| 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 | 52.9 | Low | 67.3 | Low | 237 Ų | 237 | 125.9 Ų | 125.9 | 100% | 1.167 | 65% | 0.645 | S | S | * | * | 0 | 112.3 | 0 | -66 | -57.9 | 150.5 | 0 | 0 | 107.4 | |||||
| 2 | S | 68.1 | Low | 66.9 | Low | 82 Ų | 82 | 120.4 Ų | 120.4 | 57% | 0.573 | 63% | 0.626 | S | S | * | * | trans | -66.4 | 138.8 | -164.1 | 179.8 | 0 | 0 | 0 | 0 | 112.6 | S4 F5 | S2-S4 PolarHBondContact O-N 3.14Å; S2-F5 PolarHBondContact O-N 2.8Å | ||
| 3 | L | 66.1 | Low | 66.3 | Low | 144 Ų | 144 | 120.4 Ų | 120.4 | 75% | 0.754 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -51.2 | -26.5 | 178.7 | -129.3 | 80.1 | 0 | 0 | 0 | 113 | F5 L6 L7 | L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 2.85Å; L3-L6 PolarHBondContact O-N 2.87Å; L3-L7 PolarHBondContact O-N 3.03Å |
| 4 | S | 71.4 | Confident | 66 | Low | 77 Ų | 77 | 120.5 Ų | 120.5 | 54% | 0.538 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -29.8 | 176.5 | -53.8 | 0 | 0 | 0 | 0 | 113.8 | S2 L8 | S2-S4 PolarHBondContact O-N 3.14Å; S4-L8 PolarHBondContact O-N 2.86Å |
| 5 | F | 70.8 | Confident | 65.5 | Low | 152 Ų | 152 | 120.7 Ų | 120.7 | 67% | 0.667 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76.2 | -31.7 | -179.4 | -126.3 | -89.6 | 0 | 0 | 0 | 112.1 | S2 L3 L9 | S2-F5 PolarHBondContact O-N 2.8Å; L3-F5 VanDerWaalsContact C-N 3.29Å; L3-F5 PolarHBondContact O-N 2.85Å; F5-L9 PolarHBondContact O-N 2.88Å |
| 6 | L | 70.7 | Confident | 64.6 | Low | 105 Ų | 105 | 121.3 Ų | 121.3 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.5 | -40.7 | 177.1 | -148.9 | 82.8 | 0 | 0 | 0 | 110.9 | L3 L8 L9 F10 | L3-L6 PolarHBondContact O-N 2.87Å; L6-L8 PolarHBondContact O-N 2.74Å; L6-L9 PolarHBondContact O-N 2.8Å; L6-F10 HydrophobicContact CD2-CE2 3.8Å; L6-F10 HydrophobicContact CG-CD2 4.26Å; L6-F10 HydrophobicContact CG-CE2 3.79Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.92Å; L6-F10 VanDerWaalsContact O-N 3.11Å |
| 7 | L | 69.4 | Low | 63.7 | Low | 99 Ų | 99 | 120.9 Ų | 120.9 | 52% | 0.518 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.3 | -38.7 | 177.7 | -109.9 | 137 | 0 | 0 | 0 | 112.9 | L3 F10 F11 | L3-L7 PolarHBondContact O-N 3.03Å; L7-F10 PolarHBondContact O-N 2.67Å; L7-F11 HydrophobicContact CD2-CD2 4.29Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.74Å; L7-F11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 70.2 | Confident | 62.9 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 63% | 0.634 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.1 | -34.6 | 176.8 | -71.6 | 172.5 | 0 | 0 | 0 | 112.5 | S4 L6 S12 | S4-L8 PolarHBondContact O-N 2.86Å; L6-L8 PolarHBondContact O-N 2.74Å; L8-S12 PolarHBondContact O-N 2.78Å; L8-S12 VanDerWaalsContact O-N 3.14Å |
| 9 | L | 70.1 | Confident | 62.1 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 51% | 0.508 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -68.4 | -39.8 | 174.5 | -71.9 | 170.3 | 0 | 0 | 0 | 111.8 | F5 L6 S12 H13 | F5-L9 PolarHBondContact O-N 2.88Å; L6-L9 PolarHBondContact O-N 2.8Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.18Å; L9-H13 PolarHBondContact O-N 2.76Å |
| 10 | F | 67.4 | Low | 61.6 | Low | 144 Ų | 144 | 123.3 Ų | 123.3 | 63% | 0.632 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65.2 | -40.3 | 175.8 | -78.9 | -66.7 | 0 | 0 | 0 | 113.2 | L6 L7 S12 H13 L14 | L6-F10 HydrophobicContact CD2-CE2 3.8Å; L6-F10 HydrophobicContact CG-CD2 4.26Å; L6-F10 HydrophobicContact CG-CE2 3.79Å; L6-F10 WeakPolarHBondContact O-CD2 3.27Å; L6-F10 PolarHBondContact O-N 2.92Å; L6-F10 VanDerWaalsContact O-N 3.11Å; L7-F10 PolarHBondContact O-N 2.67Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.96Å; F10-H13 PolarHBondContact O-N 3.27Å; F10-L14 PolarHBondContact O-N 2.92Å |
| 11 | F | 63.2 | Low | 60.8 | Low | 127 Ų | 127 | 126.5 Ų | 126.5 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67 | -32 | 175.2 | -93.2 | -80.7 | 0 | 0 | 0 | 112.9 | L7 L14 I15 | L7-F11 HydrophobicContact CD2-CD2 4.29Å; L7-F11 HydrophobicContact CD2-CE2 4.04Å; L7-F11 WeakPolarHBondContact O-CD2 3.28Å; L7-F11 PolarHBondContact O-N 2.74Å; L7-F11 VanDerWaalsContact O-N 3.1Å; F11-L14 PolarHBondContact O-N 2.87Å; F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.39Å |
| 12 | S | 62 | Low | 60.2 | Low | 60 Ų | 60 | 119.1 Ų | 119.1 | 42% | 0.42 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.5 | -36.4 | 177.1 | 75.5 | 0 | 0 | 0 | 0 | 113.1 | L8 L9 F10 L16 | L8-S12 PolarHBondContact O-N 2.78Å; L8-S12 VanDerWaalsContact O-N 3.14Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.18Å; F10-S12 VanDerWaalsContact C-N 3.31Å; F10-S12 PolarHBondContact O-N 2.96Å; S12-L16 PolarHBondContact O-N 2.63Å |
| 13 | H | 59.8 | Low | 59 | Low | 120 Ų | 120 | 122 Ų | 122 | 56% | 0.556 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -73.4 | -31.1 | 176.9 | -91.4 | -69.7 | 0 | 0 | 0 | 113.3 | L9 F10 I15 L16 N17 | L9-H13 PolarHBondContact O-N 2.76Å; F10-H13 PolarHBondContact O-N 3.27Å; H13-I15 VanDerWaalsContact C-N 3.35Å; H13-L16 PolarHBondContact O-N 2.91Å; H13-N17 PolarHBondContact O-N 2.7Å; H13-N17 PolarHBondContact O-ND2 3.34Å |
| 14 | L | 61.4 | Low | 57.7 | Low | 122 Ų | 122 | 123.2 Ų | 123.2 | 64% | 0.639 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -69.8 | -32.6 | 179.1 | -161.5 | 68.3 | 0 | 0 | 0 | 112.5 | F10 F11 | F10-L14 PolarHBondContact O-N 2.92Å; F11-L14 PolarHBondContact O-N 2.87Å |
| 15 | I | 58.9 | Low | 56.1 | Low | 124 Ų | 124 | 130.2 Ų | 130.2 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.9 | -28.8 | 179.6 | -62 | 168.2 | 0 | 0 | 0 | 111.5 | F11 H13 | F11-I15 WeakPolarHBondContact O-CG1 3.48Å; F11-I15 PolarHBondContact O-N 3.39Å; H13-I15 VanDerWaalsContact C-N 3.35Å |
| 16 | L | 51.9 | Low | 54.5 | Low | 130 Ų | 130 | 130.8 Ų | 130.8 | 68% | 0.681 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -75.8 | -31.1 | 179 | -141 | 73.8 | 0 | 0 | 0 | 112.8 | S12 H13 A18 | S12-L16 PolarHBondContact O-N 2.63Å; H13-L16 PolarHBondContact O-N 2.91Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.18Å |
| 17 | N | 48.6 | Very low | 53.1 | Low | 114 Ų | 114 | 132 Ų | 132 | 61% | 0.61 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.7 | -17.6 | 179.9 | -69.9 | -20.1 | 0 | 0 | 0 | 113.7 | H13 W19 | H13-N17 PolarHBondContact O-N 2.7Å; H13-N17 PolarHBondContact O-ND2 3.34Å; N17-W19 VanDerWaalsContact C-N 3.3Å; N17-W19 PolarHBondContact O-N 3.17Å |
| 18 | A | 48.8 | Very low | 52.2 | Low | 89 Ų | 89 | 132.5 Ų | 132.5 | 74% | 0.736 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -8.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114 | L16 | L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 3.18Å |
| 19 | W | 48.5 | Very low | 50.4 | Low | 248 Ų | 248 | 136.2 Ų | 136.2 | 94% | 0.939 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | 3.8 | -179.2 | -153.9 | 38.6 | 0 | 0 | 0 | 114 | N17 | N17-W19 VanDerWaalsContact C-N 3.3Å; N17-W19 PolarHBondContact O-N 3.17Å |
| 20 | A | 50.8 | Low | 48.5 | Very low | 74 Ų | 74 | 135.7 Ų | 135.7 | 61% | 0.612 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -108.9 | 2.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 21 | H | 45.1 | Very low | 47.2 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 88% | 0.884 | 73% | 0.727 | S | S | * | * | trans | -124.1 | 97.8 | 174.1 | -94 | -82.5 | 0 | 0 | 0 | 112 | ||||
| 22 | G | 41.8 | Very low | 45.7 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -168.1 | 51 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 23 | E | 42.5 | Very low | 44.1 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.673 | 76% | 0.758 | S | S | * | * | trans | -99.5 | 137.2 | 175.6 | -91 | -161.2 | 145.1 | 0 | 0 | 111.7 | ||||
| 24 | K | 38.4 | Very low | 44.2 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | 63.6 | 148.9 | 138.5 | -60.9 | 168 | -176.1 | 158.8 | 0 | 116.8 | ||||
| 25 | R | 38.5 | Very low | 42.9 | Very low | 225 Ų | 225 | 139.5 Ų | 139.5 | 85% | 0.849 | 78% | 0.783 | S | S | * | * | cis | 177.5 | 148.4 | -6.3 | 171.7 | -177.8 | -170.2 | -171 | 3.7 | 102.1 | ||||
| 26 | L | 35.5 | Very low | 41.9 | Very low | 163 Ų | 163 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 165 | 134.7 | 136.6 | -86.1 | 159.5 | 0 | 0 | 0 | 113.5 | ||||
| 27 | V | 42.3 | Very low | 41.3 | Very low | 130 Ų | 130 | 138.7 Ų | 138.7 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -125.3 | 140.2 | 163.6 | 162.9 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 28 | P | 50.1 | Low | 40.6 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | -158.1 | 161.5 | 93.4 | 39 | -16.7 | 0 | 0 | 0 | 119.9 | |||||
| 29 | K | 33.4 | Very low | 40.1 | Very low | 200 Ų | 200 | 147.6 Ų | 147.6 | 87% | 0.87 | 82% | 0.816 | S | S | * | * | trans | 71 | 120.1 | 142.1 | -96.9 | -178.4 | 171 | 179.8 | 0 | 121.8 | ||||
| 30 | G | 30.6 | Very low | 39.7 | Very low | 85 Ų | 85 | 143.4 Ų | 143.4 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | -169.3 | 113.6 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 31 | Q | 38.2 | Very low | 39.6 | Very low | 174 Ų | 174 | 145.8 Ų | 145.8 | 81% | 0.813 | 82% | 0.821 | S | S | * | * | trans | -122.4 | 140 | -171.4 | 177.3 | 179.7 | 16.5 | 0 | 0 | 108.6 | ||||
| 32 | L | 31.9 | Very low | 39.3 | Very low | 175 Ų | 175 | 148.7 Ų | 148.7 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | 171.2 | 126.2 | 143.9 | -94.8 | 146.5 | 0 | 0 | 0 | 110.7 | ||||
| 33 | G | 30 | Very low | 38.8 | Very low | 69 Ų | 69 | 148.6 Ų | 148.6 | 71% | 0.711 | 82% | 0.823 | S | S | * | * | trans | -92.7 | -139.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 34 | P | 60.7 | Low | 38.6 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | -127.4 | 170.4 | -52.1 | 38 | -24.2 | 0 | 0 | 0 | 111.6 | |||||
| 35 | A | 34.4 | Very low | 38.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -166.4 | 126.9 | 153 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 36 | A | 37.1 | Very low | 38.3 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 83% | 0.829 | S | S | * | * | trans | -80.1 | 154.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | T | 39.4 | Very low | 38.2 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -161 | 120.7 | 145 | 0.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 38 | D | 34.3 | Very low | 37.8 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | trans | -49 | 147.6 | 158 | -81.9 | -58.2 | 0 | 0 | 0 | 112.5 | ||||
| 39 | R | 39.6 | Very low | 37.1 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | 175.8 | 117.2 | 122.8 | -95.5 | 165.5 | -175.4 | -174.6 | 2.3 | 111.8 | |||||
| 40 | N | 38.4 | Very low | 37.2 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -64.1 | 154.2 | 148.8 | -96 | -41.5 | 0 | 0 | 0 | 109.7 | ||||
| 41 | P | 49.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | -139.4 | 156.3 | 111.3 | 32 | -15.9 | 0 | 0 | 0 | 115.1 | |||||
| 42 | R | 38.1 | Very low | 37.2 | Very low | 252 Ų | 252 | 137.8 Ų | 137.8 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | -69 | 141.4 | 174.4 | -156.3 | 179.9 | -162.2 | -168.3 | 4 | 110.4 | ||||
| 43 | G | 32.6 | Very low | 37.3 | Very low | 79 Ų | 79 | 134.2 Ų | 134.2 | 81% | 0.814 | 82% | 0.815 | S | S | * | * | trans | -169.4 | 103 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | S | 37.9 | Very low | 37.6 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -72.3 | 141.8 | 173.1 | 45.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 45 | S | 35.4 | Very low | 36.4 | Very low | 124 Ų | 124 | 138.5 Ų | 138.5 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | 177.8 | 141.9 | 126.5 | 36.2 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 46 | S | 34.8 | Very low | 36.5 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | trans | -59.6 | 152.5 | 174.6 | 52.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 47 | R | 34.1 | Very low | 36.5 | Very low | 217 Ų | 217 | 140.5 Ų | 140.5 | 82% | 0.819 | 82% | 0.822 | S | S | * | * | 179.7 | 122.4 | 115 | -96.7 | 167.6 | -178.8 | -164.6 | -0.1 | 113 | |||||
| 48 | Q | 33.4 | Very low | 36.4 | Very low | 179 Ų | 179 | 139.5 Ų | 139.5 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | 45.2 | 119.7 | 134.3 | -67.2 | 171.4 | -12.8 | 0 | 0 | 120.8 | ||||
| 49 | S | 35.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | -157.7 | 114.9 | 126.9 | 34.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 50 | S | 34.1 | Very low | 36.4 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -50.1 | 162 | 151.7 | 45.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 51 | S | 34.6 | Very low | 36.3 | Very low | 104 Ų | 104 | 128.4 Ų | 128.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | cis | 176.4 | 141.3 | 3.1 | 41 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 52 | S | 35 | Very low | 35.9 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | 176 | 104.4 | 136.6 | 52.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 53 | A | 33.5 | Very low | 36.3 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -75.4 | 142 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 54 | M | 37.3 | Very low | 36.4 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -137.9 | 107.7 | 156.6 | 54.3 | -171.5 | 125.4 | 0 | 0 | 108.5 | ||||
| 55 | S | 36 | Very low | 36.4 | Very low | 113 Ų | 113 | 123.2 Ų | 123.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | trans | -80.9 | 138.2 | 168.7 | -25.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 56 | S | 35.9 | Very low | 36.6 | Very low | 119 Ų | 119 | 123.1 Ų | 123.1 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -160.8 | 116.5 | 141.7 | 46.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 57 | S | 37.6 | Very low | 36.7 | Very low | 120 Ų | 120 | 127 Ų | 127 | 84% | 0.839 | 82% | 0.824 | S | S | * | * | trans | -80.7 | 142.6 | 160.7 | 40.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 58 | S | 37.1 | Very low | 36.8 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | -162.3 | 139.8 | 149.2 | 41.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 59 | A | 37.6 | Very low | 37.2 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | trans | -92.1 | 152.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 60 | S | 34.6 | Very low | 37.3 | Very low | 113 Ų | 113 | 120.4 Ų | 120.4 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | 175.8 | 144.6 | 157.8 | 54.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 61 | S | 36.8 | Very low | 37.2 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | 178.3 | 131 | 2.6 | 39.3 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 62 | S | 41.2 | Very low | 37.2 | Very low | 122 Ų | 122 | 119.3 Ų | 119.3 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 139.3 | 166.8 | -56 | 0 | 0 | 0 | 0 | 109.6 | ||
| 63 | P | 48.2 | Very low | 37.6 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 130.8 | 167.1 | 31.4 | -24.7 | 0 | 0 | 0 | 110.6 | ||
| 64 | A | 33 | Very low | 37.9 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 167.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 65 | A | 37.9 | Very low | 38.4 | Very low | 106 Ų | 106 | 121 Ų | 121 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 152 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 66 | S | 41.1 | Very low | 38.6 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -127.7 | 118.8 | 157.2 | 58 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 67 | L | 36.4 | Very low | 39 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 96% | 0.958 | 82% | 0.816 | S | S | * | * | trans | -78.3 | 136.8 | 169.7 | -153 | 82.8 | 0 | 0 | 0 | 108.8 | ||||
| 68 | G | 35.5 | Very low | 39 | Very low | 80 Ų | 80 | 120.9 Ų | 120.9 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -157 | 124.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 69 | S | 41.5 | Very low | 39.3 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -113.6 | 155.8 | -169.3 | -173.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 70 | Q | 37.3 | Very low | 39.2 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 100.1 | 103.9 | 159.5 | -56.2 | -111 | 37 | 0 | 0 | 118.3 | ||||
| 71 | G | 32.5 | Very low | 39.3 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | 99.4 | 99.1 | 113.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 72 | S | 34.3 | Very low | 39.8 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 175.3 | 126.7 | 130.4 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 73 | G | 44.4 | Very low | 40.2 | Very low | 82 Ų | 82 | 132.5 Ų | 132.5 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -65.4 | 132.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 74 | L | 39 | Very low | 40.6 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | trans | -143.9 | 112.1 | 153.6 | -105.7 | 138.3 | 0 | 0 | 0 | 105.9 | Q76 | L74-Q76 PolarHBondContact O-N 2.94Š| ||
| 75 | E | 49.1 | Very low | 42.4 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | trans | -53.6 | 92 | 162.2 | -100.4 | -88.5 | 128.8 | 0 | 0 | 107.9 | ||||
| 76 | Q | 39.3 | Very low | 44.6 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | trans | -118.1 | 114.2 | 162.1 | -97.5 | 168.5 | 1.2 | 0 | 0 | 105.5 | L74 S78 | L74-Q76 PolarHBondContact O-N 2.94Å; Q76-S78 PolarHBondContact O-N 3.07Å | ||
| 77 | S | 44.8 | Very low | 47 | Very low | 87 Ų | 87 | 126.8 Ų | 126.8 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -36 | 106.6 | 172.1 | 50.1 | 0 | 0 | 0 | 0 | 109.3 | F79 | S77-F79 PolarHBondContact O-N 3.24Å; S77-F79 WeakPolarHBondContact OG-CE2 3.38Å | ||
| 78 | S | 37.2 | Very low | 49.7 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -68.4 | 85.7 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 106.3 | Q76 Q80 | Q76-S78 PolarHBondContact O-N 3.07Å; S78-Q80 PolarHBondContact O-N 2.68Å | ||
| 79 | F | 43.2 | Very low | 52.5 | Low | 173 Ų | 173 | 117.4 Ų | 117.4 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -60.2 | 88.8 | 152.2 | -67.4 | -73.4 | 0 | 0 | 0 | 104.9 | S77 W81 | S77-F79 PolarHBondContact O-N 3.24Å; S77-F79 WeakPolarHBondContact OG-CE2 3.38Å; F79-W81 PolarHBondContact O-N 3.22Å | ||
| 80 | Q | 35.8 | Very low | 55.1 | Low | 168 Ų | 168 | 112.9 Ų | 112.9 | 79% | 0.785 | 64% | 0.637 | S | S | * | * | trans | -67.6 | 79.6 | 174.3 | -173.6 | 170 | -0.9 | 0 | 0 | 106.5 | S78 S82 | S78-Q80 PolarHBondContact O-N 2.68Å; Q80-S82 PolarHBondContact O-N 2.84Å; Q80-S82 VanDerWaalsContact O-N 3.07Å | ||
| 81 | W | 36.8 | Very low | 57.9 | Low | 241 Ų | 241 | 104.1 Ų | 104.1 | 91% | 0.913 | 60% | 0.596 | S | S | * | * | trans | -58.2 | 115.2 | 165.6 | -98.7 | -27.7 | 0 | 0 | 0 | 106.3 | F79 | F79-W81 PolarHBondContact O-N 3.22Š| ||
| 82 | S | 47.8 | Very low | 60.9 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 60% | 0.601 | 57% | 0.571 | S | S | * | * | trans | -44.5 | 130.2 | 171 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | Q80 S84 | Q80-S82 PolarHBondContact O-N 2.84Å; Q80-S82 VanDerWaalsContact O-N 3.07Å; S82-S84 PolarHBondContact O-N 2.86Å | ||
| 83 | P | 48.8 | Very low | 63.8 | Low | 138 Ų | 138 | 97.7 Ų | 97.7 | 90% | 0.896 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -62.4 | 21.3 | -170 | -27.5 | 35.4 | 0 | 0 | 0 | 118.3 | ||
| 84 | S | 58 | Low | 66.2 | Low | 64 Ų | 64 | 97.7 Ų | 97.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | trans | -142.7 | 113.1 | 168.4 | 63.7 | 0 | 0 | 0 | 0 | 108 | S82 R86 | S82-S84 PolarHBondContact O-N 2.86Å; S84-R86 PolarHBondContact O-N 2.77Å | ||
| 85 | G | 69 | Low | 68.8 | Low | 57 Ų | 57 | 91 Ų | 91 | 59% | 0.588 | 47% | 0.471 | S | S | * | . | trans | -62.9 | 29.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F124 A125 | G85-F124 WeakPolarHBondContact O-CA 3.24Å; G85-A125 PolarHBondContact O-N 2.88Å | ||
| 86 | R | 85.3 | Confident | 71 | Confident | 126 Ų | 126 | 84 Ų | 84 | 48% | 0.475 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 117 | 179.4 | -63.6 | 172.2 | 175.2 | -95.9 | 0.4 | 106.9 | S84 E122 I123 F124 | S84-R86 PolarHBondContact O-N 2.77Å; R86-E122 HydrophobicContact CB-CG 4.29Å; R86-E122 WeakPolarHBondContact CD-OE1 3.21Å; R86-E122 IonicContact CZ-OE1 3.71Å; R86-E122 IonicContact NE-OE1 3.86Å; R86-E122 IonicContact NH1-OE1 2.76Å; R86-E122 PolarHBondContact NH1-OE1 2.85Å; R86-I123 CarbonylContact C-O 3.51Å; R86-I123 WeakPolarHBondContact CA-O 3.33Å; R86-F124 HydrophobicContact CG-CB 3.77Å |
| 87 | R | 91.5 | Very high | 73.6 | Confident | 91 Ų | 91 | 82 Ų | 82 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.5 | -179.6 | -56.1 | 174.9 | -67.7 | 178.2 | -2.3 | 107.9 | I123 E164 F219 | R87-I123 PolarHBondContact N-O 2.8Å; R87-I123 PolarHBondContact O-N 3.1Å; R87-E164 IonicContact CZ-OE2 3.89Å; R87-E164 IonicContact NH2-OE1 2.89Å; R87-E164 PolarHBondContact NH2-OE1 2.87Å; R87-E164 IonicContact NH2-OE2 3.95Å; R87-E164 PolarHBondContact NH2-OE2 3.3Å; R87-F219 HydrophobicContact CB-CD1 3.48Å; R87-F219 VanDerWaalsContact CB-CD1 3.48Å; R87-F219 HydrophobicContact CB-CD2 4.44Å; R87-F219 HydrophobicContact CB-CE1 3.31Å; R87-F219 HydrophobicContact CB-CE2 4.3Å; R87-F219 HydrophobicContact CB-CG 4.06Å; R87-F219 HydrophobicContact CB-CZ 3.76Å; R87-F219 HydrophobicContact CG-CE1 4.32Å; R87-F219 HydrophobicContact CG-CZ 4.3Å; R87-F219 VanDerWaalsContact CZ-CZ 3.49Å |
| 88 | T | 93.8 | Very high | 76 | Confident | 59 Ų | 59 | 77.9 Ų | 77.9 | 36% | 0.362 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 130.3 | -179.3 | -56.8 | 0 | 0 | 0 | 0 | 110.2 | I120 L121 V136 F219 K220 | T88-I120 HydrophobicContact CG2-CG2 3.84Å; T88-L121 CarbonylContact C-O 3.35Å; T88-L121 WeakPolarHBondContact CA-O 3.32Å; T88-V136 HydrophobicContact CG2-CG2 4.06Å; T88-F219 WeakPolarHBondContact O-CA 3.13Å; T88-K220 PolarHBondContact O-N 3.39Å |
| 89 | G | 93.9 | Very high | 78.8 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 7% | 0.072 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.7 | -157.5 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I120 L121 R218 | G89-I120 CarbonylContact O-C 3.5Å; G89-I120 WeakPolarHBondContact O-CA 3.23Å; G89-L121 PolarHBondContact N-O 2.76Å; G89-L121 PolarHBondContact O-N 2.86Å; G89-L121 VanDerWaalsContact O-O 3.11Å; G89-R218 CarbonylContact C-O 3.43Å; G89-R218 WeakPolarHBondContact CA-O 3.49Å |
| 90 | S | 94.9 | Very high | 81.4 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.3 | 171.7 | 59.1 | 0 | 0 | 0 | 0 | 110.1 | S119 R218 | S90-S119 WeakPolarHBondContact CA-O 3.1Å; S90-S119 WeakPolarHBondContact CB-O 3.45Å; S90-R218 PolarHBondContact N-O 3.42Å; S90-R218 PolarHBondContact O-N 2.65Å; S90-R218 PolarHBondContact OG-NE 2.84Å; S90-R218 PolarHBondContact OG-NH2 3.46Å |
| 91 | L | 96.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 104.9 | 172.3 | -73.5 | 177.1 | 0 | 0 | 0 | 109.2 | H100 L101 L121 I123 I133 Y174 F215 P217 | L91-H100 WeakPolarHBondContact O-CA 3.24Å; L91-L101 HydrophobicContact CB-CB 4.08Å; L91-L101 HydrophobicContact CD1-CD2 4.06Å; L91-L101 PolarHBondContact O-N 2.72Å; L91-L121 HydrophobicContact CB-CD1 4.02Å; L91-L121 HydrophobicContact CD1-CD1 3.83Å; L91-L121 HydrophobicContact CG-CD1 3.93Å; L91-I123 HydrophobicContact CD1-CD1 4.19Å; L91-I123 HydrophobicContact CD2-CD1 3.6Å; L91-I123 HydrophobicContact CG-CD1 4.01Å; L91-I133 HydrophobicContact CD1-CD1 3.84Å; L91-I133 HydrophobicContact CD1-CG2 4.29Å; L91-Y174 HydrophobicContact CD1-CE2 4.06Å; L91-Y174 HydrophobicContact CD2-CE2 3.82Å; L91-F215 HydrophobicContact CB-CD1 4.11Å; L91-F215 HydrophobicContact CD2-CB 4.37Å; L91-P217 HydrophobicContact CD2-CB 4.09Å; L91-P217 HydrophobicContact CD2-CG 4.06Å |
| 92 | Y | 96.3 | Very high | 87.2 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 22% | 0.216 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 122 | -178 | 174.9 | -105.9 | 0 | 0 | 0 | 111.6 | R94 G98 H100 F215 L216 | Y92-R94 HydrophobicContact CE1-CB 4.23Å; Y92-G98 WeakPolarHBondContact OH-CA 3.35Å; Y92-H100 AromaticContact CD2-CD2 3.9Å; Y92-H100 AromaticContact CD2-CE1 3.85Å; Y92-H100 AromaticContact CD2-NE2 3.4Å; Y92-H100 WeakPolarHBondContact CD2-NE2 3.42Å; Y92-F215 CarbonylContact O-C 3.57Å; Y92-F215 WeakPolarHBondContact O-CA 3.49Å; Y92-L216 HydrophobicContact CD1-CB 4.41Å; Y92-L216 PolarHBondContact N-O 3.5Å; Y92-L216 PolarHBondContact O-N 3.45Å |
| 93 | C | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.2 | 174.1 | -172 | 0 | 0 | 0 | 0 | 110.1 | V95 G98 F99 L192 H214 F215 | C93-V95 HydrophobicContact CB-CG1 4.37Å; C93-V95 PolarHBondContact O-N 2.81Å; C93-V95 VanDerWaalsContact SG-CG1 3.53Å; C93-G98 CarbonylContact O-C 3.57Å; C93-G98 VanDerWaalsContact O-CA 3.27Å; C93-G98 WeakPolarHBondContact O-CA 3.12Å; C93-F99 PolarHBondContact N-O 3.38Å; C93-F99 PolarHBondContact O-N 3.11Å; C93-L192 HydrophobicContact CB-CD1 4.07Å; C93-H214 WeakPolarHBondContact CA-O 3.21Å; C93-H214 PolarHBondContact SG-O 2.83Å; C93-F215 HydrophobicContact CB-CD1 3.74Å; C93-F215 HydrophobicContact CB-CE1 3.62Å; C93-F215 HydrophobicContact CB-CZ 4.29Å |
| 94 | R | 93.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | trans | -73.5 | 10.7 | -179.9 | 64.5 | 167.3 | 169.6 | -177.7 | -1.5 | 115.3 | Y92 N169 Y171 H214 | Y92-R94 HydrophobicContact CE1-CB 4.23Å; R94-N169 PolarHBondContact NH2-ND2 2.84Å; R94-Y171 HydrophobicContact CB-CE1 4.17Å; R94-Y171 HydrophobicContact CG-CE1 3.93Å; R94-H214 PolarHBondContact NH2-ND1 2.95Å; R94-H214 VanDerWaalsContact NH2-ND1 3.2Å | ||
| 95 | V | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -72.6 | 135.1 | -177.1 | 70 | 0 | 0 | 0 | 0 | 110.6 | C93 I97 G98 F99 L192 N193 K194 I211 | C93-V95 HydrophobicContact CB-CG1 4.37Å; C93-V95 PolarHBondContact O-N 2.81Å; C93-V95 VanDerWaalsContact SG-CG1 3.53Å; V95-I97 PolarHBondContact O-N 2.96Å; V95-G98 PolarHBondContact O-N 2.73Å; V95-G98 VanDerWaalsContact O-N 3.08Å; V95-F99 HydrophobicContact CG1-CD2 3.88Å; V95-F99 HydrophobicContact CG1-CE2 4.36Å; V95-F99 WeakPolarHBondContact O-CD2 3.3Å; V95-F99 WeakPolarHBondContact O-CE2 3.35Å; V95-L192 HydrophobicContact CG1-CB 4.04Å; V95-N193 WeakPolarHBondContact CG1-O 3.45Å; V95-K194 HydrophobicContact CG2-CG 3.92Å; V95-I211 HydrophobicContact CG2-CD1 4.33Å; V95-I211 HydrophobicContact CG2-CG1 4.41Å |
| 96 | G | 93.4 | Very high | 94.9 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 49% | 0.485 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -123.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | G98 | G96-G98 VanDerWaalsContact C-N 3.31Š|
| 97 | I | 94.3 | Very high | 95.3 | Very high | 116 Ų | 116 | 37.3 Ų | 37.3 | 60% | 0.595 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.6 | 175 | 60.3 | 170.7 | 0 | 0 | 0 | 113.4 | V95 F99 H113 | V95-I97 PolarHBondContact O-N 2.96Å; I97-F99 HydrophobicContact CD1-CE1 4.36Å; I97-F99 HydrophobicContact CD1-CZ 4.3Å; I97-F99 HydrophobicContact CG1-CE1 4.1Å; I97-F99 HydrophobicContact CG1-CE2 4.19Å; I97-F99 HydrophobicContact CG1-CZ 3.69Å; I97-H113 HydrophobicContact CD1-CB 3.96Å |
| 98 | G | 95.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | 94.6 | 136.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y92 C93 V95 G96 H113 | Y92-G98 WeakPolarHBondContact OH-CA 3.35Å; C93-G98 CarbonylContact O-C 3.57Å; C93-G98 VanDerWaalsContact O-CA 3.27Å; C93-G98 WeakPolarHBondContact O-CA 3.12Å; V95-G98 PolarHBondContact O-N 2.73Å; V95-G98 VanDerWaalsContact O-N 3.08Å; G96-G98 VanDerWaalsContact C-N 3.31Å; G98-H113 PolarHBondContact O-CD2 3.02Å | ||
| 99 | F | 97.3 | Very high | 95.7 | Very high | 15 Ų | 15 | 36.7 Ų | 36.7 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 136.6 | -178.2 | -60.1 | -82.3 | 0 | 0 | 0 | 112 | C93 V95 I97 S112 L192 K194 G196 | C93-F99 PolarHBondContact N-O 3.38Å; C93-F99 PolarHBondContact O-N 3.11Å; V95-F99 HydrophobicContact CG1-CD2 3.88Å; V95-F99 HydrophobicContact CG1-CE2 4.36Å; V95-F99 WeakPolarHBondContact O-CD2 3.3Å; V95-F99 WeakPolarHBondContact O-CE2 3.35Å; I97-F99 HydrophobicContact CD1-CE1 4.36Å; I97-F99 HydrophobicContact CD1-CZ 4.3Å; I97-F99 HydrophobicContact CG1-CE1 4.1Å; I97-F99 HydrophobicContact CG1-CE2 4.19Å; I97-F99 HydrophobicContact CG1-CZ 3.69Å; F99-S112 CarbonylContact C-O 3.52Å; F99-S112 WeakPolarHBondContact CA-O 3.48Å; F99-L192 HydrophobicContact CB-CD1 3.89Å; F99-K194 WeakPolarHBondContact CE2-O 3.4Å; F99-K194 WeakPolarHBondContact CZ-O 3.04Å; F99-G196 VanDerWaalsContact CD1-CA 3.5Å; F99-G196 VanDerWaalsContact CZ-N 3.31Å |
| 100 | H | 96.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.1 | 167.7 | -56.2 | 90.5 | 0 | 0 | 0 | 109.6 | L91 Y92 Q102 G111 S112 H113 R218 | L91-H100 WeakPolarHBondContact O-CA 3.24Å; Y92-H100 AromaticContact CD2-CD2 3.9Å; Y92-H100 AromaticContact CD2-CE1 3.85Å; Y92-H100 AromaticContact CD2-NE2 3.4Å; Y92-H100 WeakPolarHBondContact CD2-NE2 3.42Å; H100-Q102 PolarHBondContact O-N 2.96Å; H100-G111 CarbonylContact O-C 3.55Å; H100-G111 WeakPolarHBondContact O-CA 3.43Å; H100-S112 PolarHBondContact N-O 3.16Å; H100-S112 PolarHBondContact ND1-O 2.79Å; H100-S112 PolarHBondContact O-N 3.06Å; H100-H113 PolarHBondContact CE1-O 3.42Å; H100-H113 PolarHBondContact ND1-O 2.82Å; H100-R218 PolarHBondContact CD2-NH2 3.35Å; H100-R218 VanDerWaalsContact CD2-NH2 3.29Å; H100-R218 PolarHBondContact NE2-NH1 2.93Å; H100-R218 PolarHBondContact NE2-NH2 3.28Å |
| 101 | L | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 132 | 174.2 | -172.5 | 69.5 | 0 | 0 | 0 | 110.2 | L91 V109 S119 L121 L142 L192 F215 | L91-L101 HydrophobicContact CB-CB 4.08Å; L91-L101 HydrophobicContact CD1-CD2 4.06Å; L91-L101 PolarHBondContact O-N 2.72Å; L101-V109 HydrophobicContact CD1-CG1 3.69Å; L101-V109 HydrophobicContact CG-CG1 4.43Å; L101-S119 WeakPolarHBondContact O-CA 3.4Å; L101-L121 HydrophobicContact CB-CD1 4.1Å; L101-L121 HydrophobicContact CD2-CD1 4.04Å; L101-L121 HydrophobicContact CG-CD1 4.31Å; L101-L142 HydrophobicContact CD2-CD2 3.96Å; L101-L192 HydrophobicContact CD1-CD1 4.35Å; L101-L192 HydrophobicContact CD1-CD2 3.92Å; L101-L192 HydrophobicContact CD1-CG 4.39Å; L101-F215 HydrophobicContact CB-CE1 4.41Å |
| 102 | Q | 96.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.019 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.4 | -178 | -70.7 | 179.4 | -29.7 | 0 | 0 | 111.1 | H100 Y104 V109 N110 L118 | H100-Q102 PolarHBondContact O-N 2.96Å; Q102-Y104 HydrophobicContact CB-CD2 4.44Å; Q102-Y104 HydrophobicContact CB-CE2 3.97Å; Q102-Y104 PolarHBondContact OE1-OH 3.12Å; Q102-V109 WeakPolarHBondContact O-CA 3.37Å; Q102-N110 WeakPolarHBondContact CA-O 3.25Å; Q102-N110 PolarHBondContact N-O 3.43Å; Q102-N110 PolarHBondContact O-N 3.34Å; Q102-L118 WeakPolarHBondContact CA-O 3.4Å; Q102-L118 HydrophobicContact CB-CB 4.21Å; Q102-L118 HydrophobicContact CG-CB 4.18Å |
| 103 | I | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 106.6 | 177.7 | -58.2 | -177.6 | 0 | 0 | 0 | 108.5 | L118 L121 I133 S138 K140 L142 A152 | I103-L118 PolarHBondContact N-O 3.33Å; I103-L121 HydrophobicContact CB-CD2 4.47Å; I103-L121 HydrophobicContact CD1-CD2 3.68Å; I103-L121 HydrophobicContact CG1-CD2 3.83Å; I103-I133 HydrophobicContact CD1-CG2 4.44Å; I103-S138 WeakPolarHBondContact CG2-OG 3.37Å; I103-S138 WeakPolarHBondContact O-CB 2.84Å; I103-S138 PolarHBondContact O-OG 3.23Å; I103-K140 HydrophobicContact CG2-CB 4.22Å; I103-L142 HydrophobicContact CD1-CB 3.96Å; I103-A152 HydrophobicContact CG2-CB 3.42Å; I103-A152 VanDerWaalsContact CG2-CB 3.42Å |
| 104 | Y | 96.7 | Very high | 95.5 | Very high | 71 Ų | 71 | 49.2 Ų | 49.2 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | trans | -79.6 | 147.7 | -178.3 | -72.3 | -101.7 | 0 | 0 | 0 | 111.5 | Q102 D106 G107 K108 N110 L118 | Q102-Y104 HydrophobicContact CB-CD2 4.44Å; Q102-Y104 HydrophobicContact CB-CE2 3.97Å; Q102-Y104 PolarHBondContact OE1-OH 3.12Å; Y104-D106 PolarHBondContact O-N 2.89Å; Y104-G107 PolarHBondContact O-N 3.37Å; Y104-G107 VanDerWaalsContact O-N 3.13Å; Y104-K108 WeakPolarHBondContact CB-O 3.46Å; Y104-K108 PolarHBondContact N-O 2.89Å; Y104-N110 HydrophobicContact CE2-CB 4.16Å; Y104-L118 HydrophobicContact CD1-CD1 3.67Å; Y104-L118 HydrophobicContact CE1-CD1 3.48Å; Y104-L118 VanDerWaalsContact CE1-CD1 3.48Å; Y104-L118 HydrophobicContact CE2-CD1 4.47Å; Y104-L118 HydrophobicContact CG-CD1 4.27Å | ||
| 105 | P | 95.9 | Very high | 95.3 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 40% | 0.403 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -25.8 | 171.8 | 26.8 | -34.5 | 0 | 0 | 0 | 112.4 | G107 K140 | P105-G107 PolarHBondContact O-N 2.66Å; P105-G107 VanDerWaalsContact O-N 3.11Å; P105-K140 WeakPolarHBondContact O-CE 3.41Å |
| 106 | D | 95.1 | Very high | 95.1 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 67% | 0.668 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -3 | 175.9 | -58.2 | -10.7 | 0 | 0 | 0 | 114.4 | Y104 K108 | Y104-D106 PolarHBondContact O-N 2.89Å; D106-K108 VanDerWaalsContact C-N 3.34Å |
| 107 | G | 94.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 22% | 0.216 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 89 | -2.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y104 P105 H151 A152 | Y104-G107 PolarHBondContact O-N 3.37Å; Y104-G107 VanDerWaalsContact O-N 3.13Å; P105-G107 PolarHBondContact O-N 2.66Å; P105-G107 VanDerWaalsContact O-N 3.11Å; G107-H151 WeakPolarHBondContact O-CA 3.43Å; G107-A152 PolarHBondContact O-N 2.81Å |
| 108 | K | 95.9 | Very high | 95.1 | Very high | 131 Ų | 131 | 51.1 Ų | 51.1 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | trans | -84.1 | 147.7 | 177.8 | -67.1 | 175.3 | -175.1 | 162.5 | 0 | 111.1 | Y104 D106 | Y104-K108 WeakPolarHBondContact CB-O 3.46Å; Y104-K108 PolarHBondContact N-O 2.89Å; D106-K108 VanDerWaalsContact C-N 3.34Å | ||
| 109 | V | 97.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.4 | 175.3 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | L101 Q102 L142 L150 H151 A152 A198 | L101-V109 HydrophobicContact CD1-CG1 3.69Å; L101-V109 HydrophobicContact CG-CG1 4.43Å; Q102-V109 WeakPolarHBondContact O-CA 3.37Å; V109-L142 HydrophobicContact CB-CD1 4.36Å; V109-L142 HydrophobicContact CG1-CD1 3.77Å; V109-L142 HydrophobicContact CG2-CD1 3.79Å; V109-L150 HydrophobicContact CB-CB 4.27Å; V109-L150 HydrophobicContact CG1-CB 4.37Å; V109-H151 VanDerWaalsContact CG2-C 3.49Å; V109-A152 HydrophobicContact CG2-CB 4.39Å; V109-A198 WeakPolarHBondContact O-CB 3.44Å |
| 110 | N | 96.2 | Very high | 95.1 | Very high | 52 Ų | 52 | 53.1 Ų | 53.1 | 28% | 0.278 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | -173.9 | 177.7 | -72.5 | -42 | 0 | 0 | 0 | 108.6 | Q102 Y104 G196 | Q102-N110 WeakPolarHBondContact CA-O 3.25Å; Q102-N110 PolarHBondContact N-O 3.43Å; Q102-N110 PolarHBondContact O-N 3.34Å; Y104-N110 HydrophobicContact CE2-CB 4.16Å; N110-G196 CarbonylContact C-O 3.52Å |
| 111 | G | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 12% | 0.124 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H100 G196 | H100-G111 CarbonylContact O-C 3.55Å; H100-G111 WeakPolarHBondContact O-CA 3.43Å; G111-G196 WeakPolarHBondContact CA-O 3.37Å; G111-G196 PolarHBondContact N-O 2.72Å |
| 112 | S | 95.8 | Very high | 95 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 147.3 | 177.6 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | F99 H100 E114 | F99-S112 CarbonylContact C-O 3.52Å; F99-S112 WeakPolarHBondContact CA-O 3.48Å; H100-S112 PolarHBondContact N-O 3.16Å; H100-S112 PolarHBondContact ND1-O 2.79Å; H100-S112 PolarHBondContact O-N 3.06Å; S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact OG-N 2.99Å; S112-E114 PolarHBondContact OG-O 2.72Å |
| 113 | H | 94.4 | Very high | 94.9 | Very high | 100 Ų | 100 | 53.2 Ų | 53.2 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -63.7 | -43.1 | 174 | 179.4 | -107.8 | 0 | 0 | 0 | 110.8 | I97 G98 H100 | I97-H113 HydrophobicContact CD1-CB 3.96Å; G98-H113 PolarHBondContact O-CD2 3.02Å; H100-H113 PolarHBondContact CE1-O 3.42Å; H100-H113 PolarHBondContact ND1-O 2.82Å |
| 114 | E | 91.8 | Very high | 94.8 | Very high | 143 Ų | 143 | 54.4 Ų | 54.4 | 67% | 0.668 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -80.8 | 142.7 | -179.9 | -66.1 | 176.3 | -171.4 | 0 | 0 | 112.5 | S112 N116 | S112-E114 VanDerWaalsContact C-N 3.33Å; S112-E114 PolarHBondContact OG-N 2.99Å; S112-E114 PolarHBondContact OG-O 2.72Å; E114-N116 PolarHBondContact O-N 2.78Å |
| 115 | A | 88.5 | Confident | 94.7 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 62% | 0.62 | 31% | 0.306 | S | S | * | . | trans | -71.9 | 117.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 116 | N | 91.3 | Very high | 94.7 | Very high | 78 Ų | 78 | 54 Ų | 54 | 42% | 0.417 | 30% | 0.303 | S | S | . | . | trans | -123.1 | 165.2 | 179.7 | -164.5 | -21.5 | 0 | 0 | 0 | 109.6 | E114 L118 S119 | E114-N116 PolarHBondContact O-N 2.78Å; N116-L118 PolarHBondContact O-N 2.82Å; N116-S119 PolarHBondContact N-OG 3.21Å; N116-S119 WeakPolarHBondContact O-CA 3.35Å; N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.44Å | ||
| 117 | M | 93 | Very high | 94.6 | Very high | 111 Ų | 111 | 51.3 Ų | 51.3 | 55% | 0.547 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -53.3 | -36.3 | 172.9 | -62.7 | -171.8 | -74.1 | 0 | 0 | 112.4 | S119 I120 F137 | M117-S119 PolarHBondContact O-N 2.79Å; M117-I120 WeakPolarHBondContact O-CB 3.31Å; M117-I120 PolarHBondContact O-N 3.46Å; M117-I120 VanDerWaalsContact O-N 3.16Å; M117-F137 HydrophobicContact CB-CD2 4.15Å; M117-F137 HydrophobicContact CB-CG 4.45Å; M117-F137 HydrophobicContact CE-CE2 4.36Å; M117-F137 HydrophobicContact SD-CE2 4.48Å |
| 118 | L | 94.9 | Very high | 94.6 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 12% | 0.12 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -64.9 | -18.6 | 175.3 | -60.1 | 179.5 | 0 | 0 | 0 | 114.2 | Q102 I103 Y104 N116 F137 | Q102-L118 WeakPolarHBondContact CA-O 3.4Å; Q102-L118 HydrophobicContact CB-CB 4.21Å; Q102-L118 HydrophobicContact CG-CB 4.18Å; I103-L118 PolarHBondContact N-O 3.33Å; Y104-L118 HydrophobicContact CD1-CD1 3.67Å; Y104-L118 HydrophobicContact CE1-CD1 3.48Å; Y104-L118 VanDerWaalsContact CE1-CD1 3.48Å; Y104-L118 HydrophobicContact CE2-CD1 4.47Å; Y104-L118 HydrophobicContact CG-CD1 4.27Å; N116-L118 PolarHBondContact O-N 2.82Å; L118-F137 HydrophobicContact CD2-CD1 3.35Å; L118-F137 HydrophobicContact CD2-CE1 3.81Å; L118-F137 HydrophobicContact CD2-CG 4.16Å |
| 119 | S | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -92.7 | -0.8 | 178.5 | 71.4 | 0 | 0 | 0 | 0 | 113.8 | S90 L101 N116 M117 L121 | S90-S119 WeakPolarHBondContact CA-O 3.1Å; S90-S119 WeakPolarHBondContact CB-O 3.45Å; L101-S119 WeakPolarHBondContact O-CA 3.4Å; N116-S119 PolarHBondContact N-OG 3.21Å; N116-S119 WeakPolarHBondContact O-CA 3.35Å; N116-S119 WeakPolarHBondContact O-CB 3.48Å; N116-S119 PolarHBondContact O-N 3.37Å; N116-S119 PolarHBondContact O-OG 3.44Å; M117-S119 PolarHBondContact O-N 2.79Å; S119-L121 PolarHBondContact O-N 2.73Å |
| 120 | I | 95.4 | Very high | 94.4 | Very high | 53 Ų | 53 | 56.4 Ų | 56.4 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | trans | -82 | 112.1 | 173.7 | -54.7 | 177.5 | 0 | 0 | 0 | 107.9 | T88 G89 M117 V136 | T88-I120 HydrophobicContact CG2-CG2 3.84Å; G89-I120 CarbonylContact O-C 3.5Å; G89-I120 WeakPolarHBondContact O-CA 3.23Å; M117-I120 WeakPolarHBondContact O-CB 3.31Å; M117-I120 PolarHBondContact O-N 3.46Å; M117-I120 VanDerWaalsContact O-N 3.16Å; I120-V136 HydrophobicContact CB-CB 4.47Å; I120-V136 HydrophobicContact CG2-CB 4.04Å; I120-V136 HydrophobicContact CG2-CG2 3.88Å; I120-V136 PolarHBondContact O-N 3.41Å | ||
| 121 | L | 96.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.3 | -175.6 | -51.5 | -179.6 | 0 | 0 | 0 | 109.7 | T88 G89 L91 L101 I103 S119 I133 R134 | T88-L121 CarbonylContact C-O 3.35Å; T88-L121 WeakPolarHBondContact CA-O 3.32Å; G89-L121 PolarHBondContact N-O 2.76Å; G89-L121 PolarHBondContact O-N 2.86Å; G89-L121 VanDerWaalsContact O-O 3.11Å; L91-L121 HydrophobicContact CB-CD1 4.02Å; L91-L121 HydrophobicContact CD1-CD1 3.83Å; L91-L121 HydrophobicContact CG-CD1 3.93Å; L101-L121 HydrophobicContact CB-CD1 4.1Å; L101-L121 HydrophobicContact CD2-CD1 4.04Å; L101-L121 HydrophobicContact CG-CD1 4.31Å; I103-L121 HydrophobicContact CB-CD2 4.47Å; I103-L121 HydrophobicContact CD1-CD2 3.68Å; I103-L121 HydrophobicContact CG1-CD2 3.83Å; S119-L121 PolarHBondContact O-N 2.73Å; L121-I133 HydrophobicContact CB-CG2 4.16Å; L121-I133 HydrophobicContact CD1-CG2 4.03Å; L121-R134 CarbonylContact C-O 3.47Å; L121-R134 VanDerWaalsContact CA-O 3.27Å; L121-R134 WeakPolarHBondContact CA-O 3.46Å |
| 122 | E | 95.7 | Very high | 94.5 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.6 | 169.7 | -178.8 | -170 | 175.2 | 0 | 0 | 108.4 | R86 R134 V136 | R86-E122 HydrophobicContact CB-CG 4.29Å; R86-E122 WeakPolarHBondContact CD-OE1 3.21Å; R86-E122 IonicContact CZ-OE1 3.71Å; R86-E122 IonicContact NE-OE1 3.86Å; R86-E122 IonicContact NH1-OE1 2.76Å; R86-E122 PolarHBondContact NH1-OE1 2.85Å; E122-R134 HydrophobicContact CB-CB 4.42Å; E122-R134 PolarHBondContact N-O 2.62Å; E122-R134 PolarHBondContact O-N 3.41Å; E122-R134 IonicContact OE1-NH2 3.95Å; E122-R134 IonicContact OE2-CZ 3.12Å; E122-R134 IonicContact OE2-NE 2.84Å; E122-R134 PolarHBondContact OE2-NE 2.76Å; E122-R134 IonicContact OE2-NH2 2.65Å; E122-R134 PolarHBondContact OE2-NH2 2.81Å; E122-V136 HydrophobicContact CB-CG2 3.95Å |
| 123 | I | 95.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.015 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 119.8 | 176.8 | -51.3 | -176.7 | 0 | 0 | 0 | 107.7 | R86 R87 L91 V131 G132 I133 F219 | R86-I123 CarbonylContact C-O 3.51Å; R86-I123 WeakPolarHBondContact CA-O 3.33Å; R87-I123 PolarHBondContact N-O 2.8Å; R87-I123 PolarHBondContact O-N 3.1Å; L91-I123 HydrophobicContact CD1-CD1 4.19Å; L91-I123 HydrophobicContact CD2-CD1 3.6Å; L91-I123 HydrophobicContact CG-CD1 4.01Å; I123-V131 HydrophobicContact CG2-CB 3.92Å; I123-V131 HydrophobicContact CG2-CG1 4.16Å; I123-V131 HydrophobicContact CG2-CG2 4.22Å; I123-G132 WeakPolarHBondContact CA-O 3.23Å; I123-I133 HydrophobicContact CG1-CG1 4.36Å; I123-I133 HydrophobicContact CG2-CG1 4.46Å; I123-F219 HydrophobicContact CD1-CE1 3.85Å; I123-F219 HydrophobicContact CD1-CZ 4.19Å; I123-F219 HydrophobicContact CG1-CE1 4.35Å |
| 124 | F | 95.2 | Very high | 94.7 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 139 | -179.9 | 62.4 | -88.5 | 0 | 0 | 0 | 110.9 | G85 R86 V126 V131 G132 R134 F141 F156 | G85-F124 WeakPolarHBondContact O-CA 3.24Å; R86-F124 HydrophobicContact CG-CB 3.77Å; F124-V126 HydrophobicContact CD2-CG2 4.12Å; F124-V126 HydrophobicContact CE2-CG2 3.82Å; F124-V131 CarbonylContact O-C 3.58Å; F124-V131 VanDerWaalsContact O-CA 3.3Å; F124-V131 WeakPolarHBondContact O-CA 3.39Å; F124-G132 WeakPolarHBondContact CD1-O 3.47Å; F124-G132 PolarHBondContact N-O 3.39Å; F124-G132 PolarHBondContact O-N 3.25Å; F124-R134 HydrophobicContact CE1-CB 4.21Å; F124-F141 AromaticContact CE1-CD1 3.99Å; F124-F141 HydrophobicContact CE1-CD1 3.99Å; F124-F141 AromaticContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CZ-CD1 4.04Å; F124-F141 AromaticContact CZ-CE1 3.79Å; F124-F141 HydrophobicContact CZ-CE1 3.79Å; F124-F156 HydrophobicContact CE2-CE2 4.01Å; F124-F156 HydrophobicContact CE2-CZ 4.03Å; F124-F156 AromaticContact CZ-CD2 3.91Å; F124-F156 HydrophobicContact CZ-CD2 3.91Å; F124-F156 AromaticContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CZ 4.08Å |
| 125 | A | 95.2 | Very high | 95 | Very high | 69 Ų | 69 | 43.7 Ų | 43.7 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | G85 | G85-A125 PolarHBondContact O-N 2.88Å |
| 126 | V | 95 | Very high | 95.3 | Very high | 55 Ų | 55 | 43.2 Ų | 43.2 | 33% | 0.333 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -43.9 | 174.1 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | F124 I130 F156 | F124-V126 HydrophobicContact CD2-CG2 4.12Å; F124-V126 HydrophobicContact CE2-CG2 3.82Å; V126-I130 HydrophobicContact CB-CB 4.48Å; V126-I130 HydrophobicContact CB-CG2 4.12Å; V126-I130 PolarHBondContact N-O 2.82Å; V126-F156 HydrophobicContact CG2-CE1 4.34Å; V126-F156 HydrophobicContact CG2-CZ 3.67Å |
| 127 | S | 93.6 | Very high | 95.5 | Very high | 70 Ų | 70 | 45.2 Ų | 45.2 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | -178 | 173.6 | 63.8 | 0 | 0 | 0 | 0 | 109 | G129 I130 | S127-G129 PolarHBondContact O-N 2.97Å; S127-I130 PolarHBondContact N-O 3.12Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 WeakPolarHBondContact OG-CB 3.5Å; S127-I130 WeakPolarHBondContact OG-CG1 3.38Å |
| 128 | Q | 93.3 | Very high | 95.6 | Very high | 200 Ų | 200 | 40.8 Ų | 40.8 | 94% | 0.935 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 115.8 | -179 | -170.3 | 179.7 | 23.7 | 0 | 0 | 111.5 | I130 | Q128-I130 PolarHBondContact O-N 2.79Š|
| 129 | G | 93.4 | Very high | 95.6 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 2.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S127 R163 E164 | S127-G129 PolarHBondContact O-N 2.97Å; G129-R163 CarbonylContact O-C 3.53Å; G129-R163 VanDerWaalsContact O-CA 3.25Å; G129-R163 WeakPolarHBondContact O-CA 3.29Å; G129-R163 WeakPolarHBondContact O-CG 3.48Å; G129-E164 PolarHBondContact O-N 2.79Å |
| 130 | I | 96.8 | Very high | 95.7 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.128 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.5 | 175.7 | -52.6 | -64.2 | 0 | 0 | 0 | 109.5 | V126 S127 Q128 K161 F162 R163 A177 | V126-I130 HydrophobicContact CB-CB 4.48Å; V126-I130 HydrophobicContact CB-CG2 4.12Å; V126-I130 PolarHBondContact N-O 2.82Å; S127-I130 PolarHBondContact N-O 3.12Å; S127-I130 PolarHBondContact O-N 3.48Å; S127-I130 WeakPolarHBondContact OG-CB 3.5Å; S127-I130 WeakPolarHBondContact OG-CG1 3.38Å; Q128-I130 PolarHBondContact O-N 2.79Å; I130-K161 HydrophobicContact CG2-CB 3.85Å; I130-K161 HydrophobicContact CG2-CG 4.33Å; I130-F162 CarbonylContact C-O 3.54Å; I130-F162 WeakPolarHBondContact CA-O 3.41Å; I130-R163 HydrophobicContact CD1-CB 3.72Å; I130-R163 HydrophobicContact CD1-CG 3.75Å; I130-A177 HydrophobicContact CD1-CB 4.07Å |
| 131 | V | 97.1 | Very high | 95.9 | Very high | 6 Ų | 6 | 45.2 Ų | 45.2 | 4% | 0.036 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 149.8 | -179.5 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | I123 F124 I133 F162 E164 Y174 | I123-V131 HydrophobicContact CG2-CB 3.92Å; I123-V131 HydrophobicContact CG2-CG1 4.16Å; I123-V131 HydrophobicContact CG2-CG2 4.22Å; F124-V131 CarbonylContact O-C 3.58Å; F124-V131 VanDerWaalsContact O-CA 3.3Å; F124-V131 WeakPolarHBondContact O-CA 3.39Å; V131-I133 HydrophobicContact CG2-CG1 4.48Å; V131-F162 HydrophobicContact CG2-CB 4.34Å; V131-F162 PolarHBondContact N-O 3.4Å; V131-F162 PolarHBondContact O-N 2.93Å; V131-E164 HydrophobicContact CG1-CB 4Å; V131-E164 HydrophobicContact CG2-CB 4.04Å; V131-Y174 HydrophobicContact CG2-CD1 3.91Å; V131-Y174 HydrophobicContact CG2-CE1 3.85Å |
| 132 | G | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 144.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | I123 F124 | I123-G132 WeakPolarHBondContact CA-O 3.23Å; F124-G132 WeakPolarHBondContact CD1-O 3.47Å; F124-G132 PolarHBondContact N-O 3.39Å; F124-G132 PolarHBondContact O-N 3.25Å |
| 133 | I | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 117.2 | 178.5 | -59.6 | 164.9 | 0 | 0 | 0 | 107.6 | L91 I103 L121 I123 V131 F141 L142 F162 Y174 | L91-I133 HydrophobicContact CD1-CD1 3.84Å; L91-I133 HydrophobicContact CD1-CG2 4.29Å; I103-I133 HydrophobicContact CD1-CG2 4.44Å; L121-I133 HydrophobicContact CB-CG2 4.16Å; L121-I133 HydrophobicContact CD1-CG2 4.03Å; I123-I133 HydrophobicContact CG1-CG1 4.36Å; I123-I133 HydrophobicContact CG2-CG1 4.46Å; V131-I133 HydrophobicContact CG2-CG1 4.48Å; I133-F141 CarbonylContact O-C 3.56Å; I133-F141 WeakPolarHBondContact O-CA 3.27Å; I133-L142 HydrophobicContact CB-CB 4.05Å; I133-L142 HydrophobicContact CB-CD2 4.38Å; I133-L142 HydrophobicContact CD1-CD2 3.88Å; I133-L142 HydrophobicContact CG2-CB 4.32Å; I133-L142 PolarHBondContact O-N 3.13Å; I133-F162 HydrophobicContact CD1-CD2 4.34Å; I133-Y174 HydrophobicContact CD1-CD1 4.19Å; I133-Y174 HydrophobicContact CD1-CE1 4.39Å; I133-Y174 HydrophobicContact CD1-CG 4.34Å |
| 134 | R | 97.3 | Very high | 96.2 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 25% | 0.253 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 133.5 | 178.8 | -175.1 | 172.2 | 78.1 | 153.5 | -3.8 | 110.2 | L121 E122 F124 V136 N139 K140 F141 | L121-R134 CarbonylContact C-O 3.47Å; L121-R134 VanDerWaalsContact CA-O 3.27Å; L121-R134 WeakPolarHBondContact CA-O 3.46Å; E122-R134 HydrophobicContact CB-CB 4.42Å; E122-R134 PolarHBondContact N-O 2.62Å; E122-R134 PolarHBondContact O-N 3.41Å; E122-R134 IonicContact OE1-NH2 3.95Å; E122-R134 IonicContact OE2-CZ 3.12Å; E122-R134 IonicContact OE2-NE 2.84Å; E122-R134 PolarHBondContact OE2-NE 2.76Å; E122-R134 IonicContact OE2-NH2 2.65Å; E122-R134 PolarHBondContact OE2-NH2 2.81Å; F124-R134 HydrophobicContact CE1-CB 4.21Å; R134-V136 PolarHBondContact O-N 2.74Å; R134-N139 PolarHBondContact NH1-OD1 2.83Å; R134-K140 CarbonylContact C-O 3.55Å; R134-K140 WeakPolarHBondContact CA-O 3.37Å; R134-F141 HydrophobicContact CB-CD1 3.87Å; R134-F141 HydrophobicContact CB-CE1 3.92Å; R134-F141 HydrophobicContact CG-CD1 4.13Å; R134-F141 HydrophobicContact CG-CE1 3.95Å; R134-F141 HydrophobicContact CG-CZ 4.44Å |
| 135 | G | 96.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 120.8 | 167 | 0 | 0 | 0 | 0 | 0 | 109.1 | N139 K140 | G135-N139 VanDerWaalsContact O-CA 3.23Å; G135-N139 WeakPolarHBondContact O-CA 3.42Å; G135-N139 PolarHBondContact O-N 3.31Å; G135-K140 PolarHBondContact N-O 2.92Å |
| 136 | V | 95.3 | Very high | 96.2 | Very high | 66 Ų | 66 | 49.6 Ų | 49.6 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -45 | -176.6 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | T88 I120 E122 R134 | T88-V136 HydrophobicContact CG2-CG2 4.06Å; I120-V136 HydrophobicContact CB-CB 4.47Å; I120-V136 HydrophobicContact CG2-CB 4.04Å; I120-V136 HydrophobicContact CG2-CG2 3.88Å; I120-V136 PolarHBondContact O-N 3.41Å; E122-V136 HydrophobicContact CB-CG2 3.95Å; R134-V136 PolarHBondContact O-N 2.74Å |
| 137 | F | 94.6 | Very high | 96.1 | Very high | 120 Ų | 120 | 55 Ų | 55 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -46.2 | -179.7 | -178.2 | -92.5 | 0 | 0 | 0 | 113.1 | M117 L118 N139 | M117-F137 HydrophobicContact CB-CD2 4.15Å; M117-F137 HydrophobicContact CB-CG 4.45Å; M117-F137 HydrophobicContact CE-CE2 4.36Å; M117-F137 HydrophobicContact SD-CE2 4.48Å; L118-F137 HydrophobicContact CD2-CD1 3.35Å; L118-F137 HydrophobicContact CD2-CE1 3.81Å; L118-F137 HydrophobicContact CD2-CG 4.16Å; F137-N139 VanDerWaalsContact C-N 3.33Å |
| 138 | S | 95.4 | Very high | 96.2 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13.1 | -177.2 | 50.4 | 0 | 0 | 0 | 0 | 113.4 | I103 K140 | I103-S138 WeakPolarHBondContact CG2-OG 3.37Å; I103-S138 WeakPolarHBondContact O-CB 2.84Å; I103-S138 PolarHBondContact O-OG 3.23Å; S138-K140 WeakPolarHBondContact O-CG 3.45Å; S138-K140 PolarHBondContact O-N 2.83Å; S138-K140 VanDerWaalsContact O-N 3.12Å |
| 139 | N | 96.3 | Very high | 96.3 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 50% | 0.497 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 35.9 | -171 | -161.7 | 21.9 | 0 | 0 | 0 | 112.9 | R134 G135 F137 | R134-N139 PolarHBondContact NH1-OD1 2.83Å; G135-N139 VanDerWaalsContact O-CA 3.23Å; G135-N139 WeakPolarHBondContact O-CA 3.42Å; G135-N139 PolarHBondContact O-N 3.31Å; F137-N139 VanDerWaalsContact C-N 3.33Å |
| 140 | K | 97.6 | Very high | 96.5 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 151.5 | 177 | -69 | -171.6 | -167.9 | -57.4 | 0 | 110.4 | I103 P105 R134 G135 S138 A152 S153 | I103-K140 HydrophobicContact CG2-CB 4.22Å; P105-K140 WeakPolarHBondContact O-CE 3.41Å; R134-K140 CarbonylContact C-O 3.55Å; R134-K140 WeakPolarHBondContact CA-O 3.37Å; G135-K140 PolarHBondContact N-O 2.92Å; S138-K140 WeakPolarHBondContact O-CG 3.45Å; S138-K140 PolarHBondContact O-N 2.83Å; S138-K140 VanDerWaalsContact O-N 3.12Å; K140-A152 HydrophobicContact CB-CB 3.79Å; K140-A152 HydrophobicContact CD-CB 3.87Å; K140-A152 HydrophobicContact CG-CB 4.48Å; K140-S153 CarbonylContact C-O 3.49Å; K140-S153 WeakPolarHBondContact CA-O 3.28Å; K140-S153 WeakPolarHBondContact CB-O 3.24Å |
| 141 | F | 98 | Very high | 96.5 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.3 | 178.3 | -56.7 | -84.2 | 0 | 0 | 0 | 110.2 | F124 I133 R134 A143 A152 S153 F156 C160 | F124-F141 AromaticContact CE1-CD1 3.99Å; F124-F141 HydrophobicContact CE1-CD1 3.99Å; F124-F141 AromaticContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CE1-CE1 3.78Å; F124-F141 HydrophobicContact CZ-CD1 4.04Å; F124-F141 AromaticContact CZ-CE1 3.79Å; F124-F141 HydrophobicContact CZ-CE1 3.79Å; I133-F141 CarbonylContact O-C 3.56Å; I133-F141 WeakPolarHBondContact O-CA 3.27Å; R134-F141 HydrophobicContact CB-CD1 3.87Å; R134-F141 HydrophobicContact CB-CE1 3.92Å; R134-F141 HydrophobicContact CG-CD1 4.13Å; R134-F141 HydrophobicContact CG-CE1 3.95Å; R134-F141 HydrophobicContact CG-CZ 4.44Å; F141-A143 PolarHBondContact O-N 2.91Å; F141-A152 CarbonylContact O-C 3.57Å; F141-A152 VanDerWaalsContact O-CA 3.28Å; F141-A152 WeakPolarHBondContact O-CA 3.17Å; F141-S153 PolarHBondContact N-O 3.04Å; F141-S153 PolarHBondContact O-N 3.25Å; F141-F156 HydrophobicContact CB-CD2 4.41Å; F141-F156 AromaticContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CE2 4.39Å; F141-F156 HydrophobicContact CD2-CB 4.15Å; F141-F156 HydrophobicContact CD2-CD2 4.48Å; F141-F156 HydrophobicContact CE1-CB 4.39Å; F141-F156 AromaticContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE2-CB 4.01Å; F141-F156 HydrophobicContact CG-CB 4.42Å; F141-F156 AromaticContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CZ-CB 4.13Å; F141-C160 HydrophobicContact CB-CB 4.14Å |
| 142 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131.2 | 165.7 | -177.2 | 63.6 | 0 | 0 | 0 | 108.1 | L101 I103 V109 I133 L150 C160 F162 V190 | L101-L142 HydrophobicContact CD2-CD2 3.96Å; I103-L142 HydrophobicContact CD1-CB 3.96Å; V109-L142 HydrophobicContact CB-CD1 4.36Å; V109-L142 HydrophobicContact CG1-CD1 3.77Å; V109-L142 HydrophobicContact CG2-CD1 3.79Å; I133-L142 HydrophobicContact CB-CB 4.05Å; I133-L142 HydrophobicContact CB-CD2 4.38Å; I133-L142 HydrophobicContact CD1-CD2 3.88Å; I133-L142 HydrophobicContact CG2-CB 4.32Å; I133-L142 PolarHBondContact O-N 3.13Å; L142-L150 HydrophobicContact CD1-CD2 4.45Å; L142-C160 VanDerWaalsContact O-CA 3.31Å; L142-C160 WeakPolarHBondContact O-CA 3.48Å; L142-C160 WeakPolarHBondContact O-CB 3.28Å; L142-F162 HydrophobicContact CB-CE2 4.01Å; L142-F162 HydrophobicContact CB-CZ 4.42Å; L142-F162 HydrophobicContact CD2-CE2 3.95Å; L142-F162 HydrophobicContact CD2-CZ 4.05Å; L142-F162 HydrophobicContact CG-CE2 3.82Å; L142-F162 HydrophobicContact CG-CZ 3.8Å; L142-F162 VanDerWaalsContact O-CE2 3.26Å; L142-F162 WeakPolarHBondContact O-CE2 3.26Å; L142-V190 HydrophobicContact CD2-CG1 4.23Å; L142-V190 HydrophobicContact CD2-CG2 4.07Å |
| 143 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 147.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F141 L150 H151 D159 | F141-A143 PolarHBondContact O-N 2.91Å; A143-L150 WeakPolarHBondContact O-CA 3.42Å; A143-H151 PolarHBondContact N-O 3.24Å; A143-H151 PolarHBondContact O-N 3.39Å; A143-H151 PolarHBondContact O-ND1 2.94Å; A143-H151 VanDerWaalsContact O-O 3.07Å; A143-D159 WeakPolarHBondContact CA-O 3.32Å; A143-D159 HydrophobicContact CB-CB 4.26Å |
| 144 | M | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119.8 | 171.9 | -169.9 | 177.2 | -66.1 | 0 | 0 | 109.6 | L150 D159 F162 H179 W188 V190 | M144-L150 HydrophobicContact CB-CD2 4.15Å; M144-L150 HydrophobicContact CE-CD2 3.59Å; M144-L150 HydrophobicContact CG-CD2 4.25Å; M144-D159 PolarHBondContact N-O 3.21Å; M144-D159 WeakPolarHBondContact O-CB 3.35Å; M144-F162 HydrophobicContact CB-CE1 4.11Å; M144-F162 HydrophobicContact CB-CZ 4.44Å; M144-F162 HydrophobicContact CE-CE1 4.41Å; M144-H179 PolarHBondContact O-CD2 2.74Å; M144-H179 PolarHBondContact O-NE2 3.47Å; M144-H179 VanDerWaalsContact O-NE2 3.11Å; M144-W188 HydrophobicContact CE-CB 4.44Å; M144-W188 HydrophobicContact SD-CB 3.65Å; M144-W188 HydrophobicContact SD-CE3 3.98Å; M144-V190 HydrophobicContact CE-CG2 4.41Å |
| 145 | S | 96.3 | Very high | 96.5 | Very high | 37 Ų | 37 | 57.7 Ų | 57.7 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | trans | -69.3 | 158 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | K147 G148 K149 H151 | S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 2.94Å; S145-G148 WeakPolarHBondContact O-CA 3.35Å; S145-G148 PolarHBondContact O-N 3Å; S145-K149 PolarHBondContact N-O 3.46Å; S145-H151 PolarHBondContact N-CE1 2.86Å | ||
| 146 | K | 94.8 | Very high | 96.5 | Very high | 165 Ų | 165 | 61.4 Ų | 61.4 | 72% | 0.717 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.2 | -22.2 | 168.1 | -63.1 | -179.5 | -179.4 | -176.2 | 0 | 114.9 | G148 W188 | K146-G148 VanDerWaalsContact C-N 3.3Å; K146-W188 WeakPolarHBondContact O-CH2 3.18Å; K146-W188 VanDerWaalsContact O-CZ3 3.24Å; K146-W188 WeakPolarHBondContact O-CZ3 3.12Å |
| 147 | K | 93.9 | Very high | 96.5 | Very high | 168 Ų | 168 | 61.1 Ų | 61.1 | 73% | 0.73 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 3.3 | 173.8 | -63.7 | -175.6 | 180 | 178.8 | 0 | 113.6 | S145 K149 C202 | S145-K147 PolarHBondContact O-N 2.97Å; S145-K147 PolarHBondContact OG-N 2.94Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 2.85Å; K147-C202 PolarHBondContact O-SG 3.38Å |
| 148 | G | 94.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 75.5 | 10.9 | -174 | 0 | 0 | 0 | 0 | 0 | 114.3 | S145 K146 W188 R200 G201 | S145-G148 WeakPolarHBondContact O-CA 3.35Å; S145-G148 PolarHBondContact O-N 3Å; K146-G148 VanDerWaalsContact C-N 3.3Å; G148-W188 VanDerWaalsContact N-CZ3 3.34Å; G148-R200 CarbonylContact O-C 3.56Å; G148-R200 WeakPolarHBondContact O-CA 3.42Å; G148-G201 PolarHBondContact O-N 2.75Å |
| 149 | K | 96.5 | Very high | 96.7 | Very high | 138 Ų | 138 | 60.6 Ų | 60.6 | 60% | 0.6 | 30% | 0.302 | S | S | * | . | trans | -83.7 | 128.4 | 179.6 | -174.7 | -178.7 | 176.1 | -174.1 | 0 | 110.5 | S145 K147 H151 | S145-K149 PolarHBondContact N-O 3.46Å; K147-K149 VanDerWaalsContact C-N 3.3Å; K147-K149 PolarHBondContact O-N 2.85Å; K149-H151 PolarHBondContact O-ND1 2.78Å | ||
| 150 | L | 97.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.6 | 170.6 | -62.4 | 177.1 | 0 | 0 | 0 | 110.4 | V109 L142 A143 M144 V190 A198 | V109-L150 HydrophobicContact CB-CB 4.27Å; V109-L150 HydrophobicContact CG1-CB 4.37Å; L142-L150 HydrophobicContact CD1-CD2 4.45Å; A143-L150 WeakPolarHBondContact O-CA 3.42Å; M144-L150 HydrophobicContact CB-CD2 4.15Å; M144-L150 HydrophobicContact CE-CD2 3.59Å; M144-L150 HydrophobicContact CG-CD2 4.25Å; L150-V190 HydrophobicContact CD1-CB 4.43Å; L150-V190 HydrophobicContact CD1-CG1 3.77Å; L150-V190 HydrophobicContact CD2-CG1 4.5Å; L150-V190 HydrophobicContact CD2-CG2 4.14Å; L150-A198 HydrophobicContact CB-CB 4.18Å; L150-A198 HydrophobicContact CD1-CB 4.06Å |
| 151 | H | 97.3 | Very high | 96.8 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 26% | 0.255 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 168 | 178 | 63.6 | -71.3 | 0 | 0 | 0 | 109.6 | G107 V109 A143 S145 K149 | G107-H151 WeakPolarHBondContact O-CA 3.43Å; V109-H151 VanDerWaalsContact CG2-C 3.49Å; A143-H151 PolarHBondContact N-O 3.24Å; A143-H151 PolarHBondContact O-N 3.39Å; A143-H151 PolarHBondContact O-ND1 2.94Å; A143-H151 VanDerWaalsContact O-O 3.07Å; S145-H151 PolarHBondContact N-CE1 2.86Å; K149-H151 PolarHBondContact O-ND1 2.78Å |
| 152 | A | 97.2 | Very high | 96.8 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 126.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | I103 G107 V109 K140 F141 | I103-A152 HydrophobicContact CG2-CB 3.42Å; I103-A152 VanDerWaalsContact CG2-CB 3.42Å; G107-A152 PolarHBondContact O-N 2.81Å; V109-A152 HydrophobicContact CG2-CB 4.39Å; K140-A152 HydrophobicContact CB-CB 3.79Å; K140-A152 HydrophobicContact CD-CB 3.87Å; K140-A152 HydrophobicContact CG-CB 4.48Å; F141-A152 CarbonylContact O-C 3.57Å; F141-A152 VanDerWaalsContact O-CA 3.28Å; F141-A152 WeakPolarHBondContact O-CA 3.17Å |
| 153 | S | 97.4 | Very high | 96.7 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 16% | 0.161 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.6 | 177.2 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | K140 F141 K155 | K140-S153 CarbonylContact C-O 3.49Å; K140-S153 WeakPolarHBondContact CA-O 3.28Å; K140-S153 WeakPolarHBondContact CB-O 3.24Å; F141-S153 PolarHBondContact N-O 3.04Å; F141-S153 PolarHBondContact O-N 3.25Å; S153-K155 WeakPolarHBondContact CB-O 3.15Å; S153-K155 PolarHBondContact OG-N 3.18Å; S153-K155 PolarHBondContact OG-O 2.95Å |
| 154 | A | 96.4 | Very high | 96.7 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -75.1 | -29.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 155 | K | 96.6 | Very high | 96.5 | Very high | 166 Ų | 166 | 65.3 Ų | 65.3 | 72% | 0.722 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -104.2 | 141 | 179.2 | -63.9 | -175.8 | -179.9 | -178.7 | 0 | 109.8 | S153 T157 | S153-K155 WeakPolarHBondContact CB-O 3.15Å; S153-K155 PolarHBondContact OG-N 3.18Å; S153-K155 PolarHBondContact OG-O 2.95Å; K155-T157 HydrophobicContact CB-CG2 4.47Å; K155-T157 PolarHBondContact O-N 2.87Å |
| 156 | F | 96.8 | Very high | 96.4 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 34% | 0.342 | 33% | 0.332 | S | S | . | . | trans | -76.6 | 113.4 | 173.4 | -170.9 | -107.7 | 0 | 0 | 0 | 109.5 | F124 V126 F141 C160 K161 | F124-F156 HydrophobicContact CE2-CE2 4.01Å; F124-F156 HydrophobicContact CE2-CZ 4.03Å; F124-F156 AromaticContact CZ-CD2 3.91Å; F124-F156 HydrophobicContact CZ-CD2 3.91Å; F124-F156 AromaticContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CE2 3.58Å; F124-F156 HydrophobicContact CZ-CZ 4.08Å; V126-F156 HydrophobicContact CG2-CE1 4.34Å; V126-F156 HydrophobicContact CG2-CZ 3.67Å; F141-F156 HydrophobicContact CB-CD2 4.41Å; F141-F156 AromaticContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CD2 3.65Å; F141-F156 HydrophobicContact CD1-CE2 4.39Å; F141-F156 HydrophobicContact CD2-CB 4.15Å; F141-F156 HydrophobicContact CD2-CD2 4.48Å; F141-F156 HydrophobicContact CE1-CB 4.39Å; F141-F156 AromaticContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE1-CD2 3.98Å; F141-F156 HydrophobicContact CE2-CB 4.01Å; F141-F156 HydrophobicContact CG-CB 4.42Å; F141-F156 AromaticContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CG-CD2 3.92Å; F141-F156 HydrophobicContact CZ-CB 4.13Å; F156-C160 HydrophobicContact CD2-CB 3.64Å; F156-C160 HydrophobicContact CE2-CB 3.59Å; F156-C160 HydrophobicContact CZ-CB 4.49Å; F156-K161 HydrophobicContact CE1-CG 4.48Å; F156-K161 HydrophobicContact CZ-CG 4.01Å | ||
| 157 | T | 96.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 64.5 Ų | 64.5 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | trans | -124.4 | 174.8 | -178.5 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | K155 D159 C160 | K155-T157 HydrophobicContact CB-CG2 4.47Å; K155-T157 PolarHBondContact O-N 2.87Å; T157-D159 PolarHBondContact O-N 3.43Å; T157-C160 VanDerWaalsContact O-CB 3.24Å; T157-C160 WeakPolarHBondContact O-CB 3.42Å; T157-C160 PolarHBondContact O-N 3.11Å; T157-C160 PolarHBondContact OG1-SG 3.16Å | ||
| 158 | D | 96.6 | Very high | 95.7 | Very high | 87 Ų | 87 | 65 Ų | 65 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -62.7 | -26 | 176.9 | -62.9 | -44.7 | 0 | 0 | 0 | 113.4 | C160 K161 I178 | D158-C160 PolarHBondContact O-N 3.13Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.25Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.67Å; D158-K161 PolarHBondContact OD1-NZ 2.93Å; D158-I178 HydrophobicContact CB-CD1 3.88Å; D158-I178 HydrophobicContact CB-CG2 4.16Å |
| 159 | D | 97.1 | Very high | 95.2 | Very high | 39 Ų | 39 | 69.1 Ų | 69.1 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -62.2 | -19.1 | 171.7 | -74.1 | -2.8 | 0 | 0 | 0 | 112.8 | A143 M144 T157 I178 H179 | A143-D159 WeakPolarHBondContact CA-O 3.32Å; A143-D159 HydrophobicContact CB-CB 4.26Å; M144-D159 PolarHBondContact N-O 3.21Å; M144-D159 WeakPolarHBondContact O-CB 3.35Å; T157-D159 PolarHBondContact O-N 3.43Å; D159-I178 WeakPolarHBondContact OD1-CD1 3.43Å; D159-H179 IonicContact OD1-CD2 3.37Å; D159-H179 IonicContact OD1-CE1 3.38Å; D159-H179 PolarHBondContact OD1-CE1 3.21Å; D159-H179 IonicContact OD1-NE2 2.73Å; D159-H179 PolarHBondContact OD1-NE2 3.3Å |
| 160 | C | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -91.8 | -1.6 | -178.8 | -53 | 0 | 0 | 0 | 0 | 113.4 | F141 L142 F156 T157 D158 F162 | F141-C160 HydrophobicContact CB-CB 4.14Å; L142-C160 VanDerWaalsContact O-CA 3.31Å; L142-C160 WeakPolarHBondContact O-CA 3.48Å; L142-C160 WeakPolarHBondContact O-CB 3.28Å; F156-C160 HydrophobicContact CD2-CB 3.64Å; F156-C160 HydrophobicContact CE2-CB 3.59Å; F156-C160 HydrophobicContact CZ-CB 4.49Å; T157-C160 VanDerWaalsContact O-CB 3.24Å; T157-C160 WeakPolarHBondContact O-CB 3.42Å; T157-C160 PolarHBondContact O-N 3.11Å; T157-C160 PolarHBondContact OG1-SG 3.16Å; D158-C160 PolarHBondContact O-N 3.13Å; C160-F162 WeakPolarHBondContact O-CD2 3.29Å; C160-F162 WeakPolarHBondContact O-CE2 3.08Å |
| 161 | K | 97.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 67.6 Ų | 67.6 | 25% | 0.252 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 121.4 | -179.1 | -66.2 | 176.1 | -178.3 | 169.1 | 0 | 109.7 | I130 F156 D158 A177 | I130-K161 HydrophobicContact CG2-CB 3.85Å; I130-K161 HydrophobicContact CG2-CG 4.33Å; F156-K161 HydrophobicContact CE1-CG 4.48Å; F156-K161 HydrophobicContact CZ-CG 4.01Å; D158-K161 WeakPolarHBondContact O-CB 3.49Å; D158-K161 PolarHBondContact O-N 3.25Å; D158-K161 WeakPolarHBondContact OD1-CE 3.43Å; D158-K161 IonicContact OD1-NZ 2.67Å; D158-K161 PolarHBondContact OD1-NZ 2.93Å; K161-A177 HydrophobicContact CB-CB 3.86Å; K161-A177 WeakPolarHBondContact O-CB 3.4Å; K161-A177 PolarHBondContact O-N 3.35Å |
| 162 | F | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 135.2 | 177.6 | -58.7 | -81.5 | 0 | 0 | 0 | 111 | I130 V131 I133 L142 M144 C160 E164 Y174 A175 V190 | I130-F162 CarbonylContact C-O 3.54Å; I130-F162 WeakPolarHBondContact CA-O 3.41Å; V131-F162 HydrophobicContact CG2-CB 4.34Å; V131-F162 PolarHBondContact N-O 3.4Å; V131-F162 PolarHBondContact O-N 2.93Å; I133-F162 HydrophobicContact CD1-CD2 4.34Å; L142-F162 HydrophobicContact CB-CE2 4.01Å; L142-F162 HydrophobicContact CB-CZ 4.42Å; L142-F162 HydrophobicContact CD2-CE2 3.95Å; L142-F162 HydrophobicContact CD2-CZ 4.05Å; L142-F162 HydrophobicContact CG-CE2 3.82Å; L142-F162 HydrophobicContact CG-CZ 3.8Å; L142-F162 VanDerWaalsContact O-CE2 3.26Å; L142-F162 WeakPolarHBondContact O-CE2 3.26Å; M144-F162 HydrophobicContact CB-CE1 4.11Å; M144-F162 HydrophobicContact CB-CZ 4.44Å; M144-F162 HydrophobicContact CE-CE1 4.41Å; C160-F162 WeakPolarHBondContact O-CD2 3.29Å; C160-F162 WeakPolarHBondContact O-CE2 3.08Å; F162-E164 PolarHBondContact O-N 2.86Å; F162-Y174 HydrophobicContact CB-CD1 4.48Å; F162-A175 CarbonylContact C-O 3.57Å; F162-A175 WeakPolarHBondContact CA-O 3.4Å; F162-A175 WeakPolarHBondContact CB-O 3.41Å; F162-V190 HydrophobicContact CD1-CG2 3.74Å; F162-V190 HydrophobicContact CE1-CG2 3.62Å; F162-V190 HydrophobicContact CG-CG2 4.48Å; F162-V190 HydrophobicContact CZ-CG2 4.29Å |
| 163 | R | 97.3 | Very high | 94.6 | Very high | 62 Ų | 62 | 65.2 Ų | 65.2 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 113.6 | 170.1 | -161.3 | 177.5 | 64.7 | -152.6 | -13.3 | 109.6 | G129 I130 R165 A175 E187 | G129-R163 CarbonylContact O-C 3.53Å; G129-R163 VanDerWaalsContact O-CA 3.25Å; G129-R163 WeakPolarHBondContact O-CA 3.29Å; G129-R163 WeakPolarHBondContact O-CG 3.48Å; I130-R163 HydrophobicContact CD1-CB 3.72Å; I130-R163 HydrophobicContact CD1-CG 3.75Å; R163-R165 VanDerWaalsContact CZ-NH2 3.3Å; R163-R165 VanDerWaalsContact NH2-NH1 3.1Å; R163-A175 PolarHBondContact N-O 3.18Å; R163-A175 PolarHBondContact O-N 3.21Å; R163-E187 IonicContact CZ-OE1 3.11Å; R163-E187 IonicContact CZ-OE2 3.91Å; R163-E187 IonicContact NH1-OE1 2.8Å; R163-E187 PolarHBondContact NH1-OE1 3.48Å; R163-E187 IonicContact NH2-OE1 2.62Å; R163-E187 PolarHBondContact NH2-OE1 2.77Å; R163-E187 IonicContact NH2-OE2 2.76Å; R163-E187 PolarHBondContact NH2-OE2 3.05Å |
| 164 | E | 96.3 | Very high | 94.6 | Very high | 36 Ų | 36 | 64.2 Ų | 64.2 | 17% | 0.168 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.3 | 175 | -178.5 | 167.7 | -123.7 | 0 | 0 | 108.7 | R87 G129 V131 F162 N172 T173 Y174 | R87-E164 IonicContact CZ-OE2 3.89Å; R87-E164 IonicContact NH2-OE1 2.89Å; R87-E164 PolarHBondContact NH2-OE1 2.87Å; R87-E164 IonicContact NH2-OE2 3.95Å; R87-E164 PolarHBondContact NH2-OE2 3.3Å; G129-E164 PolarHBondContact O-N 2.79Å; V131-E164 HydrophobicContact CG1-CB 4Å; V131-E164 HydrophobicContact CG2-CB 4.04Å; F162-E164 PolarHBondContact O-N 2.86Å; E164-N172 HydrophobicContact CG-CB 4.42Å; E164-N172 PolarHBondContact OE1-ND2 2.84Å; E164-T173 WeakPolarHBondContact CA-O 3.46Å; E164-Y174 HydrophobicContact CB-CD1 4.09Å; E164-Y174 HydrophobicContact CB-CE1 3.84Å; E164-Y174 HydrophobicContact CG-CD1 4.3Å; E164-Y174 HydrophobicContact CG-CE1 3.65Å; E164-Y174 VanDerWaalsContact OE1-CE1 3.23Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.47Å; E164-Y174 VanDerWaalsContact OE1-CZ 3.32Å; E164-Y174 PolarHBondContact OE1-OH 3.43Å |
| 165 | R | 95.1 | Very high | 94.6 | Very high | 116 Ų | 116 | 61.1 Ų | 61.1 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.1 | 170.5 | -75.7 | -168.9 | 174.9 | 152.1 | -2.3 | 110.2 | R163 N172 T173 E187 | R163-R165 VanDerWaalsContact CZ-NH2 3.3Å; R163-R165 VanDerWaalsContact NH2-NH1 3.1Å; R165-N172 WeakPolarHBondContact O-CA 3.44Å; R165-T173 PolarHBondContact N-O 3.13Å; R165-T173 PolarHBondContact O-N 3.36Å; R165-T173 PolarHBondContact O-OG1 2.81Å; R165-E187 IonicContact NH1-OE1 3.96Å; R165-E187 IonicContact NH1-OE2 3.63Å |
| 166 | F | 92.8 | Very high | 94.7 | Very high | 144 Ų | 144 | 53.6 Ų | 53.6 | 63% | 0.632 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 132.2 | 170.8 | -167.7 | -100.4 | 0 | 0 | 0 | 109.5 | N172 | F166-N172 VanDerWaalsContact CD2-OD1 3.29Å; F166-N172 WeakPolarHBondContact CD2-OD1 3.43Å |
| 167 | Q | 91.3 | Very high | 94.6 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | trans | -99.9 | 150.9 | 173.8 | -161 | 70.2 | 20.9 | 0 | 0 | 109.1 | N169 S170 Y171 | Q167-N169 PolarHBondContact O-N 2.92Å; Q167-S170 PolarHBondContact O-N 2.78Å; Q167-Y171 WeakPolarHBondContact CA-O 3.37Å; Q167-Y171 WeakPolarHBondContact CB-O 3.45Å; Q167-Y171 PolarHBondContact N-O 2.93Å | ||
| 168 | E | 82.9 | Confident | 94.5 | Very high | 180 Ų | 180 | 53 Ų | 53 | 84% | 0.841 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -27.9 | 177.8 | -65.9 | 166.5 | -174 | 0 | 0 | 113.9 | S170 | E168-S170 PolarHBondContact O-N 3.22Š|
| 169 | N | 84.8 | Confident | 94.4 | Very high | 85 Ų | 85 | 49.9 Ų | 49.9 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 13.3 | -179.4 | -64.7 | -20.9 | 0 | 0 | 0 | 114.5 | R94 Q167 Y171 | R94-N169 PolarHBondContact NH2-ND2 2.84Å; Q167-N169 PolarHBondContact O-N 2.92Å; N169-Y171 HydrophobicContact CB-CD2 4.04Å; N169-Y171 WeakPolarHBondContact O-CD2 3.44Å; N169-Y171 PolarHBondContact O-N 3.3Å |
| 170 | S | 87.8 | Confident | 94.3 | Very high | 74 Ų | 74 | 56 Ų | 56 | 52% | 0.517 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 62.7 | 19 | -172 | -53.9 | 0 | 0 | 0 | 0 | 115.2 | Q167 E168 | Q167-S170 PolarHBondContact O-N 2.78Å; E168-S170 PolarHBondContact O-N 3.22Å |
| 171 | Y | 94.3 | Very high | 94.1 | Very high | 39 Ų | 39 | 57.9 Ų | 57.9 | 15% | 0.153 | 28% | 0.277 | C | S | . | . | trans | -105.7 | 151 | 171.2 | -73.9 | -97.1 | 0 | 0 | 0 | 109.9 | R94 Q167 N169 H214 L216 | R94-Y171 HydrophobicContact CB-CE1 4.17Å; R94-Y171 HydrophobicContact CG-CE1 3.93Å; Q167-Y171 WeakPolarHBondContact CA-O 3.37Å; Q167-Y171 WeakPolarHBondContact CB-O 3.45Å; Q167-Y171 PolarHBondContact N-O 2.93Å; N169-Y171 HydrophobicContact CB-CD2 4.04Å; N169-Y171 WeakPolarHBondContact O-CD2 3.44Å; N169-Y171 PolarHBondContact O-N 3.3Å; Y171-H214 HydrophobicContact CD1-CB 3.81Å; Y171-H214 HydrophobicContact CG-CB 3.82Å; Y171-L216 HydrophobicContact CD1-CB 3.85Å; Y171-L216 HydrophobicContact CE1-CB 3.72Å | ||
| 172 | N | 95.9 | Very high | 93.7 | Very high | 16 Ų | 16 | 64 Ų | 64 | 9% | 0.086 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 149.9 | 172.8 | -66.4 | 0.9 | 0 | 0 | 0 | 110.5 | E164 R165 F166 Y174 F215 P217 | E164-N172 HydrophobicContact CG-CB 4.42Å; E164-N172 PolarHBondContact OE1-ND2 2.84Å; R165-N172 WeakPolarHBondContact O-CA 3.44Å; F166-N172 VanDerWaalsContact CD2-OD1 3.29Å; F166-N172 WeakPolarHBondContact CD2-OD1 3.43Å; N172-Y174 HydrophobicContact CB-CE2 4.18Å; N172-F215 PolarHBondContact N-O 3.29Å; N172-F215 PolarHBondContact O-N 2.74Å; N172-P217 HydrophobicContact CB-CG 4.43Å; N172-P217 WeakPolarHBondContact ND2-CG 3.39Å |
| 173 | T | 96.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.3 | 168.4 | 61.9 | 0 | 0 | 0 | 0 | 109.4 | E164 R165 | E164-T173 WeakPolarHBondContact CA-O 3.46Å; R165-T173 PolarHBondContact N-O 3.13Å; R165-T173 PolarHBondContact O-N 3.36Å; R165-T173 PolarHBondContact O-OG1 2.81Å |
| 174 | Y | 97.6 | Very high | 93 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 0% | 0.004 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 104.9 | 179.8 | -62.1 | -74.7 | 0 | 0 | 0 | 108.9 | L91 V131 I133 F162 E164 N172 Y189 V190 F215 | L91-Y174 HydrophobicContact CD1-CE2 4.06Å; L91-Y174 HydrophobicContact CD2-CE2 3.82Å; V131-Y174 HydrophobicContact CG2-CD1 3.91Å; V131-Y174 HydrophobicContact CG2-CE1 3.85Å; I133-Y174 HydrophobicContact CD1-CD1 4.19Å; I133-Y174 HydrophobicContact CD1-CE1 4.39Å; I133-Y174 HydrophobicContact CD1-CG 4.34Å; F162-Y174 HydrophobicContact CB-CD1 4.48Å; E164-Y174 HydrophobicContact CB-CD1 4.09Å; E164-Y174 HydrophobicContact CB-CE1 3.84Å; E164-Y174 HydrophobicContact CG-CD1 4.3Å; E164-Y174 HydrophobicContact CG-CE1 3.65Å; E164-Y174 VanDerWaalsContact OE1-CE1 3.23Å; E164-Y174 WeakPolarHBondContact OE1-CE1 3.47Å; E164-Y174 VanDerWaalsContact OE1-CZ 3.32Å; E164-Y174 PolarHBondContact OE1-OH 3.43Å; N172-Y174 HydrophobicContact CB-CE2 4.18Å; Y174-Y189 CarbonylContact O-C 3.41Å; Y174-Y189 WeakPolarHBondContact O-CA 3.34Å; Y174-V190 PolarHBondContact O-N 2.6Å; Y174-F215 HydrophobicContact CD2-CB 4.21Å; Y174-F215 HydrophobicContact CD2-CD2 4.02Å; Y174-F215 HydrophobicContact CD2-CG 4.33Å; Y174-F215 HydrophobicContact CE2-CB 3.83Å; Y174-F215 HydrophobicContact CE2-CD2 4.49Å; Y174-F215 HydrophobicContact CE2-CG 4.37Å |
| 175 | A | 97.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 147.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F162 R163 A177 E187 W188 Y189 | F162-A175 CarbonylContact C-O 3.57Å; F162-A175 WeakPolarHBondContact CA-O 3.4Å; F162-A175 WeakPolarHBondContact CB-O 3.41Å; R163-A175 PolarHBondContact N-O 3.18Å; R163-A175 PolarHBondContact O-N 3.21Å; A175-A177 PolarHBondContact O-N 3.05Å; A175-E187 HydrophobicContact CB-CB 4.33Å; A175-W188 CarbonylContact C-O 3.56Å; A175-W188 VanDerWaalsContact CA-O 3.24Å; A175-W188 WeakPolarHBondContact CA-O 3.47Å; A175-Y189 HydrophobicContact CB-CD1 3.91Å; A175-Y189 HydrophobicContact CB-CE1 3.76Å; A175-Y189 HydrophobicContact CB-CG 4.44Å |
| 176 | S | 97.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 135.2 | 168.7 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | I178 H179 W188 | S176-I178 VanDerWaalsContact C-N 3.34Å; S176-H179 WeakPolarHBondContact OG-CB 3.37Å; S176-H179 PolarHBondContact OG-CD2 3.22Å; S176-H179 PolarHBondContact OG-N 3Å; S176-H179 VanDerWaalsContact OG-N 3.12Å; S176-W188 PolarHBondContact N-O 2.97Å |
| 177 | A | 95.9 | Very high | 92.8 | Very high | 48 Ų | 48 | 68.7 Ų | 68.7 | 40% | 0.397 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -31.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | I130 K161 A175 | I130-A177 HydrophobicContact CD1-CB 4.07Å; K161-A177 HydrophobicContact CB-CB 3.86Å; K161-A177 WeakPolarHBondContact O-CB 3.4Å; K161-A177 PolarHBondContact O-N 3.35Å; A175-A177 PolarHBondContact O-N 3.05Å |
| 178 | I | 95.3 | Very high | 93.1 | Very high | 77 Ų | 77 | 68 Ų | 68 | 40% | 0.395 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -34.2 | -174.9 | 58.2 | 166.4 | 0 | 0 | 0 | 113.1 | D158 D159 S176 | D158-I178 HydrophobicContact CB-CD1 3.88Å; D158-I178 HydrophobicContact CB-CG2 4.16Å; D159-I178 WeakPolarHBondContact OD1-CD1 3.43Å; S176-I178 VanDerWaalsContact C-N 3.34Å |
| 179 | H | 94.6 | Very high | 93.7 | Very high | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 121.7 | -172.7 | -60.2 | -55.7 | 0 | 0 | 0 | 111.2 | M144 D159 S176 W188 | M144-H179 PolarHBondContact O-CD2 2.74Å; M144-H179 PolarHBondContact O-NE2 3.47Å; M144-H179 VanDerWaalsContact O-NE2 3.11Å; D159-H179 IonicContact OD1-CD2 3.37Å; D159-H179 IonicContact OD1-CE1 3.38Å; D159-H179 PolarHBondContact OD1-CE1 3.21Å; D159-H179 IonicContact OD1-NE2 2.73Å; D159-H179 PolarHBondContact OD1-NE2 3.3Å; S176-H179 WeakPolarHBondContact OG-CB 3.37Å; S176-H179 PolarHBondContact OG-CD2 3.22Å; S176-H179 PolarHBondContact OG-N 3Å; S176-H179 VanDerWaalsContact OG-N 3.12Å; H179-W188 HydrophobicContact CB-CD2 4.17Å; H179-W188 HydrophobicContact CB-CE3 3.49Å; H179-W188 VanDerWaalsContact CB-CE3 3.49Å; H179-W188 HydrophobicContact CB-CZ3 3.77Å |
| 180 | R | 94.7 | Very high | 94.4 | Very high | 168 Ų | 168 | 55.9 Ų | 55.9 | 63% | 0.634 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 159.1 | 174 | 59.3 | -177.2 | 175.1 | 179.4 | -1.3 | 109.6 | E182 R186 | R180-E182 PolarHBondContact O-N 2.94Å; R180-R186 CarbonylContact C-O 3.5Å; R180-R186 WeakPolarHBondContact CA-O 3.49Å; R180-R186 WeakPolarHBondContact CB-O 3.46Å |
| 181 | T | 93.6 | Very high | 94.8 | Very high | 39 Ų | 39 | 52.4 Ų | 52.4 | 24% | 0.239 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 111.1 | 171.5 | -57.5 | 0 | 0 | 0 | 0 | 108.9 | K183 T184 G185 R186 W188 | T181-K183 VanDerWaalsContact C-N 3.34Å; T181-K183 PolarHBondContact O-N 3.31Å; T181-T184 WeakPolarHBondContact CB-OG1 3.17Å; T181-T184 VanDerWaalsContact CG2-OG1 3.28Å; T181-T184 WeakPolarHBondContact CG2-OG1 3.41Å; T181-T184 PolarHBondContact O-N 2.84Å; T181-G185 VanDerWaalsContact O-CA 3.29Å; T181-G185 WeakPolarHBondContact O-CA 3.32Å; T181-G185 PolarHBondContact O-N 2.79Å; T181-R186 PolarHBondContact N-O 3.26Å; T181-R186 PolarHBondContact O-N 2.97Å; T181-W188 PolarHBondContact OG1-NE1 3.32Å |
| 182 | E | 89.3 | Confident | 95 | Very high | 186 Ų | 186 | 50.5 Ų | 50.5 | 87% | 0.869 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -45.1 | -178 | -65.8 | 174.5 | 176.2 | 0 | 0 | 112.4 | R180 T184 | R180-E182 PolarHBondContact O-N 2.94Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.33Å |
| 183 | K | 89.9 | Confident | 95 | Very high | 204 Ų | 204 | 51.9 Ų | 51.9 | 89% | 0.887 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -30.3 | -176.6 | -62.4 | -172.5 | 178.2 | -173 | 0 | 114.5 | T181 | T181-K183 VanDerWaalsContact C-N 3.34Å; T181-K183 PolarHBondContact O-N 3.31Å |
| 184 | T | 89.9 | Confident | 94.9 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 61% | 0.613 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | -1.2 | -171.2 | 59.7 | 0 | 0 | 0 | 0 | 113.4 | T181 E182 R186 | T181-T184 WeakPolarHBondContact CB-OG1 3.17Å; T181-T184 VanDerWaalsContact CG2-OG1 3.28Å; T181-T184 WeakPolarHBondContact CG2-OG1 3.41Å; T181-T184 PolarHBondContact O-N 2.84Å; E182-T184 VanDerWaalsContact C-N 3.29Å; E182-T184 PolarHBondContact O-N 3.33Å; T184-R186 PolarHBondContact O-N 3.04Å; T184-R186 VanDerWaalsContact O-N 3.1Å; T184-R186 WeakPolarHBondContact OG1-CB 3.25Å |
| 185 | G | 91 | Very high | 94.8 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 7.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | T181 E187 | T181-G185 VanDerWaalsContact O-CA 3.29Å; T181-G185 WeakPolarHBondContact O-CA 3.32Å; T181-G185 PolarHBondContact O-N 2.79Å; G185-E187 PolarHBondContact O-N 2.69Å |
| 186 | R | 93.8 | Very high | 94.7 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 24% | 0.242 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 127.8 | -171.8 | 178.6 | -179 | 170.3 | 166.3 | 0.5 | 112 | R180 T181 T184 S203 P204 V206 | R180-R186 CarbonylContact C-O 3.5Å; R180-R186 WeakPolarHBondContact CA-O 3.49Å; R180-R186 WeakPolarHBondContact CB-O 3.46Å; T181-R186 PolarHBondContact N-O 3.26Å; T181-R186 PolarHBondContact O-N 2.97Å; T184-R186 PolarHBondContact O-N 3.04Å; T184-R186 VanDerWaalsContact O-N 3.1Å; T184-R186 WeakPolarHBondContact OG1-CB 3.25Å; R186-S203 PolarHBondContact NH2-O 2.83Å; R186-P204 VanDerWaalsContact NH1-CA 3.29Å; R186-P204 PolarHBondContact NH1-O 3.05Å; R186-P204 PolarHBondContact NH2-O 3.3Å; R186-V206 PolarHBondContact NH2-O 3.19Å |
| 187 | E | 95.1 | Very high | 94.6 | Very high | 44 Ų | 44 | 75.1 Ų | 75.1 | 21% | 0.206 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 148.9 | 179.6 | -60.3 | 169.1 | 156.8 | 0 | 0 | 112.2 | R163 R165 A175 G185 Y189 | R163-E187 IonicContact CZ-OE1 3.11Å; R163-E187 IonicContact CZ-OE2 3.91Å; R163-E187 IonicContact NH1-OE1 2.8Å; R163-E187 PolarHBondContact NH1-OE1 3.48Å; R163-E187 IonicContact NH2-OE1 2.62Å; R163-E187 PolarHBondContact NH2-OE1 2.77Å; R163-E187 IonicContact NH2-OE2 2.76Å; R163-E187 PolarHBondContact NH2-OE2 3.05Å; R165-E187 IonicContact NH1-OE1 3.96Å; R165-E187 IonicContact NH1-OE2 3.63Å; A175-E187 HydrophobicContact CB-CB 4.33Å; G185-E187 PolarHBondContact O-N 2.69Å; E187-Y189 HydrophobicContact CB-CE2 3.71Å; E187-Y189 WeakPolarHBondContact O-CD2 3.17Å; E187-Y189 WeakPolarHBondContact O-CE2 3.4Å; E187-Y189 PolarHBondContact OE2-OH 3.2Å |
| 188 | W | 96.8 | Very high | 94.6 | Very high | 26 Ų | 26 | 74.4 Ų | 74.4 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.9 | 179.2 | -66.1 | 1.6 | 0 | 0 | 0 | 110.3 | M144 K146 G148 A175 S176 H179 T181 C202 | M144-W188 HydrophobicContact CE-CB 4.44Å; M144-W188 HydrophobicContact SD-CB 3.65Å; M144-W188 HydrophobicContact SD-CE3 3.98Å; K146-W188 WeakPolarHBondContact O-CH2 3.18Å; K146-W188 VanDerWaalsContact O-CZ3 3.24Å; K146-W188 WeakPolarHBondContact O-CZ3 3.12Å; G148-W188 VanDerWaalsContact N-CZ3 3.34Å; A175-W188 CarbonylContact C-O 3.56Å; A175-W188 VanDerWaalsContact CA-O 3.24Å; A175-W188 WeakPolarHBondContact CA-O 3.47Å; S176-W188 PolarHBondContact N-O 2.97Å; H179-W188 HydrophobicContact CB-CD2 4.17Å; H179-W188 HydrophobicContact CB-CE3 3.49Å; H179-W188 VanDerWaalsContact CB-CE3 3.49Å; H179-W188 HydrophobicContact CB-CZ3 3.77Å; T181-W188 PolarHBondContact OG1-NE1 3.32Å; W188-C202 HydrophobicContact CD2-CB 3.8Å; W188-C202 VanDerWaalsContact CE2-CB 3.43Å; W188-C202 HydrophobicContact CE3-CB 4.19Å; W188-C202 HydrophobicContact CG-CB 4.41Å; W188-C202 HydrophobicContact CH2-CB 3.96Å; W188-C202 HydrophobicContact CZ2-CB 3.52Å; W188-C202 HydrophobicContact CZ3-CB 4.28Å |
| 189 | Y | 97.2 | Very high | 94.7 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 4% | 0.039 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147.6 | -174.2 | -63.1 | -100.7 | 0 | 0 | 0 | 111.7 | Y174 A175 E187 A191 G201 P208 T213 | Y174-Y189 CarbonylContact O-C 3.41Å; Y174-Y189 WeakPolarHBondContact O-CA 3.34Å; A175-Y189 HydrophobicContact CB-CD1 3.91Å; A175-Y189 HydrophobicContact CB-CE1 3.76Å; A175-Y189 HydrophobicContact CB-CG 4.44Å; E187-Y189 HydrophobicContact CB-CE2 3.71Å; E187-Y189 WeakPolarHBondContact O-CD2 3.17Å; E187-Y189 WeakPolarHBondContact O-CE2 3.4Å; E187-Y189 PolarHBondContact OE2-OH 3.2Å; Y189-A191 PolarHBondContact O-N 3.2Å; Y189-G201 WeakPolarHBondContact O-CA 3.49Å; Y189-P208 HydrophobicContact CE1-CB 3.91Å; Y189-P208 HydrophobicContact CE2-CB 4.27Å; Y189-P208 HydrophobicContact CE2-CG 4.21Å; Y189-T213 HydrophobicContact CG-CG2 4.15Å |
| 190 | V | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | trans | -59.8 | 132.2 | 161.6 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | L142 M144 L150 F162 Y174 F215 | L142-V190 HydrophobicContact CD2-CG1 4.23Å; L142-V190 HydrophobicContact CD2-CG2 4.07Å; M144-V190 HydrophobicContact CE-CG2 4.41Å; L150-V190 HydrophobicContact CD1-CB 4.43Å; L150-V190 HydrophobicContact CD1-CG1 3.77Å; L150-V190 HydrophobicContact CD2-CG1 4.5Å; L150-V190 HydrophobicContact CD2-CG2 4.14Å; F162-V190 HydrophobicContact CD1-CG2 3.74Å; F162-V190 HydrophobicContact CE1-CG2 3.62Å; F162-V190 HydrophobicContact CG-CG2 4.48Å; F162-V190 HydrophobicContact CZ-CG2 4.29Å; Y174-V190 PolarHBondContact O-N 2.6Å; V190-F215 HydrophobicContact CB-CE2 4.21Å; V190-F215 HydrophobicContact CG1-CE2 3.92Å; V190-F215 HydrophobicContact CG1-CZ 3.84Å; V190-F215 WeakPolarHBondContact O-CE2 3.37Å | ||
| 191 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -154.5 | 145.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y189 K199 V206 S212 T213 | Y189-A191 PolarHBondContact O-N 3.2Å; A191-K199 HydrophobicContact CB-CB 4.05Å; A191-K199 HydrophobicContact CB-CD 4.5Å; A191-K199 PolarHBondContact O-N 3.04Å; A191-V206 HydrophobicContact CB-CG1 3.76Å; A191-V206 HydrophobicContact CB-CG2 3.93Å; A191-S212 WeakPolarHBondContact CA-O 3.5Å; A191-S212 WeakPolarHBondContact CB-O 3.37Å; A191-T213 HydrophobicContact CB-CG2 4.06Å | ||
| 192 | L | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -110.6 | 149.6 | 171.1 | -61.8 | -178.4 | 0 | 0 | 0 | 110.9 | C93 V95 F99 L101 A198 S212 F215 | C93-L192 HydrophobicContact CB-CD1 4.07Å; V95-L192 HydrophobicContact CG1-CB 4.04Å; F99-L192 HydrophobicContact CB-CD1 3.89Å; L101-L192 HydrophobicContact CD1-CD1 4.35Å; L101-L192 HydrophobicContact CD1-CD2 3.92Å; L101-L192 HydrophobicContact CD1-CG 4.39Å; L192-A198 HydrophobicContact CD2-CB 4.43Å; L192-S212 PolarHBondContact N-O 2.95Å; L192-S212 VanDerWaalsContact N-O 3.13Å; L192-S212 WeakPolarHBondContact O-CB 3.49Å; L192-F215 HydrophobicContact CD1-CE1 4.09Å; L192-F215 HydrophobicContact CG-CE1 4.15Å; L192-F215 HydrophobicContact CG-CZ 4.14Å |
| 193 | N | 96.3 | Very high | 95 | Very high | 44 Ų | 44 | 64 Ų | 64 | 24% | 0.235 | 31% | 0.305 | C | S | . | . | trans | -85.4 | 171.8 | 171.7 | 73 | 13.8 | 0 | 0 | 0 | 111.1 | V95 R195 G196 K197 K199 | V95-N193 WeakPolarHBondContact CG1-O 3.45Å; N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 VanDerWaalsContact OD1-CA 3.23Å; N193-R195 WeakPolarHBondContact OD1-CA 3.41Å; N193-R195 WeakPolarHBondContact OD1-CB 3.17Å; N193-R195 PolarHBondContact OD1-N 2.87Å; N193-G196 PolarHBondContact O-N 3.43Å; N193-G196 PolarHBondContact OD1-N 2.75Å; N193-K197 VanDerWaalsContact CG-O 3.31Å; N193-K197 PolarHBondContact N-O 3.16Å; N193-K197 WeakPolarHBondContact ND2-CB 3.27Å; N193-K197 PolarHBondContact OD1-N 3.29Å; N193-K197 PolarHBondContact OD1-O 2.97Å; N193-K199 HydrophobicContact CB-CD 3.93Å; N193-K199 HydrophobicContact CB-CG 3.8Å | ||
| 194 | K | 95.7 | Very high | 95.1 | Very high | 157 Ų | 157 | 58.8 Ų | 58.8 | 68% | 0.683 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -11.8 | 176.1 | -64.1 | -175.9 | 177.2 | -172.9 | 0 | 114.2 | V95 F99 | V95-K194 HydrophobicContact CG2-CG 3.92Å; F99-K194 WeakPolarHBondContact CE2-O 3.4Å; F99-K194 WeakPolarHBondContact CZ-O 3.04Å |
| 195 | R | 94.9 | Very high | 95.1 | Very high | 212 Ų | 212 | 63.2 Ų | 63.2 | 80% | 0.8 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | 9.8 | 177.5 | -54.5 | -178.3 | -178.2 | -179.3 | -0.1 | 112.3 | N193 K197 | N193-R195 PolarHBondContact O-N 3.34Å; N193-R195 VanDerWaalsContact OD1-CA 3.23Å; N193-R195 WeakPolarHBondContact OD1-CA 3.41Å; N193-R195 WeakPolarHBondContact OD1-CB 3.17Å; N193-R195 PolarHBondContact OD1-N 2.87Å; R195-K197 VanDerWaalsContact C-N 3.3Å; R195-K197 PolarHBondContact O-N 3.46Å |
| 196 | G | 94 | Very high | 95.3 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 77.6 | -5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | F99 N110 G111 N193 | F99-G196 VanDerWaalsContact CD1-CA 3.5Å; F99-G196 VanDerWaalsContact CZ-N 3.31Å; N110-G196 CarbonylContact C-O 3.52Å; G111-G196 WeakPolarHBondContact CA-O 3.37Å; G111-G196 PolarHBondContact N-O 2.72Å; N193-G196 PolarHBondContact O-N 3.43Å; N193-G196 PolarHBondContact OD1-N 2.75Å |
| 197 | K | 96.2 | Very high | 95.3 | Very high | 129 Ų | 129 | 63.4 Ų | 63.4 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | B | Isolated β-bridge | trans | -77.9 | 145.2 | 178.4 | -51.6 | -172.8 | 174.8 | -175.9 | 0 | 111.8 | N193 R195 K199 | N193-K197 VanDerWaalsContact CG-O 3.31Å; N193-K197 PolarHBondContact N-O 3.16Å; N193-K197 WeakPolarHBondContact ND2-CB 3.27Å; N193-K197 PolarHBondContact OD1-N 3.29Å; N193-K197 PolarHBondContact OD1-O 2.97Å; R195-K197 VanDerWaalsContact C-N 3.3Å; R195-K197 PolarHBondContact O-N 3.46Å; K197-K199 PolarHBondContact O-N 3.43Å |
| 198 | A | 96.6 | Very high | 95.2 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 132.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | V109 L150 L192 | V109-A198 WeakPolarHBondContact O-CB 3.44Å; L150-A198 HydrophobicContact CB-CB 4.18Å; L150-A198 HydrophobicContact CD1-CB 4.06Å; L192-A198 HydrophobicContact CD2-CB 4.43Å |
| 199 | K | 95.9 | Very high | 95 | Very high | 41 Ų | 41 | 67.8 Ų | 67.8 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 155 | 172.6 | -70.4 | 177.6 | 68.5 | -178.7 | 0 | 110.1 | A191 N193 K197 V206 | A191-K199 HydrophobicContact CB-CB 4.05Å; A191-K199 HydrophobicContact CB-CD 4.5Å; A191-K199 PolarHBondContact O-N 3.04Å; N193-K199 HydrophobicContact CB-CD 3.93Å; N193-K199 HydrophobicContact CB-CG 3.8Å; K197-K199 PolarHBondContact O-N 3.43Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.34Å |
| 200 | R | 96.3 | Very high | 94.9 | Very high | 162 Ų | 162 | 71 Ų | 71 | 61% | 0.611 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 127.8 | 169.6 | -66.7 | -172 | -69.3 | -164.5 | -1.3 | 110.1 | G148 C202 S203 | G148-R200 CarbonylContact O-C 3.56Å; G148-R200 WeakPolarHBondContact O-CA 3.42Å; R200-C202 VanDerWaalsContact C-N 3.26Å; R200-C202 PolarHBondContact O-N 3.45Å; R200-S203 WeakPolarHBondContact O-CB 3.41Å; R200-S203 PolarHBondContact O-N 3.06Å |
| 201 | G | 94 | Very high | 94.7 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G148 Y189 S203 | G148-G201 PolarHBondContact O-N 2.75Å; Y189-G201 WeakPolarHBondContact O-CA 3.49Å; G201-S203 PolarHBondContact O-N 2.68Å |
| 202 | C | 94.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 74 Ų | 74 | 30% | 0.297 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -7.7 | 174.7 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | K147 W188 R200 | K147-C202 PolarHBondContact O-SG 3.38Å; W188-C202 HydrophobicContact CD2-CB 3.8Å; W188-C202 VanDerWaalsContact CE2-CB 3.43Å; W188-C202 HydrophobicContact CE3-CB 4.19Å; W188-C202 HydrophobicContact CG-CB 4.41Å; W188-C202 HydrophobicContact CH2-CB 3.96Å; W188-C202 HydrophobicContact CZ2-CB 3.52Å; W188-C202 HydrophobicContact CZ3-CB 4.28Å; R200-C202 VanDerWaalsContact C-N 3.26Å; R200-C202 PolarHBondContact O-N 3.45Å |
| 203 | S | 94.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 74 Ų | 74 | 20% | 0.203 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -66.7 | 136.9 | -177 | 180 | 0 | 0 | 0 | 0 | 111.3 | R186 R200 G201 R205 V206 | R186-S203 PolarHBondContact NH2-O 2.83Å; R200-S203 WeakPolarHBondContact O-CB 3.41Å; R200-S203 PolarHBondContact O-N 3.06Å; G201-S203 PolarHBondContact O-N 2.68Å; S203-R205 PolarHBondContact O-N 2.76Å; S203-V206 PolarHBondContact O-N 2.85Å |
| 204 | P | 91.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 72 Ų | 72 | 61% | 0.61 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -18.3 | -179.7 | 23.9 | -34 | 0 | 0 | 0 | 113.6 | R186 V206 | R186-P204 VanDerWaalsContact NH1-CA 3.29Å; R186-P204 PolarHBondContact NH1-O 3.05Å; R186-P204 PolarHBondContact NH2-O 3.3Å; P204-V206 VanDerWaalsContact C-N 3.34Å |
| 205 | R | 91.8 | Very high | 94.7 | Very high | 193 Ų | 193 | 64.5 Ų | 64.5 | 73% | 0.728 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.3 | 177.5 | -56.9 | -178.4 | -172.6 | 174.2 | 2.3 | 113.8 | S203 | S203-R205 PolarHBondContact O-N 2.76Š|
| 206 | V | 94.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | trans | -99.5 | 88.2 | -176.9 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | R186 A191 K199 S203 P204 T213 | R186-V206 PolarHBondContact NH2-O 3.19Å; A191-V206 HydrophobicContact CB-CG1 3.76Å; A191-V206 HydrophobicContact CB-CG2 3.93Å; K199-V206 HydrophobicContact CB-CG2 4.13Å; K199-V206 HydrophobicContact CD-CG2 4.34Å; S203-V206 PolarHBondContact O-N 2.85Å; P204-V206 VanDerWaalsContact C-N 3.34Å; V206-T213 HydrophobicContact CG1-CG2 3.57Å | ||
| 207 | K | 93.6 | Very high | 94.7 | Very high | 111 Ų | 111 | 58.2 Ų | 58.2 | 48% | 0.483 | 28% | 0.281 | S | S | . | . | trans | -109.6 | 153.8 | -178.8 | -67.7 | -174.5 | 177.6 | -176.5 | 0 | 110.1 | Q209 H210 T213 | K207-Q209 PolarHBondContact O-N 2.77Å; K207-H210 HydrophobicContact CB-CB 4.28Å; K207-H210 WeakPolarHBondContact O-CB 3.08Å; K207-H210 PolarHBondContact O-N 3.16Å; K207-T213 WeakPolarHBondContact O-CG2 3.23Å; K207-T213 PolarHBondContact O-OG1 3.33Å | ||
| 208 | P | 92.8 | Very high | 94.5 | Very high | 30 Ų | 30 | 57 Ų | 57 | 20% | 0.195 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33.5 | 176.7 | 17.2 | -25.6 | 0 | 0 | 0 | 113.2 | Y189 H210 T213 H214 | Y189-P208 HydrophobicContact CE1-CB 3.91Å; Y189-P208 HydrophobicContact CE2-CB 4.27Å; Y189-P208 HydrophobicContact CE2-CG 4.21Å; P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.5Å; P208-T213 PolarHBondContact O-OG1 3.02Å; P208-H214 PolarHBondContact O-CD2 3.44Å; P208-H214 PolarHBondContact O-NE2 3.35Å |
| 209 | Q | 92.7 | Very high | 94.1 | Very high | 132 Ų | 132 | 59.3 Ų | 59.3 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -15.8 | 178.2 | -56 | 82.2 | 3.3 | 0 | 0 | 113.4 | K207 | K207-Q209 PolarHBondContact O-N 2.77Š|
| 210 | H | 94.5 | Very high | 93.3 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -83.6 | 131.9 | -172 | -174 | -91.1 | 0 | 0 | 0 | 111.3 | K207 P208 S212 T213 H214 | K207-H210 HydrophobicContact CB-CB 4.28Å; K207-H210 WeakPolarHBondContact O-CB 3.08Å; K207-H210 PolarHBondContact O-N 3.16Å; P208-H210 VanDerWaalsContact C-N 3.3Å; P208-H210 PolarHBondContact O-N 3.5Å; H210-S212 VanDerWaalsContact ND1-CB 3.31Å; H210-S212 WeakPolarHBondContact ND1-CB 3.31Å; H210-S212 PolarHBondContact ND1-N 2.99Å; H210-S212 VanDerWaalsContact ND1-N 3.19Å; H210-S212 PolarHBondContact ND1-OG 2.86Å; H210-S212 PolarHBondContact O-N 3.29Å; H210-T213 PolarHBondContact O-N 3.44Å; H210-T213 PolarHBondContact O-OG1 2.77Å; H210-H214 PolarHBondContact O-CD2 3.14Å |
| 211 | I | 94.3 | Very high | 91.5 | Very high | 65 Ų | 65 | 65.5 Ų | 65.5 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -51.6 | -22.9 | -176.6 | 58.7 | 169 | 0 | 0 | 0 | 115.7 | V95 T213 H214 | V95-I211 HydrophobicContact CG2-CD1 4.33Å; V95-I211 HydrophobicContact CG2-CG1 4.41Å; I211-T213 PolarHBondContact O-N 3.08Å; I211-H214 PolarHBondContact O-N 3.47Å |
| 212 | S | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -65.6 | -21.3 | 176.1 | 64.5 | 0 | 0 | 0 | 0 | 114.7 | A191 L192 H210 | A191-S212 WeakPolarHBondContact CA-O 3.5Å; A191-S212 WeakPolarHBondContact CB-O 3.37Å; L192-S212 PolarHBondContact N-O 2.95Å; L192-S212 VanDerWaalsContact N-O 3.13Å; L192-S212 WeakPolarHBondContact O-CB 3.49Å; H210-S212 VanDerWaalsContact ND1-CB 3.31Å; H210-S212 WeakPolarHBondContact ND1-CB 3.31Å; H210-S212 PolarHBondContact ND1-N 2.99Å; H210-S212 VanDerWaalsContact ND1-N 3.19Å; H210-S212 PolarHBondContact ND1-OG 2.86Å; H210-S212 PolarHBondContact O-N 3.29Å |
| 213 | T | 96.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -99.5 | -3.3 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 112.3 | Y189 A191 V206 K207 P208 H210 I211 F215 | Y189-T213 HydrophobicContact CG-CG2 4.15Å; A191-T213 HydrophobicContact CB-CG2 4.06Å; V206-T213 HydrophobicContact CG1-CG2 3.57Å; K207-T213 WeakPolarHBondContact O-CG2 3.23Å; K207-T213 PolarHBondContact O-OG1 3.33Å; P208-T213 PolarHBondContact O-OG1 3.02Å; H210-T213 PolarHBondContact O-N 3.44Å; H210-T213 PolarHBondContact O-OG1 2.77Å; I211-T213 PolarHBondContact O-N 3.08Å; T213-F215 VanDerWaalsContact O-CD2 3.25Å; T213-F215 WeakPolarHBondContact O-CD2 3.38Å |
| 214 | H | 96.1 | Very high | 85 | Confident | 1 Ų | 1 | 81 Ų | 81 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | trans | -88.6 | 114.3 | -175.8 | -72 | -140.2 | 0 | 0 | 0 | 107.9 | C93 R94 Y171 P208 H210 I211 | C93-H214 WeakPolarHBondContact CA-O 3.21Å; C93-H214 PolarHBondContact SG-O 2.83Å; R94-H214 PolarHBondContact NH2-ND1 2.95Å; R94-H214 VanDerWaalsContact NH2-ND1 3.2Å; Y171-H214 HydrophobicContact CD1-CB 3.81Å; Y171-H214 HydrophobicContact CG-CB 3.82Å; P208-H214 PolarHBondContact O-CD2 3.44Å; P208-H214 PolarHBondContact O-NE2 3.35Å; H210-H214 PolarHBondContact O-CD2 3.14Å; I211-H214 PolarHBondContact O-N 3.47Å | ||
| 215 | F | 97 | Very high | 83.1 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 129.5 | 176.9 | -66.8 | -90.2 | 0 | 0 | 0 | 109.4 | L91 Y92 C93 L101 N172 Y174 V190 L192 T213 P217 | L91-F215 HydrophobicContact CB-CD1 4.11Å; L91-F215 HydrophobicContact CD2-CB 4.37Å; Y92-F215 CarbonylContact O-C 3.57Å; Y92-F215 WeakPolarHBondContact O-CA 3.49Å; C93-F215 HydrophobicContact CB-CD1 3.74Å; C93-F215 HydrophobicContact CB-CE1 3.62Å; C93-F215 HydrophobicContact CB-CZ 4.29Å; L101-F215 HydrophobicContact CB-CE1 4.41Å; N172-F215 PolarHBondContact N-O 3.29Å; N172-F215 PolarHBondContact O-N 2.74Å; Y174-F215 HydrophobicContact CD2-CB 4.21Å; Y174-F215 HydrophobicContact CD2-CD2 4.02Å; Y174-F215 HydrophobicContact CD2-CG 4.33Å; Y174-F215 HydrophobicContact CE2-CB 3.83Å; Y174-F215 HydrophobicContact CE2-CD2 4.49Å; Y174-F215 HydrophobicContact CE2-CG 4.37Å; V190-F215 HydrophobicContact CB-CE2 4.21Å; V190-F215 HydrophobicContact CG1-CE2 3.92Å; V190-F215 HydrophobicContact CG1-CZ 3.84Å; V190-F215 WeakPolarHBondContact O-CE2 3.37Å; L192-F215 HydrophobicContact CD1-CE1 4.09Å; L192-F215 HydrophobicContact CG-CE1 4.15Å; L192-F215 HydrophobicContact CG-CZ 4.14Å; T213-F215 VanDerWaalsContact O-CD2 3.25Å; T213-F215 WeakPolarHBondContact O-CD2 3.38Å; F215-P217 WeakPolarHBondContact O-CD 3.39Å |
| 216 | L | 95.4 | Very high | 81 | Confident | 58 Ų | 58 | 81 Ų | 81 | 30% | 0.304 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 113.4 | 172.4 | 179.4 | 63.8 | 0 | 0 | 0 | 108 | Y92 Y171 R218 | Y92-L216 HydrophobicContact CD1-CB 4.41Å; Y92-L216 PolarHBondContact N-O 3.5Å; Y92-L216 PolarHBondContact O-N 3.45Å; Y171-L216 HydrophobicContact CD1-CB 3.85Å; Y171-L216 HydrophobicContact CE1-CB 3.72Å; L216-R218 HydrophobicContact CD2-CG 4.38Å; L216-R218 HydrophobicContact CG-CG 4.25Å; L216-R218 PolarHBondContact O-N 3.26Å |
| 217 | P | 94 | Very high | 79.1 | Confident | 23 Ų | 23 | 87.1 Ų | 87.1 | 15% | 0.149 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 119.4 | 171.1 | -15.8 | 30.9 | 0 | 0 | 0 | 110.1 | L91 N172 F215 F219 | L91-P217 HydrophobicContact CD2-CB 4.09Å; L91-P217 HydrophobicContact CD2-CG 4.06Å; N172-P217 HydrophobicContact CB-CG 4.43Å; N172-P217 WeakPolarHBondContact ND2-CG 3.39Å; F215-P217 WeakPolarHBondContact O-CD 3.39Å; P217-F219 HydrophobicContact CB-CD2 4.27Å; P217-F219 HydrophobicContact CB-CE1 3.81Å; P217-F219 HydrophobicContact CB-CE2 3.49Å; P217-F219 VanDerWaalsContact CB-CE2 3.49Å; P217-F219 HydrophobicContact CB-CZ 3.22Å; P217-F219 HydrophobicContact CG-CE2 4.45Å; P217-F219 HydrophobicContact CG-CZ 4.16Å |
| 218 | R | 92.9 | Very high | 76.8 | Confident | 104 Ų | 104 | 86.1 Ų | 86.1 | 39% | 0.392 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 87.9 | 174.2 | -54.7 | -169.8 | -49.7 | 165.7 | 18.2 | 107.9 | G89 S90 H100 L216 | G89-R218 CarbonylContact C-O 3.43Å; G89-R218 WeakPolarHBondContact CA-O 3.49Å; S90-R218 PolarHBondContact N-O 3.42Å; S90-R218 PolarHBondContact O-N 2.65Å; S90-R218 PolarHBondContact OG-NE 2.84Å; S90-R218 PolarHBondContact OG-NH2 3.46Å; H100-R218 PolarHBondContact CD2-NH2 3.35Å; H100-R218 VanDerWaalsContact CD2-NH2 3.29Å; H100-R218 PolarHBondContact NE2-NH1 2.93Å; H100-R218 PolarHBondContact NE2-NH2 3.28Å; L216-R218 HydrophobicContact CD2-CG 4.38Å; L216-R218 HydrophobicContact CG-CG 4.25Å; L216-R218 PolarHBondContact O-N 3.26Å |
| 219 | F | 88.1 | Confident | 75.1 | Confident | 81 Ų | 81 | 92.7 Ų | 92.7 | 36% | 0.355 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 138.1 | 180 | -56.2 | -58.2 | 0 | 0 | 0 | 110.4 | R87 T88 I123 P217 | R87-F219 HydrophobicContact CB-CD1 3.48Å; R87-F219 VanDerWaalsContact CB-CD1 3.48Å; R87-F219 HydrophobicContact CB-CD2 4.44Å; R87-F219 HydrophobicContact CB-CE1 3.31Å; R87-F219 HydrophobicContact CB-CE2 4.3Å; R87-F219 HydrophobicContact CB-CG 4.06Å; R87-F219 HydrophobicContact CB-CZ 3.76Å; R87-F219 HydrophobicContact CG-CE1 4.32Å; R87-F219 HydrophobicContact CG-CZ 4.3Å; R87-F219 VanDerWaalsContact CZ-CZ 3.49Å; T88-F219 WeakPolarHBondContact O-CA 3.13Å; I123-F219 HydrophobicContact CD1-CE1 3.85Å; I123-F219 HydrophobicContact CD1-CZ 4.19Å; I123-F219 HydrophobicContact CG1-CE1 4.35Å; P217-F219 HydrophobicContact CB-CD2 4.27Å; P217-F219 HydrophobicContact CB-CE1 3.81Å; P217-F219 HydrophobicContact CB-CE2 3.49Å; P217-F219 VanDerWaalsContact CB-CE2 3.49Å; P217-F219 HydrophobicContact CB-CZ 3.22Å; P217-F219 HydrophobicContact CG-CE2 4.45Å; P217-F219 HydrophobicContact CG-CZ 4.16Å |
| 220 | K | 78.9 | Confident | 73.5 | Confident | 155 Ų | 155 | 92.2 Ų | 92.2 | 67% | 0.674 | 47% | 0.468 | S | S | * | . | trans | -85.3 | 115.1 | 164.3 | -66.9 | -167.3 | 177.1 | -169.8 | 0 | 105.4 | T88 S222 | T88-K220 PolarHBondContact O-N 3.39Å; K220-S222 VanDerWaalsContact C-N 3.35Å; K220-S222 PolarHBondContact O-N 3.47Å | ||
| 221 | Q | 58.9 | Low | 71.4 | Confident | 178 Ų | 178 | 93.7 Ų | 93.7 | 83% | 0.832 | 48% | 0.483 | S | S | * | . | trans | -63.6 | 106.4 | 163.6 | -165.1 | 165.2 | 1.4 | 0 | 0 | 104.5 | E223 | Q221-E223 PolarHBondContact O-N 3.1Å; Q221-E223 VanDerWaalsContact O-N 3.13Å | ||
| 222 | S | 54.3 | Low | 69.5 | Low | 97 Ų | 97 | 96.3 Ų | 96.3 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | trans | -55.4 | 123.2 | 164.5 | 51.6 | 0 | 0 | 0 | 0 | 104.7 | K220 Q224 | K220-S222 VanDerWaalsContact C-N 3.35Å; K220-S222 PolarHBondContact O-N 3.47Å; S222-Q224 PolarHBondContact O-N 3.39Å | ||
| 223 | E | 47.4 | Very low | 67.5 | Low | 183 Ų | 183 | 102 Ų | 102 | 86% | 0.855 | 54% | 0.536 | S | S | * | . | trans | -43.9 | 124.9 | 168 | -63.1 | -158.8 | 163.7 | 0 | 0 | 106.8 | Q221 | Q221-E223 PolarHBondContact O-N 3.1Å; Q221-E223 VanDerWaalsContact O-N 3.13Å | ||
| 224 | Q | 44 | Very low | 65 | Low | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | trans | -53.3 | 135.6 | 173.4 | -64.3 | -152.5 | -16.8 | 0 | 0 | 105.7 | S222 E226 | S222-Q224 PolarHBondContact O-N 3.39Å; Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.11Å | ||
| 225 | P | 51.6 | Low | 62.8 | Low | 119 Ų | 119 | 116 Ų | 116 | 77% | 0.773 | 61% | 0.611 | S | S | * | * | trans | -51.2 | 114 | 159.1 | 22.2 | -28.1 | 0 | 0 | 0 | 103.6 | L227 | P225-L227 PolarHBondContact O-N 3.38Š| ||
| 226 | E | 47.7 | Very low | 60 | Low | 168 Ų | 168 | 125 Ų | 125 | 79% | 0.785 | 65% | 0.651 | S | S | * | * | trans | -43 | 120.2 | -173.9 | -75.6 | -149.4 | 153.4 | 0 | 0 | 106.1 | Q224 S228 | Q224-E226 VanDerWaalsContact C-N 3.3Å; Q224-E226 PolarHBondContact O-N 3.11Å; E226-S228 PolarHBondContact O-N 2.93Å; E226-S228 PolarHBondContact O-OG 3.39Å | ||
| 227 | L | 55.3 | Low | 57.4 | Low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 68% | 0.675 | S | S | * | * | trans | -65.9 | 74.8 | 167.1 | -72.7 | 171.9 | 0 | 0 | 0 | 105.2 | P225 F229 | P225-L227 PolarHBondContact O-N 3.38Å; L227-F229 WeakPolarHBondContact O-CD1 3.17Å; L227-F229 PolarHBondContact O-N 3.4Å | ||
| 228 | S | 45.3 | Very low | 55 | Low | 91 Ų | 91 | 139.8 Ų | 139.8 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -69.8 | 75.9 | 160.3 | 49.3 | 0 | 0 | 0 | 0 | 104.4 | E226 T230 | E226-S228 PolarHBondContact O-N 2.93Å; E226-S228 PolarHBondContact O-OG 3.39Å; S228-T230 PolarHBondContact O-N 3Å | ||
| 229 | F | 56.7 | Low | 52.5 | Low | 168 Ų | 168 | 140 Ų | 140 | 74% | 0.737 | 73% | 0.725 | S | S | * | * | trans | -63.4 | 98.9 | 153.4 | 53.8 | -87.8 | 0 | 0 | 0 | 104.4 | L227 V231 | L227-F229 WeakPolarHBondContact O-CD1 3.17Å; L227-F229 PolarHBondContact O-N 3.4Å; F229-V231 VanDerWaalsContact C-N 3.28Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.94Å; F229-V231 PolarHBondContact O-N 3.45Å | ||
| 230 | T | 58.4 | Low | 50.3 | Low | 121 Ų | 121 | 141.9 Ų | 141.9 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | trans | -61 | 104.5 | 159.8 | 33.5 | 0 | 0 | 0 | 0 | 104.8 | S228 T232 | S228-T230 PolarHBondContact O-N 3Å; T230-T232 PolarHBondContact O-N 3.38Å | ||
| 231 | V | 51.3 | Low | 48.5 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | trans | -60.9 | 95.7 | 162.8 | 179.5 | 0 | 0 | 0 | 0 | 104.5 | F229 V233 | F229-V231 VanDerWaalsContact C-N 3.28Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.94Å; F229-V231 PolarHBondContact O-N 3.45Å; V231-V233 PolarHBondContact O-N 3.48Å | ||
| 232 | T | 54.3 | Low | 47.6 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 74% | 0.736 | 75% | 0.748 | S | S | * | * | trans | -62.6 | 99 | 161.3 | 31.8 | 0 | 0 | 0 | 0 | 104.7 | T230 P234 | T230-T232 PolarHBondContact O-N 3.38Å; T232-P234 VanDerWaalsContact O-CD 3.28Å; T232-P234 WeakPolarHBondContact O-CD 3.44Å; T232-P234 VanDerWaalsContact O-N 3.08Å | ||
| 233 | V | 53 | Low | 47.2 | Very low | 120 Ų | 120 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -53.1 | 118.3 | 163.2 | 179 | 0 | 0 | 0 | 0 | 104.7 | V231 E235 | V231-V233 PolarHBondContact O-N 3.48Å; V233-E235 PolarHBondContact O-N 3.48Å | ||
| 234 | P | 43.6 | Very low | 46.7 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -57.3 | 121.3 | 178 | 19.9 | -29 | 0 | 0 | 0 | 107.4 | T232 K236 | T232-P234 VanDerWaalsContact O-CD 3.28Å; T232-P234 WeakPolarHBondContact O-CD 3.44Å; T232-P234 VanDerWaalsContact O-N 3.08Å; P234-K236 PolarHBondContact O-N 3.41Å | ||
| 235 | E | 50.7 | Low | 46.3 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | trans | -54.8 | 106.6 | 169.3 | -170.1 | -172.5 | 164.9 | 0 | 0 | 106.6 | V233 K237 | V233-E235 PolarHBondContact O-N 3.48Å; E235-K237 PolarHBondContact O-N 2.73Å | ||
| 236 | K | 37.7 | Very low | 45.7 | Very low | 191 Ų | 191 | 145.3 Ų | 145.3 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 92.3 | 177.1 | -164.9 | 178.5 | -175.3 | 178.3 | 0 | 106.9 | P234 K238 | P234-K236 PolarHBondContact O-N 3.41Å; K236-K238 PolarHBondContact O-N 3.23Å; K236-K238 VanDerWaalsContact O-N 3.14Å | ||
| 237 | K | 41.1 | Very low | 45.2 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 82% | 0.817 | 77% | 0.774 | S | S | * | * | trans | -33.8 | 116.6 | 162 | -131.5 | 178 | -176.6 | 178.6 | 0 | 108.6 | E235 P239 | E235-K237 PolarHBondContact O-N 2.73Å; K237-P239 VanDerWaalsContact O-CD 3.27Å; K237-P239 WeakPolarHBondContact O-CD 3.11Å | ||
| 238 | K | 44.8 | Very low | 44.4 | Very low | 203 Ų | 203 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 120.8 | 171.4 | -83.9 | 177.5 | 177.4 | 173 | 0 | 108.6 | K236 | K236-K238 PolarHBondContact O-N 3.23Å; K236-K238 VanDerWaalsContact O-N 3.14Å |
| 239 | P | 39.7 | Very low | 44.2 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73 | 154.9 | 165.9 | 25.1 | -22.5 | 0 | 0 | 0 | 110.7 | K237 | K237-P239 VanDerWaalsContact O-CD 3.27Å; K237-P239 WeakPolarHBondContact O-CD 3.11Å |
| 240 | P | 41.6 | Very low | 43 | Very low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 159.7 | -170.2 | 30.7 | -34.5 | 0 | 0 | 0 | 113 | ||
| 241 | S | 40.2 | Very low | 41.9 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 139.5 | -175 | 51 | 0 | 0 | 0 | 0 | 115.8 | ||
| 242 | P | 41 | Very low | 41.5 | Very low | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 133.8 | 164.6 | 30.6 | -30 | 0 | 0 | 0 | 111.5 | ||
| 243 | I | 45.3 | Very low | 40.8 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.2 | 169.2 | -65.4 | 167.7 | 0 | 0 | 0 | 109.1 | ||
| 244 | K | 37.8 | Very low | 39.8 | Very low | 194 Ų | 194 | 153.3 Ų | 153.3 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 151.5 | -172.6 | -56.2 | 169.7 | -179 | 176.6 | 0 | 114.1 | ||
| 245 | P | 35.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 81% | 0.805 | 82% | 0.823 | S | S | * | * | trans | -110.8 | 143.6 | 136.8 | 9.3 | 9.5 | 0 | 0 | 0 | 111.7 | ||||
| 246 | K | 38.6 | Very low | 39.1 | Very low | 207 Ų | 207 | 153.5 Ų | 153.5 | 90% | 0.9 | 82% | 0.822 | S | S | * | * | trans | -68.1 | 141.6 | 179.4 | -70 | 170.5 | 173.9 | 174.7 | 0 | 111.6 | ||||
| 247 | V | 38.1 | Very low | 39.3 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 82% | 0.823 | S | S | * | * | trans | -137.3 | 134.7 | 150.9 | -172.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 248 | P | 37.2 | Very low | 39.6 | Very low | 115 Ų | 115 | 149.8 Ų | 149.8 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | trans | -83 | 155.1 | 175.3 | 32.8 | -29.9 | 0 | 0 | 0 | 113 | ||||
| 249 | L | 41 | Very low | 39.7 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | -24.2 | 140.9 | 178.8 | -75.6 | 95.2 | 0 | 0 | 0 | 119.5 | ||||
| 250 | S | 31.3 | Very low | 40.4 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | -179.3 | 140.2 | 105.4 | 58.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 251 | A | 37 | Very low | 40.3 | Very low | 94 Ų | 94 | 154.9 Ų | 154.9 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -79.5 | -172 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 252 | P | 41.2 | Very low | 40.8 | Very low | 109 Ų | 109 | 161.2 Ų | 161.2 | 71% | 0.708 | 84% | 0.837 | S | S | * | * | cis | -141 | 167.6 | -3.2 | 37.3 | -16.2 | 0 | 0 | 0 | 117.7 | ||||
| 253 | R | 40 | Very low | 41 | Very low | 240 Ų | 240 | 163.3 Ų | 163.3 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | 47.9 | 130.3 | 143.7 | -67.7 | 175.6 | 179.7 | 177.2 | 0.4 | 122.1 | ||||
| 254 | K | 32.1 | Very low | 41.1 | Very low | 217 Ų | 217 | 165.1 Ų | 165.1 | 94% | 0.943 | 84% | 0.842 | S | S | * | * | -169 | 134.8 | 121.7 | -104.1 | 167.3 | -174 | -179.3 | 0 | 113 | |||||
| 255 | N | 41.1 | Very low | 41.4 | Very low | 160 Ų | 160 | 164.7 Ų | 164.7 | 86% | 0.856 | 84% | 0.841 | S | S | * | * | trans | -74.6 | 144.1 | 172.9 | -102 | -15.4 | 0 | 0 | 0 | 111.3 | ||||
| 256 | T | 37.6 | Very low | 42.4 | Very low | 139 Ų | 139 | 170.7 Ų | 170.7 | 85% | 0.853 | 85% | 0.847 | S | S | * | * | trans | -146.8 | 124.5 | 150.7 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 257 | N | 42.6 | Very low | 42.6 | Very low | 161 Ų | 161 | 170.5 Ų | 170.5 | 86% | 0.861 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 144.5 | 174.2 | -73.7 | -64.1 | 0 | 0 | 0 | 112.7 | ||
| 258 | T | 46.7 | Very low | 43.5 | Very low | 140 Ų | 140 | 171.4 Ų | 171.4 | 86% | 0.859 | 88% | 0.883 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 123.6 | 169.1 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 259 | V | 48.8 | Very low | 43.9 | Very low | 118 Ų | 118 | 174.2 Ų | 174.2 | 72% | 0.715 | 89% | 0.889 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 138.8 | 178.9 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | Y261 | V259-Y261 HydrophobicContact CG1-CD2 4.14Å; V259-Y261 HydrophobicContact CG1-CE2 3.72Å |
| 260 | K | 54 | Low | 44 | Very low | 204 Ų | 204 | 174.6 Ų | 174.6 | 89% | 0.887 | 89% | 0.89 | S | S | * | * | trans | -108.5 | 118.6 | -176.1 | -148.8 | 177 | -167.9 | 175 | 0 | 109.6 | ||||
| 261 | Y | 39.1 | Very low | 44.7 | Very low | 215 Ų | 215 | 177.7 Ų | 177.7 | 84% | 0.843 | 89% | 0.894 | S | S | * | * | trans | -99.7 | 137.9 | 172 | -78.3 | -88 | 0 | 0 | 0 | 111.1 | V259 | V259-Y261 HydrophobicContact CG1-CD2 4.14Å; V259-Y261 HydrophobicContact CG1-CE2 3.72Å | ||
| 262 | R | 51.6 | Low | 45.2 | Very low | 239 Ų | 239 | 182.6 Ų | 182.6 | 90% | 0.902 | 90% | 0.901 | S | S | * | * | trans | -112.9 | 130.1 | 171.6 | -97.4 | -166.7 | 166.7 | -175.9 | -2.7 | 109.7 | ||||
| 263 | L | 44.9 | Very low | 45.4 | Very low | 171 Ų | 171 | 187.3 Ų | 187.3 | 90% | 0.895 | 91% | 0.913 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 126.9 | 169.7 | -84.4 | 155.6 | 0 | 0 | 0 | 110.1 | ||
| 264 | K | 46.4 | Very low | 45.8 | Very low | 202 Ų | 202 | 183.7 Ų | 183.7 | 88% | 0.878 | 91% | 0.913 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 122 | 170.1 | -76.1 | -168.5 | 173.5 | -177 | 0 | 109.1 | ||
| 265 | F | 44.9 | Very low | 46.8 | Very low | 186 Ų | 186 | 181.4 Ų | 181.4 | 82% | 0.816 | 91% | 0.911 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 145.9 | 168.7 | -85.5 | -94.1 | 0 | 0 | 0 | 110.7 | ||
| 266 | R | 55.3 | Low | 47.2 | Very low | 249 Ų | 249 | 183 Ų | 183 | 94% | 0.94 | 92% | 0.915 | S | S | * | * | trans | -128 | 120.4 | 164.7 | -106.1 | -177.1 | 160.5 | 159 | -5.1 | 108.1 | ||||
| 267 | F | 43.5 | Very low | 48 | Very low | 204 Ų | 204 | 186.7 Ų | 186.7 | 90% | 0.895 | 92% | 0.921 | S | S | * | * | trans | -78 | 135.2 | 164.4 | -83.5 | -96.5 | 0 | 0 | 0 | 108.1 | ||||
| 268 | G | 58.2 | Low | 48.5 | Very low | 151 Ų | 151 | 189 Ų | 189 | 100% | 1.557 | 93% | 0.926 | S | S | * | * | trans | -85 | 0 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.2 |
Retrieved 268 of 268 residues in 159 ms
(Link to these results)