondContact O-NZ 2.64Å; C104-K129 HydrophobicContact CB-CD 3.95Å; E123-K129 CarbonylContact C-O 3.52Å; E123-K129 WeakPolarHBondContact CA-O 3.46Å; C124-K129 PolarHBondContact N-O 3.01Å; C127-K129 PolarHBondContact O-N 3.36Å; K129-L131 PolarHBondContact O-N 3.33Å | ||
| 130 | K | 95.1 | Very high | 94.1 | Very high | 164 Ų | 164 | 81 Ų | 81 | 71% | 0.713 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -61.6 | 127.5 | -175.2 | -168.6 | 170.9 | -175.9 | 174.4 | 0 | 112.3 | ||
| 131 | L | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 82.9 Ų | 82.9 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -120.5 | 93.9 | 174.2 | -66.2 | -177.1 | 0 | 0 | 0 | 109.5 | T101 I113 L117 K122 C124 K129 S133 L137 | T101-L131 HydrophobicContact CG2-CD1 3.81Å; T101-L131 HydrophobicContact CG2-CD2 3.87Å; T101-L131 HydrophobicContact CG2-CG 4.48Å; I113-L131 HydrophobicContact CD1-CD1 4.35Å; L117-L131 HydrophobicContact CD2-CB 3.91Å; L117-L131 HydrophobicContact CD2-CD1 4.39Å; K122-L131 CarbonylContact C-O 3.53Å; K122-L131 WeakPolarHBondContact CA-O 3.48Å; K122-L131 VanDerWaalsContact CB-O 3.31Å; K122-L131 WeakPolarHBondContact CB-O 3.05Å; K122-L131 CarbonylContact O-C 3.54Å; K122-L131 PolarHBondContact O-N 2.94Å; C124-L131 HydrophobicContact CB-CD1 3.95Å; C124-L131 HydrophobicContact CB-CG 4.17Å; K129-L131 PolarHBondContact O-N 3.33Å; L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 3.08Å; L131-L137 HydrophobicContact CD1-CD2 4.32Å | ||
| 132 | V | 90.9 | Very high | 95.2 | Very high | 97 Ų | 97 | 84.1 Ų | 84.1 | 59% | 0.588 | 41% | 0.411 | S | S | * | . | trans | -58.4 | -41.9 | -173.1 | -178.9 | 0 | 0 | 0 | 0 | 112.3 | S136 | V132-S136 PolarHBondContact N-OG 3.29Š| ||
| 133 | S | 91.9 | Very high | 95.4 | Very high | 48 Ų | 48 | 80.7 Ų | 80.7 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -165.6 | -174.3 | 179.2 | 66.6 | 0 | 0 | 0 | 0 | 111.6 | L131 R135 S136 | L131-S133 VanDerWaalsContact C-N 3.32Å; L131-S133 PolarHBondContact O-N 3.08Å; S133-R135 PolarHBondContact O-N 3.46Å; S133-R135 WeakPolarHBondContact OG-CB 3.41Å; S133-R135 PolarHBondContact OG-N 3.39Å; S133-S136 VanDerWaalsContact O-CB 3.32Å; S133-S136 WeakPolarHBondContact O-CB 3.11Å; S133-S136 PolarHBondContact O-N 3.15Å |
| 134 | K | 92.9 | Very high | 95.3 | Very high | 131 Ų | 131 | 79.7 Ų | 79.7 | 57% | 0.57 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -52 | -25.9 | 169.5 | -171.9 | 174.8 | 179.8 | 177.1 | 0 | 113 | I114 S136 L137 | I114-K134 HydrophobicContact CD1-CD 4.41Å; K134-S136 PolarHBondContact O-N 3.34Å; K134-L137 WeakPolarHBondContact O-CB 3.4Å; K134-L137 PolarHBondContact O-N 2.94Å; K134-L137 VanDerWaalsContact O-N 3.09Å |
| 135 | R | 94.2 | Very high | 95.2 | Very high | 203 Ų | 203 | 82.2 Ų | 82.2 | 77% | 0.766 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -63.5 | -23.8 | 175.1 | -175.9 | -177.7 | -66.4 | -84.5 | 0.2 | 113.2 | K102 S133 L137 | K102-R135 WeakPolarHBondContact CE-O 3.34Å; K102-R135 PolarHBondContact NZ-O 3.2Å; S133-R135 PolarHBondContact O-N 3.46Å; S133-R135 WeakPolarHBondContact OG-CB 3.41Å; S133-R135 PolarHBondContact OG-N 3.39Å; R135-L137 PolarHBondContact O-N 3.45Å |
| 136 | S | 94.8 | Very high | 95 | Very high | 23 Ų | 23 | 84.2 Ų | 84.2 | 16% | 0.161 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -76.4 | -3.7 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 113 | K102 V132 S133 K134 | K102-S136 WeakPolarHBondContact CG-O 3.29Å; K102-S136 PolarHBondContact N-O 3.3Å; V132-S136 PolarHBondContact N-OG 3.29Å; S133-S136 VanDerWaalsContact O-CB 3.32Å; S133-S136 WeakPolarHBondContact O-CB 3.11Å; S133-S136 PolarHBondContact O-N 3.15Å; K134-S136 PolarHBondContact O-N 3.34Å |
| 137 | L | 96.8 | Very high | 94.8 | Very high | 9 Ų | 9 | 81.4 Ų | 81.4 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 160.5 | 178.6 | -51.9 | 173.3 | 0 | 0 | 0 | 110.9 | M99 T100 T101 I113 L117 L131 K134 R135 | M99-L137 HydrophobicContact CE-CB 3.65Å; M99-L137 HydrophobicContact CE-CD1 4.07Å; T100-L137 CarbonylContact O-C 3.41Å; T100-L137 WeakPolarHBondContact O-CA 3.45Å; T101-L137 HydrophobicContact CG2-CD2 3.63Å; I113-L137 HydrophobicContact CB-CD1 4.37Å; I113-L137 HydrophobicContact CG1-CD1 3.7Å; I113-L137 HydrophobicContact CG1-CD2 4.1Å; I113-L137 HydrophobicContact CG2-CD1 3.7Å; L117-L137 HydrophobicContact CD1-CD1 3.88Å; L131-L137 HydrophobicContact CD1-CD2 4.32Å; K134-L137 WeakPolarHBondContact O-CB 3.4Å; K134-L137 PolarHBondContact O-N 2.94Å; K134-L137 VanDerWaalsContact O-N 3.09Å; R135-L137 PolarHBondContact O-N 3.45Å |
| 138 | R | 97.4 | Very high | 94.5 | Very high | 160 Ų | 160 | 82.7 Ų | 82.7 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 145 | 164.8 | -64.9 | -152.4 | -174.2 | 115.1 | -2 | 110.5 | M99 T100 K102 | M99-R138 WeakPolarHBondContact CA-O 3.44Å; T100-R138 PolarHBondContact N-O 2.75Å; T100-R138 PolarHBondContact O-N 2.85Å; K102-R138 HydrophobicContact CD-CG 4.44Å; K102-R138 HydrophobicContact CG-CG 4.25Å |
| 139 | P | 97.9 | Very high | 94.2 | Very high | 98 Ų | 98 | 83.2 Ų | 83.2 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 144.4 | 164.7 | -18.1 | 31.2 | 0 | 0 | 0 | 110.9 | T98 M99 P141 | T98-P139 WeakPolarHBondContact O-CA 3.42Å; M99-P139 HydrophobicContact SD-CB 4.11Å; M99-P139 HydrophobicContact SD-CG 3.89Å; P139-P141 WeakPolarHBondContact O-CD 3.49Å |
| 140 | D | 97.8 | Very high | 93.8 | Very high | 33 Ų | 33 | 81.1 Ų | 81.1 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | trans | -124.4 | 74.6 | 178.8 | -165.2 | -13.8 | 0 | 0 | 0 | 111 | T98 T100 R107 N142 F143 D144 | T98-D140 HydrophobicContact CG2-CB 4.24Å; T98-D140 PolarHBondContact O-N 2.88Å; T100-D140 WeakPolarHBondContact OG1-CB 3.34Å; T100-D140 PolarHBondContact OG1-OD2 2.94Å; R107-D140 IonicContact NE-OD2 3.67Å; R107-D140 IonicContact NH2-OD2 3.94Å; D140-N142 PolarHBondContact O-N 3.14Å; D140-F143 HydrophobicContact CB-CB 4.18Å; D140-F143 PolarHBondContact O-N 3.26Å; D140-F143 PolarHBondContact OD1-N 3.38Å; D140-D144 PolarHBondContact O-N 3.27Å | ||
| 141 | P | 96.8 | Very high | 93.3 | Very high | 83 Ų | 83 | 74.3 Ų | 74.3 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.6 | -22.3 | -177.3 | 28.5 | -35.7 | 0 | 0 | 0 | 112.9 | P139 F143 D144 A145 | P139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-F143 VanDerWaalsContact C-N 3.33Å; P141-D144 PolarHBondContact O-N 3.15Å; P141-A145 WeakPolarHBondContact O-CB 3.41Å; P141-A145 PolarHBondContact O-N 2.96Å |
| 142 | N | 96.8 | Very high | 92.6 | Very high | 133 Ų | 133 | 79.8 Ų | 79.8 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.4 | -38.9 | 175.3 | -69.2 | -17.9 | 0 | 0 | 0 | 110.5 | D140 A145 L146 | D140-N142 PolarHBondContact O-N 3.14Å; N142-A145 PolarHBondContact O-N 3.5Å; N142-L146 PolarHBondContact O-N 3.13Å |
| 143 | F | 95.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 77.8 Ų | 77.8 | 12% | 0.118 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 175.5 | -157 | -99.5 | 0 | 0 | 0 | 112 | L86 L95 T98 D140 P141 A145 L146 I147 | L86-F143 HydrophobicContact CD2-CE1 3.89Å; L86-F143 HydrophobicContact CD2-CZ 3.66Å; L95-F143 HydrophobicContact CD1-CD1 4.22Å; L95-F143 HydrophobicContact CD1-CE1 3.63Å; T98-F143 HydrophobicContact CG2-CD1 4.06Å; D140-F143 HydrophobicContact CB-CB 4.18Å; D140-F143 PolarHBondContact O-N 3.26Å; D140-F143 PolarHBondContact OD1-N 3.38Å; P141-F143 VanDerWaalsContact C-N 3.33Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 3.43Å; F143-L146 HydrophobicContact CD2-CD2 4.43Å; F143-L146 HydrophobicContact CE2-CD2 4.41Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 PolarHBondContact O-N 3.3Å; F143-I147 HydrophobicContact CD1-CD1 3.67Å; F143-I147 HydrophobicContact CD1-CG1 4.23Å; F143-I147 HydrophobicContact CE1-CD1 3.81Å; F143-I147 HydrophobicContact CE1-CG1 4.23Å; F143-I147 WeakPolarHBondContact O-CG1 3.34Å; F143-I147 PolarHBondContact O-N 3.39Å |
| 144 | D | 94.4 | Very high | 90.7 | Very high | 38 Ų | 38 | 77.3 Ų | 77.3 | 20% | 0.203 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 173.4 | -68.6 | -26.2 | 0 | 0 | 0 | 111.8 | N97 T98 D140 P141 I147 S148 | N97-D144 WeakPolarHBondContact CA-OD2 3.38Å; T98-D144 WeakPolarHBondContact CB-OD1 3.19Å; T98-D144 PolarHBondContact N-OD1 3.2Å; T98-D144 PolarHBondContact N-OD2 3.14Å; T98-D144 VanDerWaalsContact N-OD2 3.13Å; T98-D144 PolarHBondContact OG1-OD1 3.28Å; D140-D144 PolarHBondContact O-N 3.27Å; P141-D144 PolarHBondContact O-N 3.15Å; D144-I147 PolarHBondContact O-N 2.86Å; D144-S148 PolarHBondContact O-N 3.38Å; D144-S148 PolarHBondContact O-OG 3.23Å |
| 145 | A | 93.9 | Very high | 89.6 | Confident | 54 Ų | 54 | 77.1 Ų | 77.1 | 45% | 0.446 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P141 N142 F143 S148 K149 | P141-A145 WeakPolarHBondContact O-CB 3.41Å; P141-A145 PolarHBondContact O-N 2.96Å; N142-A145 PolarHBondContact O-N 3.5Å; F143-A145 VanDerWaalsContact C-N 3.31Å; F143-A145 PolarHBondContact O-N 3.43Å; A145-S148 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CG 3.44Å; A145-K149 PolarHBondContact O-N 3.34Å |
| 146 | L | 91.8 | Very high | 88.6 | Confident | 87 Ų | 87 | 74 Ų | 74 | 46% | 0.455 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 173.7 | 177.9 | 63.3 | 0 | 0 | 0 | 111.2 | N142 F143 S148 K149 I150 | N142-L146 PolarHBondContact O-N 3.13Å; F143-L146 HydrophobicContact CD2-CD2 4.43Å; F143-L146 HydrophobicContact CE2-CD2 4.41Å; F143-L146 WeakPolarHBondContact O-CB 3.15Å; F143-L146 PolarHBondContact O-N 3.3Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.86Å; L146-K149 PolarHBondContact O-N 2.92Å; L146-K149 VanDerWaalsContact O-N 3.09Å; L146-I150 HydrophobicContact CD1-CD1 3.92Å; L146-I150 HydrophobicContact CD1-CG1 4.33Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.47Å |
| 147 | I | 91.1 | Very high | 87.5 | Confident | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.2 | -45.5 | 175 | -70 | 165.4 | 0 | 0 | 0 | 110.3 | L86 M94 L95 F143 D144 K149 I150 Y151 | L86-I147 HydrophobicContact CD2-CG1 3.94Å; M94-I147 HydrophobicContact CG-CG2 4.08Å; M94-I147 HydrophobicContact SD-CG2 3.56Å; M94-I147 VanDerWaalsContact SD-CG2 3.56Å; L95-I147 HydrophobicContact CB-CD1 3.88Å; F143-I147 HydrophobicContact CD1-CD1 3.67Å; F143-I147 HydrophobicContact CD1-CG1 4.23Å; F143-I147 HydrophobicContact CE1-CD1 3.81Å; F143-I147 HydrophobicContact CE1-CG1 4.23Å; F143-I147 WeakPolarHBondContact O-CG1 3.34Å; F143-I147 PolarHBondContact O-N 3.39Å; D144-I147 PolarHBondContact O-N 2.86Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.01Å; I147-I150 PolarHBondContact O-N 3.09Å; I147-Y151 PolarHBondContact O-N 3.33Å |
| 148 | S | 89.8 | Confident | 86.3 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 50% | 0.503 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.7 | -27 | 179.8 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | D144 A145 L146 Y151 P152 | D144-S148 PolarHBondContact O-N 3.38Å; D144-S148 PolarHBondContact O-OG 3.23Å; A145-S148 PolarHBondContact O-N 2.9Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 2.86Å; S148-Y151 CarbonylContact O-C 3.55Å; S148-P152 VanDerWaalsContact O-CA 3.27Å; S148-P152 WeakPolarHBondContact O-CA 3.23Å |
| 149 | K | 88.1 | Confident | 85.3 | Confident | 174 Ų | 174 | 72.7 Ų | 72.7 | 76% | 0.757 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -78.2 | -34.9 | 174.6 | -72.1 | -65.7 | -175.7 | -177.2 | 0 | 112.6 | A145 L146 I147 | A145-K149 WeakPolarHBondContact O-CG 3.44Å; A145-K149 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 2.92Å; L146-K149 VanDerWaalsContact O-N 3.09Å; I147-K149 VanDerWaalsContact C-N 3.26Å; I147-K149 PolarHBondContact O-N 3.01Å |
| 150 | I | 86.4 | Confident | 84.4 | Confident | 62 Ų | 62 | 73.3 Ų | 73.3 | 32% | 0.318 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -77 | -36.6 | 177.4 | -61 | 165.9 | 0 | 0 | 0 | 110.5 | L82 L86 L146 I147 | L82-I150 HydrophobicContact CD1-CD1 4.22Å; L82-I150 HydrophobicContact CD1-CG2 4.02Å; L86-I150 HydrophobicContact CD1-CD1 4.18Å; L86-I150 HydrophobicContact CD1-CG2 4.49Å; L146-I150 HydrophobicContact CD1-CD1 3.92Å; L146-I150 HydrophobicContact CD1-CG1 4.33Å; L146-I150 HydrophobicContact CG-CD1 3.86Å; L146-I150 WeakPolarHBondContact O-CG1 3.32Å; L146-I150 PolarHBondContact O-N 3.47Å; I147-I150 PolarHBondContact O-N 3.09Å |
| 151 | Y | 84.8 | Confident | 83.2 | Confident | 22 Ų | 22 | 76.5 Ų | 76.5 | 9% | 0.086 | 41% | 0.409 | C | S | . | . | trans | -126.3 | 80.8 | 179.1 | -64.3 | -84.4 | 0 | 0 | 0 | 110.8 | P79 L86 M94 I147 S148 S153 | P79-Y151 HydrophobicContact CB-CE1 3.8Å; P79-Y151 WeakPolarHBondContact CB-OH 3.49Å; P79-Y151 PolarHBondContact O-OH 3.25Å; L86-Y151 HydrophobicContact CD1-CD2 4.31Å; L86-Y151 HydrophobicContact CD1-CE2 3.69Å; M94-Y151 HydrophobicContact CE-CD1 4.06Å; M94-Y151 HydrophobicContact CE-CD2 3.67Å; M94-Y151 HydrophobicContact CE-CE1 4.16Å; M94-Y151 HydrophobicContact CE-CE2 3.8Å; M94-Y151 HydrophobicContact CE-CG 3.81Å; M94-Y151 HydrophobicContact SD-CD2 4.05Å; M94-Y151 HydrophobicContact SD-CG 4.32Å; I147-Y151 PolarHBondContact O-N 3.33Å; S148-Y151 CarbonylContact O-C 3.55Å; Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.02Å | ||
| 152 | P | 79.3 | Confident | 82.5 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 74% | 0.74 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -34.7 | -176.6 | -23.9 | 34.6 | 0 | 0 | 0 | 114.5 | S148 | S148-P152 VanDerWaalsContact O-CA 3.27Å; S148-P152 WeakPolarHBondContact O-CA 3.23Å |
| 153 | S | 74.9 | Confident | 81.8 | Confident | 55 Ų | 55 | 79.6 Ų | 79.6 | 39% | 0.385 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | 73.6 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 111.3 | Y151 D155 E156 Y157 | Y151-S153 VanDerWaalsContact C-N 3.34Å; Y151-S153 PolarHBondContact O-N 3.02Å; S153-D155 VanDerWaalsContact C-N 3.35Å; S153-D155 PolarHBondContact O-N 3.41Å; S153-E156 WeakPolarHBondContact CB-OE2 3.27Å; S153-E156 PolarHBondContact O-N 3.44Å; S153-E156 PolarHBondContact OG-OE2 2.84Å; S153-Y157 PolarHBondContact O-N 3.12Å; S153-Y157 VanDerWaalsContact O-N 3.11Å |
| 154 | R | 69.9 | Low | 81.1 | Confident | 38 Ų | 38 | 80.9 Ų | 80.9 | 14% | 0.143 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -58.3 | -43.5 | 178.8 | 179.9 | 164.4 | 179.1 | 166.5 | 4 | 113.2 | D93 M94 L95 E156 Y157 E158 | D93-R154 IonicContact OD1-NH2 3.75Å; D93-R154 IonicContact OD2-NH2 3.01Å; M94-R154 VanDerWaalsContact C-NH2 3.33Å; M94-R154 VanDerWaalsContact CB-NH2 3.31Å; M94-R154 PolarHBondContact O-NH1 3.05Å; M94-R154 PolarHBondContact O-NH2 3.39Å; M94-R154 HydrophobicContact SD-CG 4.49Å; L95-R154 PolarHBondContact O-NH1 3.02Å; R154-E156 VanDerWaalsContact C-N 3.27Å; R154-E156 PolarHBondContact O-N 2.94Å; R154-Y157 PolarHBondContact O-N 3.28Å; R154-Y157 VanDerWaalsContact O-N 3.16Å; R154-E158 HydrophobicContact CG-CG 4.36Å; R154-E158 IonicContact CZ-OE1 3.99Å; R154-E158 IonicContact NE-OE1 2.64Å; R154-E158 PolarHBondContact NE-OE1 3.24Å; R154-E158 IonicContact NH2-OE1 2.8Å; R154-E158 PolarHBondContact NH2-OE1 3.44Å; R154-E158 PolarHBondContact O-N 3.15Å |
| 155 | D | 68.8 | Low | 80.5 | Confident | 127 Ų | 127 | 85 Ų | 85 | 68% | 0.679 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.8 | -34 | -179.1 | -62.8 | -24.1 | 0 | 0 | 0 | 111.6 | S153 A159 | S153-D155 VanDerWaalsContact C-N 3.35Å; S153-D155 PolarHBondContact O-N 3.41Å; D155-A159 WeakPolarHBondContact O-CB 3.18Å; D155-A159 PolarHBondContact O-N 2.95Å |
| 156 | E | 73.9 | Confident | 79.8 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 64% | 0.64 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -69.8 | -38.6 | 174.6 | -66 | -180 | 167.9 | 0 | 0 | 111.6 | S153 R154 H160 | S153-E156 WeakPolarHBondContact CB-OE2 3.27Å; S153-E156 PolarHBondContact O-N 3.44Å; S153-E156 PolarHBondContact OG-OE2 2.84Å; R154-E156 VanDerWaalsContact C-N 3.27Å; R154-E156 PolarHBondContact O-N 2.94Å; E156-H160 WeakPolarHBondContact O-CB 3.44Å; E156-H160 PolarHBondContact O-N 3.08Å |
| 157 | Y | 70 | Confident | 79.2 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 31% | 0.314 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.4 | -47 | 176.2 | -173.4 | -100.8 | 0 | 0 | 0 | 111.9 | S153 R154 H160 Q161 | S153-Y157 PolarHBondContact O-N 3.12Å; S153-Y157 VanDerWaalsContact O-N 3.11Å; R154-Y157 PolarHBondContact O-N 3.28Å; R154-Y157 VanDerWaalsContact O-N 3.16Å; Y157-H160 PolarHBondContact O-N 3.16Å; Y157-Q161 HydrophobicContact CE1-CG 4.21Å; Y157-Q161 PolarHBondContact O-N 3.45Å |
| 158 | E | 73.2 | Confident | 78.5 | Confident | 48 Ų | 48 | 91.9 Ų | 91.9 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.4 | -75.7 | -177.8 | -165.1 | 0 | 0 | 110.3 | K96 R154 H160 Q161 E162 | K96-E158 VanDerWaalsContact CE-OE1 3.29Å; K96-E158 WeakPolarHBondContact CE-OE1 3.41Å; K96-E158 IonicContact NZ-OE1 3.68Å; K96-E158 PolarHBondContact NZ-OE1 3.37Å; K96-E158 IonicContact NZ-OE2 3.06Å; K96-E158 PolarHBondContact NZ-OE2 2.81Å; R154-E158 HydrophobicContact CG-CG 4.36Å; R154-E158 IonicContact CZ-OE1 3.99Å; R154-E158 IonicContact NE-OE1 2.64Å; R154-E158 PolarHBondContact NE-OE1 3.24Å; R154-E158 IonicContact NH2-OE1 2.8Å; R154-E158 PolarHBondContact NH2-OE1 3.44Å; R154-E158 PolarHBondContact O-N 3.15Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.36Å; E158-Q161 PolarHBondContact O-N 2.84Å; E158-E162 WeakPolarHBondContact O-CB 3.34Å; E158-E162 PolarHBondContact O-N 3.44Å |
| 159 | A | 76.4 | Confident | 77.8 | Confident | 37 Ų | 37 | 91.3 Ų | 91.3 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.3 | -32.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D155 R163 | D155-A159 WeakPolarHBondContact O-CB 3.18Å; D155-A159 PolarHBondContact O-N 2.95Å; A159-R163 VanDerWaalsContact O-CB 3.23Å; A159-R163 WeakPolarHBondContact O-CB 3.25Å; A159-R163 PolarHBondContact O-N 3.47Å; A159-R163 PolarHBondContact O-NH1 2.93Å |
| 160 | H | 77.4 | Confident | 76.9 | Confident | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.519 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.6 | -46 | 174.1 | -170.3 | 89.4 | 0 | 0 | 0 | 111.4 | E156 Y157 E158 R163 V164 | E156-H160 WeakPolarHBondContact O-CB 3.44Å; E156-H160 PolarHBondContact O-N 3.08Å; Y157-H160 PolarHBondContact O-N 3.16Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 PolarHBondContact O-N 3.36Å; H160-R163 PolarHBondContact O-N 2.83Å; H160-V164 WeakPolarHBondContact O-CG2 3.33Å; H160-V164 PolarHBondContact O-N 3.33Å |
| 161 | Q | 73.5 | Confident | 75.9 | Confident | 99 Ų | 99 | 94.6 Ų | 94.6 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 174.6 | -76.2 | -169.7 | -94.2 | 0 | 0 | 111.6 | Y157 E158 R163 V164 L165 | Y157-Q161 HydrophobicContact CE1-CG 4.21Å; Y157-Q161 PolarHBondContact O-N 3.45Å; E158-Q161 PolarHBondContact O-N 2.84Å; Q161-R163 VanDerWaalsContact C-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.37Å; Q161-V164 PolarHBondContact O-N 2.74Å; Q161-L165 WeakPolarHBondContact O-CB 3.32Å; Q161-L165 PolarHBondContact O-N 3.18Å |
| 162 | E | 81.5 | Confident | 74.9 | Confident | 142 Ų | 142 | 99.1 Ų | 99.1 | 66% | 0.664 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.4 | -42.2 | 178.6 | -170.9 | 176.9 | -164.3 | 0 | 0 | 111.3 | E158 V164 L165 A166 | E158-E162 WeakPolarHBondContact O-CB 3.34Å; E158-E162 PolarHBondContact O-N 3.44Å; E162-V164 PolarHBondContact O-N 2.82Å; E162-L165 PolarHBondContact O-N 3.13Å; E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 3Å |
| 163 | R | 82.7 | Confident | 74.4 | Confident | 139 Ų | 139 | 98.9 Ų | 98.9 | 53% | 0.525 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 176.5 | -171.1 | -177.1 | -63.1 | 103.9 | -1.9 | 112.5 | A159 H160 Q161 R167 | A159-R163 VanDerWaalsContact O-CB 3.23Å; A159-R163 WeakPolarHBondContact O-CB 3.25Å; A159-R163 PolarHBondContact O-N 3.47Å; A159-R163 PolarHBondContact O-NH1 2.93Å; H160-R163 PolarHBondContact O-N 2.83Å; Q161-R163 VanDerWaalsContact C-N 3.33Å; Q161-R163 PolarHBondContact O-N 3.37Å; R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.42Å; R163-R167 VanDerWaalsContact O-N 3.08Å |
| 164 | V | 82.1 | Confident | 74 | Confident | 55 Ų | 55 | 102.9 Ų | 102.9 | 33% | 0.333 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.1 | -45.5 | 177 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | H160 Q161 E162 A166 R167 I168 | H160-V164 WeakPolarHBondContact O-CG2 3.33Å; H160-V164 PolarHBondContact O-N 3.33Å; Q161-V164 PolarHBondContact O-N 2.74Å; E162-V164 PolarHBondContact O-N 2.82Å; V164-A166 PolarHBondContact O-N 3.44Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-R167 VanDerWaalsContact O-N 3.16Å; V164-I168 HydrophobicContact CG1-CD1 3.98Å; V164-I168 WeakPolarHBondContact O-CG1 3.26Å; V164-I168 PolarHBondContact O-N 2.94Å |
| 165 | L | 80.1 | Confident | 73.8 | Confident | 125 Ų | 125 | 109 Ų | 109 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.2 | -42.9 | 178.1 | -161.9 | 83.6 | 0 | 0 | 0 | 111.3 | Q161 E162 R167 I168 S169 | Q161-L165 WeakPolarHBondContact O-CB 3.32Å; Q161-L165 PolarHBondContact O-N 3.18Å; E162-L165 PolarHBondContact O-N 3.13Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 2.96Å; L165-I168 PolarHBondContact O-N 3.44Å; L165-S169 WeakPolarHBondContact O-CB 3.35Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 PolarHBondContact O-OG 3.43Å |
| 166 | A | 81.1 | Confident | 74 | Confident | 51 Ų | 51 | 105.1 Ų | 105.1 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -34.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E162 V164 S169 K170 | E162-A166 WeakPolarHBondContact O-CB 3.49Å; E162-A166 PolarHBondContact O-N 3Å; V164-A166 PolarHBondContact O-N 3.44Å; A166-S169 WeakPolarHBondContact CA-OG 3.17Å; A166-S169 PolarHBondContact O-OG 3.08Å; A166-S169 VanDerWaalsContact O-OG 3.09Å; A166-K170 WeakPolarHBondContact O-CB 3.11Å; A166-K170 PolarHBondContact O-N 3.45Å; A166-K170 VanDerWaalsContact O-N 3.1Å |
| 167 | R | 78.9 | Confident | 74.2 | Confident | 139 Ų | 139 | 103.7 Ų | 103.7 | 53% | 0.525 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.5 | -45.3 | 172.8 | -172.8 | 179.2 | -65.1 | 149.6 | -0.6 | 110.9 | R163 V164 L165 K170 H171 | R163-R167 WeakPolarHBondContact O-CB 3.41Å; R163-R167 PolarHBondContact O-N 3.42Å; R163-R167 VanDerWaalsContact O-N 3.08Å; V164-R167 WeakPolarHBondContact O-CB 3.46Å; V164-R167 PolarHBondContact O-N 2.86Å; V164-R167 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.29Å; L165-R167 PolarHBondContact O-N 2.96Å; R167-K170 PolarHBondContact O-N 2.99Å; R167-H171 PolarHBondContact O-CD2 3.35Å; R167-H171 PolarHBondContact O-N 2.94Å; R167-H171 VanDerWaalsContact O-N 3.08Å |
| 168 | I | 76.6 | Confident | 74.6 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 52% | 0.523 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 178.4 | -66.3 | 167.7 | 0 | 0 | 0 | 110.7 | V164 L165 K170 H171 N172 | V164-I168 HydrophobicContact CG1-CD1 3.98Å; V164-I168 WeakPolarHBondContact O-CG1 3.26Å; V164-I168 PolarHBondContact O-N 2.94Å; L165-I168 PolarHBondContact O-N 3.44Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 3.22Å; I168-H171 PolarHBondContact O-N 2.84Å; I168-H171 VanDerWaalsContact O-N 3.16Å; I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 2.77Å |
| 169 | S | 74.1 | Confident | 74.9 | Confident | 60 Ų | 60 | 106.4 Ų | 106.4 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.3 | -35.9 | 178.9 | 69.7 | 0 | 0 | 0 | 0 | 112.3 | L165 A166 N172 | L165-S169 WeakPolarHBondContact O-CB 3.35Å; L165-S169 PolarHBondContact O-N 3.08Å; L165-S169 PolarHBondContact O-OG 3.43Å; A166-S169 WeakPolarHBondContact CA-OG 3.17Å; A166-S169 PolarHBondContact O-OG 3.08Å; A166-S169 VanDerWaalsContact O-OG 3.09Å; S169-N172 PolarHBondContact O-N 2.91Å |
| 170 | K | 69.9 | Low | 75.3 | Confident | 179 Ų | 179 | 108.3 Ų | 108.3 | 78% | 0.778 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -68.8 | -33.1 | 175.8 | -172 | 178.2 | -178.8 | -177.1 | 0 | 113.3 | A166 R167 I168 | A166-K170 WeakPolarHBondContact O-CB 3.11Å; A166-K170 PolarHBondContact O-N 3.45Å; A166-K170 VanDerWaalsContact O-N 3.1Å; R167-K170 PolarHBondContact O-N 2.99Å; I168-K170 VanDerWaalsContact C-N 3.27Å; I168-K170 PolarHBondContact O-N 3.22Å |
| 171 | H | 64.8 | Low | 75.8 | Confident | 126 Ų | 126 | 107.5 Ų | 107.5 | 58% | 0.583 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -87.3 | -14.9 | 177.4 | -81.4 | -103.6 | 0 | 0 | 0 | 113.2 | R167 I168 E327 | R167-H171 PolarHBondContact O-CD2 3.35Å; R167-H171 PolarHBondContact O-N 2.94Å; R167-H171 VanDerWaalsContact O-N 3.08Å; I168-H171 PolarHBondContact O-N 2.84Å; I168-H171 VanDerWaalsContact O-N 3.16Å; H171-E327 IonicContact CE1-OE1 3.02Å; H171-E327 PolarHBondContact CE1-OE1 2.99Å; H171-E327 IonicContact ND1-OE1 3.35Å; H171-E327 IonicContact NE2-OE1 3.95Å |
| 172 | N | 64.6 | Low | 76.5 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -76.6 | 141.8 | 173.4 | -147.1 | -7.8 | 0 | 0 | 0 | 109.5 | I168 S169 Q174 | I168-N172 WeakPolarHBondContact O-CB 3.43Å; I168-N172 PolarHBondContact O-N 2.77Å; S169-N172 PolarHBondContact O-N 2.91Å; N172-Q174 PolarHBondContact O-N 3.15Å |
| 173 | N | 68.3 | Low | 76.7 | Confident | 109 Ų | 109 | 106 Ų | 106 | 58% | 0.583 | 54% | 0.54 | S | S | * | . | trans | -75.2 | 43.4 | -166.6 | -163 | 9.5 | 0 | 0 | 0 | 113.8 | Q175 A176 L177 | N173-Q175 PolarHBondContact O-N 3.16Å; N173-A176 VanDerWaalsContact CG-CB 3.42Å; N173-A176 WeakPolarHBondContact ND2-CB 3.5Å; N173-A176 PolarHBondContact O-N 2.8Å; N173-A176 WeakPolarHBondContact OD1-CB 3.48Å; N173-A176 PolarHBondContact OD1-N 2.74Å; N173-L177 PolarHBondContact O-N 2.87Å | ||
| 174 | Q | 65.8 | Low | 76.9 | Confident | 138 Ų | 138 | 100.6 Ų | 100.6 | 65% | 0.645 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61 | -33 | -176.7 | -170 | 159.2 | 41 | 0 | 0 | 111.4 | N172 S178 | N172-Q174 PolarHBondContact O-N 3.15Å; Q174-S178 WeakPolarHBondContact O-CB 3.19Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.87Å |
| 175 | Q | 66.5 | Low | 77.3 | Confident | 168 Ų | 168 | 103.3 Ų | 103.3 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.2 | -41.9 | 177.7 | -68.4 | -177.1 | -4 | 0 | 0 | 113.1 | N173 S178 H179 | N173-Q175 PolarHBondContact O-N 3.16Å; Q175-S178 WeakPolarHBondContact CA-OG 3.25Å; Q175-S178 PolarHBondContact O-OG 3.11Å; Q175-H179 WeakPolarHBondContact O-CB 3.4Å; Q175-H179 PolarHBondContact O-N 3.37Å |
| 176 | A | 72.8 | Confident | 77.8 | Confident | 44 Ų | 44 | 102.4 Ų | 102.4 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -75 | -32.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N173 H179 S180 | N173-A176 VanDerWaalsContact CG-CB 3.42Å; N173-A176 WeakPolarHBondContact ND2-CB 3.5Å; N173-A176 PolarHBondContact O-N 2.8Å; N173-A176 WeakPolarHBondContact OD1-CB 3.48Å; N173-A176 PolarHBondContact OD1-N 2.74Å; A176-H179 PolarHBondContact O-N 3.34Å; A176-S180 VanDerWaalsContact O-CB 3.3Å; A176-S180 WeakPolarHBondContact O-CB 3.39Å; A176-S180 PolarHBondContact O-N 3.43Å |
| 177 | L | 78.1 | Confident | 77.9 | Confident | 108 Ų | 108 | 104.7 Ų | 104.7 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.8 | -46.9 | 172.6 | -178.5 | 60.9 | 0 | 0 | 0 | 110.9 | N173 H179 S180 I181 | N173-L177 PolarHBondContact O-N 2.87Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.93Å; L177-S180 PolarHBondContact O-N 2.85Å; L177-I181 HydrophobicContact CD1-CD1 3.93Å; L177-I181 HydrophobicContact CD1-CG1 4.25Å; L177-I181 HydrophobicContact CG-CD1 3.86Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.48Å; L177-I181 PolarHBondContact O-N 3.01Å |
| 178 | S | 78.3 | Confident | 78.3 | Confident | 67 Ų | 67 | 103.6 Ų | 103.6 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.6 | 57.2 | 0 | 0 | 0 | 0 | 112.3 | Q174 Q175 I181 E182 | Q174-S178 WeakPolarHBondContact O-CB 3.19Å; Q174-S178 PolarHBondContact O-N 3.38Å; Q174-S178 PolarHBondContact O-OG 2.87Å; Q175-S178 WeakPolarHBondContact CA-OG 3.25Å; Q175-S178 PolarHBondContact O-OG 3.11Å; S178-I181 PolarHBondContact O-N 2.67Å; S178-E182 WeakPolarHBondContact O-CB 3.46Å; S178-E182 PolarHBondContact O-N 3.36Å |
| 179 | H | 80.2 | Confident | 78.7 | Confident | 118 Ų | 118 | 101.1 Ų | 101.1 | 55% | 0.546 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 178.1 | -172.5 | -83 | 0 | 0 | 0 | 112.2 | Q175 A176 L177 E183 | Q175-H179 WeakPolarHBondContact O-CB 3.4Å; Q175-H179 PolarHBondContact O-N 3.37Å; A176-H179 PolarHBondContact O-N 3.34Å; L177-H179 VanDerWaalsContact C-N 3.32Å; L177-H179 PolarHBondContact O-N 2.93Å; H179-E183 WeakPolarHBondContact O-CB 3.09Å; H179-E183 PolarHBondContact O-N 2.86Å |
| 180 | S | 84.7 | Confident | 79.1 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 53% | 0.531 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.8 | -174.3 | 0 | 0 | 0 | 0 | 112 | A176 L177 G184 | A176-S180 VanDerWaalsContact O-CB 3.3Å; A176-S180 WeakPolarHBondContact O-CB 3.39Å; A176-S180 PolarHBondContact O-N 3.43Å; L177-S180 PolarHBondContact O-N 2.85Å; S180-G184 PolarHBondContact O-N 2.82Å |
| 181 | I | 86.5 | Confident | 79.4 | Confident | 96 Ų | 96 | 97.5 Ų | 97.5 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 177.3 | -67.8 | 167.9 | 0 | 0 | 0 | 110.9 | L177 S178 G184 L185 | L177-I181 HydrophobicContact CD1-CD1 3.93Å; L177-I181 HydrophobicContact CD1-CG1 4.25Å; L177-I181 HydrophobicContact CG-CD1 3.86Å; L177-I181 VanDerWaalsContact O-CG1 3.28Å; L177-I181 WeakPolarHBondContact O-CG1 3.48Å; L177-I181 PolarHBondContact O-N 3.01Å; S178-I181 PolarHBondContact O-N 2.67Å; I181-G184 PolarHBondContact O-N 3.2Å; I181-L185 HydrophobicContact CG2-CD1 4.01Å; I181-L185 PolarHBondContact O-N 3.46Å |
| 182 | E | 89.1 | Confident | 80.2 | Confident | 135 Ų | 135 | 100.8 Ų | 100.8 | 63% | 0.631 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64 | -45.6 | 178.9 | -176.6 | 166.5 | -132.1 | 0 | 0 | 112.1 | S178 G184 L185 K186 | S178-E182 WeakPolarHBondContact O-CB 3.46Å; S178-E182 PolarHBondContact O-N 3.36Å; E182-G184 VanDerWaalsContact C-N 3.34Å; E182-G184 PolarHBondContact O-N 3.4Å; E182-L185 PolarHBondContact O-N 3.29Å; E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.14Å |
| 183 | E | 84.9 | Confident | 80.4 | Confident | 74 Ų | 74 | 101.7 Ų | 101.7 | 35% | 0.346 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 174.7 | -82.2 | -69.9 | 133.1 | 0 | 0 | 111.7 | H179 K186 I187 | H179-E183 WeakPolarHBondContact O-CB 3.09Å; H179-E183 PolarHBondContact O-N 2.86Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.22Å; E183-K186 IonicContact OE1-NZ 3.54Å; E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.89Å |
| 184 | G | 88.8 | Confident | 80.2 | Confident | 26 Ų | 26 | 103.1 Ų | 103.1 | 27% | 0.268 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | S180 I181 E182 K186 I187 Q188 | S180-G184 PolarHBondContact O-N 2.82Å; I181-G184 PolarHBondContact O-N 3.2Å; E182-G184 VanDerWaalsContact C-N 3.34Å; E182-G184 PolarHBondContact O-N 3.4Å; G184-K186 VanDerWaalsContact C-N 3.31Å; G184-K186 PolarHBondContact O-N 2.95Å; G184-I187 PolarHBondContact O-N 3.46Å; G184-Q188 VanDerWaalsContact O-CG 3.27Å; G184-Q188 WeakPolarHBondContact O-CG 3.31Å; G184-Q188 PolarHBondContact O-N 3.1Å |
| 185 | L | 90.5 | Very high | 79.9 | Confident | 111 Ų | 111 | 106.3 Ų | 106.3 | 58% | 0.581 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -59.4 | -42.1 | 174.4 | -92.7 | 152.8 | 0 | 0 | 0 | 111.8 | I181 E182 Q188 A189 | I181-L185 HydrophobicContact CG2-CD1 4.01Å; I181-L185 PolarHBondContact O-N 3.46Å; E182-L185 PolarHBondContact O-N 3.29Å; L185-Q188 PolarHBondContact O-N 2.93Å; L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 2.8Å |
| 186 | K | 90.1 | Very high | 79.4 | Confident | 107 Ų | 107 | 101.2 Ų | 101.2 | 47% | 0.465 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 179.5 | -159.1 | -172.8 | -177.8 | 174.6 | 0 | 111.7 | E182 E183 G184 Q188 A189 M190 | E182-K186 WeakPolarHBondContact O-CB 3.47Å; E182-K186 PolarHBondContact O-N 3.14Å; E183-K186 WeakPolarHBondContact O-CB 3.3Å; E183-K186 PolarHBondContact O-N 3.22Å; E183-K186 IonicContact OE1-NZ 3.54Å; G184-K186 VanDerWaalsContact C-N 3.31Å; G184-K186 PolarHBondContact O-N 2.95Å; K186-Q188 VanDerWaalsContact C-N 3.35Å; K186-Q188 PolarHBondContact O-N 3.21Å; K186-A189 PolarHBondContact O-N 2.86Å; K186-M190 HydrophobicContact CD-CE 3.87Å; K186-M190 HydrophobicContact CG-CE 3.63Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.48Å; K186-M190 PolarHBondContact O-N 3.37Å |
| 187 | I | 83.5 | Confident | 78.5 | Confident | 98 Ų | 98 | 107.5 Ų | 107.5 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 176.9 | -68.4 | 165 | 0 | 0 | 0 | 110.8 | E183 G184 A189 M190 T191 | E183-I187 VanDerWaalsContact O-CG1 3.26Å; E183-I187 WeakPolarHBondContact O-CG1 3.4Å; E183-I187 PolarHBondContact O-N 2.89Å; G184-I187 PolarHBondContact O-N 3.46Å; I187-A189 PolarHBondContact O-N 2.9Å; I187-M190 PolarHBondContact O-N 3.38Å; I187-T191 WeakPolarHBondContact O-CB 3.15Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 3.49Å |
| 188 | Q | 86.1 | Confident | 77.2 | Confident | 116 Ų | 116 | 113.1 Ų | 113.1 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.9 | -41.1 | 175.5 | -70.7 | 176.7 | 29 | 0 | 0 | 111.8 | G184 L185 K186 T191 R192 | G184-Q188 VanDerWaalsContact O-CG 3.27Å; G184-Q188 WeakPolarHBondContact O-CG 3.31Å; G184-Q188 PolarHBondContact O-N 3.1Å; L185-Q188 PolarHBondContact O-N 2.93Å; K186-Q188 VanDerWaalsContact C-N 3.35Å; K186-Q188 PolarHBondContact O-N 3.21Å; Q188-T191 PolarHBondContact O-N 2.74Å; Q188-R192 WeakPolarHBondContact O-CG 3.07Å; Q188-R192 PolarHBondContact O-N 3.36Å; Q188-R192 VanDerWaalsContact O-N 3.08Å |
| 189 | A | 86.1 | Confident | 75.8 | Confident | 51 Ų | 51 | 118.5 Ų | 118.5 | 42% | 0.421 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -43.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L185 K186 I187 T191 R192 L193 | L185-A189 WeakPolarHBondContact O-CB 3.27Å; L185-A189 PolarHBondContact O-N 2.8Å; K186-A189 PolarHBondContact O-N 2.86Å; I187-A189 PolarHBondContact O-N 2.9Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 2.71Å; A189-R192 PolarHBondContact O-N 2.79Å; A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.03Å |
| 190 | M | 81.2 | Confident | 74.2 | Confident | 94 Ų | 94 | 118.4 Ų | 118.4 | 46% | 0.463 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.3 | -39.5 | 176.1 | -66.6 | -168.3 | -150.5 | 0 | 0 | 112.2 | K186 I187 R192 L193 Q194 | K186-M190 HydrophobicContact CD-CE 3.87Å; K186-M190 HydrophobicContact CG-CE 3.63Å; K186-M190 VanDerWaalsContact O-CG 3.32Å; K186-M190 WeakPolarHBondContact O-CG 3.48Å; K186-M190 PolarHBondContact O-N 3.37Å; I187-M190 PolarHBondContact O-N 3.38Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 2.87Å; M190-L193 PolarHBondContact O-N 3.02Å; M190-Q194 WeakPolarHBondContact O-CG 3.2Å; M190-Q194 PolarHBondContact O-N 3.06Å; M190-Q194 VanDerWaalsContact O-N 3.08Å |
| 191 | T | 77.1 | Confident | 72.5 | Confident | 69 Ų | 69 | 121 Ų | 121 | 42% | 0.423 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.2 | -35.2 | 179 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | I187 Q188 A189 Q194 R195 | I187-T191 WeakPolarHBondContact O-CB 3.15Å; I187-T191 PolarHBondContact O-N 2.94Å; I187-T191 PolarHBondContact O-OG1 3.49Å; Q188-T191 PolarHBondContact O-N 2.74Å; A189-T191 VanDerWaalsContact C-N 3.34Å; A189-T191 PolarHBondContact O-N 2.71Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-R195 PolarHBondContact O-N 3.44Å; T191-R195 VanDerWaalsContact O-N 3.15Å |
| 192 | R | 80.1 | Confident | 70.4 | Confident | 195 Ų | 195 | 125.3 Ų | 125.3 | 74% | 0.736 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -63.6 | -42.2 | 172.9 | -73.5 | 176.7 | -176.6 | -153 | 2.1 | 111.9 | Q188 A189 M190 R195 G196 | Q188-R192 WeakPolarHBondContact O-CG 3.07Å; Q188-R192 PolarHBondContact O-N 3.36Å; Q188-R192 VanDerWaalsContact O-N 3.08Å; A189-R192 PolarHBondContact O-N 2.79Å; M190-R192 VanDerWaalsContact C-N 3.34Å; M190-R192 PolarHBondContact O-N 2.87Å; R192-R195 PolarHBondContact O-N 3.45Å; R192-G196 PolarHBondContact O-N 3.47Å |
| 193 | L | 70.8 | Confident | 67.9 | Low | 136 Ų | 136 | 127.2 Ų | 127.2 | 71% | 0.712 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -35.3 | 178.3 | -69.4 | 167.8 | 0 | 0 | 0 | 112.7 | A189 M190 | A189-L193 WeakPolarHBondContact O-CG 3.29Å; A189-L193 PolarHBondContact O-N 3.03Å; M190-L193 PolarHBondContact O-N 3.02Å |
| 194 | Q | 64 | Low | 65.5 | Low | 139 Ų | 139 | 127 Ų | 127 | 65% | 0.65 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -73 | -33.4 | 177.5 | -71.2 | -179.7 | 3.9 | 0 | 0 | 113 | M190 T191 G196 K197 | M190-Q194 WeakPolarHBondContact O-CG 3.2Å; M190-Q194 PolarHBondContact O-N 3.06Å; M190-Q194 VanDerWaalsContact O-N 3.08Å; T191-Q194 PolarHBondContact O-N 2.99Å; Q194-G196 VanDerWaalsContact C-N 3.34Å; Q194-K197 PolarHBondContact O-N 3.09Å |
| 195 | R | 58.3 | Low | 63.1 | Low | 205 Ų | 205 | 131.8 Ų | 131.8 | 77% | 0.774 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.6 | -33.3 | 174.4 | -105.8 | 177.1 | 151.1 | 151.6 | -6.5 | 112.9 | T191 R192 K197 | T191-R195 PolarHBondContact O-N 3.44Å; T191-R195 VanDerWaalsContact O-N 3.15Å; R192-R195 PolarHBondContact O-N 3.45Å; R195-K197 PolarHBondContact O-N 2.78Å |
| 196 | G | 56.5 | Low | 60.4 | Low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -17.4 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | R192 Q194 | R192-G196 PolarHBondContact O-N 3.47Å; Q194-G196 VanDerWaalsContact C-N 3.34Å |
| 197 | K | 54 | Low | 58 | Low | 176 Ų | 176 | 129.2 Ų | 129.2 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | -3.9 | -176 | -155.1 | 156.3 | -177.1 | 173.5 | 0 | 114.4 | Q194 R195 | Q194-K197 PolarHBondContact O-N 3.09Å; R195-K197 PolarHBondContact O-N 2.78Å |
| 198 | R | 49.4 | Very low | 56 | Low | 226 Ų | 226 | 133.3 Ų | 133.3 | 85% | 0.853 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -89.2 | -5.1 | 174.7 | -76.9 | -171.7 | 178.7 | 172.6 | 0.9 | 114.1 | ||
| 199 | H | 49.1 | Very low | 53.7 | Low | 180 Ų | 180 | 134.1 Ų | 134.1 | 83% | 0.833 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 13.2 | -176.8 | -131.5 | -70.5 | 0 | 0 | 0 | 114.7 | ||
| 200 | T | 47.3 | Very low | 51.5 | Low | 117 Ų | 117 | 139.2 Ų | 139.2 | 72% | 0.718 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | 11.9 | -176.6 | -18.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 201 | V | 48 | Very low | 49.6 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -138.3 | 79.9 | 174 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 202 | E | 43.3 | Very low | 47.4 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | 164.5 | 90.9 | 143.5 | -91.2 | -169.8 | 162.5 | 0 | 0 | 107.1 | ||||
| 203 | N | 35.9 | Very low | 45.8 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 94% | 0.936 | 78% | 0.781 | S | S | * | * | trans | -136.3 | 92 | 163.7 | -137.8 | 36.6 | 0 | 0 | 0 | 107.9 | ||||
| 204 | G | 35.6 | Very low | 44.6 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -112.7 | 101.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 205 | S | 37.8 | Very low | 43.4 | Very low | 128 Ų | 128 | 138.9 Ų | 138.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 72.8 | 121.4 | 143.2 | -48.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 206 | G | 33.3 | Very low | 42.2 | Very low | 72 Ų | 72 | 134.5 Ų | 134.5 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | trans | 116.1 | 94 | 160.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 207 | A | 41.3 | Very low | 41.3 | Very low | 91 Ų | 91 | 136.4 Ų | 136.4 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 52.8 | 119.6 | 70 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 208 | E | 40.3 | Very low | 40.3 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | cis | -159.9 | 153.4 | 23.2 | -58.9 | 179.9 | 159.9 | 0 | 0 | 110.2 | ||||
| 209 | D | 38.2 | Very low | 39.3 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | 33.3 | 118.2 | 140.9 | -158.6 | 27.4 | 0 | 0 | 0 | 121.3 | ||||
| 210 | N | 40.2 | Very low | 38.6 | Very low | 158 Ų | 158 | 125.2 Ų | 125.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | -169.3 | 115.7 | 119.5 | -93 | -50.4 | 0 | 0 | 0 | 108.9 | |||||
| 211 | G | 41.9 | Very low | 37.9 | Very low | 70 Ų | 70 | 125.1 Ų | 125.1 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -72.3 | 148.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 212 | D | 29.4 | Very low | 37.2 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -155.7 | 137.3 | 135.9 | -160.9 | 4 | 0 | 0 | 0 | 110.4 | ||||
| 213 | S | 46.4 | Very low | 36.8 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -93.4 | 119.4 | 174.6 | -61.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 214 | S | 45.9 | Very low | 36.6 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -157.5 | 109.5 | 152.9 | 64.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 215 | H | 39.1 | Very low | 36.4 | Very low | 178 Ų | 178 | 126.3 Ų | 126.3 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -50.3 | 129 | 150.1 | 166.8 | -74.5 | 0 | 0 | 0 | 111.7 | ||||
| 216 | C | 32.7 | Very low | 36.1 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | -176.9 | 144 | 123.4 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 217 | S | 37.1 | Very low | 36 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | trans | -76.7 | 159.4 | 174.9 | -49.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 218 | N | 33.4 | Very low | 35.3 | Very low | 159 Ų | 159 | 128.9 Ų | 128.9 | 85% | 0.85 | 77% | 0.771 | S | S | * | * | trans | 86.9 | 131 | 137.4 | -98.5 | 13.9 | 0 | 0 | 0 | 121.2 | ||||
| 219 | A | 29.8 | Very low | 35.2 | Very low | 89 Ų | 89 | 126.1 Ų | 126.1 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | 79.2 | 136.8 | 146.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 220 | S | 32.7 | Very low | 34.8 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | cis | 177.1 | 144.5 | -1.2 | 44.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 221 | V | 34.6 | Very low | 34.6 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | trans | 55.8 | 119.8 | 153.1 | -114 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 222 | H | 33.1 | Very low | 34.3 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | 162.4 | 130.9 | 101.4 | -94.6 | -64.5 | 0 | 0 | 0 | 115.2 | |||||
| 223 | S | 34.6 | Very low | 34.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | trans | 64.3 | 115.6 | 142.9 | -66.5 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 224 | N | 30.8 | Very low | 33.4 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 79.5 | 132.9 | 126.3 | -76 | -4.6 | 0 | 0 | 0 | 126.3 | |||||
| 225 | Q | 32.5 | Very low | 32.8 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 72.7 | 130.6 | 159.3 | -70.1 | 165.6 | 5.4 | 0 | 0 | 115.3 | ||||
| 226 | E | 30.8 | Very low | 32.4 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | cis | -172.9 | 160.4 | 48.7 | -150.3 | -179.4 | 130.3 | 0 | 0 | 112 | ||||
| 227 | A | 31.8 | Very low | 32.5 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | 65.3 | 129.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 228 | G | 26.6 | Very low | 32.2 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -75.2 | -162.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 229 | P | 36.8 | Very low | 32.3 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | cis | -140.9 | 152.8 | 33.3 | 38.1 | -17.5 | 0 | 0 | 0 | 118.8 | ||||
| 230 | S | 30.9 | Very low | 32.7 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | trans | 30.4 | 113.1 | 135.7 | -163.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 231 | I | 34.8 | Very low | 32.6 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 89% | 0.892 | 78% | 0.781 | S | S | * | * | trans | -144 | 128.5 | 138.5 | -57.8 | -173.5 | 0 | 0 | 0 | 110.7 | ||||
| 232 | K | 35.5 | Very low | 32.6 | Very low | 184 Ų | 184 | 139.6 Ų | 139.6 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | -67.6 | 143.3 | 177.9 | -63.3 | 168.5 | 174.9 | 176.6 | 0 | 113.2 | ||||
| 233 | R | 29.8 | Very low | 32.7 | Very low | 230 Ų | 230 | 139.5 Ų | 139.5 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | 166.6 | 139.8 | 118.7 | -96.9 | -177.3 | 179.3 | 173.4 | 1.2 | 116 | |||||
| 234 | T | 28 | Very low | 33.4 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | 66.6 | 98.9 | 140.4 | 53.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 235 | K | 33.2 | Very low | 33.9 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | 25.4 | 122 | 120.1 | -152.5 | 176.1 | -172.5 | -179.4 | 0 | 119.3 | |||||
| 236 | T | 30 | Very low | 34.2 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 175.8 | 97.4 | 133.3 | 30.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 237 | S | 35.3 | Very low | 34.5 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | 38.8 | 104 | 101.1 | 61.5 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 238 | D | 31.8 | Very low | 34.7 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | 168.6 | 95.6 | 120.3 | -76.4 | -20.5 | 0 | 0 | 0 | 110.1 | |||||
| 239 | D | 34.3 | Very low | 35.1 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -151.4 | 115.1 | 161 | -172 | 35.1 | 0 | 0 | 0 | 109.2 | ||||
| 240 | S | 38 | Very low | 34.9 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -146.3 | 76.5 | 166.5 | 40.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 241 | G | 30.5 | Very low | 34.8 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 122.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 242 | L | 36.2 | Very low | 34.5 | Very low | 144 Ų | 144 | 135 Ų | 135 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | trans | -105.1 | 104.2 | 171 | -68.4 | 174.9 | 0 | 0 | 0 | 108.2 | M244 | L242-M244 HydrophobicContact CB-CE 4.04Å; L242-M244 HydrophobicContact CD1-CE 4.36Å | ||
| 243 | D | 34.8 | Very low | 34.5 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -86.8 | 120.3 | 156.6 | -74.8 | -59.5 | 0 | 0 | 0 | 108.4 | ||||
| 244 | M | 47.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | -115.1 | 130.5 | 160.7 | -115.3 | 70.2 | 66.2 | 0 | 0 | 103.8 | L242 | L242-M244 HydrophobicContact CB-CE 4.04Å; L242-M244 HydrophobicContact CD1-CE 4.36Å | ||
| 245 | D | 42.7 | Very low | 35 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | -171.3 | 153.3 | 56 | -98 | -41.1 | 0 | 0 | 0 | 114.3 | |||||
| 246 | N | 37.9 | Very low | 35 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 68.7 | 102.6 | 136.9 | -77.3 | -47 | 0 | 0 | 0 | 124.1 | ||||
| 247 | A | 36.9 | Very low | 35.4 | Very low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | 77 | 125 | 107.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 248 | A | 36.2 | Very low | 35.4 | Very low | 98 Ų | 98 | 126.5 Ų | 126.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | 71.1 | 137.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 249 | E | 35.7 | Very low | 35.7 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | cis | -166.4 | 157.4 | 18.6 | -132.5 | -180 | -172.2 | 0 | 0 | 109.9 | ||||
| 250 | N | 32.3 | Very low | 36 | Very low | 152 Ų | 152 | 117.3 Ų | 117.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 71.2 | 110.8 | 157.1 | -74.3 | -32.1 | 0 | 0 | 0 | 122.9 | ||||
| 251 | G | 29.8 | Very low | 36.8 | Very low | 82 Ų | 82 | 115.4 Ų | 115.4 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | 114 | 113.4 | 122.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 252 | G | 27.9 | Very low | 39 | Very low | 82 Ų | 82 | 115 Ų | 115 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | trans | 105.7 | 109.6 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 253 | G | 35.1 | Very low | 41.4 | Very low | 84 Ų | 84 | 113.8 Ų | 113.8 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | trans | -65.9 | 148.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 254 | D | 26.8 | Very low | 44.1 | Very low | 148 Ų | 148 | 106.8 Ų | 106.8 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | trans | -155.8 | 147.6 | 134.6 | -160.6 | 11.1 | 0 | 0 | 0 | 109.3 | ||||
| 255 | S | 41.8 | Very low | 46.2 | Very low | 111 Ų | 111 | 105.6 Ų | 105.6 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -83.7 | 114.7 | -167.1 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 256 | V | 33.6 | Very low | 48.7 | Very low | 124 Ų | 124 | 99.4 Ų | 99.4 | 75% | 0.752 | 66% | 0.66 | S | S | * | * | trans | -133.5 | 92.6 | 175.6 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 257 | I | 38.5 | Very low | 51.3 | Low | 166 Ų | 166 | 93.5 Ų | 93.5 | 85% | 0.851 | 63% | 0.629 | S | S | * | * | trans | 30.7 | 90.8 | 146.8 | -31.6 | 179.6 | 0 | 0 | 0 | 116.3 | G259 | I257-G259 PolarHBondContact O-N 2.94Š| ||
| 258 | D | 34.4 | Very low | 53.9 | Low | 142 Ų | 142 | 89.3 Ų | 89.3 | 76% | 0.759 | 59% | 0.594 | S | S | * | * | trans | -69.3 | 114.5 | 172.7 | 179.4 | 36.6 | 0 | 0 | 0 | 111.8 | G260 | D258-G260 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.02Å | ||
| 259 | G | 37.6 | Very low | 56.5 | Low | 76 Ų | 76 | 88.5 Ų | 88.5 | 78% | 0.784 | 57% | 0.57 | S | S | * | * | trans | -84.3 | 81.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | I257 A261 | I257-G259 PolarHBondContact O-N 2.94Å; G259-A261 PolarHBondContact O-N 2.86Å | ||
| 260 | G | 42.6 | Very low | 59 | Low | 54 Ų | 54 | 82 Ų | 82 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | trans | -51.9 | 103.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | D258 | D258-G260 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.02Å | ||
| 261 | A | 53.5 | Low | 61.5 | Low | 74 Ų | 74 | 75.2 Ų | 75.2 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | trans | -88.4 | 104.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | G259 E263 | G259-A261 PolarHBondContact O-N 2.86Å; A261-E263 PolarHBondContact O-N 2.94Å | ||
| 262 | S | 76.7 | Confident | 64 | Low | 56 Ų | 56 | 75.2 Ų | 75.2 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | trans | -54 | 106 | 175.9 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | G295 E355 | S262-G295 WeakPolarHBondContact O-CA 3.46Å; S262-G295 PolarHBondContact O-N 3.04Å; S262-E355 WeakPolarHBondContact CB-OE1 3.4Å; S262-E355 PolarHBondContact OG-OE1 2.93Å | ||
| 263 | E | 87.8 | Confident | 66.5 | Low | 118 Ų | 118 | 76.6 Ų | 76.6 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132 | 177 | -165.7 | 176.9 | -169.4 | 0 | 0 | 109.3 | A261 K292 | A261-E263 PolarHBondContact O-N 2.94Å; E263-K292 HydrophobicContact CG-CD 4.25Å; E263-K292 HydrophobicContact CG-CG 3.8Å; E263-K292 WeakPolarHBondContact OE1-CD 3.21Å; E263-K292 WeakPolarHBondContact OE1-CE 3.37Å; E263-K292 WeakPolarHBondContact OE1-CG 3.31Å; E263-K292 IonicContact OE1-NZ 3.97Å; E263-K292 PolarHBondContact OE1-NZ 3.36Å; E263-K292 VanDerWaalsContact OE2-CE 3.23Å; E263-K292 WeakPolarHBondContact OE2-CE 3.34Å; E263-K292 IonicContact OE2-NZ 3.88Å; E263-K292 PolarHBondContact OE2-NZ 3.32Å |
| 264 | I | 89.8 | Confident | 68.6 | Low | 18 Ų | 18 | 75.5 Ų | 75.5 | 9% | 0.092 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.2 | -176.8 | -61.5 | -171.7 | 0 | 0 | 0 | 109.8 | K292 T293 G295 L354 E355 M368 | I264-K292 WeakPolarHBondContact O-CA 3.24Å; I264-T293 PolarHBondContact N-O 2.91Å; I264-T293 PolarHBondContact O-N 3.21Å; I264-G295 VanDerWaalsContact CD1-CA 3.49Å; I264-L354 HydrophobicContact CD1-CB 3.77Å; I264-L354 WeakPolarHBondContact CD1-O 3.32Å; I264-E355 HydrophobicContact CD1-CB 4.34Å; I264-M368 HydrophobicContact CG2-CE 4.5Å |
| 265 | E | 93.5 | Very high | 70.8 | Confident | 103 Ų | 103 | 71 Ų | 71 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.3 | 169.8 | -67.7 | 179 | -177.2 | 0 | 0 | 110 | K292 P367 M368 | E265-K292 HydrophobicContact CG-CD 4.12Å; E265-K292 HydrophobicContact CG-CG 3.87Å; E265-K292 VanDerWaalsContact OE1-CE 3.28Å; E265-K292 WeakPolarHBondContact OE1-CE 3.42Å; E265-P367 HydrophobicContact CB-CB 4.15Å; E265-P367 HydrophobicContact CB-CG 4.32Å; E265-P367 CarbonylContact O-C 3.59Å; E265-P367 VanDerWaalsContact O-CA 3.27Å; E265-P367 WeakPolarHBondContact O-CA 3.49Å; E265-M368 PolarHBondContact O-N 2.82Å |
| 266 | L | 94.1 | Very high | 71.7 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 149.9 | 179.1 | 66.8 | 89 | 0 | 0 | 0 | 112.7 | F268 I291 T293 L302 L354 M368 L370 | L266-F268 HydrophobicContact CD1-CB 4.02Å; L266-F268 HydrophobicContact CD1-CG 4.28Å; L266-I291 HydrophobicContact CD1-CB 3.74Å; L266-I291 HydrophobicContact CD1-CD1 3.97Å; L266-I291 HydrophobicContact CD1-CG1 4.25Å; L266-I291 HydrophobicContact CD1-CG2 4.42Å; L266-I291 HydrophobicContact CG-CB 4.01Å; L266-I291 HydrophobicContact CG-CG2 4.46Å; L266-I291 PolarHBondContact N-O 3.03Å; L266-I291 PolarHBondContact O-N 3.09Å; L266-T293 HydrophobicContact CD2-CG2 4.28Å; L266-L302 HydrophobicContact CD2-CD1 3.98Å; L266-L302 HydrophobicContact CD2-CD2 4.15Å; L266-L354 HydrophobicContact CD2-CD1 3.9Å; L266-M368 CarbonylContact C-O 3.55Å; L266-M368 WeakPolarHBondContact CA-O 3.48Å; L266-M368 HydrophobicContact CB-CB 4.2Å; L266-M368 VanDerWaalsContact CB-O 3.26Å; L266-M368 WeakPolarHBondContact CB-O 3.26Å; L266-L370 HydrophobicContact CD2-CD1 4.26Å |
| 267 | V | 92.9 | Very high | 72.5 | Confident | 13 Ų | 13 | 76.6 Ų | 76.6 | 8% | 0.079 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.8 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 107.5 | R269 P288 Y290 P367 M368 E369 L370 | V267-R269 HydrophobicContact CG1-CG 4.21Å; V267-P288 HydrophobicContact CG1-CB 4.13Å; V267-Y290 HydrophobicContact CG1-CE1 4.27Å; V267-Y290 HydrophobicContact CG2-CD1 3.92Å; V267-Y290 HydrophobicContact CG2-CE1 3.9Å; V267-P367 HydrophobicContact CG2-CB 4.21Å; V267-M368 PolarHBondContact N-O 2.94Å; V267-E369 HydrophobicContact CB-CG 4.41Å; V267-E369 WeakPolarHBondContact O-CA 3.17Å; V267-L370 PolarHBondContact O-N 3.43Å |
| 268 | F | 92.2 | Very high | 72.7 | Confident | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 119 | -176.1 | -142.3 | -178 | 0 | 0 | 0 | 110.6 | L266 R289 I291 L302 L306 I336 L370 F372 | L266-F268 HydrophobicContact CD1-CB 4.02Å; L266-F268 HydrophobicContact CD1-CG 4.28Å; F268-R289 HydrophobicContact CB-CB 4.22Å; F268-R289 PolarHBondContact N-O 3.32Å; F268-R289 PolarHBondContact O-N 2.97Å; F268-I291 HydrophobicContact CB-CD1 4.04Å; F268-I291 HydrophobicContact CD1-CD1 3.69Å; F268-I291 HydrophobicContact CG-CD1 4.33Å; F268-L302 HydrophobicContact CE1-CB 4.14Å; F268-L302 HydrophobicContact CZ-CB 4.12Å; F268-L302 HydrophobicContact CZ-CD1 4.47Å; F268-L306 HydrophobicContact CE1-CB 4.3Å; F268-L306 HydrophobicContact CE1-CD2 4.4Å; F268-L306 HydrophobicContact CZ-CD2 4.47Å; F268-I336 HydrophobicContact CE2-CD1 4.01Å; F268-I336 HydrophobicContact CE2-CG2 3.9Å; F268-I336 HydrophobicContact CZ-CD1 3.5Å; F268-I336 VanDerWaalsContact CZ-CD1 3.5Å; F268-I336 HydrophobicContact CZ-CG1 4.2Å; F268-I336 HydrophobicContact CZ-CG2 4.15Å; F268-L370 WeakPolarHBondContact CA-O 3.27Å; F268-L370 HydrophobicContact CD2-CB 3.63Å; F268-L370 WeakPolarHBondContact CD2-O 3.23Å; F268-L370 HydrophobicContact CE2-CB 3.7Å; F268-F372 AromaticContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CE2-CB 4.07Å; F268-F372 HydrophobicContact CE2-CD1 4.12Å; F268-F372 HydrophobicContact CG-CD1 4.21Å; F268-F372 HydrophobicContact CZ-CB 4.32Å |
| 269 | R | 89.7 | Confident | 73 | Confident | 82 Ų | 82 | 76.5 Ų | 76.5 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.5 | -173.4 | -71.5 | -176.5 | 174.2 | 156.7 | 2.9 | 112.8 | V267 P288 E369 L370 Y371 F372 | V267-R269 HydrophobicContact CG1-CG 4.21Å; R269-P288 HydrophobicContact CG-CB 4.18Å; R269-E369 IonicContact CZ-OE1 2.67Å; R269-E369 IonicContact NH1-OE1 3.37Å; R269-E369 PolarHBondContact NH1-OE1 3.04Å; R269-E369 IonicContact NH1-OE2 3.81Å; R269-E369 PolarHBondContact NH1-OE2 2.83Å; R269-E369 VanDerWaalsContact NH1-OE2 3.09Å; R269-E369 IonicContact NH2-OE1 3.34Å; R269-L370 PolarHBondContact N-O 3.3Å; R269-Y371 HydrophobicContact CB-CD1 3.78Å; R269-Y371 HydrophobicContact CB-CE1 3.73Å; R269-Y371 HydrophobicContact CB-CG 4.45Å; R269-Y371 HydrophobicContact CG-CE1 4.49Å; R269-Y371 PolarHBondContact NH1-OH 3.3Å; R269-Y371 CarbonylContact O-C 3.55Å; R269-Y371 WeakPolarHBondContact O-CA 3.41Å; R269-F372 WeakPolarHBondContact O-CD1 3.48Å; R269-F372 WeakPolarHBondContact O-CE1 3.39Å; R269-F372 PolarHBondContact O-N 2.81Å |
| 270 | P | 87.6 | Confident | 73.1 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 21% | 0.214 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142 | 166.8 | 28.3 | -36.6 | 0 | 0 | 0 | 111.3 | M275 F286 Y371 F372 | P270-M275 HydrophobicContact CB-CG 4.1Å; P270-M275 HydrophobicContact CB-SD 3.05Å; P270-M275 WeakPolarHBondContact CB-SD 3.33Å; P270-M275 HydrophobicContact CG-SD 4.46Å; P270-F286 HydrophobicContact CG-CB 4.01Å; P270-F286 HydrophobicContact CG-CG 4.44Å; P270-Y371 WeakPolarHBondContact O-CD1 3.31Å; P270-F372 HydrophobicContact CB-CZ 4.45Å |
| 271 | H | 86.1 | Confident | 72.9 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 4% | 0.042 | 44% | 0.436 | C | S | . | . | trans | -65.8 | 126 | 174.5 | -168.8 | -74.4 | 0 | 0 | 0 | 110.5 | T273 L274 M275 Y337 F345 F372 A373 | H271-T273 VanDerWaalsContact C-N 3.25Å; H271-T273 PolarHBondContact CE1-OG1 2.92Å; H271-T273 PolarHBondContact ND1-N 2.88Å; H271-T273 PolarHBondContact ND1-OG1 2.74Å; H271-T273 PolarHBondContact O-N 3.01Å; H271-T273 VanDerWaalsContact O-N 3.09Å; H271-L274 HydrophobicContact CB-CB 4.06Å; H271-L274 WeakPolarHBondContact ND1-CG 3.36Å; H271-L274 PolarHBondContact ND1-N 2.81Å; H271-L274 PolarHBondContact O-N 3.04Å; H271-M275 PolarHBondContact O-N 3.11Å; H271-Y337 AromaticContact CD2-CD2 3.83Å; H271-Y337 AromaticContact CD2-CG 3.84Å; H271-F345 AromaticContact CE1-CD2 3.91Å; H271-F345 AromaticContact NE2-CD1 3.91Å; H271-F345 AromaticContact NE2-CD2 3.49Å; H271-F345 WeakPolarHBondContact NE2-CD2 3.37Å; H271-F345 AromaticContact NE2-CG 3.34Å; H271-F345 VanDerWaalsContact NE2-CG 3.34Å; H271-F345 WeakPolarHBondContact NE2-CG 3.39Å; H271-F372 WeakPolarHBondContact CB-O 3.41Å; H271-F372 PolarHBondContact N-O 3.3Å; H271-A373 HydrophobicContact CB-CB 3.95Å | ||
| 272 | P | 82.4 | Confident | 72 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 53% | 0.532 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -24 | -166.4 | 23.6 | -35 | 0 | 0 | 0 | 115 | F345 | P272-F345 HydrophobicContact CG-CE2 3.83Å; P272-F345 HydrophobicContact CG-CZ 3.62Å |
| 273 | T | 79.4 | Confident | 70.2 | Confident | 111 Ų | 111 | 86.7 Ų | 86.7 | 68% | 0.681 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | -11.9 | -176.7 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | H271 | H271-T273 VanDerWaalsContact C-N 3.25Å; H271-T273 PolarHBondContact CE1-OG1 2.92Å; H271-T273 PolarHBondContact ND1-N 2.88Å; H271-T273 PolarHBondContact ND1-OG1 2.74Å; H271-T273 PolarHBondContact O-N 3.01Å; H271-T273 VanDerWaalsContact O-N 3.09Å |
| 274 | L | 79.1 | Confident | 68.1 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 33% | 0.325 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -6.9 | -174.6 | -67.4 | 177.4 | 0 | 0 | 0 | 112.6 | H271 Y337 A373 | H271-L274 HydrophobicContact CB-CB 4.06Å; H271-L274 WeakPolarHBondContact ND1-CG 3.36Å; H271-L274 PolarHBondContact ND1-N 2.81Å; H271-L274 PolarHBondContact O-N 3.04Å; L274-Y337 HydrophobicContact CD1-CE1 4.26Å; L274-Y337 HydrophobicContact CD1-CE2 4.33Å; L274-A373 HydrophobicContact CB-CB 3.72Å; L274-A373 HydrophobicContact CD1-CB 4.22Å |
| 275 | M | 73.7 | Confident | 66.1 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 26% | 0.256 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -85.1 | 120.1 | 166 | -64.9 | -150.1 | 62.1 | 0 | 0 | 108.3 | P270 H271 K277 F286 F372 | P270-M275 HydrophobicContact CB-CG 4.1Å; P270-M275 HydrophobicContact CB-SD 3.05Å; P270-M275 WeakPolarHBondContact CB-SD 3.33Å; P270-M275 HydrophobicContact CG-SD 4.46Å; H271-M275 PolarHBondContact O-N 3.11Å; M275-K277 PolarHBondContact O-N 3.15Å; M275-F286 HydrophobicContact CE-CE1 4.21Å; M275-F286 HydrophobicContact CE-CZ 4.35Å; M275-F372 HydrophobicContact SD-CE2 4.17Å |
| 276 | E | 60.1 | Low | 64.7 | Low | 169 Ų | 169 | 93 Ų | 93 | 79% | 0.79 | 49% | 0.489 | S | S | * | . | trans | -59.5 | 125.1 | 173.9 | -65 | -173.6 | 159.8 | 0 | 0 | 108.1 | D278 | E276-D278 PolarHBondContact O-N 3.14Å; E276-D278 VanDerWaalsContact O-N 3.13Å | ||
| 277 | K | 51.3 | Low | 63.6 | Low | 184 Ų | 184 | 98 Ų | 98 | 80% | 0.8 | 52% | 0.519 | S | S | * | . | trans | -71.8 | 102.8 | 166.5 | -73 | -179.4 | 178.1 | 179.9 | 0 | 105.4 | M275 D279 | M275-K277 PolarHBondContact O-N 3.15Å; K277-D279 PolarHBondContact O-N 3.39Å | ||
| 278 | D | 42.8 | Very low | 63 | Low | 145 Ų | 145 | 99.2 Ų | 99.2 | 78% | 0.775 | 53% | 0.528 | S | S | * | . | trans | -68.6 | 103.3 | 172.5 | -159.3 | 18.4 | 0 | 0 | 0 | 107.4 | E276 G280 | E276-D278 PolarHBondContact O-N 3.14Å; E276-D278 VanDerWaalsContact O-N 3.13Å; D278-G280 PolarHBondContact O-N 3.2Å | ||
| 279 | D | 39.8 | Very low | 62.6 | Low | 161 Ų | 161 | 101 Ų | 101 | 86% | 0.861 | 54% | 0.535 | S | S | * | . | trans | -72.8 | 67.4 | 177.7 | -74.2 | -40.3 | 0 | 0 | 0 | 109.2 | K277 | K277-D279 PolarHBondContact O-N 3.39Š| ||
| 280 | G | 39.1 | Very low | 62.8 | Low | 39 Ų | 39 | 105.2 Ų | 105.2 | 40% | 0.402 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -175.7 | 85.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D278 N282 | D278-G280 PolarHBondContact O-N 3.2Å; G280-N282 VanDerWaalsContact C-N 3.3Å; G280-N282 PolarHBondContact O-N 3Å |
| 281 | H | 40.3 | Very low | 63 | Low | 202 Ų | 202 | 104.6 Ų | 104.6 | 94% | 0.935 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 50.7 | 31.9 | 152.8 | -80.1 | 68.7 | 0 | 0 | 0 | 118.7 | ||
| 282 | N | 34.7 | Very low | 63.3 | Low | 112 Ų | 112 | 109.5 Ų | 109.5 | 60% | 0.599 | 57% | 0.567 | S | S | * | * | trans | -148.4 | 81.3 | 160.9 | -115.3 | -13.2 | 0 | 0 | 0 | 108.3 | G280 V284 | G280-N282 VanDerWaalsContact C-N 3.3Å; G280-N282 PolarHBondContact O-N 3Å; N282-V284 HydrophobicContact CB-CG2 4.48Å; N282-V284 PolarHBondContact O-N 2.82Å | ||
| 283 | S | 37.2 | Very low | 63.8 | Low | 122 Ų | 122 | 107.5 Ų | 107.5 | 85% | 0.853 | 55% | 0.553 | S | S | * | * | trans | -67.7 | 75.8 | 163 | 57.7 | 0 | 0 | 0 | 0 | 107.6 | E285 | S283-E285 PolarHBondContact O-N 3.44Š| ||
| 284 | V | 44.4 | Very low | 64.5 | Low | 70 Ų | 70 | 104.8 Ų | 104.8 | 42% | 0.424 | 54% | 0.539 | S | S | . | . | trans | -62.3 | 99.7 | 161.4 | 179.2 | 0 | 0 | 0 | 0 | 104 | N282 F286 | N282-V284 HydrophobicContact CB-CG2 4.48Å; N282-V284 PolarHBondContact O-N 2.82Å; V284-F286 VanDerWaalsContact C-N 3.33Å; V284-F286 HydrophobicContact CG1-CD1 4.47Å; V284-F286 HydrophobicContact CG1-CE1 4.46Å; V284-F286 VanDerWaalsContact O-CD2 3.26Å; V284-F286 WeakPolarHBondContact O-CD2 3.28Å; V284-F286 PolarHBondContact O-N 2.95Å | ||
| 285 | E | 47.9 | Very low | 64.9 | Low | 171 Ų | 171 | 101.9 Ų | 101.9 | 80% | 0.799 | 52% | 0.524 | S | S | * | . | trans | -55.5 | 102.9 | 170.5 | -160.7 | 179.7 | -169.6 | 0 | 0 | 106 | S283 V287 | S283-E285 PolarHBondContact O-N 3.44Å; E285-V287 WeakPolarHBondContact O-CG2 3.48Å; E285-V287 PolarHBondContact O-N 3.44Å | ||
| 286 | F | 63 | Low | 65.8 | Low | 129 Ų | 129 | 105 Ų | 105 | 57% | 0.566 | 54% | 0.542 | S | S | * | . | trans | -71.4 | 96.5 | -174.1 | -70.2 | -75.8 | 0 | 0 | 0 | 108.7 | P270 M275 V284 | P270-F286 HydrophobicContact CG-CB 4.01Å; P270-F286 HydrophobicContact CG-CG 4.44Å; M275-F286 HydrophobicContact CE-CE1 4.21Å; M275-F286 HydrophobicContact CE-CZ 4.35Å; V284-F286 VanDerWaalsContact C-N 3.33Å; V284-F286 HydrophobicContact CG1-CD1 4.47Å; V284-F286 HydrophobicContact CG1-CE1 4.46Å; V284-F286 VanDerWaalsContact O-CD2 3.26Å; V284-F286 WeakPolarHBondContact O-CD2 3.28Å; V284-F286 PolarHBondContact O-N 2.95Å | ||
| 287 | V | 71.6 | Confident | 67.4 | Low | 109 Ų | 109 | 97.5 Ų | 97.5 | 66% | 0.661 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 124.6 | 179.5 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | E285 R289 | E285-V287 WeakPolarHBondContact O-CG2 3.48Å; E285-V287 PolarHBondContact O-N 3.44Å; V287-R289 PolarHBondContact O-N 3.4Å |
| 288 | P | 79.7 | Confident | 69.5 | Low | 39 Ų | 39 | 90 Ų | 90 | 25% | 0.253 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 137.7 | 173.9 | 24.4 | -32.7 | 0 | 0 | 0 | 110.3 | V267 R269 Y290 | V267-P288 HydrophobicContact CG1-CB 4.13Å; R269-P288 HydrophobicContact CG-CB 4.18Å; P288-Y290 HydrophobicContact CB-CE2 4.43Å; P288-Y290 HydrophobicContact CG-CE2 4.12Å |
| 289 | R | 85.7 | Confident | 71.9 | Confident | 39 Ų | 39 | 83.3 Ų | 83.3 | 15% | 0.147 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124 | -179.6 | -64.1 | -179.7 | 177.4 | 170.9 | 0.6 | 109.9 | F268 V287 I291 E313 | F268-R289 HydrophobicContact CB-CB 4.22Å; F268-R289 PolarHBondContact N-O 3.32Å; F268-R289 PolarHBondContact O-N 2.97Å; V287-R289 PolarHBondContact O-N 3.4Å; R289-I291 HydrophobicContact CB-CD1 4.47Å; R289-I291 HydrophobicContact CB-CG1 4.49Å; R289-E313 IonicContact CZ-OE1 3.99Å; R289-E313 IonicContact CZ-OE2 2.74Å; R289-E313 IonicContact NE-OE1 3.09Å; R289-E313 VanDerWaalsContact NH2-CD 3.31Å; R289-E313 IonicContact NH2-OE1 3.44Å; R289-E313 PolarHBondContact NH2-OE1 2.95Å; R289-E313 IonicContact NH2-OE2 3.57Å; R289-E313 PolarHBondContact NH2-OE2 3.04Å |
| 290 | Y | 92 | Very high | 74.4 | Confident | 170 Ų | 170 | 78 Ų | 78 | 67% | 0.667 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.9 | 175.4 | -59.9 | -90.7 | 0 | 0 | 0 | 108.5 | V267 P288 | V267-Y290 HydrophobicContact CG1-CE1 4.27Å; V267-Y290 HydrophobicContact CG2-CD1 3.92Å; V267-Y290 HydrophobicContact CG2-CE1 3.9Å; P288-Y290 HydrophobicContact CB-CE2 4.43Å; P288-Y290 HydrophobicContact CG-CE2 4.12Å |
| 291 | I | 92.3 | Very high | 76.9 | Confident | 20 Ų | 20 | 81.7 Ų | 81.7 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.3 | -172.8 | -58.9 | 169.7 | 0 | 0 | 0 | 108.5 | L266 F268 R289 Y305 | L266-I291 HydrophobicContact CD1-CB 3.74Å; L266-I291 HydrophobicContact CD1-CD1 3.97Å; L266-I291 HydrophobicContact CD1-CG1 4.25Å; L266-I291 HydrophobicContact CD1-CG2 4.42Å; L266-I291 HydrophobicContact CG-CB 4.01Å; L266-I291 HydrophobicContact CG-CG2 4.46Å; L266-I291 PolarHBondContact N-O 3.03Å; L266-I291 PolarHBondContact O-N 3.09Å; F268-I291 HydrophobicContact CB-CD1 4.04Å; F268-I291 HydrophobicContact CD1-CD1 3.69Å; F268-I291 HydrophobicContact CG-CD1 4.33Å; R289-I291 HydrophobicContact CB-CD1 4.47Å; R289-I291 HydrophobicContact CB-CG1 4.49Å; I291-Y305 HydrophobicContact CD1-CD1 4.01Å; I291-Y305 HydrophobicContact CD1-CE1 3.39Å; I291-Y305 HydrophobicContact CG1-CE1 4.21Å |
| 292 | K | 92.5 | Very high | 79.3 | Confident | 112 Ų | 112 | 72.4 Ų | 72.4 | 49% | 0.487 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127.4 | 172.4 | -159.3 | 174.7 | -166 | -135.7 | 0 | 108 | E263 I264 E265 | E263-K292 HydrophobicContact CG-CD 4.25Å; E263-K292 HydrophobicContact CG-CG 3.8Å; E263-K292 WeakPolarHBondContact OE1-CD 3.21Å; E263-K292 WeakPolarHBondContact OE1-CE 3.37Å; E263-K292 WeakPolarHBondContact OE1-CG 3.31Å; E263-K292 IonicContact OE1-NZ 3.97Å; E263-K292 PolarHBondContact OE1-NZ 3.36Å; E263-K292 VanDerWaalsContact OE2-CE 3.23Å; E263-K292 WeakPolarHBondContact OE2-CE 3.34Å; E263-K292 IonicContact OE2-NZ 3.88Å; E263-K292 PolarHBondContact OE2-NZ 3.32Å; I264-K292 WeakPolarHBondContact O-CA 3.24Å; E265-K292 HydrophobicContact CG-CD 4.12Å; E265-K292 HydrophobicContact CG-CG 3.87Å; E265-K292 VanDerWaalsContact OE1-CE 3.28Å; E265-K292 WeakPolarHBondContact OE1-CE 3.42Å |
| 293 | T | 93.1 | Very high | 82 | Confident | 39 Ų | 39 | 67.2 Ų | 67.2 | 24% | 0.239 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 168.5 | -174.2 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | I264 L266 A297 L354 | I264-T293 PolarHBondContact N-O 2.91Å; I264-T293 PolarHBondContact O-N 3.21Å; L266-T293 HydrophobicContact CD2-CG2 4.28Å; T293-A297 HydrophobicContact CG2-CB 4.47Å; T293-L354 HydrophobicContact CG2-CD1 3.39Å |
| 294 | S | 93.3 | Very high | 84.4 | Confident | 54 Ų | 54 | 66.5 Ų | 66.5 | 38% | 0.378 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 146.1 | 173.5 | 65.3 | 0 | 0 | 0 | 0 | 112 | N296 A297 | S294-N296 PolarHBondContact O-N 3.21Å; S294-A297 VanDerWaalsContact O-CB 3.25Å; S294-A297 WeakPolarHBondContact O-CB 3.13Å; S294-A297 PolarHBondContact O-N 3.39Å; S294-A297 VanDerWaalsContact O-N 3.1Å |
| 295 | G | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -22.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S262 I264 A297 L354 E355 | S262-G295 WeakPolarHBondContact O-CA 3.46Å; S262-G295 PolarHBondContact O-N 3.04Å; I264-G295 VanDerWaalsContact CD1-CA 3.49Å; G295-A297 VanDerWaalsContact C-N 3.28Å; G295-A297 PolarHBondContact O-N 3.32Å; G295-L354 PolarHBondContact O-N 2.71Å; G295-L354 VanDerWaalsContact O-N 3.14Å; G295-E355 PolarHBondContact O-N 3.46Å |
| 296 | N | 92.1 | Very high | 88.6 | Confident | 118 Ų | 118 | 59.3 Ų | 59.3 | 63% | 0.631 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -13.8 | 174.6 | -65.9 | -4 | 0 | 0 | 0 | 113.3 | S294 | S294-N296 PolarHBondContact O-N 3.21Š|
| 297 | A | 93.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | trans | -60.7 | 149.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | T293 S294 G295 S353 L354 | T293-A297 HydrophobicContact CG2-CB 4.47Å; S294-A297 VanDerWaalsContact O-CB 3.25Å; S294-A297 WeakPolarHBondContact O-CB 3.13Å; S294-A297 PolarHBondContact O-N 3.39Å; S294-A297 VanDerWaalsContact O-N 3.1Å; G295-A297 VanDerWaalsContact C-N 3.28Å; G295-A297 PolarHBondContact O-N 3.32Å; A297-S353 CarbonylContact O-C 3.49Å; A297-S353 VanDerWaalsContact O-CA 3.25Å; A297-S353 WeakPolarHBondContact O-CA 3.41Å; A297-L354 HydrophobicContact CB-CD1 4Å; A297-L354 HydrophobicContact CB-CG 4.39Å; A297-L354 WeakPolarHBondContact O-CG 3.45Å; A297-L354 PolarHBondContact O-N 2.89Å | ||
| 298 | T | 94.8 | Very high | 90.3 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 17% | 0.166 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -106 | 166.6 | -179.4 | 73 | 0 | 0 | 0 | 0 | 112 | D300 H301 L302 G350 F352 | T298-D300 PolarHBondContact O-N 3.37Å; T298-D300 PolarHBondContact OG1-N 2.84Å; T298-H301 PolarHBondContact N-ND1 3.39Å; T298-H301 WeakPolarHBondContact O-CB 3.37Å; T298-H301 PolarHBondContact O-N 3.37Å; T298-H301 VanDerWaalsContact O-N 3.08Å; T298-H301 PolarHBondContact OG1-N 3.21Å; T298-H301 PolarHBondContact OG1-ND1 3.42Å; T298-L302 PolarHBondContact O-N 3.34Å; T298-G350 WeakPolarHBondContact CB-O 3.47Å; T298-G350 PolarHBondContact OG1-O 3.42Å; T298-F352 CarbonylContact C-O 3.44Å; T298-F352 WeakPolarHBondContact CA-O 3.28Å; T298-F352 WeakPolarHBondContact CB-O 3.46Å |
| 299 | V | 93.4 | Very high | 90.6 | Very high | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.7 | -35.9 | 174.3 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | H301 L302 S303 I336 L348 N349 G350 F352 V357 | V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.27Å; V299-L302 WeakPolarHBondContact O-CB 3.45Å; V299-L302 PolarHBondContact O-N 2.77Å; V299-L302 VanDerWaalsContact O-N 3.13Å; V299-S303 PolarHBondContact O-N 3.08Å; V299-I336 HydrophobicContact CG1-CB 3.66Å; V299-I336 HydrophobicContact CG1-CG1 3.73Å; V299-I336 HydrophobicContact CG1-CG2 4.27Å; V299-L348 HydrophobicContact CG1-CB 3.98Å; V299-L348 HydrophobicContact CG2-CB 3.91Å; V299-L348 HydrophobicContact CG2-CD1 4.11Å; V299-N349 WeakPolarHBondContact CB-O 3.36Å; V299-G350 PolarHBondContact N-O 3.33Å; V299-F352 HydrophobicContact CG2-CB 4.33Å; V299-F352 PolarHBondContact N-O 3.42Å; V299-V357 HydrophobicContact CG2-CG2 4Å |
| 300 | D | 91.9 | Very high | 90.5 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 173.5 | -75 | -29.3 | 0 | 0 | 0 | 112.2 | T298 L302 S303 K304 E331 G350 | T298-D300 PolarHBondContact O-N 3.37Å; T298-D300 PolarHBondContact OG1-N 2.84Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.16Å; D300-S303 PolarHBondContact O-N 3.45Å; D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 PolarHBondContact O-N 2.8Å; D300-E331 HydrophobicContact CB-CB 4.01Å; D300-G350 PolarHBondContact N-O 3.45Å; D300-G350 WeakPolarHBondContact OD1-CA 3.49Å; D300-G350 VanDerWaalsContact OD2-CA 3.31Å; D300-G350 WeakPolarHBondContact OD2-CA 3.47Å |
| 301 | H | 91.9 | Very high | 89.9 | Confident | 116 Ų | 116 | 46 Ų | 46 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.2 | -39.4 | 173.3 | -64.9 | 104.4 | 0 | 0 | 0 | 111.6 | T298 V299 Y305 | T298-H301 PolarHBondContact N-ND1 3.39Å; T298-H301 WeakPolarHBondContact O-CB 3.37Å; T298-H301 PolarHBondContact O-N 3.37Å; T298-H301 VanDerWaalsContact O-N 3.08Å; T298-H301 PolarHBondContact OG1-N 3.21Å; T298-H301 PolarHBondContact OG1-ND1 3.42Å; V299-H301 VanDerWaalsContact C-N 3.32Å; V299-H301 PolarHBondContact O-N 3.27Å; H301-Y305 VanDerWaalsContact O-CB 3.23Å; H301-Y305 WeakPolarHBondContact O-CB 2.98Å; H301-Y305 PolarHBondContact O-N 3.46Å |
| 302 | L | 91.5 | Very high | 89.3 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 4% | 0.037 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 175.3 | -69.3 | -173.6 | 0 | 0 | 0 | 112.6 | L266 F268 T298 V299 D300 Y305 L306 L354 L370 | L266-L302 HydrophobicContact CD2-CD1 3.98Å; L266-L302 HydrophobicContact CD2-CD2 4.15Å; F268-L302 HydrophobicContact CE1-CB 4.14Å; F268-L302 HydrophobicContact CZ-CB 4.12Å; F268-L302 HydrophobicContact CZ-CD1 4.47Å; T298-L302 PolarHBondContact O-N 3.34Å; V299-L302 WeakPolarHBondContact O-CB 3.45Å; V299-L302 PolarHBondContact O-N 2.77Å; V299-L302 VanDerWaalsContact O-N 3.13Å; D300-L302 VanDerWaalsContact C-N 3.31Å; D300-L302 PolarHBondContact O-N 3.16Å; L302-Y305 PolarHBondContact O-N 3.3Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.32Å; L302-L354 HydrophobicContact CD1-CD1 4.14Å; L302-L354 HydrophobicContact CD1-CD2 3.45Å; L302-L354 VanDerWaalsContact CD1-CD2 3.45Å; L302-L354 HydrophobicContact CD1-CG 4.4Å; L302-L354 HydrophobicContact CD2-CD1 4.27Å; L302-L354 HydrophobicContact CG-CD1 4.28Å; L302-L354 HydrophobicContact CG-CD2 4.12Å; L302-L370 HydrophobicContact CD1-CD1 3.45Å; L302-L370 VanDerWaalsContact CD1-CD1 3.45Å |
| 303 | S | 90.3 | Very high | 88.6 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | V299 D300 Y305 L306 A307 E331 Y334 | V299-S303 PolarHBondContact O-N 3.08Å; D300-S303 PolarHBondContact O-N 3.45Å; S303-Y305 PolarHBondContact O-N 3.26Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.16Å; S303-A307 PolarHBondContact O-N 2.71Å; S303-E331 VanDerWaalsContact CB-O 3.3Å; S303-E331 WeakPolarHBondContact CB-O 3.46Å; S303-E331 VanDerWaalsContact OG-C 3.32Å; S303-E331 PolarHBondContact OG-O 3.21Å; S303-Y334 PolarHBondContact OG-O 3.09Å |
| 304 | K | 88.3 | Confident | 87.6 | Confident | 108 Ų | 108 | 50.2 Ų | 50.2 | 47% | 0.47 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176 | -172.4 | 175.8 | -176.5 | 175.9 | 0 | 112 | D300 L306 A307 V308 E331 | D300-K304 WeakPolarHBondContact O-CB 3.28Å; D300-K304 PolarHBondContact O-N 2.8Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.64Å; K304-A307 PolarHBondContact O-N 2.93Å; K304-V308 WeakPolarHBondContact O-CG2 3.01Å; K304-V308 PolarHBondContact O-N 3.29Å; K304-E331 HydrophobicContact CB-CB 4.46Å |
| 305 | Y | 91.3 | Very high | 86.5 | Confident | 90 Ų | 90 | 50.3 Ų | 50.3 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.2 | -46.2 | 174.1 | 166 | -91.4 | 0 | 0 | 0 | 111.1 | I291 H301 L302 S303 V308 R309 | I291-Y305 HydrophobicContact CD1-CD1 4.01Å; I291-Y305 HydrophobicContact CD1-CE1 3.39Å; I291-Y305 HydrophobicContact CG1-CE1 4.21Å; H301-Y305 VanDerWaalsContact O-CB 3.23Å; H301-Y305 WeakPolarHBondContact O-CB 2.98Å; H301-Y305 PolarHBondContact O-N 3.46Å; L302-Y305 PolarHBondContact O-N 3.3Å; S303-Y305 PolarHBondContact O-N 3.26Å; Y305-V308 PolarHBondContact O-N 3.46Å; Y305-R309 HydrophobicContact CE1-CB 4.38Å; Y305-R309 WeakPolarHBondContact O-CB 3.21Å; Y305-R309 PolarHBondContact O-N 3.21Å |
| 306 | L | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -46.5 | -179.6 | 175.3 | 61 | 0 | 0 | 0 | 111.9 | F268 L302 S303 K304 R309 L310 Y334 I336 F372 | F268-L306 HydrophobicContact CE1-CB 4.3Å; F268-L306 HydrophobicContact CE1-CD2 4.4Å; F268-L306 HydrophobicContact CZ-CD2 4.47Å; L302-L306 VanDerWaalsContact O-CB 3.32Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 PolarHBondContact O-N 3.32Å; S303-L306 WeakPolarHBondContact O-CB 3.42Å; S303-L306 PolarHBondContact O-N 3.16Å; K304-L306 VanDerWaalsContact C-N 3.29Å; K304-L306 PolarHBondContact O-N 2.64Å; L306-R309 PolarHBondContact O-N 2.89Å; L306-L310 HydrophobicContact CD1-CD1 3.63Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 3.13Å; L306-Y334 HydrophobicContact CB-CD2 4.4Å; L306-Y334 HydrophobicContact CD2-CD1 3.63Å; L306-Y334 HydrophobicContact CD2-CD2 3.93Å; L306-Y334 HydrophobicContact CD2-CE1 4.3Å; L306-Y334 HydrophobicContact CD2-CG 3.42Å; L306-Y334 VanDerWaalsContact CD2-CG 3.42Å; L306-Y334 HydrophobicContact CG-CD1 4.24Å; L306-Y334 HydrophobicContact CG-CD2 3.92Å; L306-Y334 HydrophobicContact CG-CE2 4.24Å; L306-Y334 HydrophobicContact CG-CG 3.94Å; L306-I336 HydrophobicContact CD2-CD1 4.39Å; L306-F372 HydrophobicContact CD1-CD1 4.18Å; L306-F372 HydrophobicContact CD1-CD2 4.21Å; L306-F372 HydrophobicContact CD1-CE1 4Å; L306-F372 HydrophobicContact CD1-CE2 4.02Å; L306-F372 HydrophobicContact CD1-CG 4.28Å; L306-F372 HydrophobicContact CD1-CZ 3.91Å; L306-F372 HydrophobicContact CD2-CB 3.42Å; L306-F372 VanDerWaalsContact CD2-CB 3.42Å; L306-F372 HydrophobicContact CD2-CD1 3.81Å; L306-F372 HydrophobicContact CD2-CD2 3.38Å; L306-F372 HydrophobicContact CD2-CE1 4.41Å; L306-F372 HydrophobicContact CD2-CE2 4.03Å; L306-F372 HydrophobicContact CD2-CG 3.25Å; L306-F372 HydrophobicContact CG-CD2 4.33Å; L306-F372 HydrophobicContact CG-CG 4.39Å |
| 307 | A | 86.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59 | -51.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S303 K304 R309 L310 A311 A329 Q333 Y334 | S303-A307 PolarHBondContact O-N 2.71Å; K304-A307 PolarHBondContact O-N 2.93Å; A307-R309 VanDerWaalsContact C-N 3.3Å; A307-R309 PolarHBondContact O-N 3.21Å; A307-L310 PolarHBondContact O-N 3.18Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3Å; A307-A311 VanDerWaalsContact O-N 3.08Å; A307-A329 HydrophobicContact CB-CB 4.12Å; A307-Q333 HydrophobicContact CB-CB 4.47Å; A307-Y334 HydrophobicContact CB-CD2 4.08Å; A307-Y334 HydrophobicContact CB-CE2 3.95Å |
| 308 | V | 84.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 26% | 0.261 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | K304 Y305 A311 L312 A329 | K304-V308 WeakPolarHBondContact O-CG2 3.01Å; K304-V308 PolarHBondContact O-N 3.29Å; Y305-V308 PolarHBondContact O-N 3.46Å; V308-A311 PolarHBondContact O-N 2.6Å; V308-L312 HydrophobicContact CG1-CD1 3.96Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.48Å; V308-L312 PolarHBondContact O-N 2.94Å; V308-A329 HydrophobicContact CG2-CB 3.71Å |
| 309 | R | 86.4 | Confident | 81.3 | Confident | 89 Ų | 89 | 66.2 Ų | 66.2 | 34% | 0.336 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | -176.1 | -170.8 | 67.9 | -168.5 | -164.6 | -3.5 | 112.5 | Y305 L306 A307 L312 E313 | Y305-R309 HydrophobicContact CE1-CB 4.38Å; Y305-R309 WeakPolarHBondContact O-CB 3.21Å; Y305-R309 PolarHBondContact O-N 3.21Å; L306-R309 PolarHBondContact O-N 2.89Å; A307-R309 VanDerWaalsContact C-N 3.3Å; A307-R309 PolarHBondContact O-N 3.21Å; R309-L312 PolarHBondContact O-N 3.25Å; R309-E313 IonicContact NE-OE1 3.65Å; R309-E313 PolarHBondContact NE-OE1 3.05Å; R309-E313 WeakPolarHBondContact O-CG 3Å; R309-E313 PolarHBondContact O-N 3.35Å |
| 310 | L | 82.8 | Confident | 79.3 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.5 | -76.6 | 166.9 | 0 | 0 | 0 | 111.6 | L306 A307 L312 E313 E314 Y334 | L306-L310 HydrophobicContact CD1-CD1 3.63Å; L306-L310 HydrophobicContact CD1-CG 4.12Å; L306-L310 HydrophobicContact CG-CD1 3.99Å; L306-L310 WeakPolarHBondContact O-CB 3.4Å; L306-L310 WeakPolarHBondContact O-CG 3.44Å; L306-L310 PolarHBondContact O-N 3.13Å; A307-L310 PolarHBondContact O-N 3.18Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.09Å; L310-E313 PolarHBondContact O-N 2.8Å; L310-E313 VanDerWaalsContact O-N 3.15Å; L310-E314 PolarHBondContact O-N 3.43Å; L310-Y334 HydrophobicContact CD1-CE1 3.96Å; L310-Y334 HydrophobicContact CD1-CE2 4.14Å; L310-Y334 WeakPolarHBondContact CD1-OH 3.35Å |
| 311 | A | 79.9 | Confident | 77.2 | Confident | 20 Ų | 20 | 75.1 Ų | 75.1 | 17% | 0.165 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A307 V308 E314 L315 V324 | A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-A311 PolarHBondContact O-N 3Å; A307-A311 VanDerWaalsContact O-N 3.08Å; V308-A311 PolarHBondContact O-N 2.6Å; A311-E314 PolarHBondContact O-N 3.19Å; A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3.39Å; A311-L315 VanDerWaalsContact O-N 3.14Å; A311-V324 HydrophobicContact CB-CB 4.4Å; A311-V324 HydrophobicContact CB-CG1 3.58Å; A311-V324 HydrophobicContact CB-CG2 3.9Å |
| 312 | L | 79.3 | Confident | 75.2 | Confident | 73 Ų | 73 | 74.2 Ų | 74.2 | 38% | 0.382 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.4 | -34.2 | 173.6 | -72.1 | 172.7 | 0 | 0 | 0 | 113.2 | V308 R309 L310 L315 R316 | V308-L312 HydrophobicContact CG1-CD1 3.96Å; V308-L312 HydrophobicContact CG1-CG 4.43Å; V308-L312 VanDerWaalsContact O-CG 3.29Å; V308-L312 WeakPolarHBondContact O-CG 3.48Å; V308-L312 PolarHBondContact O-N 2.94Å; R309-L312 PolarHBondContact O-N 3.25Å; L310-L312 VanDerWaalsContact C-N 3.31Å; L310-L312 PolarHBondContact O-N 3.09Å; L312-L315 HydrophobicContact CD2-CD1 4.47Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.99Å |
| 313 | E | 79.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 79 Ų | 79 | 35% | 0.346 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 175.7 | -76.4 | 168.3 | -166.4 | 0 | 0 | 111.3 | R289 R309 L310 R316 R317 | R289-E313 IonicContact CZ-OE1 3.99Å; R289-E313 IonicContact CZ-OE2 2.74Å; R289-E313 IonicContact NE-OE1 3.09Å; R289-E313 VanDerWaalsContact NH2-CD 3.31Å; R289-E313 IonicContact NH2-OE1 3.44Å; R289-E313 PolarHBondContact NH2-OE1 2.95Å; R289-E313 IonicContact NH2-OE2 3.57Å; R289-E313 PolarHBondContact NH2-OE2 3.04Å; R309-E313 IonicContact NE-OE1 3.65Å; R309-E313 PolarHBondContact NE-OE1 3.05Å; R309-E313 WeakPolarHBondContact O-CG 3Å; R309-E313 PolarHBondContact O-N 3.35Å; L310-E313 PolarHBondContact O-N 2.8Å; L310-E313 VanDerWaalsContact O-N 3.15Å; E313-R316 PolarHBondContact O-N 2.89Å; E313-R317 PolarHBondContact O-N 3.44Å; E313-R317 VanDerWaalsContact O-N 3.14Å |
| 314 | E | 72.6 | Confident | 71.2 | Confident | 113 Ų | 113 | 81.2 Ų | 81.2 | 53% | 0.528 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 176.5 | -170.5 | 160 | -155.8 | 0 | 0 | 112.5 | L310 A311 R316 R317 N318 | L310-E314 PolarHBondContact O-N 3.43Å; A311-E314 PolarHBondContact O-N 3.19Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.11Å; E314-R317 PolarHBondContact O-N 2.93Å; E314-R317 VanDerWaalsContact O-N 3.15Å; E314-N318 PolarHBondContact O-N 3.47Å |
| 315 | L | 69.3 | Low | 69.4 | Low | 56 Ų | 56 | 80.5 Ų | 80.5 | 29% | 0.293 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 171.9 | -78.7 | 171.7 | 0 | 0 | 0 | 113.4 | A311 L312 R317 N318 V324 | A311-L315 WeakPolarHBondContact O-CG 3.48Å; A311-L315 PolarHBondContact O-N 3.39Å; A311-L315 VanDerWaalsContact O-N 3.14Å; L312-L315 HydrophobicContact CD2-CD1 4.47Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-N318 CarbonylContact O-C 3.46Å; L315-V324 HydrophobicContact CD1-CB 3.76Å; L315-V324 HydrophobicContact CD1-CG2 3.36Å; L315-V324 HydrophobicContact CD2-CG2 3.91Å; L315-V324 HydrophobicContact CG-CB 4.35Å; L315-V324 HydrophobicContact CG-CG2 3.43Å; L315-V324 VanDerWaalsContact CG-CG2 3.43Å |
| 316 | R | 72.3 | Confident | 67.6 | Low | 165 Ų | 165 | 80.5 Ų | 80.5 | 62% | 0.623 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -72.5 | -28 | 177.9 | -72.8 | 173.6 | -176.1 | -167.4 | 0.6 | 111.9 | L312 E313 E314 | L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.99Å; E313-R316 PolarHBondContact O-N 2.89Å; E314-R316 VanDerWaalsContact C-N 3.29Å; E314-R316 PolarHBondContact O-N 3.11Å |
| 317 | R | 67 | Low | 65.9 | Low | 145 Ų | 145 | 86.9 Ų | 86.9 | 55% | 0.547 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -82.5 | -36.8 | 178.9 | -162.8 | -176.8 | 69.9 | 171.4 | -3.8 | 112.2 | E313 E314 L315 | E313-R317 PolarHBondContact O-N 3.44Å; E313-R317 VanDerWaalsContact O-N 3.14Å; E314-R317 PolarHBondContact O-N 2.93Å; E314-R317 VanDerWaalsContact O-N 3.15Å; L315-R317 VanDerWaalsContact C-N 3.3Å |
| 318 | N | 65.1 | Low | 64.4 | Low | 76 Ų | 76 | 89.2 Ų | 89.2 | 41% | 0.406 | 48% | 0.48 | S | S | . | . | trans | -116 | 95.6 | -179.4 | -73.9 | 19.2 | 0 | 0 | 0 | 110.6 | E314 L315 E320 A321 | E314-N318 PolarHBondContact O-N 3.47Å; L315-N318 CarbonylContact O-C 3.46Å; N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.09Å; N318-A321 HydrophobicContact CB-CB 3.89Å; N318-A321 PolarHBondContact O-N 2.95Å; N318-A321 VanDerWaalsContact O-N 3.13Å | ||
| 319 | A | 55.4 | Low | 63.3 | Low | 106 Ų | 106 | 87.8 Ų | 87.8 | 88% | 0.876 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 320 | E | 51.4 | Low | 62.6 | Low | 198 Ų | 198 | 85.8 Ų | 85.8 | 93% | 0.925 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | 2.6 | 177.4 | -64.1 | -172.2 | 158.3 | 0 | 0 | 114 | N318 | N318-E320 PolarHBondContact O-N 3.39Å; N318-E320 VanDerWaalsContact O-N 3.09Å |
| 321 | A | 48.5 | Very low | 62.1 | Low | 43 Ų | 43 | 87.7 Ų | 87.7 | 36% | 0.355 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -73.2 | 135 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | N318 | N318-A321 HydrophobicContact CB-CB 3.89Å; N318-A321 PolarHBondContact O-N 2.95Å; N318-A321 VanDerWaalsContact O-N 3.13Å |
| 322 | S | 48.9 | Very low | 61.8 | Low | 97 Ų | 97 | 93.9 Ų | 93.9 | 68% | 0.678 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 146.5 | 174.1 | 47.8 | 0 | 0 | 0 | 0 | 111.9 | V324 | S322-V324 PolarHBondContact O-N 3.22Å; S322-V324 VanDerWaalsContact O-N 3.13Å |
| 323 | P | 49.5 | Very low | 61.8 | Low | 106 Ų | 106 | 94.2 Ų | 94.2 | 69% | 0.688 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 124.4 | -179.1 | 22.7 | -32.9 | 0 | 0 | 0 | 109.9 | N325 | P323-N325 PolarHBondContact O-N 3.16Å; P323-N325 VanDerWaalsContact O-N 3.09Å |
| 324 | V | 47.9 | Very low | 62.3 | Low | 49 Ų | 49 | 93 Ų | 93 | 30% | 0.297 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 120.6 | 173.9 | 167.1 | 0 | 0 | 0 | 0 | 107.9 | A311 L315 S322 V326 | A311-V324 HydrophobicContact CB-CB 4.4Å; A311-V324 HydrophobicContact CB-CG1 3.58Å; A311-V324 HydrophobicContact CB-CG2 3.9Å; L315-V324 HydrophobicContact CD1-CB 3.76Å; L315-V324 HydrophobicContact CD1-CG2 3.36Å; L315-V324 HydrophobicContact CD2-CG2 3.91Å; L315-V324 HydrophobicContact CG-CB 4.35Å; L315-V324 HydrophobicContact CG-CG2 3.43Å; L315-V324 VanDerWaalsContact CG-CG2 3.43Å; S322-V324 PolarHBondContact O-N 3.22Å; S322-V324 VanDerWaalsContact O-N 3.13Å; V324-V326 VanDerWaalsContact C-N 3.27Å; V324-V326 HydrophobicContact CG1-CG2 4.4Å; V324-V326 PolarHBondContact O-N 2.99Å |
| 325 | N | 50.9 | Low | 63.2 | Low | 94 Ų | 94 | 89 Ų | 89 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | trans | -67.1 | 92.3 | 165.4 | -176.8 | -5 | 0 | 0 | 0 | 106.9 | P323 E327 A328 | P323-N325 PolarHBondContact O-N 3.16Å; P323-N325 VanDerWaalsContact O-N 3.09Å; N325-E327 PolarHBondContact O-N 3.33Å; N325-E327 WeakPolarHBondContact OD1-CA 3.12Å; N325-E327 VanDerWaalsContact OD1-CB 3.22Å; N325-E327 WeakPolarHBondContact OD1-CB 3.3Å; N325-E327 PolarHBondContact OD1-N 2.83Å; N325-E327 VanDerWaalsContact OD1-N 3.14Å; N325-E327 PolarHBondContact OD1-OE2 3.46Å; N325-A328 HydrophobicContact CB-CB 3.94Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.98Å; N325-A328 PolarHBondContact OD1-N 3.37Å | ||
| 326 | V | 53.3 | Low | 64.3 | Low | 90 Ų | 90 | 86.5 Ų | 86.5 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -63.1 | -23.8 | 178.9 | -163.5 | 0 | 0 | 0 | 0 | 109.7 | V324 A328 A329 | V324-V326 VanDerWaalsContact C-N 3.27Å; V324-V326 HydrophobicContact CG1-CG2 4.4Å; V324-V326 PolarHBondContact O-N 2.99Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.15Å; V326-A329 WeakPolarHBondContact O-CB 3.32Å; V326-A329 PolarHBondContact O-N 3.03Å |
| 327 | E | 52.5 | Low | 65.3 | Low | 133 Ų | 133 | 80.2 Ų | 80.2 | 62% | 0.621 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -69.9 | -17.7 | 170 | -59.9 | 90.1 | 163.8 | 0 | 0 | 114 | H171 N325 | H171-E327 IonicContact CE1-OE1 3.02Å; H171-E327 PolarHBondContact CE1-OE1 2.99Å; H171-E327 IonicContact ND1-OE1 3.35Å; H171-E327 IonicContact NE2-OE1 3.95Å; N325-E327 PolarHBondContact O-N 3.33Å; N325-E327 WeakPolarHBondContact OD1-CA 3.12Å; N325-E327 VanDerWaalsContact OD1-CB 3.22Å; N325-E327 WeakPolarHBondContact OD1-CB 3.3Å; N325-E327 PolarHBondContact OD1-N 2.83Å; N325-E327 VanDerWaalsContact OD1-N 3.14Å; N325-E327 PolarHBondContact OD1-OE2 3.46Å |
| 328 | A | 55.6 | Low | 66.5 | Low | 53 Ų | 53 | 73.3 Ų | 73.3 | 44% | 0.438 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -84.7 | -12.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N325 V326 S330 Q333 | N325-A328 HydrophobicContact CB-CB 3.94Å; N325-A328 WeakPolarHBondContact O-CB 3.35Å; N325-A328 PolarHBondContact O-N 2.98Å; N325-A328 PolarHBondContact OD1-N 3.37Å; V326-A328 VanDerWaalsContact C-N 3.27Å; V326-A328 PolarHBondContact O-N 3.15Å; A328-S330 PolarHBondContact O-N 3.32Å; A328-Q333 PolarHBondContact O-NE2 2.92Å |
| 329 | A | 61.3 | Low | 67.8 | Low | 13 Ų | 13 | 71.4 Ų | 71.4 | 11% | 0.107 | 41% | 0.408 | C | S | . | . | trans | -72 | 100.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A307 V308 V326 Q333 | A307-A329 HydrophobicContact CB-CB 4.12Å; V308-A329 HydrophobicContact CG2-CB 3.71Å; V326-A329 WeakPolarHBondContact O-CB 3.32Å; V326-A329 PolarHBondContact O-N 3.03Å; A329-Q333 VanDerWaalsContact CA-OE1 3.32Å | ||
| 330 | S | 72.7 | Confident | 69.2 | Low | 47 Ų | 47 | 69.2 Ų | 69.2 | 33% | 0.329 | 38% | 0.383 | S | S | . | . | trans | -106.7 | 145.7 | -174.9 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | A328 K332 Q333 | A328-S330 PolarHBondContact O-N 3.32Å; S330-K332 PolarHBondContact O-N 2.7Å; S330-K332 PolarHBondContact OG-N 2.73Å; S330-Q333 PolarHBondContact O-N 3.36Å; S330-Q333 VanDerWaalsContact O-N 3.14Å | ||
| 331 | E | 70.4 | Confident | 70.6 | Confident | 90 Ų | 90 | 64.3 Ų | 64.3 | 42% | 0.421 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -13.9 | 168.2 | 64.3 | -159.3 | -178 | 0 | 0 | 113.5 | D300 S303 K304 | D300-E331 HydrophobicContact CB-CB 4.01Å; S303-E331 VanDerWaalsContact CB-O 3.3Å; S303-E331 WeakPolarHBondContact CB-O 3.46Å; S303-E331 VanDerWaalsContact OG-C 3.32Å; S303-E331 PolarHBondContact OG-O 3.21Å; K304-E331 HydrophobicContact CB-CB 4.46Å |
| 332 | K | 74.7 | Confident | 71.8 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 66% | 0.657 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.1 | 179.1 | -60.2 | -176.3 | -179.2 | 179.7 | 0 | 114.7 | S330 T375 | S330-K332 PolarHBondContact O-N 2.7Å; S330-K332 PolarHBondContact OG-N 2.73Å; K332-T375 WeakPolarHBondContact O-CB 3.46Å; K332-T375 PolarHBondContact O-OG1 3.47Å; K332-T375 VanDerWaalsContact O-OG1 3.09Å |
| 333 | Q | 80 | Confident | 73 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 37% | 0.369 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -79 | -26.4 | -177.5 | -74.1 | 176.7 | -49.7 | 0 | 0 | 113.2 | A307 A328 A329 S330 P374 T375 | A307-Q333 HydrophobicContact CB-CB 4.47Å; A328-Q333 PolarHBondContact O-NE2 2.92Å; A329-Q333 VanDerWaalsContact CA-OE1 3.32Å; S330-Q333 PolarHBondContact O-N 3.36Å; S330-Q333 VanDerWaalsContact O-N 3.14Å; Q333-P374 WeakPolarHBondContact O-CA 3.46Å; Q333-T375 PolarHBondContact O-N 3.13Å; Q333-T375 PolarHBondContact O-OG1 2.86Å |
| 334 | Y | 88.5 | Confident | 74.7 | Confident | 50 Ų | 50 | 69.2 Ų | 69.2 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.7 | -178.6 | -66 | -83.5 | 0 | 0 | 0 | 111.5 | S303 L306 A307 L310 F372 A373 P374 T375 | S303-Y334 PolarHBondContact OG-O 3.09Å; L306-Y334 HydrophobicContact CB-CD2 4.4Å; L306-Y334 HydrophobicContact CD2-CD1 3.63Å; L306-Y334 HydrophobicContact CD2-CD2 3.93Å; L306-Y334 HydrophobicContact CD2-CE1 4.3Å; L306-Y334 HydrophobicContact CD2-CG 3.42Å; L306-Y334 VanDerWaalsContact CD2-CG 3.42Å; L306-Y334 HydrophobicContact CG-CD1 4.24Å; L306-Y334 HydrophobicContact CG-CD2 3.92Å; L306-Y334 HydrophobicContact CG-CE2 4.24Å; L306-Y334 HydrophobicContact CG-CG 3.94Å; A307-Y334 HydrophobicContact CB-CD2 4.08Å; A307-Y334 HydrophobicContact CB-CE2 3.95Å; L310-Y334 HydrophobicContact CD1-CE1 3.96Å; L310-Y334 HydrophobicContact CD1-CE2 4.14Å; L310-Y334 WeakPolarHBondContact CD1-OH 3.35Å; Y334-F372 HydrophobicContact CD1-CD2 4.03Å; Y334-F372 HydrophobicContact CE1-CD2 4.37Å; Y334-A373 WeakPolarHBondContact CA-O 3.48Å; Y334-P374 HydrophobicContact CE1-CB 4.5Å; Y334-P374 HydrophobicContact CE1-CG 4.17Å; Y334-T375 WeakPolarHBondContact CA-OG1 3.27Å; Y334-T375 PolarHBondContact N-OG1 3.07Å |
| 335 | T | 91.1 | Very high | 76.8 | Confident | 29 Ų | 29 | 69.4 Ų | 69.4 | 18% | 0.178 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 129.7 | 171.8 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | Y337 V347 F372 A373 T375 | T335-Y337 HydrophobicContact CG2-CD2 4.4Å; T335-Y337 HydrophobicContact CG2-CE1 4.25Å; T335-Y337 HydrophobicContact CG2-CE2 3.67Å; T335-Y337 VanDerWaalsContact O-CD2 3.27Å; T335-Y337 WeakPolarHBondContact O-CD2 3.45Å; T335-Y337 WeakPolarHBondContact O-CE2 3.18Å; T335-V347 HydrophobicContact CG2-CB 4.48Å; T335-V347 HydrophobicContact CG2-CG1 3.63Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; T335-F372 WeakPolarHBondContact O-CA 3.29Å; T335-A373 PolarHBondContact N-O 3.32Å; T335-A373 PolarHBondContact O-N 3Å; T335-A373 VanDerWaalsContact O-N 3.08Å; T335-T375 PolarHBondContact N-OG1 3.15Å; T335-T375 VanDerWaalsContact N-OG1 3.1Å; T335-T375 PolarHBondContact OG1-OG1 2.66Å |
| 336 | I | 93 | Very high | 78.7 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.015 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.8 | -178.7 | -49 | -45.8 | 0 | 0 | 0 | 109.9 | F268 V299 L306 L348 L370 Y371 F372 | F268-I336 HydrophobicContact CE2-CD1 4.01Å; F268-I336 HydrophobicContact CE2-CG2 3.9Å; F268-I336 HydrophobicContact CZ-CD1 3.5Å; F268-I336 VanDerWaalsContact CZ-CD1 3.5Å; F268-I336 HydrophobicContact CZ-CG1 4.2Å; F268-I336 HydrophobicContact CZ-CG2 4.15Å; V299-I336 HydrophobicContact CG1-CB 3.66Å; V299-I336 HydrophobicContact CG1-CG1 3.73Å; V299-I336 HydrophobicContact CG1-CG2 4.27Å; L306-I336 HydrophobicContact CD2-CD1 4.39Å; I336-L348 HydrophobicContact CG2-CD1 4.16Å; I336-L348 PolarHBondContact O-N 2.91Å; I336-L370 HydrophobicContact CG2-CB 4.33Å; I336-L370 HydrophobicContact CG2-CD1 4.31Å; I336-Y371 CarbonylContact C-O 3.6Å; I336-Y371 WeakPolarHBondContact CA-O 3.36Å; I336-F372 HydrophobicContact CD1-CB 3.84Å |
| 337 | Y | 93 | Very high | 80.6 | Confident | 32 Ų | 32 | 67 Ų | 67 | 13% | 0.125 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 149.4 | -174.8 | -58.2 | -98.6 | 0 | 0 | 0 | 110.5 | H271 L274 T335 F345 T346 V347 Y371 A373 | H271-Y337 AromaticContact CD2-CD2 3.83Å; H271-Y337 AromaticContact CD2-CG 3.84Å; L274-Y337 HydrophobicContact CD1-CE1 4.26Å; L274-Y337 HydrophobicContact CD1-CE2 4.33Å; T335-Y337 HydrophobicContact CG2-CD2 4.4Å; T335-Y337 HydrophobicContact CG2-CE1 4.25Å; T335-Y337 HydrophobicContact CG2-CE2 3.67Å; T335-Y337 VanDerWaalsContact O-CD2 3.27Å; T335-Y337 WeakPolarHBondContact O-CD2 3.45Å; T335-Y337 WeakPolarHBondContact O-CE2 3.18Å; Y337-F345 HydrophobicContact CD1-CB 4.04Å; Y337-F345 HydrophobicContact CG-CB 4.45Å; Y337-T346 CarbonylContact C-O 3.47Å; Y337-T346 VanDerWaalsContact CA-O 3.27Å; Y337-T346 WeakPolarHBondContact CA-O 3.42Å; Y337-V347 HydrophobicContact CD1-CG2 3.78Å; Y337-V347 HydrophobicContact CE1-CG2 3.37Å; Y337-Y371 PolarHBondContact N-O 3.4Å; Y337-Y371 PolarHBondContact O-N 3.41Å; Y337-A373 HydrophobicContact CE2-CB 3.9Å |
| 338 | I | 93.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.9 | 169.5 | -162.2 | 170.4 | 0 | 0 | 0 | 109.9 | T340 T346 L348 V357 Y361 W362 M368 L370 | I338-T340 PolarHBondContact O-N 3.03Å; I338-T346 PolarHBondContact N-O 3.14Å; I338-T346 PolarHBondContact O-N 3.01Å; I338-L348 HydrophobicContact CB-CD1 4.22Å; I338-L348 HydrophobicContact CB-CD2 4.23Å; I338-L348 HydrophobicContact CB-CG 4.28Å; I338-L348 HydrophobicContact CG2-CD2 3.72Å; I338-L348 HydrophobicContact CG2-CG 4.21Å; I338-V357 HydrophobicContact CD1-CG1 3.97Å; I338-Y361 HydrophobicContact CG2-CD1 4.25Å; I338-Y361 HydrophobicContact CG2-CG 4.18Å; I338-W362 HydrophobicContact CD1-CB 4.34Å; I338-W362 HydrophobicContact CD1-CE3 4.29Å; I338-M368 HydrophobicContact CD1-CG 4.29Å; I338-M368 HydrophobicContact CD1-SD 4.05Å; I338-L370 HydrophobicContact CB-CD2 4.08Å; I338-L370 HydrophobicContact CD1-CD2 4.11Å; I338-L370 HydrophobicContact CG1-CD2 3.96Å |
| 339 | P | 90.9 | Very high | 84.2 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 23% | 0.234 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.6 | 175.8 | 30.3 | -35.1 | 0 | 0 | 0 | 109.2 | F345 W362 E369 Y371 | P339-F345 HydrophobicContact CB-CD1 4.49Å; P339-F345 HydrophobicContact CB-CE1 4.23Å; P339-W362 HydrophobicContact CG-CZ3 4.21Å; P339-E369 WeakPolarHBondContact CD-O 3.44Å; P339-Y371 HydrophobicContact CB-CE2 4.35Å; P339-Y371 HydrophobicContact CG-CD2 4.38Å; P339-Y371 HydrophobicContact CG-CE2 3.85Å |
| 340 | T | 85.9 | Confident | 85.5 | Confident | 60 Ų | 60 | 62.6 Ų | 62.6 | 37% | 0.368 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 162.4 | 176 | -50.3 | 0 | 0 | 0 | 0 | 109.1 | I338 G342 Q344 T346 | I338-T340 PolarHBondContact O-N 3.03Å; T340-G342 PolarHBondContact O-N 3.49Å; T340-Q344 PolarHBondContact N-O 3.03Å; T340-T346 PolarHBondContact OG1-OG1 3.27Å |
| 341 | A | 79.7 | Confident | 86.3 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 79% | 0.793 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.5 | 134.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 342 | G | 74.6 | Confident | 87.4 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | 22.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | T340 Q344 | T340-G342 PolarHBondContact O-N 3.49Å; G342-Q344 PolarHBondContact O-N 2.94Å |
| 343 | N | 74.8 | Confident | 88.4 | Confident | 148 Ų | 148 | 56.2 Ų | 56.2 | 79% | 0.791 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 27.3 | 178.9 | -155.1 | 47.2 | 0 | 0 | 0 | 113.5 | ||
| 344 | Q | 85.1 | Confident | 89.1 | Confident | 135 Ų | 135 | 52.4 Ų | 52.4 | 63% | 0.631 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 151.1 | 175.8 | -66.4 | -178.5 | 34.1 | 0 | 0 | 109.8 | T340 G342 | T340-Q344 PolarHBondContact N-O 3.03Å; G342-Q344 PolarHBondContact O-N 2.94Å |
| 345 | F | 90.8 | Very high | 89.3 | Confident | 53 Ų | 53 | 53 Ų | 53 | 23% | 0.232 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 122.3 | 178.8 | -69.3 | -88.2 | 0 | 0 | 0 | 109.3 | H271 P272 Y337 P339 Y371 | H271-F345 AromaticContact CE1-CD2 3.91Å; H271-F345 AromaticContact NE2-CD1 3.91Å; H271-F345 AromaticContact NE2-CD2 3.49Å; H271-F345 WeakPolarHBondContact NE2-CD2 3.37Å; H271-F345 AromaticContact NE2-CG 3.34Å; H271-F345 VanDerWaalsContact NE2-CG 3.34Å; H271-F345 WeakPolarHBondContact NE2-CG 3.39Å; P272-F345 HydrophobicContact CG-CE2 3.83Å; P272-F345 HydrophobicContact CG-CZ 3.62Å; Y337-F345 HydrophobicContact CD1-CB 4.04Å; Y337-F345 HydrophobicContact CG-CB 4.45Å; P339-F345 HydrophobicContact CB-CD1 4.49Å; P339-F345 HydrophobicContact CB-CE1 4.23Å; F345-Y371 HydrophobicContact CD1-CD2 4.17Å; F345-Y371 HydrophobicContact CD1-CG 4.17Å; F345-Y371 AromaticContact CE1-CD1 3.9Å; F345-Y371 HydrophobicContact CE1-CD1 3.9Å; F345-Y371 AromaticContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CE1 4.17Å; F345-Y371 AromaticContact CE1-CE2 3.99Å; F345-Y371 HydrophobicContact CE1-CE2 3.99Å; F345-Y371 AromaticContact CE1-CG 3.66Å; F345-Y371 HydrophobicContact CE1-CG 3.66Å |
| 346 | T | 91.6 | Very high | 89.4 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 31% | 0.313 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 128.5 | 177.9 | -60.3 | 0 | 0 | 0 | 0 | 109.4 | Y337 I338 T340 L348 Y361 | Y337-T346 CarbonylContact C-O 3.47Å; Y337-T346 VanDerWaalsContact CA-O 3.27Å; Y337-T346 WeakPolarHBondContact CA-O 3.42Å; I338-T346 PolarHBondContact N-O 3.14Å; I338-T346 PolarHBondContact O-N 3.01Å; T340-T346 PolarHBondContact OG1-OG1 3.27Å; T346-L348 PolarHBondContact O-N 3.22Å; T346-Y361 HydrophobicContact CG2-CE1 4.23Å |
| 347 | V | 92.7 | Very high | 89.3 | Confident | 82 Ų | 82 | 54.6 Ų | 54.6 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 128 | 173.1 | 177.5 | 0 | 0 | 0 | 0 | 109.5 | T335 Y337 | T335-V347 HydrophobicContact CG2-CB 4.48Å; T335-V347 HydrophobicContact CG2-CG1 3.63Å; T335-V347 HydrophobicContact CG2-CG2 4.11Å; Y337-V347 HydrophobicContact CD1-CG2 3.78Å; Y337-V347 HydrophobicContact CE1-CG2 3.37Å |
| 348 | L | 92.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 140.3 | 174.5 | -65.5 | -179.1 | 0 | 0 | 0 | 110.6 | V299 I336 I338 T346 V357 Y361 L370 | V299-L348 HydrophobicContact CG1-CB 3.98Å; V299-L348 HydrophobicContact CG2-CB 3.91Å; V299-L348 HydrophobicContact CG2-CD1 4.11Å; I336-L348 HydrophobicContact CG2-CD1 4.16Å; I336-L348 PolarHBondContact O-N 2.91Å; I338-L348 HydrophobicContact CB-CD1 4.22Å; I338-L348 HydrophobicContact CB-CD2 4.23Å; I338-L348 HydrophobicContact CB-CG 4.28Å; I338-L348 HydrophobicContact CG2-CD2 3.72Å; I338-L348 HydrophobicContact CG2-CG 4.21Å; T346-L348 PolarHBondContact O-N 3.22Å; L348-V357 HydrophobicContact CD1-CG1 3.66Å; L348-V357 HydrophobicContact CD1-CG2 4.17Å; L348-V357 HydrophobicContact CD2-CG1 3.96Å; L348-V357 HydrophobicContact CD2-CG2 4.27Å; L348-V357 HydrophobicContact CG-CG1 4.5Å; L348-Y361 HydrophobicContact CD2-CD2 3.97Å; L348-Y361 HydrophobicContact CD2-CE2 4.04Å; L348-Y361 HydrophobicContact CD2-CG 4.37Å; L348-L370 HydrophobicContact CD1-CD2 3.79Å |
| 349 | N | 90.9 | Very high | 89.1 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 132.7 | 174 | -172.7 | -55.8 | 0 | 0 | 0 | 109.6 | V299 S351 F352 | V299-N349 WeakPolarHBondContact CB-O 3.36Å; N349-S351 PolarHBondContact O-N 3.29Å; N349-S351 VanDerWaalsContact O-N 3.14Å; N349-S351 WeakPolarHBondContact OD1-CB 3.48Å; N349-S351 PolarHBondContact OD1-N 3.02Å; N349-S351 PolarHBondContact OD1-OG 2.97Å; N349-F352 HydrophobicContact CB-CD1 4.04Å; N349-F352 HydrophobicContact CB-CD2 3.81Å; N349-F352 HydrophobicContact CB-CE1 3.94Å; N349-F352 HydrophobicContact CB-CE2 3.7Å; N349-F352 HydrophobicContact CB-CG 3.98Å; N349-F352 HydrophobicContact CB-CZ 3.77Å; N349-F352 WeakPolarHBondContact O-CB 3.44Å; N349-F352 PolarHBondContact O-N 3.04Å |
| 350 | G | 88.9 | Confident | 89 | Confident | 14 Ų | 14 | 64 Ų | 64 | 14% | 0.144 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -35.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | T298 V299 D300 F352 | T298-G350 WeakPolarHBondContact CB-O 3.47Å; T298-G350 PolarHBondContact OG1-O 3.42Å; V299-G350 PolarHBondContact N-O 3.33Å; D300-G350 PolarHBondContact N-O 3.45Å; D300-G350 WeakPolarHBondContact OD1-CA 3.49Å; D300-G350 VanDerWaalsContact OD2-CA 3.31Å; D300-G350 WeakPolarHBondContact OD2-CA 3.47Å; G350-F352 VanDerWaalsContact C-N 3.32Å; G350-F352 PolarHBondContact O-N 3.49Å |
| 351 | S | 90.9 | Very high | 89.1 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10.8 | -178.4 | 64.8 | 0 | 0 | 0 | 0 | 114.8 | N349 | N349-S351 PolarHBondContact O-N 3.29Å; N349-S351 VanDerWaalsContact O-N 3.14Å; N349-S351 WeakPolarHBondContact OD1-CB 3.48Å; N349-S351 PolarHBondContact OD1-N 3.02Å; N349-S351 PolarHBondContact OD1-OG 2.97Å |
| 352 | F | 93.6 | Very high | 89.6 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 19% | 0.189 | 34% | 0.338 | C | S | . | . | trans | -73.1 | 133.7 | -179.2 | -67.7 | -13 | 0 | 0 | 0 | 111.3 | T298 V299 N349 G350 L356 V357 Y361 | T298-F352 CarbonylContact C-O 3.44Å; T298-F352 WeakPolarHBondContact CA-O 3.28Å; T298-F352 WeakPolarHBondContact CB-O 3.46Å; V299-F352 HydrophobicContact CG2-CB 4.33Å; V299-F352 PolarHBondContact N-O 3.42Å; N349-F352 HydrophobicContact CB-CD1 4.04Å; N349-F352 HydrophobicContact CB-CD2 3.81Å; N349-F352 HydrophobicContact CB-CE1 3.94Å; N349-F352 HydrophobicContact CB-CE2 3.7Å; N349-F352 HydrophobicContact CB-CG 3.98Å; N349-F352 HydrophobicContact CB-CZ 3.77Å; N349-F352 WeakPolarHBondContact O-CB 3.44Å; N349-F352 PolarHBondContact O-N 3.04Å; G350-F352 VanDerWaalsContact C-N 3.32Å; G350-F352 PolarHBondContact O-N 3.49Å; F352-L356 HydrophobicContact CB-CD2 4.3Å; F352-L356 HydrophobicContact CD1-CD2 3.85Å; F352-L356 HydrophobicContact CE1-CD2 4.38Å; F352-L356 HydrophobicContact CG-CD2 4.08Å; F352-V357 HydrophobicContact CB-CG2 3.84Å; F352-Y361 HydrophobicContact CD2-CE2 4.27Å; F352-Y361 HydrophobicContact CE2-CE2 4.17Å | ||
| 353 | S | 95.1 | Very high | 90 | Very high | 32 Ų | 32 | 66.7 Ų | 66.7 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 151.8 | 169.5 | 65.6 | 0 | 0 | 0 | 0 | 110.8 | A297 E355 L356 V357 | A297-S353 CarbonylContact O-C 3.49Å; A297-S353 VanDerWaalsContact O-CA 3.25Å; A297-S353 WeakPolarHBondContact O-CA 3.41Å; S353-E355 PolarHBondContact O-N 2.8Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.79Å; S353-L356 VanDerWaalsContact O-N 3.15Å; S353-L356 WeakPolarHBondContact OG-CB 3.3Å; S353-L356 PolarHBondContact OG-N 3.24Å; S353-V357 WeakPolarHBondContact O-CG2 3.42Å; S353-V357 PolarHBondContact O-N 2.81Å |
| 354 | L | 93.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -29.7 | 178.5 | -62.8 | -178.5 | 0 | 0 | 0 | 112.1 | I264 L266 T293 G295 A297 L302 V357 S358 M368 | I264-L354 HydrophobicContact CD1-CB 3.77Å; I264-L354 WeakPolarHBondContact CD1-O 3.32Å; L266-L354 HydrophobicContact CD2-CD1 3.9Å; T293-L354 HydrophobicContact CG2-CD1 3.39Å; G295-L354 PolarHBondContact O-N 2.71Å; G295-L354 VanDerWaalsContact O-N 3.14Å; A297-L354 HydrophobicContact CB-CD1 4Å; A297-L354 HydrophobicContact CB-CG 4.39Å; A297-L354 WeakPolarHBondContact O-CG 3.45Å; A297-L354 PolarHBondContact O-N 2.89Å; L302-L354 HydrophobicContact CD1-CD1 4.14Å; L302-L354 HydrophobicContact CD1-CD2 3.45Å; L302-L354 VanDerWaalsContact CD1-CD2 3.45Å; L302-L354 HydrophobicContact CD1-CG 4.4Å; L302-L354 HydrophobicContact CD2-CD1 4.27Å; L302-L354 HydrophobicContact CG-CD1 4.28Å; L302-L354 HydrophobicContact CG-CD2 4.12Å; L354-V357 PolarHBondContact O-N 3.4Å; L354-S358 VanDerWaalsContact O-CB 3.31Å; L354-S358 WeakPolarHBondContact O-CB 3.48Å; L354-S358 PolarHBondContact O-N 3.35Å; L354-M368 HydrophobicContact CB-CE 4.47Å; L354-M368 HydrophobicContact CD2-CE 4.11Å |
| 355 | E | 92.8 | Very high | 90.3 | Very high | 61 Ų | 61 | 65 Ų | 65 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -49.1 | 170.8 | -170.7 | 167.5 | -131 | 0 | 0 | 111 | S262 I264 G295 S353 V357 S358 E359 | S262-E355 WeakPolarHBondContact CB-OE1 3.4Å; S262-E355 PolarHBondContact OG-OE1 2.93Å; I264-E355 HydrophobicContact CD1-CB 4.34Å; G295-E355 PolarHBondContact O-N 3.46Å; S353-E355 PolarHBondContact O-N 2.8Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.89Å; E355-S358 WeakPolarHBondContact O-CB 3.35Å; E355-S358 PolarHBondContact O-N 3.12Å; E355-E359 WeakPolarHBondContact O-CG 3.34Å; E355-E359 PolarHBondContact O-N 3.31Å |
| 356 | L | 92.8 | Very high | 90.2 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 175.6 | 178.4 | 63.4 | 0 | 0 | 0 | 111.9 | F352 S353 K360 | F352-L356 HydrophobicContact CB-CD2 4.3Å; F352-L356 HydrophobicContact CD1-CD2 3.85Å; F352-L356 HydrophobicContact CE1-CD2 4.38Å; F352-L356 HydrophobicContact CG-CD2 4.08Å; S353-L356 WeakPolarHBondContact O-CB 3.46Å; S353-L356 PolarHBondContact O-N 2.79Å; S353-L356 VanDerWaalsContact O-N 3.15Å; S353-L356 WeakPolarHBondContact OG-CB 3.3Å; S353-L356 PolarHBondContact OG-N 3.24Å; L356-K360 WeakPolarHBondContact O-CB 3.25Å; L356-K360 PolarHBondContact O-N 3.38Å |
| 357 | V | 92.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.4 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | V299 I338 L348 F352 S353 L354 E355 K360 Y361 W362 M368 | V299-V357 HydrophobicContact CG2-CG2 4Å; I338-V357 HydrophobicContact CD1-CG1 3.97Å; L348-V357 HydrophobicContact CD1-CG1 3.66Å; L348-V357 HydrophobicContact CD1-CG2 4.17Å; L348-V357 HydrophobicContact CD2-CG1 3.96Å; L348-V357 HydrophobicContact CD2-CG2 4.27Å; L348-V357 HydrophobicContact CG-CG1 4.5Å; F352-V357 HydrophobicContact CB-CG2 3.84Å; S353-V357 WeakPolarHBondContact O-CG2 3.42Å; S353-V357 PolarHBondContact O-N 2.81Å; L354-V357 PolarHBondContact O-N 3.4Å; E355-V357 VanDerWaalsContact C-N 3.31Å; E355-V357 PolarHBondContact O-N 2.89Å; V357-K360 PolarHBondContact O-N 2.97Å; V357-Y361 HydrophobicContact CG1-CD2 4.28Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 PolarHBondContact O-N 3.04Å; V357-W362 PolarHBondContact O-N 3.18Å; V357-M368 HydrophobicContact CB-CE 4.44Å; V357-M368 HydrophobicContact CB-SD 4.32Å; V357-M368 HydrophobicContact CG1-CE 4.07Å; V357-M368 HydrophobicContact CG1-SD 3.58Å; V357-M368 VanDerWaalsContact CG1-SD 3.58Å |
| 358 | S | 90.9 | Very high | 90.1 | Very high | 36 Ų | 36 | 66.1 Ų | 66.1 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | I | π-helix | trans | -60 | -49.6 | 177.7 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | L354 E355 K360 W362 K363 | L354-S358 VanDerWaalsContact O-CB 3.31Å; L354-S358 WeakPolarHBondContact O-CB 3.48Å; L354-S358 PolarHBondContact O-N 3.35Å; E355-S358 WeakPolarHBondContact O-CB 3.35Å; E355-S358 PolarHBondContact O-N 3.12Å; S358-K360 PolarHBondContact O-N 2.8Å; S358-W362 WeakPolarHBondContact O-CB 3.38Å; S358-W362 PolarHBondContact O-N 2.71Å; S358-K363 PolarHBondContact O-N 3.09Å |
| 359 | E | 90.6 | Very high | 90.1 | Very high | 128 Ų | 128 | 68.4 Ų | 68.4 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | I | π-helix | trans | -65.6 | -39.5 | 179.7 | -71 | -177.5 | 167.9 | 0 | 0 | 113 | E355 K363 | E355-E359 WeakPolarHBondContact O-CG 3.34Å; E355-E359 PolarHBondContact O-N 3.31Å; E359-K363 WeakPolarHBondContact O-CE 3.49Å; E359-K363 WeakPolarHBondContact O-CG 3.32Å |
| 360 | K | 89.5 | Confident | 90.3 | Very high | 103 Ų | 103 | 64.3 Ų | 64.3 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -86.2 | -41.4 | -171.6 | -172.8 | 173.8 | 175.1 | -163.8 | 0 | 113.1 | L356 V357 S358 K363 | L356-K360 WeakPolarHBondContact O-CB 3.25Å; L356-K360 PolarHBondContact O-N 3.38Å; V357-K360 PolarHBondContact O-N 2.97Å; S358-K360 PolarHBondContact O-N 2.8Å; K360-K363 VanDerWaalsContact O-CE 3.3Å; K360-K363 WeakPolarHBondContact O-CE 3.31Å |
| 361 | Y | 87.8 | Confident | 90.5 | Very high | 65 Ų | 65 | 65 Ų | 65 | 26% | 0.255 | 33% | 0.325 | S | S | . | . | I | π-helix | trans | -114.9 | -31.7 | -168.5 | -60.6 | -84.8 | 0 | 0 | 0 | 113.9 | I338 T346 L348 F352 V357 | I338-Y361 HydrophobicContact CG2-CD1 4.25Å; I338-Y361 HydrophobicContact CG2-CG 4.18Å; T346-Y361 HydrophobicContact CG2-CE1 4.23Å; L348-Y361 HydrophobicContact CD2-CD2 3.97Å; L348-Y361 HydrophobicContact CD2-CE2 4.04Å; L348-Y361 HydrophobicContact CD2-CG 4.37Å; F352-Y361 HydrophobicContact CD2-CE2 4.27Å; F352-Y361 HydrophobicContact CE2-CE2 4.17Å; V357-Y361 HydrophobicContact CG1-CD2 4.28Å; V357-Y361 WeakPolarHBondContact O-CB 3.45Å; V357-Y361 PolarHBondContact O-N 3.04Å |
| 362 | W | 89.8 | Confident | 90.5 | Very high | 46 Ų | 46 | 62 Ų | 62 | 17% | 0.174 | 30% | 0.302 | C | S | . | . | I | π-helix | trans | -89.3 | -56 | -176.6 | -168.6 | -121 | 0 | 0 | 0 | 112.6 | I338 P339 V357 S358 V364 K366 P367 M368 E369 | I338-W362 HydrophobicContact CD1-CB 4.34Å; I338-W362 HydrophobicContact CD1-CE3 4.29Å; P339-W362 HydrophobicContact CG-CZ3 4.21Å; V357-W362 PolarHBondContact O-N 3.18Å; S358-W362 WeakPolarHBondContact O-CB 3.38Å; S358-W362 PolarHBondContact O-N 2.71Å; W362-V364 PolarHBondContact NE1-O 2.77Å; W362-V364 WeakPolarHBondContact O-CG2 3.24Å; W362-V364 PolarHBondContact O-N 3.16Å; W362-K366 HydrophobicContact CZ2-CB 4.47Å; W362-K366 PolarHBondContact NE1-O 3.5Å; W362-P367 VanDerWaalsContact CZ2-O 3.23Å; W362-P367 WeakPolarHBondContact CZ2-O 3.19Å; W362-M368 HydrophobicContact CB-CG 4.26Å; W362-M368 HydrophobicContact CB-SD 4.2Å; W362-M368 HydrophobicContact CD2-CB 4.37Å; W362-M368 HydrophobicContact CD2-CG 4.09Å; W362-M368 HydrophobicContact CE3-CG 4.35Å; W362-M368 HydrophobicContact CG-CB 4.28Å; W362-M368 HydrophobicContact CG-CG 4.05Å; W362-E369 HydrophobicContact CH2-CB 3.73Å; W362-E369 HydrophobicContact CH2-CG 3.77Å; W362-E369 HydrophobicContact CZ2-CG 4.39Å; W362-E369 HydrophobicContact CZ3-CB 4.01Å |
| 363 | K | 83.6 | Confident | 90.3 | Very high | 165 Ų | 165 | 60 Ų | 60 | 72% | 0.717 | 29% | 0.293 | S | S | * | . | trans | 52.6 | 23.5 | 176.1 | -61.1 | -179.7 | 178.6 | 177.7 | 0 | 115.2 | S358 E359 K360 | S358-K363 PolarHBondContact O-N 3.09Å; E359-K363 WeakPolarHBondContact O-CE 3.49Å; E359-K363 WeakPolarHBondContact O-CG 3.32Å; K360-K363 VanDerWaalsContact O-CE 3.3Å; K360-K363 WeakPolarHBondContact O-CE 3.31Å | ||
| 364 | V | 84.1 | Confident | 89.9 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.448 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -126 | 139.2 | 179.6 | 177.8 | 0 | 0 | 0 | 0 | 108.9 | W362 K366 | W362-V364 PolarHBondContact NE1-O 2.77Å; W362-V364 WeakPolarHBondContact O-CG2 3.24Å; W362-V364 PolarHBondContact O-N 3.16Å; V364-K366 HydrophobicContact CG1-CB 3.89Å; V364-K366 HydrophobicContact CG1-CD 4.01Å; V364-K366 HydrophobicContact CG1-CG 3.8Å; V364-K366 PolarHBondContact O-N 3.38Å |
| 365 | N | 82.1 | Confident | 89.4 | Confident | 173 Ų | 173 | 64 Ų | 64 | 93% | 0.925 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -81 | 60.9 | 175 | -163 | 10.5 | 0 | 0 | 0 | 111.2 | ||
| 366 | K | 87.9 | Confident | 88.4 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 66% | 0.661 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -142.1 | 157.9 | 176.5 | -73.2 | -175.8 | 179.4 | -178.3 | 0 | 108.6 | W362 V364 M368 | W362-K366 HydrophobicContact CZ2-CB 4.47Å; W362-K366 PolarHBondContact NE1-O 3.5Å; V364-K366 HydrophobicContact CG1-CB 3.89Å; V364-K366 HydrophobicContact CG1-CD 4.01Å; V364-K366 HydrophobicContact CG1-CG 3.8Å; V364-K366 PolarHBondContact O-N 3.38Å; K366-M368 PolarHBondContact O-N 3.3Å |
| 367 | P | 89.7 | Confident | 86.4 | Confident | 56 Ų | 56 | 73.7 Ų | 73.7 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -51.7 | 131.5 | 172.7 | -26.6 | 35.2 | 0 | 0 | 0 | 111.1 | E265 V267 W362 E369 | E265-P367 HydrophobicContact CB-CB 4.15Å; E265-P367 HydrophobicContact CB-CG 4.32Å; E265-P367 CarbonylContact O-C 3.59Å; E265-P367 VanDerWaalsContact O-CA 3.27Å; E265-P367 WeakPolarHBondContact O-CA 3.49Å; V267-P367 HydrophobicContact CG2-CB 4.21Å; W362-P367 VanDerWaalsContact CZ2-O 3.23Å; W362-P367 WeakPolarHBondContact CZ2-O 3.19Å; P367-E369 PolarHBondContact O-N 3.27Å | ||
| 368 | M | 92.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 83.1 Ų | 83.1 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 127.2 | -174.4 | -178.3 | 167.1 | 60.3 | 0 | 0 | 110.6 | I264 E265 L266 V267 I338 L354 V357 W362 K366 L370 | I264-M368 HydrophobicContact CG2-CE 4.5Å; E265-M368 PolarHBondContact O-N 2.82Å; L266-M368 CarbonylContact C-O 3.55Å; L266-M368 WeakPolarHBondContact CA-O 3.48Å; L266-M368 HydrophobicContact CB-CB 4.2Å; L266-M368 VanDerWaalsContact CB-O 3.26Å; L266-M368 WeakPolarHBondContact CB-O 3.26Å; V267-M368 PolarHBondContact N-O 2.94Å; I338-M368 HydrophobicContact CD1-CG 4.29Å; I338-M368 HydrophobicContact CD1-SD 4.05Å; L354-M368 HydrophobicContact CB-CE 4.47Å; L354-M368 HydrophobicContact CD2-CE 4.11Å; V357-M368 HydrophobicContact CB-CE 4.44Å; V357-M368 HydrophobicContact CB-SD 4.32Å; V357-M368 HydrophobicContact CG1-CE 4.07Å; V357-M368 HydrophobicContact CG1-SD 3.58Å; V357-M368 VanDerWaalsContact CG1-SD 3.58Å; W362-M368 HydrophobicContact CB-CG 4.26Å; W362-M368 HydrophobicContact CB-SD 4.2Å; W362-M368 HydrophobicContact CD2-CB 4.37Å; W362-M368 HydrophobicContact CD2-CG 4.09Å; W362-M368 HydrophobicContact CE3-CG 4.35Å; W362-M368 HydrophobicContact CG-CB 4.28Å; W362-M368 HydrophobicContact CG-CG 4.05Å; K366-M368 PolarHBondContact O-N 3.3Å; M368-L370 HydrophobicContact CE-CD1 3.82Å; M368-L370 HydrophobicContact CE-CD2 4.13Å; M368-L370 HydrophobicContact CE-CG 4.11Å; M368-L370 HydrophobicContact CG-CD2 3.93Å; M368-L370 HydrophobicContact CG-CG 4.09Å; M368-L370 HydrophobicContact SD-CD2 4Å; M368-L370 HydrophobicContact SD-CG 4.47Å |
| 369 | E | 93.1 | Very high | 80.9 | Confident | 56 Ų | 56 | 94.2 Ų | 94.2 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 114.4 | 175.2 | -66 | -165.6 | -178.7 | 0 | 0 | 110.6 | V267 R269 P339 W362 P367 Y371 | V267-E369 HydrophobicContact CB-CG 4.41Å; V267-E369 WeakPolarHBondContact O-CA 3.17Å; R269-E369 IonicContact CZ-OE1 2.67Å; R269-E369 IonicContact NH1-OE1 3.37Å; R269-E369 PolarHBondContact NH1-OE1 3.04Å; R269-E369 IonicContact NH1-OE2 3.81Å; R269-E369 PolarHBondContact NH1-OE2 2.83Å; R269-E369 VanDerWaalsContact NH1-OE2 3.09Å; R269-E369 IonicContact NH2-OE1 3.34Å; P339-E369 WeakPolarHBondContact CD-O 3.44Å; W362-E369 HydrophobicContact CH2-CB 3.73Å; W362-E369 HydrophobicContact CH2-CG 3.77Å; W362-E369 HydrophobicContact CZ2-CG 4.39Å; W362-E369 HydrophobicContact CZ3-CB 4.01Å; P367-E369 PolarHBondContact O-N 3.27Å; E369-Y371 HydrophobicContact CB-CE2 4.14Å; E369-Y371 PolarHBondContact OE2-OH 3.49Å |
| 370 | L | 94 | Very high | 80.4 | Confident | 0 Ų | 0 | 92.5 Ų | 92.5 | 0% | 0 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.9 | 175.6 | -62.4 | -177.7 | 0 | 0 | 0 | 110.4 | L266 V267 F268 R269 L302 I336 I338 L348 M368 | L266-L370 HydrophobicContact CD2-CD1 4.26Å; V267-L370 PolarHBondContact O-N 3.43Å; F268-L370 WeakPolarHBondContact CA-O 3.27Å; F268-L370 HydrophobicContact CD2-CB 3.63Å; F268-L370 WeakPolarHBondContact CD2-O 3.23Å; F268-L370 HydrophobicContact CE2-CB 3.7Å; R269-L370 PolarHBondContact N-O 3.3Å; L302-L370 HydrophobicContact CD1-CD1 3.45Å; L302-L370 VanDerWaalsContact CD1-CD1 3.45Å; I336-L370 HydrophobicContact CG2-CB 4.33Å; I336-L370 HydrophobicContact CG2-CD1 4.31Å; I338-L370 HydrophobicContact CB-CD2 4.08Å; I338-L370 HydrophobicContact CD1-CD2 4.11Å; I338-L370 HydrophobicContact CG1-CD2 3.96Å; L348-L370 HydrophobicContact CD1-CD2 3.79Å; M368-L370 HydrophobicContact CE-CD1 3.82Å; M368-L370 HydrophobicContact CE-CD2 4.13Å; M368-L370 HydrophobicContact CE-CG 4.11Å; M368-L370 HydrophobicContact CG-CD2 3.93Å; M368-L370 HydrophobicContact CG-CG 4.09Å; M368-L370 HydrophobicContact SD-CD2 4Å; M368-L370 HydrophobicContact SD-CG 4.47Å |
| 371 | Y | 92.8 | Very high | 79.9 | Confident | 29 Ų | 29 | 91.9 Ų | 91.9 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.8 | -179.4 | -64.8 | -102.7 | 0 | 0 | 0 | 109.9 | R269 P270 I336 Y337 P339 F345 E369 | R269-Y371 HydrophobicContact CB-CD1 3.78Å; R269-Y371 HydrophobicContact CB-CE1 3.73Å; R269-Y371 HydrophobicContact CB-CG 4.45Å; R269-Y371 HydrophobicContact CG-CE1 4.49Å; R269-Y371 PolarHBondContact NH1-OH 3.3Å; R269-Y371 CarbonylContact O-C 3.55Å; R269-Y371 WeakPolarHBondContact O-CA 3.41Å; P270-Y371 WeakPolarHBondContact O-CD1 3.31Å; I336-Y371 CarbonylContact C-O 3.6Å; I336-Y371 WeakPolarHBondContact CA-O 3.36Å; Y337-Y371 PolarHBondContact N-O 3.4Å; Y337-Y371 PolarHBondContact O-N 3.41Å; P339-Y371 HydrophobicContact CB-CE2 4.35Å; P339-Y371 HydrophobicContact CG-CD2 4.38Å; P339-Y371 HydrophobicContact CG-CE2 3.85Å; F345-Y371 HydrophobicContact CD1-CD2 4.17Å; F345-Y371 HydrophobicContact CD1-CG 4.17Å; F345-Y371 AromaticContact CE1-CD1 3.9Å; F345-Y371 HydrophobicContact CE1-CD1 3.9Å; F345-Y371 AromaticContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CD2 3.67Å; F345-Y371 HydrophobicContact CE1-CE1 4.17Å; F345-Y371 AromaticContact CE1-CE2 3.99Å; F345-Y371 HydrophobicContact CE1-CE2 3.99Å; F345-Y371 AromaticContact CE1-CG 3.66Å; F345-Y371 HydrophobicContact CE1-CG 3.66Å; E369-Y371 HydrophobicContact CB-CE2 4.14Å; E369-Y371 PolarHBondContact OE2-OH 3.49Å |
| 372 | F | 91.6 | Very high | 79.5 | Confident | 14 Ų | 14 | 93.4 Ų | 93.4 | 6% | 0.061 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.7 | 177.9 | 67.3 | -96.4 | 0 | 0 | 0 | 112 | F268 R269 P270 H271 M275 L306 Y334 T335 I336 | F268-F372 AromaticContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CD2-CD1 3.95Å; F268-F372 HydrophobicContact CE2-CB 4.07Å; F268-F372 HydrophobicContact CE2-CD1 4.12Å; F268-F372 HydrophobicContact CG-CD1 4.21Å; F268-F372 HydrophobicContact CZ-CB 4.32Å; R269-F372 WeakPolarHBondContact O-CD1 3.48Å; R269-F372 WeakPolarHBondContact O-CE1 3.39Å; R269-F372 PolarHBondContact O-N 2.81Å; P270-F372 HydrophobicContact CB-CZ 4.45Å; H271-F372 WeakPolarHBondContact CB-O 3.41Å; H271-F372 PolarHBondContact N-O 3.3Å; M275-F372 HydrophobicContact SD-CE2 4.17Å; L306-F372 HydrophobicContact CD1-CD1 4.18Å; L306-F372 HydrophobicContact CD1-CD2 4.21Å; L306-F372 HydrophobicContact CD1-CE1 4Å; L306-F372 HydrophobicContact CD1-CE2 4.02Å; L306-F372 HydrophobicContact CD1-CG 4.28Å; L306-F372 HydrophobicContact CD1-CZ 3.91Å; L306-F372 HydrophobicContact CD2-CB 3.42Å; L306-F372 VanDerWaalsContact CD2-CB 3.42Å; L306-F372 HydrophobicContact CD2-CD1 3.81Å; L306-F372 HydrophobicContact CD2-CD2 3.38Å; L306-F372 HydrophobicContact CD2-CE1 4.41Å; L306-F372 HydrophobicContact CD2-CE2 4.03Å; L306-F372 HydrophobicContact CD2-CG 3.25Å; L306-F372 HydrophobicContact CG-CD2 4.33Å; L306-F372 HydrophobicContact CG-CG 4.39Å; Y334-F372 HydrophobicContact CD1-CD2 4.03Å; Y334-F372 HydrophobicContact CE1-CD2 4.37Å; T335-F372 WeakPolarHBondContact O-CA 3.29Å; I336-F372 HydrophobicContact CD1-CB 3.84Å |
| 373 | A | 88.9 | Confident | 78.9 | Confident | 2 Ų | 2 | 96.2 Ų | 96.2 | 2% | 0.017 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 151.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | H271 L274 Y334 T335 Y337 T375 | H271-A373 HydrophobicContact CB-CB 3.95Å; L274-A373 HydrophobicContact CB-CB 3.72Å; L274-A373 HydrophobicContact CD1-CB 4.22Å; Y334-A373 WeakPolarHBondContact CA-O 3.48Å; T335-A373 PolarHBondContact N-O 3.32Å; T335-A373 PolarHBondContact O-N 3Å; T335-A373 VanDerWaalsContact O-N 3.08Å; Y337-A373 HydrophobicContact CE2-CB 3.9Å; A373-T375 PolarHBondContact O-N 3.06Å |
| 374 | P | 87.6 | Confident | 78.6 | Confident | 66 Ų | 66 | 91.9 Ų | 91.9 | 43% | 0.429 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 133.2 | 170.7 | -22.3 | 32.8 | 0 | 0 | 0 | 110.4 | Q333 Y334 K376 | Q333-P374 WeakPolarHBondContact O-CA 3.46Å; Y334-P374 HydrophobicContact CE1-CB 4.5Å; Y334-P374 HydrophobicContact CE1-CG 4.17Å; P374-K376 PolarHBondContact O-N 3.17Å |
| 375 | T | 83.2 | Confident | 78.2 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 31% | 0.307 | 45% | 0.448 | S | S | . | . | trans | -68.7 | 114.9 | 178.2 | -56.9 | 0 | 0 | 0 | 0 | 108.8 | K332 Q333 Y334 T335 A373 E377 | K332-T375 WeakPolarHBondContact O-CB 3.46Å; K332-T375 PolarHBondContact O-OG1 3.47Å; K332-T375 VanDerWaalsContact O-OG1 3.09Å; Q333-T375 PolarHBondContact O-N 3.13Å; Q333-T375 PolarHBondContact O-OG1 2.86Å; Y334-T375 WeakPolarHBondContact CA-OG1 3.27Å; Y334-T375 PolarHBondContact N-OG1 3.07Å; T335-T375 PolarHBondContact N-OG1 3.15Å; T335-T375 VanDerWaalsContact N-OG1 3.1Å; T335-T375 PolarHBondContact OG1-OG1 2.66Å; A373-T375 PolarHBondContact O-N 3.06Å; T375-E377 PolarHBondContact O-N 3.21Å | ||
| 376 | K | 70.9 | Confident | 77.9 | Confident | 153 Ų | 153 | 87.4 Ų | 87.4 | 67% | 0.665 | 41% | 0.414 | S | S | * | . | trans | -75.7 | 103.3 | 170.4 | -63.8 | -174.2 | 179.5 | -171.3 | 0 | 107.3 | P374 H378 | P374-K376 PolarHBondContact O-N 3.17Å; K376-H378 PolarHBondContact O-N 3.34Å | ||
| 377 | E | 50.6 | Low | 77.1 | Confident | 177 Ų | 177 | 82.5 Ų | 82.5 | 83% | 0.827 | 40% | 0.395 | S | S | * | . | trans | -58.5 | 121.8 | 171.6 | -70 | -172.7 | 163 | 0 | 0 | 109 | T375 K379 | T375-E377 PolarHBondContact O-N 3.21Å; E377-K379 PolarHBondContact O-N 3.31Å; E377-K379 VanDerWaalsContact O-N 3.1Å | ||
| 378 | H | 38 | Very low | 76.1 | Confident | 198 Ų | 198 | 84.7 Ų | 84.7 | 92% | 0.917 | 40% | 0.398 | S | S | * | . | trans | -67.4 | 105.2 | 159.4 | -97.7 | -80.8 | 0 | 0 | 0 | 106.5 | K376 | K376-H378 PolarHBondContact O-N 3.34Š| ||
| 379 | K | 29.8 | Very low | 74.6 | Confident | 269 Ų | 269 | 92.2 Ų | 92.2 | 100% | 1.17 | 43% | 0.433 | S | S | * | . | trans | -63.5 | 0 | 170.4 | -153.1 | 179 | -169.9 | 179.1 | 0 | 111.3 | E377 | E377-K379 PolarHBondContact O-N 3.31Å; E377-K379 VanDerWaalsContact O-N 3.1Å |
Retrieved 379 of 379 residues in 60.5 ms
(Link to these results)