| 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 | 38.7 | Very low | 39 | Very low | 242 Ų | 242 | 155.3 Ų | 155.3 | 100% | 1.192 | 86% | 0.863 | S | S | * | * | 0 | 114.2 | 0 | -73 | -77.3 | 178.1 | 0 | 0 | 106.7 | |||||
| 2 | P | 44.9 | Very low | 39.1 | Very low | 129 Ų | 129 | 151.5 Ų | 151.5 | 84% | 0.838 | 87% | 0.867 | S | S | * | * | trans | -112.9 | 159.4 | -138.4 | 37.2 | -26.3 | 0 | 0 | 0 | 114.7 | ||||
| 3 | G | 35.6 | Very low | 38.8 | Very low | 62 Ų | 62 | 158.2 Ų | 158.2 | 64% | 0.639 | 87% | 0.869 | S | S | * | * | trans | 126.3 | 134.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 4 | W | 41.5 | Very low | 38.6 | Very low | 246 Ų | 246 | 154.8 Ų | 154.8 | 93% | 0.932 | 86% | 0.855 | S | S | * | * | trans | 92.4 | 140.1 | 155.6 | -60.3 | 8.2 | 0 | 0 | 0 | 117.2 | ||||
| 5 | R | 41.4 | Very low | 38.6 | Very low | 232 Ų | 232 | 156.1 Ų | 156.1 | 88% | 0.875 | 86% | 0.859 | S | S | * | * | cis | -173.4 | 148.5 | -27.6 | -120.7 | -179.5 | -177.8 | -164.8 | 2 | 104.3 | ||||
| 6 | L | 37.5 | Very low | 38.4 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 86% | 0.864 | 85% | 0.845 | S | S | * | * | trans | -66.8 | 166.4 | 177 | -86.6 | 117.6 | 0 | 0 | 0 | 114.9 | ||||
| 7 | L | 40 | Very low | 38.2 | Very low | 171 Ų | 171 | 150 Ų | 150 | 90% | 0.895 | 85% | 0.854 | S | S | * | * | trans | 123.9 | 140.1 | 152.1 | -70.4 | 160 | 0 | 0 | 0 | 112 | ||||
| 8 | A | 38.3 | Very low | 38.3 | Very low | 78 Ų | 78 | 146.2 Ų | 146.2 | 65% | 0.645 | 85% | 0.853 | S | S | * | * | cis | -175.4 | 174.1 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 9 | Q | 42.7 | Very low | 38.3 | Very low | 200 Ų | 200 | 144.2 Ų | 144.2 | 94% | 0.935 | 86% | 0.855 | S | S | * | * | trans | 99.5 | 126.2 | 149.9 | -70.4 | -177.4 | -7.5 | 0 | 0 | 120.6 | ||||
| 10 | A | 36.4 | Very low | 38 | Very low | 103 Ų | 103 | 149.7 Ų | 149.7 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | trans | -117.5 | 150.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 11 | G | 31.7 | Very low | 38 | Very low | 80 Ų | 80 | 146.3 Ų | 146.3 | 83% | 0.825 | 86% | 0.858 | S | S | * | * | trans | 95.7 | 117.6 | 145 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 12 | A | 40.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | -156.5 | 135.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 13 | R | 34.7 | Very low | 37.4 | Very low | 239 Ų | 239 | 141.5 Ų | 141.5 | 90% | 0.902 | 85% | 0.848 | S | S | * | * | trans | -130.3 | 146.9 | -176.5 | -126.2 | -169.8 | -174.8 | 178.8 | 2 | 106.8 | ||||
| 14 | V | 36.3 | Very low | 37.4 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 67% | 0.667 | 86% | 0.859 | S | S | * | * | trans | 96.5 | 137.6 | 138 | 174.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 15 | L | 38.4 | Very low | 37 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 86% | 0.855 | S | S | * | * | trans | 76.3 | 143 | 162.2 | -70.7 | 151.7 | 0 | 0 | 0 | 118.5 | ||||
| 16 | G | 36.2 | Very low | 37.1 | Very low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 85% | 0.853 | S | S | * | * | cis | 150.5 | 134.3 | 4.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 17 | C | 34.2 | Very low | 37 | Very low | 147 Ų | 147 | 130 Ų | 130 | 99% | 0.993 | 85% | 0.848 | S | S | * | * | trans | 48.7 | 136.5 | 156.8 | -66.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 18 | G | 40.5 | Very low | 36.7 | Very low | 82 Ų | 82 | 130 Ų | 130 | 85% | 0.845 | 85% | 0.847 | S | S | * | * | trans | 177.5 | 130 | 158.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 19 | A | 37.9 | Very low | 36.6 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 88% | 0.884 | 86% | 0.861 | S | S | * | * | trans | -96.7 | 176.7 | -163.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 20 | R | 33 | Very low | 36.1 | Very low | 255 Ų | 255 | 137.8 Ų | 137.8 | 96% | 0.962 | 86% | 0.86 | S | S | * | * | trans | -50.4 | 154.4 | -178.9 | -59.6 | 172.8 | -173.3 | -172.1 | 0.6 | 116.3 | ||||
| 21 | G | 36.4 | Very low | 36.1 | Very low | 78 Ų | 78 | 144.6 Ų | 144.6 | 80% | 0.804 | 86% | 0.864 | S | S | * | * | trans | 170.7 | 127.5 | 156 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 22 | L | 35.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 98% | 0.984 | 87% | 0.866 | S | S | * | * | trans | -74.8 | 159.1 | -175.2 | -65.8 | 141.2 | 0 | 0 | 0 | 113.7 | ||||
| 23 | G | 35.7 | Very low | 35.9 | Very low | 82 Ų | 82 | 152.3 Ų | 152.3 | 85% | 0.845 | 86% | 0.861 | S | S | * | * | trans | 162.1 | 132.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 24 | A | 36.4 | Very low | 35.8 | Very low | 105 Ų | 105 | 147.3 Ų | 147.3 | 87% | 0.868 | 85% | 0.851 | S | S | * | * | trans | -84.2 | 158.5 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 25 | D | 33.1 | Very low | 35.5 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 85% | 0.845 | 86% | 0.857 | S | S | * | * | trans | -47.2 | 176.4 | 157.2 | -99.8 | -32.1 | 0 | 0 | 0 | 114.2 | ||||
| 26 | P | 42.3 | Very low | 35.1 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 83% | 0.831 | 85% | 0.851 | S | S | * | * | cis | -142.1 | 174.2 | 17.9 | 31.5 | -7.6 | 0 | 0 | 0 | 116.1 | ||||
| 27 | G | 36.7 | Very low | 34.8 | Very low | 74 Ų | 74 | 154.6 Ų | 154.6 | 76% | 0.763 | 86% | 0.856 | S | S | * | * | trans | -179.1 | 79.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 28 | L | 32.6 | Very low | 34.9 | Very low | 169 Ų | 169 | 152.9 Ų | 152.9 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | trans | 10.6 | 108.7 | 147.5 | -160.2 | 84.2 | 0 | 0 | 0 | 119.1 | ||||
| 29 | E | 36.5 | Very low | 34.5 | Very low | 199 Ų | 199 | 158.4 Ų | 158.4 | 93% | 0.93 | 84% | 0.836 | S | S | * | * | trans | -152.2 | 129.4 | 138.7 | -90.8 | -144.6 | 147.6 | 0 | 0 | 111.6 | ||||
| 30 | R | 33.4 | Very low | 34.3 | Very low | 243 Ų | 243 | 159.1 Ų | 159.1 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | -122.2 | 96.8 | -173.8 | -162.8 | -170.6 | -151.9 | -159 | 8.7 | 107.4 | ||||
| 31 | R | 36.1 | Very low | 34.5 | Very low | 246 Ų | 246 | 153.7 Ų | 153.7 | 93% | 0.928 | 81% | 0.814 | S | S | * | * | trans | -138.3 | 127.5 | 161.8 | -81.2 | -166.1 | 175 | -172.2 | -0 | 112 | ||||
| 32 | K | 32.6 | Very low | 35.2 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -59.9 | 133.6 | -176.1 | -59.4 | 165.8 | 177 | 176.9 | 0 | 110.3 | ||||
| 33 | N | 34.7 | Very low | 36.1 | Very low | 151 Ų | 151 | 152 Ų | 152 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | -150.7 | 110.3 | 152.4 | -92 | -26.9 | 0 | 0 | 0 | 109.7 | ||||
| 34 | I | 34 | Very low | 38.2 | Very low | 135 Ų | 135 | 157.2 Ų | 157.2 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | 33.6 | 97.6 | 144.1 | -57.1 | 166.5 | 0 | 0 | 0 | 114.8 | F36 | I34-F36 HydrophobicContact CG2-CD2 3.96Å; I34-F36 HydrophobicContact CG2-CE2 4.06Å; I34-F36 PolarHBondContact O-N 3Å | ||
| 35 | L | 29.8 | Very low | 40.6 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -62.7 | 100.1 | 161.3 | -94.9 | 107.2 | 0 | 0 | 0 | 109.1 | F37 | L35-F37 HydrophobicContact CD2-CD2 4.14Å; L35-F37 HydrophobicContact CD2-CE2 4.09Å; L35-F37 PolarHBondContact O-N 3.21Å | ||
| 36 | F | 29.6 | Very low | 43.3 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | trans | -69.9 | 101.9 | 151.8 | -92.2 | -91.4 | 0 | 0 | 0 | 107.7 | I34 V38 | I34-F36 HydrophobicContact CG2-CD2 3.96Å; I34-F36 HydrophobicContact CG2-CE2 4.06Å; I34-F36 PolarHBondContact O-N 3Å; F36-V38 PolarHBondContact O-N 2.86Å | ||
| 37 | F | 30.1 | Very low | 45.7 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 75% | 0.746 | 76% | 0.759 | S | S | * | * | trans | -69.2 | 83.2 | 164.9 | -117.7 | -86.8 | 0 | 0 | 0 | 108.1 | L35 R39 | L35-F37 HydrophobicContact CD2-CD2 4.14Å; L35-F37 HydrophobicContact CD2-CE2 4.09Å; L35-F37 PolarHBondContact O-N 3.21Å; F37-R39 HydrophobicContact CD1-CG 4.37Å; F37-R39 PolarHBondContact O-N 2.98Å | ||
| 38 | V | 34.8 | Very low | 48.3 | Very low | 111 Ų | 111 | 155.9 Ų | 155.9 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | trans | -70.2 | 91.8 | 158.9 | 179.1 | 0 | 0 | 0 | 0 | 105.5 | F36 N40 | F36-V38 PolarHBondContact O-N 2.86Å; V38-N40 VanDerWaalsContact C-N 3.26Å; V38-N40 PolarHBondContact O-N 2.89Å | ||
| 39 | R | 32.2 | Very low | 51.2 | Low | 197 Ų | 197 | 150.5 Ų | 150.5 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | trans | -61.5 | 97.2 | 164.4 | -93.7 | -178.1 | 168.2 | 168.6 | -3.5 | 107 | F37 L41 | F37-R39 HydrophobicContact CD1-CG 4.37Å; F37-R39 PolarHBondContact O-N 2.98Å; R39-L41 HydrophobicContact CB-CD1 4.31Å; R39-L41 PolarHBondContact O-N 2.8Å | ||
| 40 | N | 34.8 | Very low | 53.9 | Low | 123 Ų | 123 | 143.7 Ų | 143.7 | 66% | 0.658 | 69% | 0.689 | S | S | * | * | trans | -60.6 | 78.9 | 153.8 | -91.1 | -26.1 | 0 | 0 | 0 | 108 | V38 H42 | V38-N40 VanDerWaalsContact C-N 3.26Å; V38-N40 PolarHBondContact O-N 2.89Å; N40-H42 WeakPolarHBondContact CB-ND1 3.42Å; N40-H42 PolarHBondContact O-N 3.24Å; N40-H42 PolarHBondContact OD1-CE1 3.17Å; N40-H42 PolarHBondContact OD1-ND1 3.3Å | ||
| 41 | L | 37.2 | Very low | 56.8 | Low | 140 Ų | 140 | 135.3 Ų | 135.3 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -73 | 66.6 | 166.2 | -105.2 | 144.9 | 0 | 0 | 0 | 108 | R39 S43 | R39-L41 HydrophobicContact CB-CD1 4.31Å; R39-L41 PolarHBondContact O-N 2.8Å; L41-S43 PolarHBondContact O-N 2.91Å; L41-S43 VanDerWaalsContact O-N 3.12Å | ||
| 42 | H | 50.9 | Low | 59.6 | Low | 135 Ų | 135 | 130.6 Ų | 130.6 | 63% | 0.625 | 65% | 0.648 | S | S | * | * | trans | -82.9 | 41.7 | 171.2 | -77 | 77.9 | 0 | 0 | 0 | 110.8 | N40 K44 | N40-H42 WeakPolarHBondContact CB-ND1 3.42Å; N40-H42 PolarHBondContact O-N 3.24Å; N40-H42 PolarHBondContact OD1-CE1 3.17Å; N40-H42 PolarHBondContact OD1-ND1 3.3Å; H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.33Å | ||
| 43 | S | 55.8 | Low | 62.5 | Low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | trans | -89.1 | 76.1 | 163.7 | 168.2 | 0 | 0 | 0 | 0 | 107.1 | L41 S45 | L41-S43 PolarHBondContact O-N 2.91Å; L41-S43 VanDerWaalsContact O-N 3.12Å; S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.38Å | ||
| 44 | K | 78 | Confident | 65.4 | Low | 191 Ų | 191 | 119.1 Ų | 119.1 | 83% | 0.83 | 60% | 0.6 | S | S | * | * | trans | -68 | 91.7 | 174.6 | -66.9 | -176.1 | -179.5 | -178.2 | 0 | 108.3 | H42 | H42-K44 VanDerWaalsContact C-N 3.31Å; H42-K44 PolarHBondContact O-N 3.33Å | ||
| 45 | S | 86.7 | Confident | 68.2 | Low | 88 Ų | 88 | 121.2 Ų | 121.2 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | trans | -63.5 | 140 | 170.2 | -170 | 0 | 0 | 0 | 0 | 109 | S43 T47 | S43-S45 VanDerWaalsContact C-N 3.3Å; S43-S45 PolarHBondContact O-N 3.38Å; S45-T47 PolarHBondContact O-N 2.8Å | ||
| 46 | S | 90.9 | Very high | 71.3 | Confident | 98 Ų | 98 | 121.5 Ų | 121.5 | 69% | 0.685 | 60% | 0.604 | S | S | * | * | trans | -67.1 | 128.8 | 168.3 | 54.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 47 | T | 91.5 | Very high | 74.4 | Confident | 98 Ų | 98 | 116.9 Ų | 116.9 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | trans | -111.5 | 159.2 | 175.7 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | S45 E51 | S45-T47 PolarHBondContact O-N 2.8Å; T47-E51 WeakPolarHBondContact CA-OE2 3.46Å; T47-E51 WeakPolarHBondContact CB-OE2 3.42Å | ||
| 48 | W | 92.6 | Very high | 77.5 | Confident | 153 Ų | 153 | 111.1 Ų | 111.1 | 58% | 0.58 | 57% | 0.565 | S | S | * | * | trans | -127.1 | 161.6 | 169 | 55.6 | 80.6 | 0 | 0 | 0 | 110.7 | D50 E51 | W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.24Å; W48-D50 VanDerWaalsContact O-N 3.15Å; W48-E51 HydrophobicContact CD2-CB 4.23Å; W48-E51 HydrophobicContact CD2-CG 4.5Å; W48-E51 HydrophobicContact CG-CB 4.24Å; W48-E51 HydrophobicContact CH2-CG 4.48Å; W48-E51 HydrophobicContact CZ2-CB 4.34Å; W48-E51 HydrophobicContact CZ2-CG 3.92Å; W48-E51 PolarHBondContact N-OE2 3.45Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 PolarHBondContact O-N 3.36Å | ||
| 49 | W | 93.7 | Very high | 80.3 | Confident | 57 Ų | 57 | 109.3 Ų | 109.3 | 22% | 0.216 | 56% | 0.557 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -61.9 | -29.4 | -163.7 | 74.7 | -79.6 | 0 | 0 | 0 | 114.8 | L53 V61 K62 F155 | W49-L53 HydrophobicContact CE3-CD1 3.92Å; W49-L53 HydrophobicContact CZ3-CD1 3.7Å; W49-V61 HydrophobicContact CE3-CG1 4.39Å; W49-V61 HydrophobicContact CZ3-CG1 3.95Å; W49-K62 HydrophobicContact CH2-CG 4.05Å; W49-F155 HydrophobicContact CB-CB 3.99Å; W49-F155 HydrophobicContact CB-CD1 3.81Å; W49-F155 HydrophobicContact CB-CG 4.06Å; W49-F155 AromaticContact CD1-CG 3.96Å; W49-F155 HydrophobicContact CD2-CB 4.14Å; W49-F155 AromaticContact CD2-CD1 3.86Å; W49-F155 HydrophobicContact CD2-CD1 3.86Å; W49-F155 AromaticContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.11Å; W49-F155 AromaticContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CZ 4.29Å; W49-F155 AromaticContact CE2-CD2 3.86Å; W49-F155 HydrophobicContact CE3-CD1 4.01Å; W49-F155 HydrophobicContact CE3-CD2 4.14Å; W49-F155 AromaticContact CE3-CE1 3.83Å; W49-F155 HydrophobicContact CE3-CE1 3.83Å; W49-F155 AromaticContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CG 4.17Å; W49-F155 AromaticContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CG-CB 3.57Å; W49-F155 AromaticContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD2 4.15Å; W49-F155 HydrophobicContact CG-CE1 4.49Å; W49-F155 AromaticContact CG-CG 3.57Å; W49-F155 HydrophobicContact CG-CG 3.57Å; W49-F155 HydrophobicContact CH2-CE2 4.28Å; W49-F155 HydrophobicContact CZ2-CD2 4.3Å; W49-F155 HydrophobicContact CZ2-CE2 4.39Å; W49-F155 HydrophobicContact CZ3-CE1 4.48Å; W49-F155 HydrophobicContact CZ3-CE2 4.08Å; W49-F155 HydrophobicContact CZ3-CZ 4.04Å |
| 50 | D | 93.5 | Very high | 83.4 | Confident | 56 Ų | 56 | 105.9 Ų | 105.9 | 30% | 0.299 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.4 | -179 | 55 | -26.4 | 0 | 0 | 0 | 114.7 | W48 H52 L53 L58 | W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.24Å; W48-D50 VanDerWaalsContact O-N 3.15Å; D50-H52 VanDerWaalsContact C-N 3.33Å; D50-H52 PolarHBondContact O-N 3.18Å; D50-L53 HydrophobicContact CB-CD1 4.32Å; D50-L58 HydrophobicContact CB-CD1 4.38Å |
| 51 | E | 93.9 | Very high | 86.3 | Confident | 66 Ų | 66 | 101.5 Ų | 101.5 | 31% | 0.308 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -34.4 | -176.7 | -169.2 | -179 | 162.8 | 0 | 0 | 114 | T47 W48 | T47-E51 WeakPolarHBondContact CA-OE2 3.46Å; T47-E51 WeakPolarHBondContact CB-OE2 3.42Å; W48-E51 HydrophobicContact CD2-CB 4.23Å; W48-E51 HydrophobicContact CD2-CG 4.5Å; W48-E51 HydrophobicContact CG-CB 4.24Å; W48-E51 HydrophobicContact CH2-CG 4.48Å; W48-E51 HydrophobicContact CZ2-CB 4.34Å; W48-E51 HydrophobicContact CZ2-CG 3.92Å; W48-E51 PolarHBondContact N-OE2 3.45Å; W48-E51 WeakPolarHBondContact O-CB 3.41Å; W48-E51 PolarHBondContact O-N 3.36Å |
| 52 | H | 93.9 | Very high | 89.1 | Confident | 147 Ų | 147 | 100 Ų | 100 | 68% | 0.681 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | 13.3 | -173.2 | -54 | -42 | 0 | 0 | 0 | 113.2 | D50 | D50-H52 VanDerWaalsContact C-N 3.33Å; D50-H52 PolarHBondContact O-N 3.18Å |
| 53 | L | 94.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 29% | 0.293 | 51% | 0.511 | S | S | . | . | trans | -90.6 | 137.3 | 179.8 | -63.5 | 179.4 | 0 | 0 | 0 | 110.7 | W49 D50 N57 L58 V61 | W49-L53 HydrophobicContact CE3-CD1 3.92Å; W49-L53 HydrophobicContact CZ3-CD1 3.7Å; D50-L53 HydrophobicContact CB-CD1 4.32Å; L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.24Å; L53-L58 HydrophobicContact CB-CB 4.46Å; L53-V61 HydrophobicContact CD1-CG2 4.37Å | ||
| 54 | S | 94.7 | Very high | 93.2 | Very high | 55 Ų | 55 | 99.6 Ų | 99.6 | 39% | 0.385 | 50% | 0.503 | S | S | . | . | trans | -68.5 | 162.4 | 164.4 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | E56 N57 L58 | S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; S54-N57 PolarHBondContact O-N 3.41Å; S54-N57 VanDerWaalsContact O-N 3.17Å; S54-N57 WeakPolarHBondContact OG-CB 3.41Å; S54-N57 PolarHBondContact OG-N 3.38Å; S54-N57 PolarHBondContact OG-ND2 2.88Å; S54-L58 WeakPolarHBondContact O-CB 3.25Å; S54-L58 PolarHBondContact O-N 3.12Å | ||
| 55 | E | 93.4 | Very high | 94.1 | Very high | 180 Ų | 180 | 91.4 Ų | 91.4 | 84% | 0.841 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.4 | -41.2 | 177.8 | -63.8 | -174 | 173.5 | 0 | 0 | 112.2 | L58 S59 | E55-L58 PolarHBondContact O-N 3.2Å; E55-S59 PolarHBondContact O-N 3.34Å |
| 56 | E | 94.1 | Very high | 94.5 | Very high | 156 Ų | 156 | 89.8 Ų | 89.8 | 73% | 0.729 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.1 | -51 | 174.8 | -63.8 | 175.1 | -177.9 | 0 | 0 | 111 | S54 L58 S59 F60 | S54-E56 VanDerWaalsContact C-N 3.27Å; S54-E56 PolarHBondContact O-N 2.87Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.86Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 3.34Å; E56-F60 PolarHBondContact O-N 3.44Å |
| 57 | N | 95.8 | Very high | 94.8 | Very high | 81 Ų | 81 | 88.1 Ų | 88.1 | 43% | 0.433 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | -178.3 | -71.4 | -14.6 | 0 | 0 | 0 | 112.7 | L53 S54 S59 F60 V61 | L53-N57 HydrophobicContact CB-CB 4.42Å; L53-N57 HydrophobicContact CD2-CB 4.24Å; S54-N57 PolarHBondContact O-N 3.41Å; S54-N57 VanDerWaalsContact O-N 3.17Å; S54-N57 WeakPolarHBondContact OG-CB 3.41Å; S54-N57 PolarHBondContact OG-N 3.38Å; S54-N57 PolarHBondContact OG-ND2 2.88Å; N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 3.36Å; N57-F60 PolarHBondContact O-N 3.28Å; N57-V61 WeakPolarHBondContact O-CB 3.15Å; N57-V61 VanDerWaalsContact O-CG2 3.25Å; N57-V61 WeakPolarHBondContact O-CG2 3.33Å; N57-V61 PolarHBondContact O-N 3.1Å |
| 58 | L | 94.8 | Very high | 95 | Very high | 50 Ų | 50 | 87.1 Ų | 87.1 | 26% | 0.262 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62 | -42.6 | 178.6 | 177.1 | 154.9 | 0 | 0 | 0 | 111.5 | D50 L53 S54 E55 E56 K62 | D50-L58 HydrophobicContact CB-CD1 4.38Å; L53-L58 HydrophobicContact CB-CB 4.46Å; S54-L58 WeakPolarHBondContact O-CB 3.25Å; S54-L58 PolarHBondContact O-N 3.12Å; E55-L58 PolarHBondContact O-N 3.2Å; E56-L58 VanDerWaalsContact C-N 3.34Å; E56-L58 PolarHBondContact O-N 2.86Å; L58-K62 HydrophobicContact CD2-CD 3.99Å; L58-K62 VanDerWaalsContact CD2-NZ 3.35Å; L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 2.88Å |
| 59 | S | 94.1 | Very high | 95.2 | Very high | 72 Ų | 72 | 81.2 Ų | 81.2 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 176.5 | 73.5 | 0 | 0 | 0 | 0 | 111.6 | E55 E56 N57 K62 Q63 | E55-S59 PolarHBondContact O-N 3.34Å; E56-S59 PolarHBondContact O-N 3.17Å; E56-S59 PolarHBondContact O-OG 3.34Å; N57-S59 VanDerWaalsContact C-N 3.34Å; N57-S59 PolarHBondContact O-N 3.36Å; S59-K62 PolarHBondContact O-N 3.45Å; S59-Q63 PolarHBondContact O-N 3.15Å; S59-Q63 VanDerWaalsContact O-N 3.1Å |
| 60 | F | 96.5 | Very high | 95.3 | Very high | 125 Ų | 125 | 84 Ų | 84 | 55% | 0.548 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 178.9 | 174.2 | -102.8 | 0 | 0 | 0 | 112.4 | E56 N57 K62 Q63 L64 | E56-F60 PolarHBondContact O-N 3.44Å; N57-F60 PolarHBondContact O-N 3.28Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.41Å; F60-Q63 PolarHBondContact O-N 3.46Å; F60-L64 HydrophobicContact CE1-CD2 4.27Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.49Å |
| 61 | V | 96.3 | Very high | 95.4 | Very high | 31 Ų | 31 | 86 Ų | 86 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.1 | -40.1 | -179.4 | 169.8 | 0 | 0 | 0 | 0 | 111.4 | W49 L53 N57 L64 V65 F155 | W49-V61 HydrophobicContact CE3-CG1 4.39Å; W49-V61 HydrophobicContact CZ3-CG1 3.95Å; L53-V61 HydrophobicContact CD1-CG2 4.37Å; N57-V61 WeakPolarHBondContact O-CB 3.15Å; N57-V61 VanDerWaalsContact O-CG2 3.25Å; N57-V61 WeakPolarHBondContact O-CG2 3.33Å; N57-V61 PolarHBondContact O-N 3.1Å; V61-L64 PolarHBondContact O-N 3.24Å; V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 3.31Å; V61-F155 HydrophobicContact CG1-CE1 4.32Å; V61-F155 HydrophobicContact CG1-CZ 3.84Å |
| 62 | K | 94.9 | Very high | 95.5 | Very high | 108 Ų | 108 | 84.6 Ų | 84.6 | 47% | 0.47 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 176.4 | -75.4 | 177.4 | -176.5 | 176.8 | 0 | 111.8 | W49 L58 S59 F60 S66 | W49-K62 HydrophobicContact CH2-CG 4.05Å; L58-K62 HydrophobicContact CD2-CD 3.99Å; L58-K62 VanDerWaalsContact CD2-NZ 3.35Å; L58-K62 WeakPolarHBondContact O-CG 3.38Å; L58-K62 PolarHBondContact O-N 2.88Å; S59-K62 PolarHBondContact O-N 3.45Å; F60-K62 VanDerWaalsContact C-N 3.33Å; F60-K62 PolarHBondContact O-N 3.41Å; K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 3.02Å |
| 63 | Q | 96.2 | Very high | 95.5 | Very high | 127 Ų | 127 | 79.2 Ų | 79.2 | 59% | 0.593 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.5 | -47.1 | 178.1 | -174.3 | 171.6 | -5.8 | 0 | 0 | 111.3 | S59 F60 V65 S66 D67 | S59-Q63 PolarHBondContact O-N 3.15Å; S59-Q63 VanDerWaalsContact O-N 3.1Å; F60-Q63 PolarHBondContact O-N 3.46Å; Q63-V65 PolarHBondContact O-N 3.09Å; Q63-S66 WeakPolarHBondContact O-CB 3.35Å; Q63-S66 PolarHBondContact O-N 3.36Å; Q63-S66 VanDerWaalsContact O-N 3.09Å; Q63-D67 PolarHBondContact O-N 2.93Å |
| 64 | L | 97.2 | Very high | 95.4 | Very high | 96 Ų | 96 | 80.8 Ų | 80.8 | 50% | 0.503 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -54.2 | -49.6 | 177.4 | -176.8 | 70.3 | 0 | 0 | 0 | 111.9 | F60 V61 S66 D67 E68 | F60-L64 HydrophobicContact CE1-CD2 4.27Å; F60-L64 WeakPolarHBondContact O-CB 3.32Å; F60-L64 PolarHBondContact O-N 3.49Å; V61-L64 PolarHBondContact O-N 3.24Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; L64-D67 PolarHBondContact O-N 3.04Å; L64-E68 WeakPolarHBondContact O-CB 3.41Å; L64-E68 PolarHBondContact O-N 3.48Å |
| 65 | V | 95.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 81.9 Ų | 81.9 | 12% | 0.121 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -67.3 | -35.7 | 179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | V61 Q63 N69 R154 F155 | V61-V65 WeakPolarHBondContact O-CG2 3.34Å; V61-V65 PolarHBondContact O-N 3.31Å; Q63-V65 PolarHBondContact O-N 3.09Å; V65-N69 WeakPolarHBondContact O-CB 3.42Å; V65-N69 PolarHBondContact O-N 3.06Å; V65-N69 PolarHBondContact O-ND2 3.09Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; V65-R154 HydrophobicContact CG1-CG 4.18Å; V65-F155 HydrophobicContact CB-CZ 4.42Å; V65-F155 HydrophobicContact CG2-CE1 4.41Å; V65-F155 HydrophobicContact CG2-CZ 3.75Å |
| 66 | S | 95.3 | Very high | 95.4 | Very high | 53 Ų | 53 | 75.5 Ų | 75.5 | 37% | 0.371 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.9 | -46 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 111.3 | K62 Q63 L64 N69 K70 | K62-S66 WeakPolarHBondContact O-CB 3.4Å; K62-S66 PolarHBondContact O-N 3.02Å; Q63-S66 WeakPolarHBondContact O-CB 3.35Å; Q63-S66 PolarHBondContact O-N 3.36Å; Q63-S66 VanDerWaalsContact O-N 3.09Å; L64-S66 VanDerWaalsContact C-N 3.34Å; L64-S66 PolarHBondContact O-N 3.37Å; S66-N69 PolarHBondContact O-N 3.19Å; S66-K70 WeakPolarHBondContact O-CG 3.39Å; S66-K70 PolarHBondContact O-N 3.08Å |
| 67 | D | 97.4 | Very high | 95.2 | Very high | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -70.9 | -40.3 | -178.6 | -65 | -23.6 | 0 | 0 | 0 | 111.5 | Q63 L64 N69 K70 T71 | Q63-D67 PolarHBondContact O-N 2.93Å; L64-D67 PolarHBondContact O-N 3.04Å; D67-N69 VanDerWaalsContact C-N 3.33Å; D67-N69 PolarHBondContact O-N 2.91Å; D67-K70 PolarHBondContact O-N 3.17Å; D67-K70 IonicContact OD1-NZ 3.74Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; D67-T71 PolarHBondContact O-N 3.4Å; D67-T71 PolarHBondContact O-OG1 3.09Å; D67-T71 VanDerWaalsContact O-OG1 3.09Å |
| 68 | E | 96.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -57.8 | -44.4 | 171.4 | -168.5 | -159.1 | 144.2 | 0 | 0 | 111.7 | L64 K70 T71 Q72 R154 | L64-E68 WeakPolarHBondContact O-CB 3.41Å; L64-E68 PolarHBondContact O-N 3.48Å; E68-K70 PolarHBondContact O-N 3.35Å; E68-T71 PolarHBondContact O-N 2.8Å; E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 2.69Å; E68-Q72 PolarHBondContact OE1-NE2 2.89Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 2.89Å; E68-R154 PolarHBondContact OE1-NH1 2.72Å; E68-R154 IonicContact OE1-NH2 3.24Å; E68-R154 PolarHBondContact OE1-NH2 2.8Å; E68-R154 IonicContact OE2-CZ 3.74Å; E68-R154 IonicContact OE2-NH1 2.86Å; E68-R154 PolarHBondContact OE2-NH1 2.89Å; E68-R154 IonicContact OE2-NH2 3.22Å |
| 69 | N | 95.8 | Very high | 94.7 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 16% | 0.155 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -42.7 | 176.9 | -70.6 | -27.2 | 0 | 0 | 0 | 111.5 | V65 S66 D67 Q72 L73 R154 P171 | V65-N69 WeakPolarHBondContact O-CB 3.42Å; V65-N69 PolarHBondContact O-N 3.06Å; V65-N69 PolarHBondContact O-ND2 3.09Å; V65-N69 VanDerWaalsContact O-ND2 3.09Å; S66-N69 PolarHBondContact O-N 3.19Å; D67-N69 VanDerWaalsContact C-N 3.33Å; D67-N69 PolarHBondContact O-N 2.91Å; N69-Q72 PolarHBondContact O-N 3.46Å; N69-L73 WeakPolarHBondContact O-CB 3.35Å; N69-L73 VanDerWaalsContact O-CG 3.26Å; N69-L73 WeakPolarHBondContact O-CG 3.44Å; N69-L73 PolarHBondContact O-N 3.4Å; N69-R154 PolarHBondContact OD1-NH2 3.2Å; N69-P171 HydrophobicContact CB-CB 4.4Å; N69-P171 WeakPolarHBondContact OD1-CB 3.37Å |
| 70 | K | 95.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 68.1 Ų | 68.1 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -47.9 | 177.2 | -68.8 | 170.8 | -162 | 156.9 | 0 | 110.3 | S66 D67 E68 Q72 L73 T74 | S66-K70 WeakPolarHBondContact O-CG 3.39Å; S66-K70 PolarHBondContact O-N 3.08Å; D67-K70 PolarHBondContact O-N 3.17Å; D67-K70 IonicContact OD1-NZ 3.74Å; D67-K70 PolarHBondContact OD1-NZ 2.73Å; E68-K70 PolarHBondContact O-N 3.35Å; K70-Q72 VanDerWaalsContact C-N 3.34Å; K70-Q72 PolarHBondContact O-N 2.9Å; K70-L73 PolarHBondContact O-N 3.16Å; K70-T74 WeakPolarHBondContact O-CB 3.18Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.35Å |
| 71 | T | 96.3 | Very high | 94.1 | Very high | 99 Ų | 99 | 70.2 Ų | 70.2 | 61% | 0.607 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.8 | D67 E68 T74 S75 | D67-T71 PolarHBondContact O-N 3.4Å; D67-T71 PolarHBondContact O-OG1 3.09Å; D67-T71 VanDerWaalsContact O-OG1 3.09Å; E68-T71 PolarHBondContact O-N 2.8Å; T71-T74 PolarHBondContact O-N 2.83Å; T71-S75 WeakPolarHBondContact O-CB 3.49Å; T71-S75 PolarHBondContact O-N 3.41Å |
| 72 | Q | 94.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 72 Ų | 72 | 17% | 0.168 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.6 | -47.7 | 175.8 | -78 | 170.8 | -5.4 | 0 | 0 | 111.7 | E68 N69 K70 S75 K76 | E68-Q72 WeakPolarHBondContact O-CB 3.37Å; E68-Q72 WeakPolarHBondContact O-CG 3.26Å; E68-Q72 PolarHBondContact O-N 2.69Å; E68-Q72 PolarHBondContact OE1-NE2 2.89Å; N69-Q72 PolarHBondContact O-N 3.46Å; K70-Q72 VanDerWaalsContact C-N 3.34Å; K70-Q72 PolarHBondContact O-N 2.9Å; Q72-S75 PolarHBondContact O-N 3.36Å; Q72-S75 PolarHBondContact O-OG 3.04Å; Q72-K76 PolarHBondContact O-N 2.99Å |
| 73 | L | 94.2 | Very high | 93.4 | Very high | 34 Ų | 34 | 74.2 Ų | 74.2 | 18% | 0.178 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.9 | -46 | 178.9 | -68.7 | 172.3 | 0 | 0 | 0 | 111.9 | N69 K70 S75 K76 L170 P171 | N69-L73 WeakPolarHBondContact O-CB 3.35Å; N69-L73 VanDerWaalsContact O-CG 3.26Å; N69-L73 WeakPolarHBondContact O-CG 3.44Å; N69-L73 PolarHBondContact O-N 3.4Å; K70-L73 PolarHBondContact O-N 3.16Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.47Å; L73-K76 PolarHBondContact O-N 3.36Å; L73-K76 VanDerWaalsContact O-N 3.15Å; L73-L170 HydrophobicContact CD2-CD2 4.29Å; L73-P171 HydrophobicContact CD1-CG 4.37Å; L73-P171 HydrophobicContact CD2-CG 3.83Å; L73-P171 HydrophobicContact CG-CG 4Å |
| 74 | T | 94.2 | Very high | 93 | Very high | 90 Ų | 90 | 71.3 Ų | 71.3 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -61 | -37.5 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | K70 T71 K76 L77 | K70-T74 WeakPolarHBondContact O-CB 3.18Å; K70-T74 PolarHBondContact O-N 3.42Å; K70-T74 PolarHBondContact O-OG1 3.35Å; T71-T74 PolarHBondContact O-N 2.83Å; T74-K76 PolarHBondContact O-N 2.93Å; T74-L77 HydrophobicContact CG2-CD1 4.23Å; T74-L77 PolarHBondContact O-N 3.37Å |
| 75 | S | 93.6 | Very high | 92.8 | Very high | 78 Ų | 78 | 71.6 Ų | 71.6 | 55% | 0.545 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.1 | -25.4 | 178.3 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | T71 Q72 L73 | T71-S75 WeakPolarHBondContact O-CB 3.49Å; T71-S75 PolarHBondContact O-N 3.41Å; Q72-S75 PolarHBondContact O-N 3.36Å; Q72-S75 PolarHBondContact O-OG 3.04Å; L73-S75 VanDerWaalsContact C-N 3.28Å; L73-S75 PolarHBondContact O-N 3.47Å |
| 76 | K | 92.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 75.5 Ų | 75.5 | 20% | 0.196 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.2 | -177.5 | -63.7 | -59.2 | -177.7 | -175 | 0 | 114.1 | Q72 L73 T74 N78 D82 L170 P192 | Q72-K76 PolarHBondContact O-N 2.99Å; L73-K76 PolarHBondContact O-N 3.36Å; L73-K76 VanDerWaalsContact O-N 3.15Å; T74-K76 PolarHBondContact O-N 2.93Å; K76-N78 PolarHBondContact O-N 3.4Å; K76-D82 IonicContact NZ-OD2 3.48Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.84Å; K76-L170 HydrophobicContact CG-CG 4.41Å; K76-P192 WeakPolarHBondContact O-CD 3.39Å; K76-P192 WeakPolarHBondContact O-CG 3Å |
| 77 | L | 91.1 | Very high | 92.5 | Very high | 73 Ų | 73 | 77.6 Ų | 77.6 | 38% | 0.382 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -63.7 | -28.2 | -177.2 | -71.5 | 175 | 0 | 0 | 0 | 113.8 | T74 P79 Y194 | T74-L77 HydrophobicContact CG2-CD1 4.23Å; T74-L77 PolarHBondContact O-N 3.37Å; L77-P79 WeakPolarHBondContact O-CD 3.43Å; L77-Y194 WeakPolarHBondContact CD2-OH 3.42Å |
| 78 | N | 89.7 | Confident | 92.3 | Very high | 73 Ų | 73 | 79 Ų | 79 | 39% | 0.39 | 41% | 0.41 | S | S | . | . | trans | -106.9 | 67.4 | -172.9 | -63.2 | -41.4 | 0 | 0 | 0 | 114 | K76 L80 K81 D322 | K76-N78 PolarHBondContact O-N 3.4Å; N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.84Å; N78-K81 HydrophobicContact CB-CD 4.31Å; N78-K81 PolarHBondContact O-N 3.02Å; N78-D322 WeakPolarHBondContact CA-OD2 3.37Å; N78-D322 PolarHBondContact OD1-OD1 3.45Å | ||
| 79 | P | 90 | Very high | 92.2 | Very high | 13 Ų | 13 | 80 Ų | 80 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -26.6 | -172 | 27.8 | -38.1 | 0 | 0 | 0 | 114.7 | L77 K81 D82 T191 P192 F320 D322 | L77-P79 WeakPolarHBondContact O-CD 3.43Å; P79-K81 VanDerWaalsContact C-N 3.29Å; P79-K81 PolarHBondContact O-N 3.22Å; P79-D82 PolarHBondContact O-N 3.42Å; P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.1Å; P79-P192 HydrophobicContact CG-CG 4.26Å; P79-F320 HydrophobicContact CB-CE1 4.46Å; P79-F320 HydrophobicContact CG-CD1 3.8Å; P79-F320 HydrophobicContact CG-CE1 4.11Å; P79-D322 WeakPolarHBondContact CD-OD2 3.39Å |
| 80 | L | 89.8 | Confident | 92.1 | Very high | 46 Ų | 46 | 81.4 Ų | 81.4 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -20.1 | -178.4 | -68.2 | 180 | 0 | 0 | 0 | 113.1 | N78 P84 F320 G323 | N78-L80 VanDerWaalsContact C-N 3.31Å; N78-L80 PolarHBondContact O-N 2.84Å; L80-P84 HydrophobicContact CD2-CB 4.39Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.44Å; L80-P84 WeakPolarHBondContact O-CG 3.4Å; L80-F320 HydrophobicContact CD1-CB 3.72Å; L80-F320 HydrophobicContact CD1-CG 4.1Å; L80-F320 HydrophobicContact CD2-CD1 3.97Å; L80-F320 HydrophobicContact CD2-CD2 4.22Å; L80-F320 HydrophobicContact CD2-CE1 4.14Å; L80-F320 HydrophobicContact CD2-CE2 4.39Å; L80-F320 HydrophobicContact CD2-CG 4Å; L80-F320 HydrophobicContact CD2-CZ 4.34Å; L80-F320 HydrophobicContact CG-CB 4.12Å; L80-F320 HydrophobicContact CG-CD1 4.01Å; L80-F320 HydrophobicContact CG-CG 4.06Å; L80-G323 VanDerWaalsContact CD1-CA 3.47Å |
| 81 | K | 89.3 | Confident | 92 | Very high | 168 Ų | 168 | 81 Ų | 81 | 73% | 0.73 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -23.7 | 176.5 | -63.4 | 177.5 | -177.2 | 169.6 | 0 | 112.2 | N78 P79 E83 | N78-K81 HydrophobicContact CB-CD 4.31Å; N78-K81 PolarHBondContact O-N 3.02Å; P79-K81 VanDerWaalsContact C-N 3.29Å; P79-K81 PolarHBondContact O-N 3.22Å; K81-E83 PolarHBondContact O-N 2.88Å |
| 82 | D | 88.1 | Confident | 91.8 | Very high | 69 Ų | 69 | 81.3 Ų | 81.3 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -93.7 | 72.7 | -178.5 | -177.2 | 10.5 | 0 | 0 | 0 | 111 | K76 P79 K188 | K76-D82 IonicContact NZ-OD2 3.48Å; P79-D82 PolarHBondContact O-N 3.42Å; D82-K188 PolarHBondContact O-NZ 3Å; D82-K188 IonicContact OD1-NZ 2.81Å; D82-K188 PolarHBondContact OD1-NZ 3.25Å |
| 83 | E | 88.6 | Confident | 91.6 | Very high | 155 Ų | 155 | 81.2 Ų | 81.2 | 72% | 0.724 | 44% | 0.437 | S | S | * | . | trans | 39.8 | 67.6 | 175.3 | -61.8 | 176 | 173.8 | 0 | 0 | 113 | K81 K188 | K81-E83 PolarHBondContact O-N 2.88Å; E83-K188 VanDerWaalsContact O-CD 3.31Å; E83-K188 WeakPolarHBondContact O-CD 3.46Å; E83-K188 PolarHBondContact O-NZ 3.44Å | ||
| 84 | P | 86.9 | Confident | 91.6 | Very high | 66 Ų | 66 | 80.1 Ų | 80.1 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 145.5 | -178.9 | 29 | -35.5 | 0 | 0 | 0 | 110.5 | L80 | L80-P84 HydrophobicContact CD2-CB 4.39Å; L80-P84 VanDerWaalsContact O-CD 3.31Å; L80-P84 WeakPolarHBondContact O-CD 3.44Å; L80-P84 WeakPolarHBondContact O-CG 3.4Å |
| 85 | W | 92.2 | Very high | 91.5 | Very high | 101 Ų | 101 | 80.4 Ų | 80.4 | 38% | 0.383 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 157.2 | 169.3 | -70.1 | 0.2 | 0 | 0 | 0 | 110.6 | L87 Y132 V186 K188 | W85-L87 PolarHBondContact O-N 3.12Å; W85-Y132 AromaticContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CG 4.32Å; W85-Y132 AromaticContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CG 4.14Å; W85-V186 HydrophobicContact CE3-CG1 3.63Å; W85-V186 HydrophobicContact CZ3-CG1 3.39Å; W85-K188 HydrophobicContact CD2-CB 4.04Å; W85-K188 HydrophobicContact CG-CB 4.07Å |
| 86 | P | 92.7 | Very high | 91.6 | Very high | 102 Ų | 102 | 77.4 Ų | 77.4 | 66% | 0.662 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 131.4 | 179.6 | -25.9 | 34.8 | 0 | 0 | 0 | 112.2 | ||
| 87 | L | 92.5 | Very high | 91.8 | Very high | 98 Ų | 98 | 75.3 Ų | 75.3 | 51% | 0.513 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 124.5 | 175.9 | -59.6 | 179.1 | 0 | 0 | 0 | 109 | W85 P317 F320 | W85-L87 PolarHBondContact O-N 3.12Å; L87-P317 HydrophobicContact CD2-CG 3.86Å; L87-F320 HydrophobicContact CD2-CE2 4.11Å; L87-F320 HydrophobicContact CD2-CZ 4.32Å |
| 88 | H | 94.1 | Very high | 92 | Very high | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 148.8 | 176.4 | -62.4 | -77 | 0 | 0 | 0 | 110.5 | N184 F316 | H88-N184 HydrophobicContact CB-CB 3.74Å; H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.48Å; H88-F316 WeakPolarHBondContact O-CE1 3.37Å |
| 89 | P | 93.5 | Very high | 92.4 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 161.6 | 173.4 | 30.1 | -35.2 | 0 | 0 | 0 | 111.3 | F316 | P89-F316 WeakPolarHBondContact O-CE1 3.45Š|
| 90 | W | 94.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 67.8 Ų | 67.8 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 134 | 173.3 | 177.6 | 87.8 | 0 | 0 | 0 | 110.9 | P92 K312 F316 | W90-P92 HydrophobicContact CH2-CB 4.38Å; W90-P92 HydrophobicContact CH2-CG 4.2Å; W90-P92 HydrophobicContact CZ3-CG 4.17Å; W90-K312 HydrophobicContact CD2-CB 4.34Å; W90-K312 HydrophobicContact CE3-CB 4.08Å; W90-K312 HydrophobicContact CE3-CG 3.91Å; W90-K312 HydrophobicContact CH2-CB 3.88Å; W90-K312 HydrophobicContact CH2-CG 4.27Å; W90-K312 HydrophobicContact CZ2-CB 4.15Å; W90-K312 HydrophobicContact CZ3-CB 3.84Å; W90-K312 HydrophobicContact CZ3-CD 4.18Å; W90-K312 HydrophobicContact CZ3-CG 3.74Å; W90-F316 HydrophobicContact CB-CB 4.32Å; W90-F316 HydrophobicContact CB-CD1 4.24Å; W90-F316 HydrophobicContact CB-CG 4.1Å; W90-F316 AromaticContact CD1-CD2 3.95Å |
| 91 | E | 93.9 | Very high | 93.2 | Very high | 108 Ų | 108 | 65.7 Ų | 65.7 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | trans | -120.8 | 150.8 | 174.7 | -63.4 | 178 | 178.7 | 0 | 0 | 110.8 | G93 S94 | E91-G93 PolarHBondContact O-N 2.84Å; E91-S94 PolarHBondContact N-OG 3.13Å; E91-S94 WeakPolarHBondContact O-CB 3.19Å; E91-S94 PolarHBondContact O-N 3.49Å; E91-S94 PolarHBondContact O-OG 3.24Å | ||
| 92 | P | 91.9 | Very high | 93.7 | Very high | 105 Ų | 105 | 58.2 Ų | 58.2 | 68% | 0.682 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 130.6 | 173.9 | -24.9 | 34.7 | 0 | 0 | 0 | 112.2 | W90 | W90-P92 HydrophobicContact CH2-CB 4.38Å; W90-P92 HydrophobicContact CH2-CG 4.2Å; W90-P92 HydrophobicContact CZ3-CG 4.17Å |
| 93 | G | 90.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 55.9 Ų | 55.9 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 6.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | E91 | E91-G93 PolarHBondContact O-N 2.84Š|
| 94 | S | 93.3 | Very high | 94.6 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | trans | -69.6 | 141.2 | 172.3 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | E91 T182 N184 | E91-S94 PolarHBondContact N-OG 3.13Å; E91-S94 WeakPolarHBondContact O-CB 3.19Å; E91-S94 PolarHBondContact O-N 3.49Å; E91-S94 PolarHBondContact O-OG 3.24Å; S94-T182 WeakPolarHBondContact CA-OG1 3.47Å; S94-N184 PolarHBondContact OG-ND2 2.82Å | ||
| 95 | F | 93.6 | Very high | 95.1 | Very high | 96 Ų | 96 | 48.6 Ų | 48.6 | 42% | 0.421 | 26% | 0.262 | S | S | . | . | trans | -118.8 | 117.2 | 173.1 | -64 | -68.4 | 0 | 0 | 0 | 109.2 | V181 T182 A185 | F95-V181 WeakPolarHBondContact O-CA 3.46Å; F95-V181 WeakPolarHBondContact O-CG1 3.34Å; F95-T182 HydrophobicContact CB-CG2 4.24Å; F95-T182 HydrophobicContact CD2-CG2 3.84Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.22Å; F95-T182 PolarHBondContact O-N 2.81Å; F95-T182 VanDerWaalsContact O-N 3.07Å; F95-T182 PolarHBondContact O-OG1 2.96Å; F95-A185 VanDerWaalsContact O-CB 3.28Å; F95-A185 WeakPolarHBondContact O-CB 3.41Å | ||
| 96 | R | 94.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 48 Ų | 48 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | trans | -88 | 171.3 | 175.6 | 64.2 | -177.7 | -177.7 | 149.7 | 17.2 | 112.7 | A185 H197 Q202 D301 P315 F316 | R96-A185 HydrophobicContact CB-CB 4.44Å; R96-H197 PolarHBondContact NH1-O 3.4Å; R96-H197 PolarHBondContact NH2-O 2.93Å; R96-Q202 VanDerWaalsContact NH2-OE1 3.14Å; R96-D301 WeakPolarHBondContact CG-OD2 3.4Å; R96-D301 IonicContact CZ-OD1 3.47Å; R96-D301 IonicContact CZ-OD2 3.69Å; R96-D301 IonicContact NE-OD1 2.8Å; R96-D301 PolarHBondContact NE-OD1 3.01Å; R96-D301 IonicContact NE-OD2 3.35Å; R96-D301 PolarHBondContact NE-OD2 3.19Å; R96-D301 IonicContact NH2-OD1 3.63Å; R96-D301 PolarHBondContact NH2-OD1 3.14Å; R96-D301 IonicContact NH2-OD2 3Å; R96-P315 PolarHBondContact NH1-O 3.2Å; R96-F316 HydrophobicContact CB-CD2 4.13Å; R96-F316 HydrophobicContact CB-CE2 4.18Å | ||
| 97 | V | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | trans | -63.1 | 158.3 | 176.6 | 74.6 | 0 | 0 | 0 | 0 | 110.9 | L145 V147 I187 L193 H197 | V97-L145 HydrophobicContact CB-CD1 4.16Å; V97-L145 HydrophobicContact CG2-CB 4.37Å; V97-L145 HydrophobicContact CG2-CD1 4.05Å; V97-V147 HydrophobicContact CG2-CG2 3.62Å; V97-I187 HydrophobicContact CB-CD1 4.17Å; V97-I187 HydrophobicContact CG1-CD1 3.6Å; V97-L193 HydrophobicContact CG1-CD1 4.2Å; V97-L193 HydrophobicContact CG1-CD2 4.12Å; V97-L193 HydrophobicContact CG2-CD1 4.19Å; V97-H197 PolarHBondContact O-CE1 3Å; V97-H197 PolarHBondContact O-NE2 3.39Å | ||
| 98 | G | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -114.6 | -174.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112 | I299 | G98-I299 CarbonylContact C-O 3.51Å; G98-I299 VanDerWaalsContact CA-O 3.28Å; G98-I299 WeakPolarHBondContact CA-O 3.46Å | ||
| 99 | L | 98 | Very high | 96 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 158.9 | -176.9 | -59.2 | -175.6 | 0 | 0 | 0 | 112.9 | V124 L193 Y194 H197 F198 I283 I299 | L99-V124 HydrophobicContact CD1-CG1 4.33Å; L99-V124 HydrophobicContact CD1-CG2 3.72Å; L99-L193 HydrophobicContact CD2-CB 3.44Å; L99-L193 VanDerWaalsContact CD2-CB 3.44Å; L99-L193 HydrophobicContact CD2-CD1 3.92Å; L99-L193 HydrophobicContact CD2-CG 4.25Å; L99-Y194 WeakPolarHBondContact CD1-O 3.36Å; L99-H197 HydrophobicContact CD1-CB 4.13Å; L99-H197 HydrophobicContact CD2-CB 4.44Å; L99-H197 HydrophobicContact CG-CB 4.48Å; L99-F198 HydrophobicContact CB-CE2 4.01Å; L99-F198 HydrophobicContact CD1-CD2 3.78Å; L99-F198 HydrophobicContact CD1-CE2 3.54Å; L99-F198 HydrophobicContact CG-CD2 4.31Å; L99-F198 HydrophobicContact CG-CE2 3.59Å; L99-F198 HydrophobicContact CG-CZ 4.39Å; L99-I283 HydrophobicContact CD1-CD1 4.1Å; L99-I299 PolarHBondContact N-O 2.93Å; L99-I299 PolarHBondContact O-N 2.84Å |
| 100 | I | 98.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 123.8 | 163.5 | -61.2 | 176.9 | 0 | 0 | 0 | 107.7 | C127 V147 K177 F179 L296 V297 | I100-C127 PolarHBondContact N-SG 3.49Å; I100-V147 HydrophobicContact CD1-CG1 4.33Å; I100-V147 WeakPolarHBondContact CD1-O 3.44Å; I100-V147 HydrophobicContact CG1-CG1 4.36Å; I100-K177 HydrophobicContact CD1-CB 3.9Å; I100-K177 HydrophobicContact CD1-CG 3.83Å; I100-K177 HydrophobicContact CG1-CB 4.31Å; I100-K177 HydrophobicContact CG1-CG 4.2Å; I100-F179 HydrophobicContact CG1-CE2 4.5Å; I100-L296 HydrophobicContact CG2-CB 4.44Å; I100-L296 HydrophobicContact CG2-CD2 4.09Å; I100-V297 WeakPolarHBondContact CA-O 3.48Å |
| 101 | A | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 164.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L122 Q123 V124 L296 V297 I299 | A101-L122 HydrophobicContact CB-CB 3.92Å; A101-Q123 CarbonylContact C-O 3.56Å; A101-Q123 VanDerWaalsContact CA-O 3.25Å; A101-Q123 WeakPolarHBondContact CA-O 3.3Å; A101-Q123 WeakPolarHBondContact CB-O 3.27Å; A101-V124 HydrophobicContact CB-CG2 4.19Å; A101-L296 CarbonylContact O-C 3.52Å; A101-L296 VanDerWaalsContact O-CA 3.31Å; A101-L296 WeakPolarHBondContact O-CA 3.4Å; A101-V297 HydrophobicContact CB-CG2 4.03Å; A101-V297 PolarHBondContact N-O 3.22Å; A101-V297 WeakPolarHBondContact O-CG2 3.25Å; A101-V297 PolarHBondContact O-N 2.9Å; A101-I299 HydrophobicContact CB-CD1 3.6Å; A101-I299 HydrophobicContact CB-CG1 4.41Å |
| 102 | L | 98.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.063 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 125 | 173.8 | -175 | 153.4 | 0 | 0 | 0 | 109 | L104 L122 Q123 K150 N294 C295 L296 | L102-L104 HydrophobicContact CD2-CD2 3.59Å; L102-L104 HydrophobicContact CD2-CG 4.15Å; L102-L104 PolarHBondContact O-N 3.19Å; L102-L122 CarbonylContact O-C 3.6Å; L102-L122 WeakPolarHBondContact O-CA 3.29Å; L102-Q123 PolarHBondContact N-O 3.16Å; L102-Q123 PolarHBondContact O-N 2.82Å; L102-K150 HydrophobicContact CD1-CD 4.36Å; L102-N294 HydrophobicContact CD2-CB 4.38Å; L102-C295 WeakPolarHBondContact CA-O 3.17Å; L102-L296 HydrophobicContact CB-CD2 4.33Å |
| 103 | K | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 104.8 | 176.8 | 178.1 | -179.2 | 175 | -177.9 | 0 | 110.2 | T120 L122 V289 G291 N294 C295 V297 | K103-T120 HydrophobicContact CD-CG2 4.31Å; K103-T120 HydrophobicContact CG-CG2 3.89Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.22Å; K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.44Å; K103-V289 PolarHBondContact NZ-O 3.4Å; K103-G291 PolarHBondContact NZ-O 3.05Å; K103-N294 WeakPolarHBondContact O-CA 3.3Å; K103-N294 PolarHBondContact O-N 3.33Å; K103-C295 PolarHBondContact N-O 2.8Å; K103-V297 HydrophobicContact CB-CG1 4.1Å |
| 104 | L | 98 | Very high | 96.6 | Very high | 56 Ų | 56 | 38.6 Ų | 38.6 | 29% | 0.293 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | -57.5 | -179.7 | -68 | 173.1 | 0 | 0 | 0 | 111.4 | L102 L121 Q123 I282 | L102-L104 HydrophobicContact CD2-CD2 3.59Å; L102-L104 HydrophobicContact CD2-CG 4.15Å; L102-L104 PolarHBondContact O-N 3.19Å; L104-L121 HydrophobicContact CB-CB 4.14Å; L104-L121 HydrophobicContact CD1-CB 4.35Å; L104-L121 PolarHBondContact N-O 3.3Å; L104-Q123 HydrophobicContact CD1-CB 3.9Å; L104-Q123 HydrophobicContact CD2-CB 4.49Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; L104-I282 HydrophobicContact CD1-CD1 4.09Å |
| 105 | G | 97.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178 | -162.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T120 L121 | G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.34Å; G105-L121 PolarHBondContact O-N 2.99Å |
| 106 | M | 98.5 | Very high | 96.8 | Very high | 89 Ų | 89 | 46.2 Ų | 46.2 | 44% | 0.438 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 149 | 176.4 | -64.4 | -179.6 | 70.1 | 0 | 0 | 109.6 | A118 V119 S288 | M106-A118 HydrophobicContact CE-CB 4.16Å; M106-V119 CarbonylContact C-O 3.51Å; M106-V119 WeakPolarHBondContact CA-O 3.47Å; M106-S288 WeakPolarHBondContact CE-OG 3.34Å |
| 107 | M | 97.6 | Very high | 97 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 156.8 | 174.7 | 69.1 | 179.8 | -77.1 | 0 | 0 | 110.5 | V119 L121 Y284 | M107-V119 HydrophobicContact CG-CG2 3.45Å; M107-V119 VanDerWaalsContact CG-CG2 3.45Å; M107-V119 PolarHBondContact N-O 3.4Å; M107-V119 WeakPolarHBondContact O-CG2 3.4Å; M107-V119 PolarHBondContact O-N 3.18Å; M107-V119 HydrophobicContact SD-CG2 4.43Å; M107-L121 HydrophobicContact CB-CD1 4.05Å; M107-L121 HydrophobicContact CG-CD1 3.71Å; M107-L121 HydrophobicContact CG-CG 4.47Å; M107-L121 HydrophobicContact SD-CD1 4.06Å; M107-L121 HydrophobicContact SD-CD2 4.11Å; M107-L121 HydrophobicContact SD-CG 4.28Å; M107-Y284 HydrophobicContact SD-CD1 3.9Å; M107-Y284 HydrophobicContact SD-CE1 3.49Å; M107-Y284 WeakPolarHBondContact SD-CE1 3.47Å |
| 108 | P | 97.3 | Very high | 97 | Very high | 53 Ų | 53 | 50.1 Ų | 50.1 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151.3 | 168.1 | 32.7 | -34.7 | 0 | 0 | 0 | 110.9 | W110 H117 | P108-W110 HydrophobicContact CB-CH2 3.81Å; P108-W110 HydrophobicContact CB-CZ2 4.21Å; P108-W110 HydrophobicContact CB-CZ3 4.05Å; P108-W110 HydrophobicContact CG-CH2 3.64Å; P108-W110 HydrophobicContact CG-CZ2 4.42Å; P108-W110 HydrophobicContact CG-CZ3 3.95Å; P108-H117 CarbonylContact C-O 3.44Å |
| 109 | L | 96.7 | Very high | 97.1 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 8% | 0.079 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.2 | 171 | -176.7 | 148.8 | 0 | 0 | 0 | 107.9 | H117 V119 W274 V337 | L109-H117 PolarHBondContact N-O 3.27Å; L109-H117 PolarHBondContact O-N 3.23Å; L109-H117 VanDerWaalsContact O-O 3.08Å; L109-V119 HydrophobicContact CB-CG1 3.88Å; L109-V119 HydrophobicContact CB-CG2 4.13Å; L109-V119 HydrophobicContact CD1-CG1 4.23Å; L109-W274 HydrophobicContact CD1-CB 3.88Å; L109-W274 HydrophobicContact CD1-CG 4.37Å; L109-W274 HydrophobicContact CD2-CD2 4.35Å; L109-W274 HydrophobicContact CD2-CG 4.45Å; L109-V337 HydrophobicContact CD1-CG1 4.07Å; L109-V337 HydrophobicContact CD1-CG2 4.49Å; L109-V337 HydrophobicContact CD2-CG1 3.98Å; L109-V337 HydrophobicContact CD2-CG2 4.03Å; L109-V337 HydrophobicContact CG-CG1 4.17Å |
| 110 | W | 96.9 | Very high | 97.1 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 48% | 0.481 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 136.3 | 179.3 | -66.4 | -98.9 | 0 | 0 | 0 | 110.5 | P108 Q115 W338 | P108-W110 HydrophobicContact CB-CH2 3.81Å; P108-W110 HydrophobicContact CB-CZ2 4.21Å; P108-W110 HydrophobicContact CB-CZ3 4.05Å; P108-W110 HydrophobicContact CG-CH2 3.64Å; P108-W110 HydrophobicContact CG-CZ2 4.42Å; P108-W110 HydrophobicContact CG-CZ3 3.95Å; W110-Q115 WeakPolarHBondContact CA-O 3.31Å; W110-W338 PolarHBondContact O-N 3.47Å |
| 111 | T | 96.2 | Very high | 97.1 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -84.3 | 156.9 | 171.2 | -51.2 | 0 | 0 | 0 | 0 | 108.9 | D113 G114 Q115 H117 S336 | T111-D113 HydrophobicContact CG2-CB 4.21Å; T111-D113 PolarHBondContact O-N 2.6Å; T111-D113 VanDerWaalsContact O-N 3.16Å; T111-G114 PolarHBondContact O-N 2.97Å; T111-Q115 PolarHBondContact N-O 2.9Å; T111-H117 PolarHBondContact OG1-CD2 3.3Å; T111-H117 PolarHBondContact OG1-NE2 3.27Å; T111-S336 CarbonylContact C-O 3.57Å; T111-S336 VanDerWaalsContact CA-O 3.29Å; T111-S336 WeakPolarHBondContact CA-O 3.37Å; T111-S336 WeakPolarHBondContact CG2-O 3.37Å |
| 112 | K | 95.2 | Very high | 97.1 | Very high | 81 Ų | 81 | 51.2 Ų | 51.2 | 35% | 0.352 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.9 | 172.3 | -69 | 177.1 | 176.3 | 170.2 | 0 | 113 | G114 E335 S336 V337 W338 E342 | K112-G114 PolarHBondContact O-N 3.15Å; K112-E335 WeakPolarHBondContact CD-O 3.39Å; K112-E335 WeakPolarHBondContact CE-O 3.44Å; K112-E335 PolarHBondContact NZ-O 3.02Å; K112-S336 PolarHBondContact N-O 3.36Å; K112-V337 VanDerWaalsContact CE-O 3.27Å; K112-V337 WeakPolarHBondContact CE-O 3.32Å; K112-W338 HydrophobicContact CG-CB 4.35Å; K112-E342 WeakPolarHBondContact CE-OE1 3.45Å; K112-E342 WeakPolarHBondContact CE-OE2 3.38Å; K112-E342 IonicContact NZ-OE1 2.81Å; K112-E342 PolarHBondContact NZ-OE1 3.27Å |
| 113 | D | 94.2 | Very high | 97.1 | Very high | 105 Ų | 105 | 52.7 Ų | 52.7 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.9 | 173.2 | -53.2 | -34.9 | 0 | 0 | 0 | 114.1 | T111 Q115 | T111-D113 HydrophobicContact CG2-CB 4.21Å; T111-D113 PolarHBondContact O-N 2.6Å; T111-D113 VanDerWaalsContact O-N 3.16Å; D113-Q115 HydrophobicContact CB-CG 4.39Å; D113-Q115 PolarHBondContact O-N 3.5Å |
| 114 | G | 93.1 | Very high | 97.1 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | S | Bend | trans | 78.1 | 0.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T111 K112 | T111-G114 PolarHBondContact O-N 2.97Å; K112-G114 PolarHBondContact O-N 3.15Å |
| 115 | Q | 95.9 | Very high | 97 | Very high | 117 Ų | 117 | 52.3 Ų | 52.3 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | trans | -74.8 | 138.4 | 177.6 | -63 | -171.6 | 13.6 | 0 | 0 | 112 | W110 T111 D113 | W110-Q115 WeakPolarHBondContact CA-O 3.31Å; T111-Q115 PolarHBondContact N-O 2.9Å; D113-Q115 HydrophobicContact CB-CG 4.39Å; D113-Q115 PolarHBondContact O-N 3.5Å | ||
| 116 | K | 96.6 | Very high | 96.8 | Very high | 152 Ų | 152 | 54.9 Ų | 54.9 | 66% | 0.661 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 121.5 | 176.7 | -180 | -177.5 | 177.3 | 178.6 | 0 | 110.7 | ||
| 117 | H | 97.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 50.8 Ų | 50.8 | 21% | 0.208 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 144.7 | 170.1 | -62.5 | -77.8 | 0 | 0 | 0 | 111 | P108 L109 T111 W274 | P108-H117 CarbonylContact C-O 3.44Å; L109-H117 PolarHBondContact N-O 3.27Å; L109-H117 PolarHBondContact O-N 3.23Å; L109-H117 VanDerWaalsContact O-O 3.08Å; T111-H117 PolarHBondContact OG1-CD2 3.3Å; T111-H117 PolarHBondContact OG1-NE2 3.27Å; H117-W274 AromaticContact CD2-CZ2 3.82Å; H117-W274 AromaticContact CG-CZ2 3.97Å |
| 118 | A | 97.7 | Very high | 96.8 | Very high | 51 Ų | 51 | 47.8 Ų | 47.8 | 42% | 0.421 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 126 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | M106 G287 | M106-A118 HydrophobicContact CE-CB 4.16Å; A118-G287 VanDerWaalsContact O-CA 3.3Å; A118-G287 WeakPolarHBondContact O-CA 3.22Å; A118-G287 PolarHBondContact O-N 3.44Å |
| 119 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.7 | -178.7 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | M106 M107 L109 W274 Y284 V285 | M106-V119 CarbonylContact C-O 3.51Å; M106-V119 WeakPolarHBondContact CA-O 3.47Å; M107-V119 HydrophobicContact CG-CG2 3.45Å; M107-V119 VanDerWaalsContact CG-CG2 3.45Å; M107-V119 PolarHBondContact N-O 3.4Å; M107-V119 WeakPolarHBondContact O-CG2 3.4Å; M107-V119 PolarHBondContact O-N 3.18Å; M107-V119 HydrophobicContact SD-CG2 4.43Å; L109-V119 HydrophobicContact CB-CG1 3.88Å; L109-V119 HydrophobicContact CB-CG2 4.13Å; L109-V119 HydrophobicContact CD1-CG1 4.23Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.23Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; V119-V285 CarbonylContact C-O 3.58Å; V119-V285 VanDerWaalsContact CA-O 3.29Å; V119-V285 WeakPolarHBondContact CA-O 3.37Å |
| 120 | T | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.2 | 173.6 | -61 | 0 | 0 | 0 | 0 | 109.8 | K103 G105 L122 V285 G287 V289 | K103-T120 HydrophobicContact CD-CG2 4.31Å; K103-T120 HydrophobicContact CG-CG2 3.89Å; G105-T120 WeakPolarHBondContact O-CA 3.48Å; G105-T120 WeakPolarHBondContact O-CG2 3.34Å; T120-L122 HydrophobicContact CG2-CD2 3.85Å; T120-L122 HydrophobicContact CG2-CG 4.44Å; T120-V285 PolarHBondContact N-O 3.46Å; T120-V285 PolarHBondContact O-N 2.81Å; T120-G287 PolarHBondContact OG1-O 2.99Å; T120-V289 HydrophobicContact CG2-CB 4.08Å; T120-V289 HydrophobicContact CG2-CG2 3.92Å |
| 121 | L | 98.5 | Very high | 96.8 | Very high | 26 Ų | 26 | 43 Ų | 43 | 14% | 0.136 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.9 | 177.7 | -59.5 | 82.9 | 0 | 0 | 0 | 110.1 | L104 G105 M107 I282 Y284 | L104-L121 HydrophobicContact CB-CB 4.14Å; L104-L121 HydrophobicContact CD1-CB 4.35Å; L104-L121 PolarHBondContact N-O 3.3Å; G105-L121 PolarHBondContact O-N 2.99Å; M107-L121 HydrophobicContact CB-CD1 4.05Å; M107-L121 HydrophobicContact CG-CD1 3.71Å; M107-L121 HydrophobicContact CG-CG 4.47Å; M107-L121 HydrophobicContact SD-CD1 4.06Å; M107-L121 HydrophobicContact SD-CD2 4.11Å; M107-L121 HydrophobicContact SD-CG 4.28Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.49Å; L121-Y284 HydrophobicContact CD2-CD1 4.45Å; L121-Y284 HydrophobicContact CD2-CE1 3.73Å; L121-Y284 HydrophobicContact CG-CD1 4.05Å; L121-Y284 HydrophobicContact CG-CE1 3.84Å |
| 122 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 110.9 | 179.9 | -57.5 | -177.8 | 0 | 0 | 0 | 109.9 | A101 L102 K103 T120 V206 I282 I283 V285 V289 V297 I299 | A101-L122 HydrophobicContact CB-CB 3.92Å; L102-L122 CarbonylContact O-C 3.6Å; L102-L122 WeakPolarHBondContact O-CA 3.29Å; K103-L122 HydrophobicContact CB-CD2 3.96Å; K103-L122 HydrophobicContact CG-CD2 4.22Å; T120-L122 HydrophobicContact CG2-CD2 3.85Å; T120-L122 HydrophobicContact CG2-CG 4.44Å; L122-V206 HydrophobicContact CD1-CG2 4.32Å; L122-I282 WeakPolarHBondContact O-CA 3.31Å; L122-I283 HydrophobicContact CB-CB 4.43Å; L122-I283 PolarHBondContact N-O 2.73Å; L122-I283 PolarHBondContact O-N 3.33Å; L122-V285 HydrophobicContact CD1-CB 4.26Å; L122-V285 HydrophobicContact CD1-CG2 3.65Å; L122-V285 HydrophobicContact CG-CG2 4.34Å; L122-V289 HydrophobicContact CD1-CG2 4.38Å; L122-V289 HydrophobicContact CD2-CG2 4.43Å; L122-V297 HydrophobicContact CD1-CG2 4.18Å; L122-V297 HydrophobicContact CD2-CG2 3.87Å; L122-I299 HydrophobicContact CB-CD1 4.08Å; L122-I299 HydrophobicContact CD1-CD1 3.47Å; L122-I299 VanDerWaalsContact CD1-CD1 3.47Å; L122-I299 HydrophobicContact CD1-CG1 4.02Å; L122-I299 HydrophobicContact CG-CD1 4.4Å |
| 123 | Q | 98.5 | Very high | 96.8 | Very high | 43 Ų | 43 | 43.4 Ų | 43.4 | 20% | 0.201 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.6 | -178.7 | -171.3 | -177.7 | 23.3 | 0 | 0 | 111.5 | A101 L102 L104 Q125 N281 I282 | A101-Q123 CarbonylContact C-O 3.56Å; A101-Q123 VanDerWaalsContact CA-O 3.25Å; A101-Q123 WeakPolarHBondContact CA-O 3.3Å; A101-Q123 WeakPolarHBondContact CB-O 3.27Å; L102-Q123 PolarHBondContact N-O 3.16Å; L102-Q123 PolarHBondContact O-N 2.82Å; L104-Q123 HydrophobicContact CD1-CB 3.9Å; L104-Q123 HydrophobicContact CD2-CB 4.49Å; L104-Q123 HydrophobicContact CG-CB 4.06Å; Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-Q125 PolarHBondContact O-N 3.46Å; Q123-N281 CarbonylContact C-O 3.58Å; Q123-N281 WeakPolarHBondContact CA-O 3.37Å; Q123-I282 HydrophobicContact CB-CG1 4.28Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å |
| 124 | V | 98 | Very high | 96.9 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 21% | 0.211 | C | C | . | . | trans | -86.1 | 113.3 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | L99 A101 C127 A195 N281 I283 | L99-V124 HydrophobicContact CD1-CG1 4.33Å; L99-V124 HydrophobicContact CD1-CG2 3.72Å; A101-V124 HydrophobicContact CB-CG2 4.19Å; V124-C127 HydrophobicContact CG1-CB 3.5Å; V124-C127 VanDerWaalsContact CG1-CB 3.5Å; V124-A195 HydrophobicContact CG2-CB 4.08Å; V124-N281 HydrophobicContact CB-CB 4.21Å; V124-N281 PolarHBondContact N-O 3.28Å; V124-N281 WeakPolarHBondContact O-CB 3.27Å; V124-I283 HydrophobicContact CG2-CD1 3.88Å; V124-I283 HydrophobicContact CG2-CG1 4.49Å | ||
| 125 | Q | 95.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 21% | 0.206 | S | C | . | . | trans | -118.2 | 121 | -179.2 | -65.2 | -176.8 | -8.2 | 0 | 0 | 110.2 | Q123 C127 K150 | Q123-Q125 HydrophobicContact CG-CG 3.97Å; Q123-Q125 PolarHBondContact O-N 3.46Å; Q125-C127 PolarHBondContact O-N 3.38Å; Q125-C127 VanDerWaalsContact O-N 3.15Å; Q125-K150 PolarHBondContact O-N 3.5Å; Q125-K150 VanDerWaalsContact O-N 3.07Å | ||
| 126 | D | 94.5 | Very high | 96.7 | Very high | 66 Ų | 66 | 44.8 Ų | 44.8 | 35% | 0.353 | 22% | 0.22 | S | C | . | . | S | Bend | trans | 41.6 | 47.5 | 177.9 | -51.8 | -29.3 | 0 | 0 | 0 | 114.3 | H128 T151 K173 | D126-H128 PolarHBondContact O-ND1 3.48Å; D126-T151 WeakPolarHBondContact CB-OG1 3.4Å; D126-T151 WeakPolarHBondContact OD2-CB 3.42Å; D126-T151 PolarHBondContact OD2-OG1 3.44Å; D126-K173 VanDerWaalsContact CB-NZ 3.29Å; D126-K173 PolarHBondContact O-NZ 2.87Å |
| 127 | C | 97.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.02 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 119.4 | -178 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | I100 V124 Q125 V147 G148 L193 | I100-C127 PolarHBondContact N-SG 3.49Å; V124-C127 HydrophobicContact CG1-CB 3.5Å; V124-C127 VanDerWaalsContact CG1-CB 3.5Å; Q125-C127 PolarHBondContact O-N 3.38Å; Q125-C127 VanDerWaalsContact O-N 3.15Å; C127-V147 WeakPolarHBondContact SG-CG1 3.33Å; C127-G148 WeakPolarHBondContact CA-O 3.45Å; C127-L193 HydrophobicContact CB-CB 4.28Å; C127-L193 PolarHBondContact O-N 2.78Å |
| 128 | H | 97.5 | Very high | 96 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 149 | -177.4 | -62 | 74.2 | 0 | 0 | 0 | 111 | D126 V147 G148 L170 T191 | D126-H128 PolarHBondContact O-ND1 3.48Å; H128-V147 WeakPolarHBondContact O-CA 3.33Å; H128-G148 PolarHBondContact N-O 3.15Å; H128-G148 VanDerWaalsContact N-O 3.07Å; H128-G148 PolarHBondContact O-N 2.79Å; H128-L170 HydrophobicContact CB-CD1 3.7Å; H128-T191 WeakPolarHBondContact CA-O 3.22Å |
| 129 | V | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 127.6 | 168.9 | -176.3 | 0 | 0 | 0 | 0 | 108.7 | L145 I187 G190 T191 L193 | V129-L145 HydrophobicContact CG1-CD2 3.95Å; V129-I187 HydrophobicContact CG2-CB 4.31Å; V129-I187 HydrophobicContact CG2-CG2 4.05Å; V129-G190 PolarHBondContact O-N 3.26Å; V129-T191 PolarHBondContact N-O 3.32Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.43Å; V129-L193 HydrophobicContact CG2-CG 4.29Å |
| 130 | L | 97.2 | Very high | 94.4 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | -46.8 | -176.3 | -60 | -178 | 0 | 0 | 0 | 112.8 | T146 F164 Y165 L168 K173 H176 | L130-T146 HydrophobicContact CB-CG2 4.4Å; L130-T146 WeakPolarHBondContact CB-O 3.2Å; L130-T146 HydrophobicContact CD1-CG2 4.31Å; L130-T146 PolarHBondContact N-O 3.07Å; L130-F164 HydrophobicContact CB-CE1 4.13Å; L130-F164 HydrophobicContact CB-CZ 4.03Å; L130-Y165 WeakPolarHBondContact CD1-OH 3.34Å; L130-Y165 HydrophobicContact CD2-CE1 3.74Å; L130-L168 HydrophobicContact CB-CD2 4.35Å; L130-L168 HydrophobicContact CD2-CD2 3.78Å; L130-K173 HydrophobicContact CD2-CG 4.47Å; L130-H176 HydrophobicContact CD1-CB 4.33Å |
| 131 | K | 96.3 | Very high | 94 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 40% | 0.4 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 150 | 179.5 | 63.6 | 166.4 | -172.2 | 170.6 | 0 | 110.9 | T146 F164 | K131-T146 WeakPolarHBondContact CE-OG1 2.94Å; K131-T146 VanDerWaalsContact CG-CB 3.47Å; K131-T146 HydrophobicContact CG-CG2 4.29Å; K131-T146 WeakPolarHBondContact CG-OG1 3.36Å; K131-T146 PolarHBondContact N-O 2.82Å; K131-T146 PolarHBondContact O-N 3.18Å; K131-F164 HydrophobicContact CB-CZ 4.4Å |
| 132 | Y | 96.5 | Very high | 93.7 | Very high | 69 Ų | 69 | 58.9 Ų | 58.9 | 27% | 0.271 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 139.8 | 167.2 | 170.3 | -113.2 | 0 | 0 | 0 | 109.2 | W85 P134 A143 L145 V186 | W85-Y132 AromaticContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CD1 3.97Å; W85-Y132 HydrophobicContact CH2-CG 4.32Å; W85-Y132 AromaticContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CD1 3.98Å; W85-Y132 HydrophobicContact CZ3-CG 4.14Å; Y132-P134 HydrophobicContact CE1-CB 4.21Å; Y132-A143 HydrophobicContact CE2-CB 3.77Å; Y132-L145 HydrophobicContact CD2-CD2 3.72Å; Y132-L145 HydrophobicContact CD2-CG 4.49Å; Y132-L145 HydrophobicContact CG-CD2 4.26Å; Y132-V186 HydrophobicContact CD1-CG1 4.39Å; Y132-V186 HydrophobicContact CD2-CG1 3.53Å; Y132-V186 HydrophobicContact CD2-CG2 4.26Å; Y132-V186 HydrophobicContact CE1-CG1 4.37Å; Y132-V186 HydrophobicContact CE2-CB 4.2Å; Y132-V186 HydrophobicContact CE2-CG1 3.49Å; Y132-V186 VanDerWaalsContact CE2-CG1 3.49Å; Y132-V186 HydrophobicContact CE2-CG2 3.51Å; Y132-V186 HydrophobicContact CG-CG1 3.99Å |
| 133 | T | 95.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 119.3 | 173.5 | -56.4 | 0 | 0 | 0 | 0 | 107.4 | D137 H138 A144 | T133-D137 HydrophobicContact CG2-CB 3.72Å; T133-H138 HydrophobicContact CG2-CB 3.95Å; T133-A144 PolarHBondContact N-O 3.23Å; T133-A144 PolarHBondContact O-N 3.07Å |
| 134 | P | 95 | Very high | 93.3 | Very high | 42 Ų | 42 | 56.9 Ų | 56.9 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -65.3 | 166.4 | -177.6 | 28.9 | -35.1 | 0 | 0 | 0 | 111.4 | Y132 E136 D137 H138 | Y132-P134 HydrophobicContact CE1-CB 4.21Å; P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 3.32Å; P134-D137 HydrophobicContact CG-CB 4.09Å; P134-D137 VanDerWaalsContact CG-OD2 3.25Å; P134-D137 WeakPolarHBondContact CG-OD2 3.13Å; P134-D137 PolarHBondContact O-N 3.13Å; P134-H138 PolarHBondContact O-N 3.47Å | ||
| 135 | K | 93 | Very high | 93.3 | Very high | 71 Ų | 71 | 56.4 Ų | 56.4 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.5 | -43.2 | -178.8 | -76.7 | 174.4 | 167.5 | 168.4 | 0 | 112.5 | H138 N139 G140 A143 D183 | K135-H138 PolarHBondContact O-N 3.34Å; K135-N139 PolarHBondContact O-N 3.26Å; K135-G140 WeakPolarHBondContact O-CA 3.33Å; K135-G140 PolarHBondContact O-N 2.92Å; K135-A143 HydrophobicContact CG-CB 4.07Å; K135-D183 WeakPolarHBondContact CD-OD1 3.44Å; K135-D183 WeakPolarHBondContact CD-OD2 3.12Å; K135-D183 WeakPolarHBondContact CE-OD1 3.43Å; K135-D183 WeakPolarHBondContact CE-OD2 3.01Å; K135-D183 IonicContact NZ-OD1 3.68Å; K135-D183 PolarHBondContact NZ-OD1 2.92Å; K135-D183 IonicContact NZ-OD2 3.13Å; K135-D183 PolarHBondContact NZ-OD2 3.29Å |
| 136 | E | 92.6 | Very high | 93.4 | Very high | 177 Ų | 177 | 54 Ų | 54 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | -177 | -62.7 | 175.3 | -171.8 | 0 | 0 | 111.7 | P134 | P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 3.32Å |
| 137 | D | 92.5 | Very high | 93.6 | Very high | 122 Ų | 122 | 50.9 Ų | 50.9 | 65% | 0.652 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -80 | -17.9 | -176.1 | -67.7 | -24.5 | 0 | 0 | 0 | 114.4 | T133 P134 | T133-D137 HydrophobicContact CG2-CB 3.72Å; P134-D137 HydrophobicContact CG-CB 4.09Å; P134-D137 VanDerWaalsContact CG-OD2 3.25Å; P134-D137 WeakPolarHBondContact CG-OD2 3.13Å; P134-D137 PolarHBondContact O-N 3.13Å |
| 138 | H | 87.4 | Confident | 93.6 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 22% | 0.218 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -92 | -74.3 | -174.1 | -178.6 | -117.5 | 0 | 0 | 0 | 112.8 | T133 P134 K135 I142 A144 H180 | T133-H138 HydrophobicContact CG2-CB 3.95Å; P134-H138 PolarHBondContact O-N 3.47Å; K135-H138 PolarHBondContact O-N 3.34Å; H138-I142 PolarHBondContact ND1-O 2.92Å; H138-I142 VanDerWaalsContact ND1-O 3.16Å; H138-A144 HydrophobicContact CB-CB 4.26Å; H138-H180 AromaticContact CE1-CD2 3.66Å; H138-H180 AromaticContact CE1-NE2 3.53Å |
| 139 | N | 80 | Confident | 93.5 | Very high | 112 Ų | 112 | 50.3 Ų | 50.3 | 60% | 0.599 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.6 | 9.9 | -174.5 | -78.9 | -24.8 | 0 | 0 | 0 | 111.9 | K135 K141 | K135-N139 PolarHBondContact O-N 3.26Å; N139-K141 PolarHBondContact O-N 2.88Å |
| 140 | G | 82.5 | Confident | 93.4 | Very high | 56 Ų | 56 | 53.4 Ų | 53.4 | 58% | 0.577 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 71.4 | -14.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116 | K135 | K135-G140 WeakPolarHBondContact O-CA 3.33Å; K135-G140 PolarHBondContact O-N 2.92Å |
| 141 | K | 89 | Confident | 93.4 | Very high | 176 Ų | 176 | 54.9 Ų | 54.9 | 77% | 0.765 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -107.7 | -47.7 | -173.5 | -62.3 | -174.6 | -179.3 | -175.7 | 0 | 114.3 | N139 | N139-K141 PolarHBondContact O-N 2.88Š|
| 142 | I | 91.9 | Very high | 93.4 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -138.4 | 137.2 | -171.3 | -51.1 | 176.7 | 0 | 0 | 0 | 108.7 | H138 H180 V181 | H138-I142 PolarHBondContact ND1-O 2.92Å; H138-I142 VanDerWaalsContact ND1-O 3.16Å; I142-H180 HydrophobicContact CB-CB 4.46Å; I142-H180 HydrophobicContact CG2-CB 3.85Å; I142-V181 WeakPolarHBondContact CG2-O 3.25Å |
| 143 | A | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 160 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | Y132 K135 H180 V181 | Y132-A143 HydrophobicContact CE2-CB 3.77Å; K135-A143 HydrophobicContact CG-CB 4.07Å; A143-H180 WeakPolarHBondContact O-CA 3.47Å; A143-V181 PolarHBondContact N-O 2.74Å; A143-V181 PolarHBondContact O-N 2.84Å |
| 144 | A | 95.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T133 H138 I178 F179 | T133-A144 PolarHBondContact N-O 3.23Å; T133-A144 PolarHBondContact O-N 3.07Å; H138-A144 HydrophobicContact CB-CB 4.26Å; A144-I178 HydrophobicContact CB-CG2 3.64Å; A144-F179 WeakPolarHBondContact CA-O 3.48Å |
| 145 | L | 96.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 126.3 | 165.3 | -73.2 | -179.7 | 0 | 0 | 0 | 109.4 | V97 V129 Y132 I178 F179 V181 I187 | V97-L145 HydrophobicContact CB-CD1 4.16Å; V97-L145 HydrophobicContact CG2-CB 4.37Å; V97-L145 HydrophobicContact CG2-CD1 4.05Å; V129-L145 HydrophobicContact CG1-CD2 3.95Å; Y132-L145 HydrophobicContact CD2-CD2 3.72Å; Y132-L145 HydrophobicContact CD2-CG 4.49Å; Y132-L145 HydrophobicContact CG-CD2 4.26Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.31Å; L145-F179 PolarHBondContact N-O 3.05Å; L145-F179 PolarHBondContact O-N 2.98Å; L145-V181 HydrophobicContact CB-CG2 4.19Å; L145-V181 HydrophobicContact CD1-CB 4.37Å; L145-V181 HydrophobicContact CD1-CG1 4.08Å; L145-V181 HydrophobicContact CD1-CG2 4.03Å; L145-V181 HydrophobicContact CG-CB 4.41Å; L145-V181 HydrophobicContact CG-CG2 4.18Å; L145-I187 HydrophobicContact CD1-CB 4.26Å; L145-I187 HydrophobicContact CD1-CG1 4.43Å |
| 146 | T | 97.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 57.6 Ų | 57.6 | 6% | 0.055 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 121.1 | 172 | -56.2 | 0 | 0 | 0 | 0 | 108.8 | L130 K131 H176 | L130-T146 HydrophobicContact CB-CG2 4.4Å; L130-T146 WeakPolarHBondContact CB-O 3.2Å; L130-T146 HydrophobicContact CD1-CG2 4.31Å; L130-T146 PolarHBondContact N-O 3.07Å; K131-T146 WeakPolarHBondContact CE-OG1 2.94Å; K131-T146 VanDerWaalsContact CG-CB 3.47Å; K131-T146 HydrophobicContact CG-CG2 4.29Å; K131-T146 WeakPolarHBondContact CG-OG1 3.36Å; K131-T146 PolarHBondContact N-O 2.82Å; K131-T146 PolarHBondContact O-N 3.18Å; T146-H176 HydrophobicContact CG2-CB 3.97Å |
| 147 | V | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.2 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | V97 I100 C127 H128 H176 K177 F179 L193 | V97-V147 HydrophobicContact CG2-CG2 3.62Å; I100-V147 HydrophobicContact CD1-CG1 4.33Å; I100-V147 WeakPolarHBondContact CD1-O 3.44Å; I100-V147 HydrophobicContact CG1-CG1 4.36Å; C127-V147 WeakPolarHBondContact SG-CG1 3.33Å; H128-V147 WeakPolarHBondContact O-CA 3.33Å; V147-H176 CarbonylContact O-C 3.51Å; V147-H176 VanDerWaalsContact O-CA 3.31Å; V147-H176 WeakPolarHBondContact O-CA 3.39Å; V147-K177 PolarHBondContact N-O 3.42Å; V147-K177 PolarHBondContact O-N 3.5Å; V147-F179 HydrophobicContact CB-CD2 4Å; V147-F179 HydrophobicContact CB-CE2 3.8Å; V147-F179 HydrophobicContact CG1-CE2 4.46Å; V147-F179 HydrophobicContact CG2-CD2 3.7Å; V147-F179 HydrophobicContact CG2-CE2 3.92Å; V147-L193 HydrophobicContact CG1-CD1 4.01Å; V147-L193 HydrophobicContact CG2-CD1 4.15Å |
| 148 | G | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 144.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C127 H128 I175 | C127-G148 WeakPolarHBondContact CA-O 3.45Å; H128-G148 PolarHBondContact N-O 3.15Å; H128-G148 VanDerWaalsContact N-O 3.07Å; H128-G148 PolarHBondContact O-N 2.79Å; G148-I175 WeakPolarHBondContact CA-O 3.31Å |
| 149 | G | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 152.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q174 I175 | G149-Q174 PolarHBondContact O-N 2.98Å; G149-I175 PolarHBondContact N-O 3.03Å |
| 150 | K | 95.6 | Very high | 94.6 | Very high | 64 Ų | 64 | 51.2 Ų | 51.2 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.7 | 115.4 | -175.4 | 177.3 | 172.1 | 172 | -162.9 | 0 | 114 | L102 Q125 K173 Q174 L296 | L102-K150 HydrophobicContact CD1-CD 4.36Å; Q125-K150 PolarHBondContact O-N 3.5Å; Q125-K150 VanDerWaalsContact O-N 3.07Å; K150-K173 CarbonylContact O-C 3.59Å; K150-K173 WeakPolarHBondContact O-CA 3.19Å; K150-Q174 HydrophobicContact CB-CB 4.39Å; K150-Q174 VanDerWaalsContact CD-OE1 3.22Å; K150-Q174 VanDerWaalsContact CE-OE1 3.22Å; K150-Q174 HydrophobicContact CG-CB 4.47Å; K150-Q174 PolarHBondContact O-N 3.22Å; K150-L296 HydrophobicContact CB-CD1 4.12Å; K150-L296 HydrophobicContact CB-CD2 3.83Å; K150-L296 HydrophobicContact CD-CD1 4.33Å; K150-L296 HydrophobicContact CD-CD2 4.34Å |
| 151 | T | 96.7 | Very high | 95.2 | Very high | 35 Ų | 35 | 52.9 Ų | 52.9 | 22% | 0.215 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 140.6 | 176.3 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | D126 P171 P172 K173 | D126-T151 WeakPolarHBondContact CB-OG1 3.4Å; D126-T151 WeakPolarHBondContact OD2-CB 3.42Å; D126-T151 PolarHBondContact OD2-OG1 3.44Å; T151-P171 HydrophobicContact CG2-CB 3.68Å; T151-P171 HydrophobicContact CG2-CG 3.74Å; T151-P172 WeakPolarHBondContact CA-O 3.21Å; T151-K173 PolarHBondContact OG1-NZ 3.32Å |
| 152 | V | 96.1 | Very high | 95.5 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 17% | 0.17 | 24% | 0.237 | C | C | . | . | trans | -131.8 | 156.2 | 179.3 | -70.1 | 0 | 0 | 0 | 0 | 110.6 | R154 P172 Q174 | V152-R154 PolarHBondContact O-N 3.33Å; V152-P172 HydrophobicContact CG2-CB 4.17Å; V152-P172 WeakPolarHBondContact CG2-O 3.36Å; V152-P172 PolarHBondContact N-O 3.39Å; V152-Q174 HydrophobicContact CG1-CB 3.5Å; V152-Q174 HydrophobicContact CG1-CG 3.92Å | ||
| 153 | S | 95.2 | Very high | 95.7 | Very high | 47 Ų | 47 | 48.9 Ų | 48.9 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | trans | -57.9 | 134.9 | 176 | 174.2 | 0 | 0 | 0 | 0 | 111.7 | F155 | S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 WeakPolarHBondContact OG-CD2 3.45Å; S153-F155 PolarHBondContact OG-N 3.3Å | ||
| 154 | R | 94.5 | Very high | 95.8 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 19% | 0.185 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -69.6 | -27.9 | 177.2 | 58.1 | -175.6 | 67.5 | -157.5 | 1 | 112.9 | V65 E68 N69 V152 Y156 K157 L162 P172 | V65-R154 HydrophobicContact CG1-CG 4.18Å; E68-R154 IonicContact OE1-CZ 3.98Å; E68-R154 IonicContact OE1-NH1 2.89Å; E68-R154 PolarHBondContact OE1-NH1 2.72Å; E68-R154 IonicContact OE1-NH2 3.24Å; E68-R154 PolarHBondContact OE1-NH2 2.8Å; E68-R154 IonicContact OE2-CZ 3.74Å; E68-R154 IonicContact OE2-NH1 2.86Å; E68-R154 PolarHBondContact OE2-NH1 2.89Å; E68-R154 IonicContact OE2-NH2 3.22Å; N69-R154 PolarHBondContact OD1-NH2 3.2Å; V152-R154 PolarHBondContact O-N 3.33Å; R154-Y156 PolarHBondContact O-N 3.12Å; R154-Y156 VanDerWaalsContact O-N 3.08Å; R154-K157 PolarHBondContact O-N 2.68Å; R154-K157 VanDerWaalsContact O-N 3.16Å; R154-L162 HydrophobicContact CB-CD2 3.73Å; R154-P172 HydrophobicContact CB-CG 4.06Å |
| 155 | F | 94.1 | Very high | 95.8 | Very high | 65 Ų | 65 | 52.5 Ų | 52.5 | 29% | 0.285 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -62.9 | -20 | -174.9 | -57 | -57.6 | 0 | 0 | 0 | 115.3 | W49 V61 V65 S153 | W49-F155 HydrophobicContact CB-CB 3.99Å; W49-F155 HydrophobicContact CB-CD1 3.81Å; W49-F155 HydrophobicContact CB-CG 4.06Å; W49-F155 AromaticContact CD1-CG 3.96Å; W49-F155 HydrophobicContact CD2-CB 4.14Å; W49-F155 AromaticContact CD2-CD1 3.86Å; W49-F155 HydrophobicContact CD2-CD1 3.86Å; W49-F155 AromaticContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CD2 3.78Å; W49-F155 HydrophobicContact CD2-CE1 4.17Å; W49-F155 HydrophobicContact CD2-CE2 4.11Å; W49-F155 AromaticContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CG 3.66Å; W49-F155 HydrophobicContact CD2-CZ 4.29Å; W49-F155 AromaticContact CE2-CD2 3.86Å; W49-F155 HydrophobicContact CE3-CD1 4.01Å; W49-F155 HydrophobicContact CE3-CD2 4.14Å; W49-F155 AromaticContact CE3-CE1 3.83Å; W49-F155 HydrophobicContact CE3-CE1 3.83Å; W49-F155 AromaticContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CE2 4Å; W49-F155 HydrophobicContact CE3-CG 4.17Å; W49-F155 AromaticContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CE3-CZ 3.83Å; W49-F155 HydrophobicContact CG-CB 3.57Å; W49-F155 AromaticContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD1 3.77Å; W49-F155 HydrophobicContact CG-CD2 4.15Å; W49-F155 HydrophobicContact CG-CE1 4.49Å; W49-F155 AromaticContact CG-CG 3.57Å; W49-F155 HydrophobicContact CG-CG 3.57Å; W49-F155 HydrophobicContact CH2-CE2 4.28Å; W49-F155 HydrophobicContact CZ2-CD2 4.3Å; W49-F155 HydrophobicContact CZ2-CE2 4.39Å; W49-F155 HydrophobicContact CZ3-CE1 4.48Å; W49-F155 HydrophobicContact CZ3-CE2 4.08Å; W49-F155 HydrophobicContact CZ3-CZ 4.04Å; V61-F155 HydrophobicContact CG1-CE1 4.32Å; V61-F155 HydrophobicContact CG1-CZ 3.84Å; V65-F155 HydrophobicContact CB-CZ 4.42Å; V65-F155 HydrophobicContact CG2-CE1 4.41Å; V65-F155 HydrophobicContact CG2-CZ 3.75Å; S153-F155 VanDerWaalsContact C-N 3.33Å; S153-F155 WeakPolarHBondContact OG-CD2 3.45Å; S153-F155 PolarHBondContact OG-N 3.3Å |
| 156 | Y | 94.1 | Very high | 95.8 | Very high | 166 Ų | 166 | 60.6 Ų | 60.6 | 65% | 0.651 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -108.5 | 15.1 | -177.3 | -55.6 | -77.7 | 0 | 0 | 0 | 112.8 | R154 | R154-Y156 PolarHBondContact O-N 3.12Å; R154-Y156 VanDerWaalsContact O-N 3.08Å |
| 157 | K | 95 | Very high | 95.7 | Very high | 48 Ų | 48 | 66.4 Ų | 66.4 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -107.8 | 147.1 | -178.4 | -60.8 | -52.6 | -179.8 | -164.9 | 0 | 110.5 | R154 L162 P172 | R154-K157 PolarHBondContact O-N 2.68Å; R154-K157 VanDerWaalsContact O-N 3.16Å; K157-L162 HydrophobicContact CB-CD2 3.89Å; K157-L162 HydrophobicContact CB-CG 4.21Å; K157-P172 HydrophobicContact CG-CB 4.21Å |
| 158 | P | 95.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 67.8 Ų | 67.8 | 46% | 0.461 | 33% | 0.329 | S | S | . | . | trans | -67.4 | 150 | 175.3 | 29.8 | -35.1 | 0 | 0 | 0 | 110.5 | S160 R161 L162 | P158-S160 VanDerWaalsContact C-N 3.3Å; P158-S160 PolarHBondContact O-N 2.95Å; P158-R161 HydrophobicContact CG-CB 3.95Å; P158-R161 WeakPolarHBondContact O-CB 3.34Å; P158-R161 PolarHBondContact O-N 3.15Å; P158-L162 PolarHBondContact O-N 3.39Å | ||
| 159 | D | 94.4 | Very high | 95.4 | Very high | 119 Ų | 119 | 68.8 Ų | 68.8 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -55.1 | -42.6 | -175.9 | -60.2 | -26.9 | 0 | 0 | 0 | 112.7 | R161 L162 E163 | D159-R161 PolarHBondContact O-N 3.45Å; D159-R161 VanDerWaalsContact O-N 3.12Å; D159-L162 CarbonylContact O-C 3.57Å; D159-L162 WeakPolarHBondContact O-CA 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.37Å; D159-L162 PolarHBondContact O-N 3.4Å; D159-E163 WeakPolarHBondContact O-CG 3.28Å; D159-E163 PolarHBondContact O-N 3.02Å |
| 160 | S | 96 | Very high | 95.4 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 59% | 0.594 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.2 | -30.3 | 177.1 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | P158 F164 | P158-S160 VanDerWaalsContact C-N 3.3Å; P158-S160 PolarHBondContact O-N 2.95Å; S160-F164 PolarHBondContact O-N 3.49Å |
| 161 | R | 94.5 | Very high | 95.5 | Very high | 91 Ų | 91 | 65.9 Ų | 65.9 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -77.5 | -37.6 | 173.5 | -177.2 | 170.7 | -66.3 | 166.4 | 5.1 | 110.7 | P158 D159 F164 Y165 | P158-R161 HydrophobicContact CG-CB 3.95Å; P158-R161 WeakPolarHBondContact O-CB 3.34Å; P158-R161 PolarHBondContact O-N 3.15Å; D159-R161 PolarHBondContact O-N 3.45Å; D159-R161 VanDerWaalsContact O-N 3.12Å; R161-F164 PolarHBondContact O-N 2.86Å; R161-Y165 HydrophobicContact CG-CD2 3.74Å; R161-Y165 HydrophobicContact CG-CE2 3.74Å; R161-Y165 WeakPolarHBondContact O-CD2 3.44Å; R161-Y165 PolarHBondContact O-N 2.83Å; R161-Y165 VanDerWaalsContact O-N 3.14Å |
| 162 | L | 95 | Very high | 95.5 | Very high | 51 Ų | 51 | 64.3 Ų | 64.3 | 27% | 0.267 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 177.9 | -63.8 | 180 | 0 | 0 | 0 | 111.6 | R154 K157 P158 D159 Y165 R166 P172 | R154-L162 HydrophobicContact CB-CD2 3.73Å; K157-L162 HydrophobicContact CB-CD2 3.89Å; K157-L162 HydrophobicContact CB-CG 4.21Å; P158-L162 PolarHBondContact O-N 3.39Å; D159-L162 CarbonylContact O-C 3.57Å; D159-L162 WeakPolarHBondContact O-CA 3.35Å; D159-L162 WeakPolarHBondContact O-CB 3.37Å; D159-L162 PolarHBondContact O-N 3.4Å; L162-Y165 PolarHBondContact O-N 2.92Å; L162-R166 WeakPolarHBondContact O-CB 3.39Å; L162-R166 PolarHBondContact O-N 2.92Å; L162-P172 HydrophobicContact CD2-CG 3.84Å |
| 163 | E | 96.6 | Very high | 95.5 | Very high | 97 Ų | 97 | 63 Ų | 63 | 45% | 0.453 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -56.7 | -50.9 | 174 | -69.1 | 174.9 | 166.7 | 0 | 0 | 111.2 | D159 Y165 R166 D167 | D159-E163 WeakPolarHBondContact O-CG 3.28Å; D159-E163 PolarHBondContact O-N 3.02Å; E163-Y165 VanDerWaalsContact C-N 3.27Å; E163-Y165 PolarHBondContact O-N 2.97Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.18Å; E163-R166 VanDerWaalsContact O-N 3.13Å; E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.79Å |
| 164 | F | 96.7 | Very high | 95.6 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 32% | 0.32 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.7 | -41.3 | 175.9 | 173.5 | -95.7 | 0 | 0 | 0 | 113.1 | L130 K131 S160 R161 L168 | L130-F164 HydrophobicContact CB-CE1 4.13Å; L130-F164 HydrophobicContact CB-CZ 4.03Å; K131-F164 HydrophobicContact CB-CZ 4.4Å; S160-F164 PolarHBondContact O-N 3.49Å; R161-F164 PolarHBondContact O-N 2.86Å; F164-L168 HydrophobicContact CE1-CD2 4.38Å; F164-L168 PolarHBondContact O-N 2.89Å |
| 165 | Y | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -75.6 | -32.7 | 179.7 | -88.3 | -67 | 0 | 0 | 0 | 113.4 | L130 R161 L162 E163 L168 G169 L170 P171 P172 K173 H176 | L130-Y165 WeakPolarHBondContact CD1-OH 3.34Å; L130-Y165 HydrophobicContact CD2-CE1 3.74Å; R161-Y165 HydrophobicContact CG-CD2 3.74Å; R161-Y165 HydrophobicContact CG-CE2 3.74Å; R161-Y165 WeakPolarHBondContact O-CD2 3.44Å; R161-Y165 PolarHBondContact O-N 2.83Å; R161-Y165 VanDerWaalsContact O-N 3.14Å; L162-Y165 PolarHBondContact O-N 2.92Å; E163-Y165 VanDerWaalsContact C-N 3.27Å; E163-Y165 PolarHBondContact O-N 2.97Å; Y165-L168 PolarHBondContact O-N 2.94Å; Y165-G169 PolarHBondContact O-N 3.04Å; Y165-L170 WeakPolarHBondContact CB-O 3.44Å; Y165-L170 HydrophobicContact CD1-CB 4.19Å; Y165-L170 VanDerWaalsContact CD1-O 3.27Å; Y165-L170 WeakPolarHBondContact CD1-O 3.36Å; Y165-L170 PolarHBondContact O-N 2.87Å; Y165-P171 WeakPolarHBondContact CE1-O 3.25Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.04Å; Y165-P172 HydrophobicContact CE2-CB 3.98Å; Y165-P172 HydrophobicContact CG-CB 4.3Å; Y165-P172 HydrophobicContact CG-CG 4.21Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 VanDerWaalsContact OH-CB 3.29Å; Y165-K173 WeakPolarHBondContact OH-CB 3.27Å; Y165-K173 WeakPolarHBondContact OH-CG 3.47Å; Y165-K173 PolarHBondContact OH-N 2.77Å; Y165-K173 VanDerWaalsContact OH-N 3.16Å; Y165-H176 AromaticContact CE2-NE2 3.94Å; Y165-H176 AromaticContact CZ-NE2 3.8Å; Y165-H176 PolarHBondContact OH-CE1 2.81Å; Y165-H176 PolarHBondContact OH-NE2 3.33Å |
| 166 | R | 95.1 | Very high | 95.7 | Very high | 171 Ų | 171 | 64.6 Ų | 64.6 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 173.8 | -178.4 | -179.3 | 64.9 | -158.3 | -3.1 | 110.6 | L162 E163 L168 G169 | L162-R166 WeakPolarHBondContact O-CB 3.39Å; L162-R166 PolarHBondContact O-N 2.92Å; E163-R166 WeakPolarHBondContact O-CB 3.49Å; E163-R166 PolarHBondContact O-N 3.18Å; E163-R166 VanDerWaalsContact O-N 3.13Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 2.85Å; R166-G169 PolarHBondContact O-N 2.87Å |
| 167 | D | 95.7 | Very high | 95.9 | Very high | 130 Ų | 130 | 59.8 Ų | 59.8 | 70% | 0.695 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -66.1 | -32.3 | 179.7 | -60.6 | -12.2 | 0 | 0 | 0 | 111.8 | E163 | E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.79Å |
| 168 | L | 94.8 | Very high | 96 | Very high | 29 Ų | 29 | 61.1 Ų | 61.1 | 15% | 0.152 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.7 | -20.7 | 176.7 | -168.6 | 63.5 | 0 | 0 | 0 | 113.4 | L130 F164 Y165 R166 L170 P189 | L130-L168 HydrophobicContact CB-CD2 4.35Å; L130-L168 HydrophobicContact CD2-CD2 3.78Å; F164-L168 HydrophobicContact CE1-CD2 4.38Å; F164-L168 PolarHBondContact O-N 2.89Å; Y165-L168 PolarHBondContact O-N 2.94Å; R166-L168 VanDerWaalsContact C-N 3.27Å; R166-L168 PolarHBondContact O-N 2.85Å; L168-L170 HydrophobicContact CD2-CB 4.39Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CD2-CG 4.48Å; L168-L170 HydrophobicContact CG-CB 4.48Å; L168-L170 HydrophobicContact CG-CD1 4.1Å; L168-L170 HydrophobicContact CG-CG 4.4Å; L168-P189 HydrophobicContact CD1-CB 3.93Å |
| 169 | G | 94.9 | Very high | 96 | Very high | 22 Ų | 22 | 58 Ų | 58 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | 33.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y165 R166 | Y165-G169 PolarHBondContact O-N 3.04Å; R166-G169 PolarHBondContact O-N 2.87Å |
| 170 | L | 95.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | trans | -128.6 | 150.5 | 179.4 | -79.6 | 176.7 | 0 | 0 | 0 | 111.4 | L73 K76 H128 Y165 L168 | L73-L170 HydrophobicContact CD2-CD2 4.29Å; K76-L170 HydrophobicContact CB-CD2 4.32Å; K76-L170 HydrophobicContact CG-CD2 3.84Å; K76-L170 HydrophobicContact CG-CG 4.41Å; H128-L170 HydrophobicContact CB-CD1 3.7Å; Y165-L170 WeakPolarHBondContact CB-O 3.44Å; Y165-L170 HydrophobicContact CD1-CB 4.19Å; Y165-L170 VanDerWaalsContact CD1-O 3.27Å; Y165-L170 WeakPolarHBondContact CD1-O 3.36Å; Y165-L170 PolarHBondContact O-N 2.87Å; L168-L170 HydrophobicContact CD2-CB 4.39Å; L168-L170 HydrophobicContact CD2-CD1 3.81Å; L168-L170 HydrophobicContact CD2-CG 4.48Å; L168-L170 HydrophobicContact CG-CB 4.48Å; L168-L170 HydrophobicContact CG-CD1 4.1Å; L168-L170 HydrophobicContact CG-CG 4.4Å | ||
| 171 | P | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -72.6 | 151 | 173.6 | 32.1 | -37.2 | 0 | 0 | 0 | 111.3 | N69 L73 T151 Y165 K173 | N69-P171 HydrophobicContact CB-CB 4.4Å; N69-P171 WeakPolarHBondContact OD1-CB 3.37Å; L73-P171 HydrophobicContact CD1-CG 4.37Å; L73-P171 HydrophobicContact CD2-CG 3.83Å; L73-P171 HydrophobicContact CG-CG 4Å; T151-P171 HydrophobicContact CG2-CB 3.68Å; T151-P171 HydrophobicContact CG2-CG 3.74Å; Y165-P171 WeakPolarHBondContact CE1-O 3.25Å; P171-K173 VanDerWaalsContact O-CE 3.3Å; P171-K173 WeakPolarHBondContact O-CE 3.45Å | ||
| 172 | P | 97.3 | Very high | 96.1 | Very high | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 24% | 0.24 | C | C | . | . | trans | -58.8 | 141.9 | -177.3 | -26 | 35.3 | 0 | 0 | 0 | 113.6 | T151 V152 R154 K157 L162 Y165 | T151-P172 WeakPolarHBondContact CA-O 3.21Å; V152-P172 HydrophobicContact CG2-CB 4.17Å; V152-P172 WeakPolarHBondContact CG2-O 3.36Å; V152-P172 PolarHBondContact N-O 3.39Å; R154-P172 HydrophobicContact CB-CG 4.06Å; K157-P172 HydrophobicContact CG-CB 4.21Å; L162-P172 HydrophobicContact CD2-CG 3.84Å; Y165-P172 HydrophobicContact CD2-CB 3.83Å; Y165-P172 HydrophobicContact CD2-CG 4.04Å; Y165-P172 HydrophobicContact CE2-CB 3.98Å; Y165-P172 HydrophobicContact CG-CB 4.3Å; Y165-P172 HydrophobicContact CG-CG 4.21Å | ||
| 173 | K | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 153.9 | 179.2 | -50.7 | -62.1 | 175 | 177.1 | 0 | 112.1 | D126 L130 K150 T151 Y165 P171 | D126-K173 VanDerWaalsContact CB-NZ 3.29Å; D126-K173 PolarHBondContact O-NZ 2.87Å; L130-K173 HydrophobicContact CD2-CG 4.47Å; K150-K173 CarbonylContact O-C 3.59Å; K150-K173 WeakPolarHBondContact O-CA 3.19Å; T151-K173 PolarHBondContact OG1-NZ 3.32Å; Y165-K173 HydrophobicContact CE1-CG 4.05Å; Y165-K173 VanDerWaalsContact OH-CB 3.29Å; Y165-K173 WeakPolarHBondContact OH-CB 3.27Å; Y165-K173 WeakPolarHBondContact OH-CG 3.47Å; Y165-K173 PolarHBondContact OH-N 2.77Å; Y165-K173 VanDerWaalsContact OH-N 3.16Å; P171-K173 VanDerWaalsContact O-CE 3.3Å; P171-K173 WeakPolarHBondContact O-CE 3.45Å |
| 174 | Q | 96.3 | Very high | 95.9 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | -46.9 | -175.9 | -168.7 | 175.9 | -24.7 | 0 | 0 | 112 | G149 K150 V152 L296 | G149-Q174 PolarHBondContact O-N 2.98Å; K150-Q174 HydrophobicContact CB-CB 4.39Å; K150-Q174 VanDerWaalsContact CD-OE1 3.22Å; K150-Q174 VanDerWaalsContact CE-OE1 3.22Å; K150-Q174 HydrophobicContact CG-CB 4.47Å; K150-Q174 PolarHBondContact O-N 3.22Å; V152-Q174 HydrophobicContact CG1-CB 3.5Å; V152-Q174 HydrophobicContact CG1-CG 3.92Å; Q174-L296 HydrophobicContact CB-CD1 3.73Å; Q174-L296 HydrophobicContact CG-CD1 3.97Å |
| 175 | I | 95.6 | Very high | 95.7 | Very high | 50 Ų | 50 | 43.7 Ų | 43.7 | 26% | 0.256 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.9 | -175.8 | -66.2 | -172.1 | 0 | 0 | 0 | 109 | G148 G149 K177 L296 | G148-I175 WeakPolarHBondContact CA-O 3.31Å; G149-I175 PolarHBondContact N-O 3.03Å; I175-K177 HydrophobicContact CG2-CD 4.12Å; I175-K177 HydrophobicContact CG2-CG 3.98Å; I175-L296 HydrophobicContact CB-CD1 4.02Å; I175-L296 HydrophobicContact CD1-CB 3.65Å; I175-L296 HydrophobicContact CD1-CD1 3.68Å; I175-L296 HydrophobicContact CD1-CG 4.31Å; I175-L296 HydrophobicContact CG1-CB 4.46Å; I175-L296 HydrophobicContact CG1-CD1 3.64Å |
| 176 | H | 96.2 | Very high | 95.6 | Very high | 63 Ų | 63 | 44.4 Ų | 44.4 | 29% | 0.292 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 137.2 | 169.1 | -47.8 | 168.3 | 0 | 0 | 0 | 108.5 | L130 T146 V147 Y165 | L130-H176 HydrophobicContact CD1-CB 4.33Å; T146-H176 HydrophobicContact CG2-CB 3.97Å; V147-H176 CarbonylContact O-C 3.51Å; V147-H176 VanDerWaalsContact O-CA 3.31Å; V147-H176 WeakPolarHBondContact O-CA 3.39Å; Y165-H176 AromaticContact CE2-NE2 3.94Å; Y165-H176 AromaticContact CZ-NE2 3.8Å; Y165-H176 PolarHBondContact OH-CE1 2.81Å; Y165-H176 PolarHBondContact OH-NE2 3.33Å |
| 177 | K | 97.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 28% | 0.283 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138.2 | 173.1 | -64.9 | -63.5 | -179.7 | -170.6 | 0 | 109.8 | I100 V147 I175 F179 K298 | I100-K177 HydrophobicContact CD1-CB 3.9Å; I100-K177 HydrophobicContact CD1-CG 3.83Å; I100-K177 HydrophobicContact CG1-CB 4.31Å; I100-K177 HydrophobicContact CG1-CG 4.2Å; V147-K177 PolarHBondContact N-O 3.42Å; V147-K177 PolarHBondContact O-N 3.5Å; I175-K177 HydrophobicContact CG2-CD 4.12Å; I175-K177 HydrophobicContact CG2-CG 3.98Å; K177-F179 HydrophobicContact CB-CE2 3.97Å; K177-F179 HydrophobicContact CB-CZ 4.46Å; K177-K298 HydrophobicContact CB-CD 4.1Å; K177-K298 HydrophobicContact CB-CG 4.26Å; K177-K298 HydrophobicContact CD-CD 4.39Å; K177-K298 HydrophobicContact CG-CB 4.21Å; K177-K298 HydrophobicContact CG-CD 4.24Å; K177-K298 HydrophobicContact CG-CG 4.24Å |
| 178 | I | 97 | Very high | 95.6 | Very high | 76 Ų | 76 | 32.3 Ų | 32.3 | 39% | 0.39 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 132.2 | 174.3 | -58.9 | 171 | 0 | 0 | 0 | 108.2 | A144 L145 K298 | A144-I178 HydrophobicContact CB-CG2 3.64Å; L145-I178 CarbonylContact O-C 3.56Å; L145-I178 WeakPolarHBondContact O-CA 3.31Å; I178-K298 PolarHBondContact O-NZ 2.91Å |
| 179 | F | 97 | Very high | 95.6 | Very high | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.022 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.4 | 171.2 | -67 | -90.6 | 0 | 0 | 0 | 108.3 | I100 A144 L145 V147 K177 V181 K298 I299 K300 | I100-F179 HydrophobicContact CG1-CE2 4.5Å; A144-F179 WeakPolarHBondContact CA-O 3.48Å; L145-F179 PolarHBondContact N-O 3.05Å; L145-F179 PolarHBondContact O-N 2.98Å; V147-F179 HydrophobicContact CB-CD2 4Å; V147-F179 HydrophobicContact CB-CE2 3.8Å; V147-F179 HydrophobicContact CG1-CE2 4.46Å; V147-F179 HydrophobicContact CG2-CD2 3.7Å; V147-F179 HydrophobicContact CG2-CE2 3.92Å; K177-F179 HydrophobicContact CB-CE2 3.97Å; K177-F179 HydrophobicContact CB-CZ 4.46Å; F179-V181 HydrophobicContact CB-CG2 4.15Å; F179-K298 VanDerWaalsContact CD1-CE 3.44Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.4Å; F179-K298 HydrophobicContact CZ-CD 4.12Å; F179-K298 HydrophobicContact CZ-CG 3.47Å; F179-K298 VanDerWaalsContact CZ-CG 3.47Å; F179-I299 VanDerWaalsContact CE1-O 3.32Å; F179-I299 WeakPolarHBondContact CE1-O 3.27Å; F179-K300 HydrophobicContact CD1-CB 4.33Å; F179-K300 HydrophobicContact CE1-CB 4.13Å |
| 180 | H | 95.5 | Very high | 95.6 | Very high | 99 Ų | 99 | 31.9 Ų | 31.9 | 46% | 0.458 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 127.4 | 173.9 | -58.5 | 167.4 | 0 | 0 | 0 | 107.5 | H138 I142 A143 | H138-H180 AromaticContact CE1-CD2 3.66Å; H138-H180 AromaticContact CE1-NE2 3.53Å; I142-H180 HydrophobicContact CB-CB 4.46Å; I142-H180 HydrophobicContact CG2-CB 3.85Å; A143-H180 WeakPolarHBondContact O-CA 3.47Å |
| 181 | V | 95.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 142.5 | -167.4 | 178.7 | 0 | 0 | 0 | 0 | 108.5 | F95 I142 A143 L145 F179 A185 | F95-V181 WeakPolarHBondContact O-CA 3.46Å; F95-V181 WeakPolarHBondContact O-CG1 3.34Å; I142-V181 WeakPolarHBondContact CG2-O 3.25Å; A143-V181 PolarHBondContact N-O 2.74Å; A143-V181 PolarHBondContact O-N 2.84Å; L145-V181 HydrophobicContact CB-CG2 4.19Å; L145-V181 HydrophobicContact CD1-CB 4.37Å; L145-V181 HydrophobicContact CD1-CG1 4.08Å; L145-V181 HydrophobicContact CD1-CG2 4.03Å; L145-V181 HydrophobicContact CG-CB 4.41Å; L145-V181 HydrophobicContact CG-CG2 4.18Å; F179-V181 HydrophobicContact CB-CG2 4.15Å; V181-A185 HydrophobicContact CG1-CB 3.45Å; V181-A185 VanDerWaalsContact CG1-CB 3.45Å; V181-A185 WeakPolarHBondContact CG1-O 3.26Å |
| 182 | T | 94.4 | Very high | 95.6 | Very high | 25 Ų | 25 | 32.7 Ų | 32.7 | 15% | 0.153 | 17% | 0.166 | C | C | . | . | trans | -77 | 158.6 | 174.7 | 46.5 | 0 | 0 | 0 | 0 | 111 | S94 F95 N184 A185 | S94-T182 WeakPolarHBondContact CA-OG1 3.47Å; F95-T182 HydrophobicContact CB-CG2 4.24Å; F95-T182 HydrophobicContact CD2-CG2 3.84Å; F95-T182 HydrophobicContact CG-CG2 4.46Å; F95-T182 PolarHBondContact N-OG1 3.22Å; F95-T182 PolarHBondContact O-N 2.81Å; F95-T182 VanDerWaalsContact O-N 3.07Å; F95-T182 PolarHBondContact O-OG1 2.96Å; T182-N184 WeakPolarHBondContact CB-OD1 3.12Å; T182-N184 PolarHBondContact O-N 2.87Å; T182-N184 PolarHBondContact OG1-OD1 2.85Å; T182-A185 PolarHBondContact O-N 2.66Å | ||
| 183 | D | 93.3 | Very high | 95.5 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 39% | 0.385 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -64 | -29.3 | -172.1 | -63.9 | -14.2 | 0 | 0 | 0 | 113 | K135 A185 V186 | K135-D183 WeakPolarHBondContact CD-OD1 3.44Å; K135-D183 WeakPolarHBondContact CD-OD2 3.12Å; K135-D183 WeakPolarHBondContact CE-OD1 3.43Å; K135-D183 WeakPolarHBondContact CE-OD2 3.01Å; K135-D183 IonicContact NZ-OD1 3.68Å; K135-D183 PolarHBondContact NZ-OD1 2.92Å; K135-D183 IonicContact NZ-OD2 3.13Å; K135-D183 PolarHBondContact NZ-OD2 3.29Å; D183-A185 PolarHBondContact O-N 2.86Å; D183-V186 VanDerWaalsContact O-CG2 3.22Å; D183-V186 WeakPolarHBondContact O-CG2 3.37Å |
| 184 | N | 94.1 | Very high | 95.5 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 11% | 0.107 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -73.5 | -12.6 | 174.6 | 65.3 | -28.9 | 0 | 0 | 0 | 113.9 | H88 S94 T182 F316 | H88-N184 HydrophobicContact CB-CB 3.74Å; S94-N184 PolarHBondContact OG-ND2 2.82Å; T182-N184 WeakPolarHBondContact CB-OD1 3.12Å; T182-N184 PolarHBondContact O-N 2.87Å; T182-N184 PolarHBondContact OG1-OD1 2.85Å; N184-F316 HydrophobicContact CB-CE1 4.42Å; N184-F316 HydrophobicContact CB-CZ 4.34Å; N184-F316 WeakPolarHBondContact ND2-CZ 3.5Å; N184-F316 VanDerWaalsContact O-CE1 3.3Å; N184-F316 WeakPolarHBondContact O-CE1 3.34Å |
| 185 | A | 94.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -106.9 | 16.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F95 R96 V181 T182 D183 F316 | F95-A185 VanDerWaalsContact O-CB 3.28Å; F95-A185 WeakPolarHBondContact O-CB 3.41Å; R96-A185 HydrophobicContact CB-CB 4.44Å; V181-A185 HydrophobicContact CG1-CB 3.45Å; V181-A185 VanDerWaalsContact CG1-CB 3.45Å; V181-A185 WeakPolarHBondContact CG1-O 3.26Å; T182-A185 PolarHBondContact O-N 2.66Å; D183-A185 PolarHBondContact O-N 2.86Å; A185-F316 HydrophobicContact CB-CE1 4.48Å; A185-F316 HydrophobicContact CB-CE2 3.55Å; A185-F316 HydrophobicContact CB-CZ 3.47Å; A185-F316 VanDerWaalsContact CB-CZ 3.47Å |
| 186 | V | 94.5 | Very high | 95.6 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 12% | 0.115 | 15% | 0.145 | C | C | . | . | trans | -74.6 | 139.4 | -176.1 | -180 | 0 | 0 | 0 | 0 | 110.6 | W85 Y132 D183 | W85-V186 HydrophobicContact CE3-CG1 3.63Å; W85-V186 HydrophobicContact CZ3-CG1 3.39Å; Y132-V186 HydrophobicContact CD1-CG1 4.39Å; Y132-V186 HydrophobicContact CD2-CG1 3.53Å; Y132-V186 HydrophobicContact CD2-CG2 4.26Å; Y132-V186 HydrophobicContact CE1-CG1 4.37Å; Y132-V186 HydrophobicContact CE2-CB 4.2Å; Y132-V186 HydrophobicContact CE2-CG1 3.49Å; Y132-V186 VanDerWaalsContact CE2-CG1 3.49Å; Y132-V186 HydrophobicContact CE2-CG2 3.51Å; Y132-V186 HydrophobicContact CG-CG1 3.99Å; D183-V186 VanDerWaalsContact O-CG2 3.22Å; D183-V186 WeakPolarHBondContact O-CG2 3.37Å | ||
| 187 | I | 94.6 | Very high | 95.6 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | trans | -125.2 | 139.4 | -178 | -58 | 171.6 | 0 | 0 | 0 | 108.7 | V97 V129 L145 T191 L193 P317 T318 | V97-I187 HydrophobicContact CB-CD1 4.17Å; V97-I187 HydrophobicContact CG1-CD1 3.6Å; V129-I187 HydrophobicContact CG2-CB 4.31Å; V129-I187 HydrophobicContact CG2-CG2 4.05Å; L145-I187 HydrophobicContact CD1-CB 4.26Å; L145-I187 HydrophobicContact CD1-CG1 4.43Å; I187-T191 HydrophobicContact CG2-CG2 3.67Å; I187-L193 HydrophobicContact CD1-CD2 4.28Å; I187-P317 HydrophobicContact CD1-CB 4.19Å; I187-P317 HydrophobicContact CG1-CB 3.9Å; I187-P317 HydrophobicContact CG1-CG 4.14Å; I187-T318 HydrophobicContact CD1-CG2 3.81Å | ||
| 188 | K | 94.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 22.6 Ų | 22.6 | 18% | 0.178 | 12% | 0.117 | C | C | . | . | trans | -57.9 | 136 | 176.6 | -174.5 | 177.6 | 174.2 | -178.9 | 0 | 110.8 | D82 E83 W85 T191 | D82-K188 PolarHBondContact O-NZ 3Å; D82-K188 IonicContact OD1-NZ 2.81Å; D82-K188 PolarHBondContact OD1-NZ 3.25Å; E83-K188 VanDerWaalsContact O-CD 3.31Å; E83-K188 WeakPolarHBondContact O-CD 3.46Å; E83-K188 PolarHBondContact O-NZ 3.44Å; W85-K188 HydrophobicContact CD2-CB 4.04Å; W85-K188 HydrophobicContact CG-CB 4.07Å; K188-T191 WeakPolarHBondContact O-CB 3.49Å; K188-T191 PolarHBondContact O-N 3.34Å; K188-T191 PolarHBondContact O-OG1 2.81Å | ||
| 189 | P | 95.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 22 Ų | 22 | 25% | 0.247 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 140.7 | 170 | -26.5 | 36.3 | 0 | 0 | 0 | 112.2 | L168 | L168-P189 HydrophobicContact CD1-CB 3.93Š|
| 190 | G | 94.7 | Very high | 95.6 | Very high | 5 Ų | 5 | 23.3 Ų | 23.3 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | -16.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | V129 | V129-G190 PolarHBondContact O-N 3.26Š|
| 191 | T | 95.5 | Very high | 95.6 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 7% | 0.074 | 11% | 0.11 | C | C | . | . | trans | -64.1 | 130.1 | 179.9 | -59.8 | 0 | 0 | 0 | 0 | 112 | P79 H128 V129 I187 K188 F320 | P79-T191 HydrophobicContact CB-CG2 3.78Å; P79-T191 HydrophobicContact CG-CG2 4.1Å; H128-T191 WeakPolarHBondContact CA-O 3.22Å; V129-T191 PolarHBondContact N-O 3.32Å; I187-T191 HydrophobicContact CG2-CG2 3.67Å; K188-T191 WeakPolarHBondContact O-CB 3.49Å; K188-T191 PolarHBondContact O-N 3.34Å; K188-T191 PolarHBondContact O-OG1 2.81Å; T191-F320 HydrophobicContact CG2-CE1 3.97Å | ||
| 192 | P | 96.2 | Very high | 95.6 | Very high | 6 Ų | 6 | 20.2 Ų | 20.2 | 4% | 0.039 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.3 | 174.1 | 31.6 | -35.5 | 0 | 0 | 0 | 111.2 | K76 P79 Y194 | K76-P192 WeakPolarHBondContact O-CD 3.39Å; K76-P192 WeakPolarHBondContact O-CG 3Å; P79-P192 HydrophobicContact CG-CG 4.26Å; P192-Y194 HydrophobicContact CB-CE2 4.18Å; P192-Y194 HydrophobicContact CG-CE2 4.07Å |
| 193 | L | 96.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.7 | 177.9 | -60 | 174.7 | 0 | 0 | 0 | 110.1 | V97 L99 C127 V129 V147 I187 T318 | V97-L193 HydrophobicContact CG1-CD1 4.2Å; V97-L193 HydrophobicContact CG1-CD2 4.12Å; V97-L193 HydrophobicContact CG2-CD1 4.19Å; L99-L193 HydrophobicContact CD2-CB 3.44Å; L99-L193 VanDerWaalsContact CD2-CB 3.44Å; L99-L193 HydrophobicContact CD2-CD1 3.92Å; L99-L193 HydrophobicContact CD2-CG 4.25Å; C127-L193 HydrophobicContact CB-CB 4.28Å; C127-L193 PolarHBondContact O-N 2.78Å; V129-L193 HydrophobicContact CG2-CD1 4.01Å; V129-L193 HydrophobicContact CG2-CD2 4.43Å; V129-L193 HydrophobicContact CG2-CG 4.29Å; V147-L193 HydrophobicContact CG1-CD1 4.01Å; V147-L193 HydrophobicContact CG2-CD1 4.15Å; I187-L193 HydrophobicContact CD1-CD2 4.28Å; L193-T318 HydrophobicContact CD2-CG2 4.04Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.44Å |
| 194 | Y | 97.1 | Very high | 96 | Very high | 44 Ų | 44 | 18.7 Ų | 18.7 | 17% | 0.173 | 10% | 0.098 | C | C | . | . | trans | -110.5 | 166 | -174.9 | -59.5 | -74.3 | 0 | 0 | 0 | 112.6 | L77 L99 P192 A196 H197 P321 | L77-Y194 WeakPolarHBondContact CD2-OH 3.42Å; L99-Y194 WeakPolarHBondContact CD1-O 3.36Å; P192-Y194 HydrophobicContact CB-CE2 4.18Å; P192-Y194 HydrophobicContact CG-CE2 4.07Å; Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 3.3Å; Y194-H197 VanDerWaalsContact O-CB 3.26Å; Y194-H197 WeakPolarHBondContact O-CB 3.39Å; Y194-H197 PolarHBondContact O-N 3.5Å; Y194-P321 HydrophobicContact CD2-CG 4.03Å; Y194-P321 HydrophobicContact CE2-CG 3.52Å | ||
| 195 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -63.9 | -30.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V124 H197 F198 V276 N281 I283 | V124-A195 HydrophobicContact CG2-CB 4.08Å; A195-H197 PolarHBondContact O-N 3.16Å; A195-F198 PolarHBondContact O-N 2.93Å; A195-F198 VanDerWaalsContact O-N 3.12Å; A195-V276 HydrophobicContact CB-CG1 4.09Å; A195-N281 VanDerWaalsContact CB-C 3.44Å; A195-N281 HydrophobicContact CB-CB 3.93Å; A195-N281 PolarHBondContact N-OD1 3.06Å; A195-N281 VanDerWaalsContact N-OD1 3.12Å; A195-I283 HydrophobicContact CB-CD1 4.36Å; A195-I283 HydrophobicContact CB-CG1 3.84Å |
| 196 | A | 96.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | G | 310 helix | trans | -65.2 | -2.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y194 F198 Y319 L328 | Y194-A196 VanDerWaalsContact C-N 3.26Å; Y194-A196 PolarHBondContact O-N 3.3Å; A196-F198 CarbonylContact C-O 3.51Å; A196-F198 PolarHBondContact O-N 2.86Å; A196-Y319 HydrophobicContact CB-CD1 3.53Å; A196-Y319 HydrophobicContact CB-CD2 4.4Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CG 3.87Å; A196-L328 HydrophobicContact CB-CD1 3.91Å |
| 197 | H | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | G | 310 helix | trans | -56.6 | -37.2 | 164.4 | -178.3 | 87.3 | 0 | 0 | 0 | 111.9 | R96 V97 L99 Y194 A195 T318 | R96-H197 PolarHBondContact NH1-O 3.4Å; R96-H197 PolarHBondContact NH2-O 2.93Å; V97-H197 PolarHBondContact O-CE1 3Å; V97-H197 PolarHBondContact O-NE2 3.39Å; L99-H197 HydrophobicContact CD1-CB 4.13Å; L99-H197 HydrophobicContact CD2-CB 4.44Å; L99-H197 HydrophobicContact CG-CB 4.48Å; Y194-H197 VanDerWaalsContact O-CB 3.26Å; Y194-H197 WeakPolarHBondContact O-CB 3.39Å; Y194-H197 PolarHBondContact O-N 3.5Å; A195-H197 PolarHBondContact O-N 3.16Å; H197-T318 PolarHBondContact ND1-OG1 3.42Å |
| 198 | F | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -95 | 145.9 | 171.5 | -59.9 | -77 | 0 | 0 | 0 | 109.8 | L99 A195 A196 V204 I283 I299 D301 | L99-F198 HydrophobicContact CB-CE2 4.01Å; L99-F198 HydrophobicContact CD1-CD2 3.78Å; L99-F198 HydrophobicContact CD1-CE2 3.54Å; L99-F198 HydrophobicContact CG-CD2 4.31Å; L99-F198 HydrophobicContact CG-CE2 3.59Å; L99-F198 HydrophobicContact CG-CZ 4.39Å; A195-F198 PolarHBondContact O-N 2.93Å; A195-F198 VanDerWaalsContact O-N 3.12Å; A196-F198 CarbonylContact C-O 3.51Å; A196-F198 PolarHBondContact O-N 2.86Å; F198-V204 HydrophobicContact CD1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG1 3.6Å; F198-V204 HydrophobicContact CG-CG1 4.28Å; F198-V204 HydrophobicContact CZ-CG1 4.4Å; F198-I283 HydrophobicContact CD2-CD1 3.6Å; F198-I283 HydrophobicContact CE2-CD1 4.14Å; F198-I299 HydrophobicContact CD2-CG2 4.48Å; F198-I299 HydrophobicContact CE1-CG2 4.2Å; F198-I299 HydrophobicContact CE2-CB 4.13Å; F198-I299 HydrophobicContact CE2-CG2 3.66Å; F198-I299 HydrophobicContact CZ-CB 4.13Å; F198-I299 HydrophobicContact CZ-CG2 3.51Å; F198-D301 VanDerWaalsContact CE1-OD1 3.29Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.16Å |
| 199 | R | 96.5 | Very high | 96.9 | Very high | 64 Ų | 64 | 21.9 Ų | 21.9 | 24% | 0.242 | 11% | 0.113 | C | C | . | . | trans | -113.2 | 151.2 | 175.3 | -62.9 | -65.5 | -178.5 | 128.7 | -1.4 | 110.3 | Q202 L314 | R199-Q202 VanDerWaalsContact O-CB 3.22Å; R199-Q202 WeakPolarHBondContact O-CB 3.35Å; R199-Q202 PolarHBondContact O-N 3.22Å; R199-L314 HydrophobicContact CB-CD2 3.82Å; R199-L314 HydrophobicContact CG-CD2 3.95Å | ||
| 200 | P | 96.7 | Very high | 97 | Very high | 32 Ų | 32 | 21.8 Ų | 21.8 | 21% | 0.208 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 148.6 | 172.8 | -21.6 | 32.5 | 0 | 0 | 0 | 111.7 | Q202 V276 L332 D334 | P200-Q202 VanDerWaalsContact C-N 3.27Å; P200-Q202 PolarHBondContact O-N 2.68Å; P200-V276 HydrophobicContact CG-CG2 4.41Å; P200-L332 HydrophobicContact CG-CB 3.59Å; P200-L332 VanDerWaalsContact CG-O 3.26Å; P200-L332 WeakPolarHBondContact CG-O 3.48Å; P200-D334 HydrophobicContact CB-CB 3.86Å |
| 201 | G | 95.5 | Very high | 97.2 | Very high | 26 Ų | 26 | 26.1 Ų | 26.1 | 27% | 0.268 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -19.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V273 D334 | G201-V273 PolarHBondContact N-O 3.42Å; G201-D334 WeakPolarHBondContact CA-OD1 3.17Å; G201-D334 PolarHBondContact N-OD1 3.15Å |
| 202 | Q | 95.9 | Very high | 97.3 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 4% | 0.042 | 15% | 0.151 | C | C | . | . | trans | -74 | 149.8 | -179.3 | -163.6 | -165 | -22.6 | 0 | 0 | 112.9 | R96 R199 P200 K272 V273 D301 L314 | R96-Q202 VanDerWaalsContact NH2-OE1 3.14Å; R199-Q202 VanDerWaalsContact O-CB 3.22Å; R199-Q202 WeakPolarHBondContact O-CB 3.35Å; R199-Q202 PolarHBondContact O-N 3.22Å; P200-Q202 VanDerWaalsContact C-N 3.27Å; P200-Q202 PolarHBondContact O-N 2.68Å; Q202-K272 CarbonylContact O-C 3.51Å; Q202-K272 WeakPolarHBondContact O-CA 3.49Å; Q202-V273 PolarHBondContact O-N 3.38Å; Q202-D301 PolarHBondContact NE2-OD1 3.29Å; Q202-L314 HydrophobicContact CG-CD1 3.88Å | ||
| 203 | Y | 97.6 | Very high | 97.4 | Very high | 65 Ų | 65 | 32 Ų | 32 | 26% | 0.255 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 132.2 | 170.2 | -69.4 | -96.3 | 0 | 0 | 0 | 112.2 | G270 L271 K272 S302 Y307 | Y203-G270 WeakPolarHBondContact CD1-O 3.44Å; Y203-L271 WeakPolarHBondContact CA-O 3.19Å; Y203-K272 HydrophobicContact CD1-CB 4.22Å; Y203-K272 HydrophobicContact CE1-CB 3.9Å; Y203-K272 HydrophobicContact CE1-CG 4.49Å; Y203-S302 VanDerWaalsContact O-CB 3.27Å; Y203-S302 WeakPolarHBondContact O-CB 3.22Å; Y203-S302 PolarHBondContact O-N 3.3Å; Y203-Y307 HydrophobicContact CD1-CD2 4.34Å; Y203-Y307 HydrophobicContact CD1-CE1 4.36Å; Y203-Y307 AromaticContact CD1-CE2 3.7Å; Y203-Y307 HydrophobicContact CD1-CE2 3.7Å; Y203-Y307 AromaticContact CD1-CZ 3.7Å; Y203-Y307 AromaticContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD2 4.25Å; Y203-Y307 AromaticContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE2 4.11Å; Y203-Y307 HydrophobicContact CD2-CG 4.06Å; Y203-Y307 AromaticContact CD2-CZ 3.75Å; Y203-Y307 HydrophobicContact CE1-CE1 4.34Å; Y203-Y307 HydrophobicContact CE1-CE2 4.18Å; Y203-Y307 AromaticContact CE1-CZ 3.73Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.35Å; Y203-Y307 HydrophobicContact CE2-CD1 4.11Å; Y203-Y307 AromaticContact CE2-CE1 3.52Å; Y203-Y307 HydrophobicContact CE2-CE1 3.52Å; Y203-Y307 AromaticContact CE2-CZ 3.79Å; Y203-Y307 HydrophobicContact CG-CD1 4.16Å; Y203-Y307 AromaticContact CG-CD2 3.86Å; Y203-Y307 HydrophobicContact CG-CD2 3.86Å; Y203-Y307 AromaticContact CG-CE1 3.97Å; Y203-Y307 HydrophobicContact CG-CE1 3.97Å; Y203-Y307 AromaticContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CG 4.11Å; Y203-Y307 AromaticContact CG-CZ 3.7Å; Y203-Y307 AromaticContact CZ-CE1 3.95Å; Y203-Y307 AromaticContact CZ-CZ 3.77Å |
| 204 | V | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.6 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | F198 V206 L271 V273 V285 I299 K300 | F198-V204 HydrophobicContact CD1-CG1 3.51Å; F198-V204 HydrophobicContact CE1-CG1 3.6Å; F198-V204 HydrophobicContact CG-CG1 4.28Å; F198-V204 HydrophobicContact CZ-CG1 4.4Å; V204-V206 HydrophobicContact CG2-CG2 4.25Å; V204-L271 HydrophobicContact CG2-CB 4.38Å; V204-L271 WeakPolarHBondContact CG2-O 3.32Å; V204-L271 PolarHBondContact N-O 3.23Å; V204-L271 PolarHBondContact O-N 2.93Å; V204-V273 HydrophobicContact CG1-CG2 3.82Å; V204-V273 HydrophobicContact CG2-CG2 3.94Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.16Å; V204-I299 HydrophobicContact CB-CG2 3.93Å; V204-I299 HydrophobicContact CG1-CG2 4.21Å; V204-I299 HydrophobicContact CG2-CG2 4.12Å; V204-K300 CarbonylContact C-O 3.49Å; V204-K300 VanDerWaalsContact CA-O 3.32Å; V204-K300 WeakPolarHBondContact CA-O 3.04Å; V204-K300 WeakPolarHBondContact CB-O 3.29Å |
| 205 | D | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.7 | 170.6 | -65.1 | -19.3 | 0 | 0 | 0 | 109.5 | T267 V268 Y269 G270 K300 S302 T303 | D205-T267 HydrophobicContact CB-CG2 4.1Å; D205-V268 WeakPolarHBondContact CA-O 3.1Å; D205-Y269 HydrophobicContact CB-CD1 4.31Å; D205-Y269 VanDerWaalsContact CG-CD1 3.46Å; D205-Y269 WeakPolarHBondContact OD1-CA 3.15Å; D205-Y269 WeakPolarHBondContact OD1-CD1 3.42Å; D205-Y269 WeakPolarHBondContact OD2-CD1 3.16Å; D205-G270 PolarHBondContact OD1-N 2.67Å; D205-K300 HydrophobicContact CB-CG 4.03Å; D205-K300 PolarHBondContact N-O 3.4Å; D205-K300 PolarHBondContact O-N 2.99Å; D205-K300 VanDerWaalsContact O-N 3.1Å; D205-K300 IonicContact OD2-NZ 3.48Å; D205-S302 WeakPolarHBondContact OD1-CA 3.21Å; D205-T303 PolarHBondContact OD2-N 2.9Å; D205-T303 PolarHBondContact OD2-OG1 3.18Å |
| 206 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.2 | -179 | -169.9 | 0 | 0 | 0 | 0 | 110.7 | L122 V204 T267 V268 L271 V285 V289 V297 K298 I299 | L122-V206 HydrophobicContact CD1-CG2 4.32Å; V204-V206 HydrophobicContact CG2-CG2 4.25Å; V206-T267 WeakPolarHBondContact O-CA 3.16Å; V206-V268 PolarHBondContact N-O 2.84Å; V206-V268 PolarHBondContact O-N 3.06Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4.01Å; V206-V285 HydrophobicContact CG2-CG1 4.49Å; V206-V289 HydrophobicContact CB-CG1 4.2Å; V206-V289 HydrophobicContact CB-CG2 4.38Å; V206-V289 HydrophobicContact CG1-CB 4.47Å; V206-V289 HydrophobicContact CG1-CG1 3.41Å; V206-V289 VanDerWaalsContact CG1-CG1 3.41Å; V206-V289 HydrophobicContact CG1-CG2 4.24Å; V206-V289 HydrophobicContact CG2-CG2 4.4Å; V206-V297 HydrophobicContact CG1-CB 3.89Å; V206-V297 HydrophobicContact CG1-CG2 4.03Å; V206-K298 CarbonylContact C-O 3.57Å; V206-K298 WeakPolarHBondContact CA-O 3.4Å; V206-I299 HydrophobicContact CG1-CG1 4.42Å; V206-I299 HydrophobicContact CG2-CG1 4.4Å; V206-I299 HydrophobicContact CG2-CG2 4.4Å |
| 207 | T | 98.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 42.6 Ų | 42.6 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.1 | 179.4 | -52.7 | 0 | 0 | 0 | 0 | 111.2 | N265 R266 T267 K298 | T207-N265 HydrophobicContact CG2-CB 4.48Å; T207-R266 WeakPolarHBondContact CA-O 3.43Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.3Å; T207-T267 WeakPolarHBondContact OG1-CB 3.42Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.47Å; T207-T267 PolarHBondContact OG1-OG1 2.97Å; T207-K298 PolarHBondContact N-O 3.22Å; T207-K298 PolarHBondContact O-N 2.86Å |
| 208 | A | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.033 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 168 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T210 N265 R266 P290 V297 | A208-T210 PolarHBondContact O-N 2.98Å; A208-N265 WeakPolarHBondContact O-CA 3.5Å; A208-R266 PolarHBondContact N-O 3.1Å; A208-R266 PolarHBondContact O-N 2.84Å; A208-P290 HydrophobicContact CB-CB 4.37Å; A208-P290 HydrophobicContact CB-CG 4.07Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.47Å; A208-V297 HydrophobicContact CB-CB 4.14Å; A208-V297 HydrophobicContact CB-CG1 3.72Å |
| 209 | K | 97.9 | Very high | 97.7 | Very high | 121 Ų | 121 | 45 Ų | 45 | 53% | 0.526 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 123.7 | 171.2 | -73.5 | -174.6 | 176.2 | -176.9 | 0 | 109.7 | Q264 N265 G291 | K209-Q264 WeakPolarHBondContact CA-O 3.26Å; K209-N265 WeakPolarHBondContact CG-OD1 3.28Å; K209-G291 WeakPolarHBondContact O-CA 3.36Å |
| 210 | T | 98.3 | Very high | 97.8 | Very high | 35 Ų | 35 | 47.4 Ų | 47.4 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 153.9 | 174.3 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | A208 G212 N263 Q264 R266 P290 | A208-T210 PolarHBondContact O-N 2.98Å; T210-G212 PolarHBondContact O-N 3.46Å; T210-N263 VanDerWaalsContact O-CA 3.27Å; T210-N263 WeakPolarHBondContact O-CA 3.18Å; T210-N263 PolarHBondContact O-N 2.75Å; T210-N263 PolarHBondContact OG1-N 3.46Å; T210-Q264 PolarHBondContact N-O 3.26Å; T210-Q264 PolarHBondContact OG1-N 3.21Å; T210-Q264 PolarHBondContact OG1-O 2.93Å; T210-R266 HydrophobicContact CG2-CB 3.78Å; T210-R266 HydrophobicContact CG2-CG 3.57Å; T210-P290 HydrophobicContact CG2-CB 4.07Å |
| 211 | I | 98.4 | Very high | 97.9 | Very high | 96 Ų | 96 | 49.1 Ų | 49.1 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 122.5 | 176.4 | -60.3 | 176.2 | 0 | 0 | 0 | 109.4 | K213 G262 H292 | I211-K213 PolarHBondContact O-N 2.77Å; I211-G262 WeakPolarHBondContact O-CA 3.42Å; I211-H292 HydrophobicContact CG1-CB 4.21Å |
| 212 | G | 97.8 | Very high | 98 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 123 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | T210 | T210-G212 PolarHBondContact O-N 3.46Š|
| 213 | K | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 55.4 Ų | 55.4 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | trans | -104 | 7.9 | 177.9 | -61.9 | 178.3 | -178.8 | 178.9 | 0 | 112.4 | I211 Q216 M261 | I211-K213 PolarHBondContact O-N 2.77Å; K213-Q216 HydrophobicContact CB-CG 3.96Å; K213-Q216 WeakPolarHBondContact O-CG 3.27Å; K213-Q216 PolarHBondContact O-NE2 3.36Å; K213-M261 HydrophobicContact CB-CB 4.34Å; K213-M261 HydrophobicContact CD-CE 4.25Å; K213-M261 HydrophobicContact CD-CG 4.35Å; K213-M261 HydrophobicContact CD-SD 3.71Å; K213-M261 PolarHBondContact N-O 3.37Å | ||
| 214 | G | 97.9 | Very high | 98.1 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 39% | 0.392 | 30% | 0.301 | S | S | . | . | trans | 67.9 | -156 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R260 M261 | G214-R260 WeakPolarHBondContact O-CA 3.44Å; G214-M261 PolarHBondContact O-N 3.25Å | ||
| 215 | F | 98.4 | Very high | 98.1 | Very high | 150 Ų | 150 | 65.3 Ų | 65.3 | 66% | 0.658 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122.3 | 172.2 | -169.9 | -81.6 | 0 | 0 | 0 | 109.5 | P258 | F215-P258 HydrophobicContact CE1-CB 3.96Å; F215-P258 HydrophobicContact CZ-CB 3.99Å; F215-P258 HydrophobicContact CZ-CG 4.43Å |
| 216 | Q | 98.4 | Very high | 98 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 21% | 0.21 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.6 | -175.9 | -70.5 | -60.5 | -37.3 | 0 | 0 | 111.8 | K213 K220 R221 P258 G259 M261 | K213-Q216 HydrophobicContact CB-CG 3.96Å; K213-Q216 WeakPolarHBondContact O-CG 3.27Å; K213-Q216 PolarHBondContact O-NE2 3.36Å; Q216-K220 HydrophobicContact CG-CD 4.24Å; Q216-R221 HydrophobicContact CB-CB 4.39Å; Q216-P258 WeakPolarHBondContact O-CA 3.29Å; Q216-G259 PolarHBondContact N-O 3.38Å; Q216-G259 PolarHBondContact O-N 2.85Å; Q216-M261 HydrophobicContact CB-CB 4Å; Q216-M261 HydrophobicContact CB-SD 4.42Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.34Å |
| 217 | G | 98 | Very high | 97.9 | Very high | 38 Ų | 38 | 68.9 Ų | 68.9 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | trans | -69.7 | 165.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | M219 K220 R221 | G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.03Å; G217-K220 PolarHBondContact O-N 2.93Å; G217-R221 VanDerWaalsContact O-CB 3.32Å; G217-R221 WeakPolarHBondContact O-CB 3.34Å; G217-R221 PolarHBondContact O-N 3.18Å | ||
| 218 | V | 98.2 | Very high | 97.8 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 2% | 0.018 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.2 | -33.7 | -173.2 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | W222 G223 F224 P240 P258 | V218-W222 WeakPolarHBondContact O-CA 3.5Å; V218-W222 WeakPolarHBondContact O-CB 3.27Å; V218-W222 PolarHBondContact O-N 3.03Å; V218-G223 PolarHBondContact O-N 2.72Å; V218-F224 HydrophobicContact CB-CB 4.37Å; V218-F224 HydrophobicContact CB-CD2 3.84Å; V218-F224 HydrophobicContact CB-CE2 4.35Å; V218-F224 HydrophobicContact CB-CG 4.12Å; V218-F224 HydrophobicContact CG2-CB 4.18Å; V218-F224 HydrophobicContact CG2-CD2 3.84Å; V218-F224 HydrophobicContact CG2-CG 4.27Å; V218-P240 HydrophobicContact CG1-CB 4.19Å; V218-P240 HydrophobicContact CG2-CB 4.3Å; V218-P258 HydrophobicContact CG1-CB 4.33Å; V218-P258 HydrophobicContact CG1-CG 4.5Å |
| 219 | M | 98.2 | Very high | 97.7 | Very high | 48 Ų | 48 | 75.5 Ų | 75.5 | 24% | 0.236 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.4 | -47.4 | 178 | -62 | -174 | 70.4 | 0 | 0 | 111.7 | G217 G223 F224 K225 R238 | G217-M219 VanDerWaalsContact C-N 3.32Å; G217-M219 PolarHBondContact O-N 3.03Å; M219-G223 WeakPolarHBondContact O-CA 3.38Å; M219-G223 PolarHBondContact O-N 2.9Å; M219-F224 WeakPolarHBondContact CG-O 3.39Å; M219-K225 WeakPolarHBondContact CE-O 3.32Å; M219-R238 HydrophobicContact SD-CB 3.78Å; M219-R238 HydrophobicContact SD-CG 3.73Å; M219-R238 PolarHBondContact SD-NH1 3.45Å |
| 220 | K | 98.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -77.5 | -36.4 | -179.4 | -163.5 | -177.1 | -164.4 | 169.2 | 0 | 112.4 | Q216 G217 M261 | Q216-K220 HydrophobicContact CG-CD 4.24Å; G217-K220 PolarHBondContact O-N 2.93Å; K220-M261 HydrophobicContact CG-SD 4.44Å; K220-M261 WeakPolarHBondContact O-CE 3.29Å |
| 221 | R | 98 | Very high | 97.4 | Very high | 68 Ų | 68 | 80 Ų | 80 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -75.9 | -41 | -175.6 | -171.4 | 177.4 | -173.3 | -162.8 | 7.1 | 112.8 | Q216 G217 M257 P258 G259 R260 M261 | Q216-R221 HydrophobicContact CB-CB 4.39Å; G217-R221 VanDerWaalsContact O-CB 3.32Å; G217-R221 WeakPolarHBondContact O-CB 3.34Å; G217-R221 PolarHBondContact O-N 3.18Å; R221-M257 PolarHBondContact NH1-O 2.79Å; R221-P258 VanDerWaalsContact NH1-C 3.34Å; R221-P258 PolarHBondContact NH1-O 3.24Å; R221-G259 VanDerWaalsContact NH1-CA 3.26Å; R221-R260 PolarHBondContact NE-O 3.12Å; R221-R260 PolarHBondContact NH2-O 3.32Å; R221-R260 VanDerWaalsContact NH2-O 3.12Å; R221-M261 HydrophobicContact CB-SD 4.42Å; R221-M261 HydrophobicContact CG-CB 4.29Å; R221-M261 HydrophobicContact CG-CG 4.37Å |
| 222 | W | 98.2 | Very high | 97.2 | Very high | 105 Ų | 105 | 78.9 Ų | 78.9 | 40% | 0.398 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -123.7 | -2.8 | -170.2 | -59 | 120.4 | 0 | 0 | 0 | 114.3 | V218 F224 K256 M257 | V218-W222 WeakPolarHBondContact O-CA 3.5Å; V218-W222 WeakPolarHBondContact O-CB 3.27Å; V218-W222 PolarHBondContact O-N 3.03Å; W222-F224 HydrophobicContact CB-CD1 3.81Å; W222-F224 HydrophobicContact CB-CE1 3.85Å; W222-K256 HydrophobicContact CB-CB 4.47Å; W222-K256 HydrophobicContact CB-CD 4.26Å; W222-K256 HydrophobicContact CD2-CB 3.91Å; W222-K256 HydrophobicContact CD2-CD 4.05Å; W222-K256 HydrophobicContact CD2-CG 3.79Å; W222-K256 HydrophobicContact CE3-CD 4.03Å; W222-K256 HydrophobicContact CE3-CG 4Å; W222-K256 HydrophobicContact CG-CB 3.82Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.12Å; W222-K256 HydrophobicContact CZ2-CG 4.39Å; W222-K256 HydrophobicContact CZ3-CG 4.38Å; W222-M257 PolarHBondContact NE1-O 2.59Å |
| 223 | G | 97.9 | Very high | 97 | Very high | 62 Ų | 62 | 79.9 Ų | 79.9 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | trans | 73.9 | 24.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | V218 M219 | V218-G223 PolarHBondContact O-N 2.72Å; M219-G223 WeakPolarHBondContact O-CA 3.38Å; M219-G223 PolarHBondContact O-N 2.9Å | ||
| 224 | F | 98.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 80.1 Ų | 80.1 | 29% | 0.294 | 46% | 0.46 | S | S | . | . | trans | -63.6 | 140.2 | 176.1 | -78.5 | 21.1 | 0 | 0 | 0 | 110.5 | V218 M219 W222 G226 P240 K256 | V218-F224 HydrophobicContact CB-CB 4.37Å; V218-F224 HydrophobicContact CB-CD2 3.84Å; V218-F224 HydrophobicContact CB-CE2 4.35Å; V218-F224 HydrophobicContact CB-CG 4.12Å; V218-F224 HydrophobicContact CG2-CB 4.18Å; V218-F224 HydrophobicContact CG2-CD2 3.84Å; V218-F224 HydrophobicContact CG2-CG 4.27Å; M219-F224 WeakPolarHBondContact CG-O 3.39Å; W222-F224 HydrophobicContact CB-CD1 3.81Å; W222-F224 HydrophobicContact CB-CE1 3.85Å; F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.48Å; F224-P240 HydrophobicContact CE2-CB 4.29Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.09Å; F224-K256 HydrophobicContact CZ-CB 3.94Å | ||
| 225 | K | 97.5 | Very high | 96.7 | Very high | 206 Ų | 206 | 87.1 Ų | 87.1 | 90% | 0.896 | 48% | 0.48 | S | S | * | . | trans | -64.4 | -27.9 | -178.6 | -66.8 | -173.2 | 177.9 | -176.7 | 0 | 113.5 | M219 | M219-K225 WeakPolarHBondContact CE-O 3.32Š| ||
| 226 | G | 95.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 81.3 Ų | 81.3 | 25% | 0.247 | 46% | 0.456 | C | S | . | . | trans | 79.3 | -156.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F224 | F224-G226 VanDerWaalsContact C-N 3.26Å; F224-G226 PolarHBondContact O-N 3.48Å | ||
| 227 | Q | 96.2 | Very high | 96.4 | Very high | 51 Ų | 51 | 83.1 Ų | 83.1 | 24% | 0.238 | 46% | 0.464 | C | S | . | . | trans | -121.7 | 155.8 | -178.6 | -73.6 | 73.7 | 15.8 | 0 | 0 | 109 | Q233 T236 H237 R239 | Q227-Q233 HydrophobicContact CB-CG 4.12Å; Q227-T236 VanDerWaalsContact CD-O 3.27Å; Q227-T236 PolarHBondContact OE1-O 2.83Å; Q227-H237 PolarHBondContact N-O 2.7Å; Q227-H237 PolarHBondContact OE1-O 2.78Å; Q227-R239 PolarHBondContact NE2-O 2.91Å; Q227-R239 VanDerWaalsContact NE2-O 3.13Å; Q227-R239 PolarHBondContact OE1-O 2.91Å; Q227-R239 VanDerWaalsContact OE1-O 3.09Å | ||
| 228 | P | 97.2 | Very high | 96.4 | Very high | 79 Ų | 79 | 89 Ų | 89 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | trans | -56.9 | 152.9 | -180 | 23.7 | -34.5 | 0 | 0 | 0 | 112.2 | H237 | P228-H237 PolarHBondContact O-ND1 2.97Å; P228-H237 VanDerWaalsContact O-ND1 3.14Å | ||
| 229 | A | 96.1 | Very high | 96.3 | Very high | 91 Ų | 91 | 96.1 Ų | 96.1 | 75% | 0.752 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -80.1 | -34.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 230 | S | 93.9 | Very high | 96.3 | Very high | 71 Ų | 71 | 96.1 Ų | 96.1 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -107.8 | -171.6 | -179.3 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 231 | H | 94.7 | Very high | 96.2 | Very high | 179 Ų | 179 | 92.7 Ų | 92.7 | 83% | 0.829 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | 44.4 | 178.7 | -54.3 | -77.5 | 0 | 0 | 0 | 115 | Q233 | H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 3.04Å |
| 232 | G | 94.1 | Very high | 96.1 | Very high | 73 Ų | 73 | 94.3 Ų | 94.3 | 75% | 0.753 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 6.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T234 | G232-T234 PolarHBondContact O-N 3.12Å; G232-T234 PolarHBondContact O-OG1 2.78Å |
| 233 | Q | 94.3 | Very high | 96 | Very high | 68 Ų | 68 | 93.3 Ų | 93.3 | 32% | 0.318 | 53% | 0.532 | S | S | . | . | trans | -69.2 | 116 | -179.4 | -171.5 | 61.4 | -75 | 0 | 0 | 111.8 | Q227 H231 T236 H237 | Q227-Q233 HydrophobicContact CB-CG 4.12Å; H231-Q233 VanDerWaalsContact C-N 3.33Å; H231-Q233 PolarHBondContact O-N 3.04Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.13Å; Q233-T236 PolarHBondContact NE2-OG1 2.83Å; Q233-T236 VanDerWaalsContact NE2-OG1 3.15Å; Q233-T236 PolarHBondContact OE1-OG1 2.72Å; Q233-H237 PolarHBondContact O-CE1 2.81Å | ||
| 234 | T | 94.1 | Very high | 95.9 | Very high | 101 Ų | 101 | 92.3 Ų | 92.3 | 62% | 0.62 | 52% | 0.515 | S | S | * | . | trans | -105.6 | 114.4 | -174.4 | -60.4 | 0 | 0 | 0 | 0 | 111.6 | G232 T236 | G232-T234 PolarHBondContact O-N 3.12Å; G232-T234 PolarHBondContact O-OG1 2.78Å; T234-T236 WeakPolarHBondContact O-CG2 3.28Å; T234-T236 PolarHBondContact O-N 3.33Å; T234-T236 VanDerWaalsContact O-N 3.12Å | ||
| 235 | K | 94.7 | Very high | 95.8 | Very high | 186 Ų | 186 | 93.1 Ų | 93.1 | 81% | 0.809 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 56.7 | 23.9 | 171.8 | -60.4 | 179.9 | -179.8 | 176.9 | 0 | 116.2 | ||
| 236 | T | 95.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 86.8 Ų | 86.8 | 17% | 0.166 | 52% | 0.519 | C | S | . | . | trans | -122.6 | 5 | -177.2 | 60 | 0 | 0 | 0 | 0 | 115.2 | Q227 Q233 T234 R238 R239 | Q227-T236 VanDerWaalsContact CD-O 3.27Å; Q227-T236 PolarHBondContact OE1-O 2.83Å; Q233-T236 WeakPolarHBondContact CG-OG1 3.13Å; Q233-T236 PolarHBondContact NE2-OG1 2.83Å; Q233-T236 VanDerWaalsContact NE2-OG1 3.15Å; Q233-T236 PolarHBondContact OE1-OG1 2.72Å; T234-T236 WeakPolarHBondContact O-CG2 3.28Å; T234-T236 PolarHBondContact O-N 3.33Å; T234-T236 VanDerWaalsContact O-N 3.12Å; T236-R238 PolarHBondContact O-N 2.89Å; T236-R239 PolarHBondContact O-N 2.9Å; T236-R239 VanDerWaalsContact O-N 3.07Å | ||
| 237 | H | 96.6 | Very high | 95.6 | Very high | 83 Ų | 83 | 93.2 Ų | 93.2 | 38% | 0.384 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | -29 | -172.3 | -49.1 | -64.5 | 0 | 0 | 0 | 116.7 | Q227 P228 Q233 | Q227-H237 PolarHBondContact N-O 2.7Å; Q227-H237 PolarHBondContact OE1-O 2.78Å; P228-H237 PolarHBondContact O-ND1 2.97Å; P228-H237 VanDerWaalsContact O-ND1 3.14Å; Q233-H237 PolarHBondContact O-CE1 2.81Å |
| 238 | R | 97.2 | Very high | 95.5 | Very high | 162 Ų | 162 | 93.7 Ų | 93.7 | 61% | 0.611 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.4 | 15.1 | -173.9 | -50.8 | -174.1 | 65.5 | 76.1 | -1.2 | 113.7 | M219 T236 | M219-R238 HydrophobicContact SD-CB 3.78Å; M219-R238 HydrophobicContact SD-CG 3.73Å; M219-R238 PolarHBondContact SD-NH1 3.45Å; T236-R238 PolarHBondContact O-N 2.89Å |
| 239 | R | 96.3 | Very high | 95.3 | Very high | 152 Ų | 152 | 94.4 Ų | 94.4 | 57% | 0.574 | 56% | 0.564 | S | S | * | * | trans | -81.7 | 156 | -177 | -68.3 | -176.6 | 77.1 | -176 | 0.9 | 110.8 | Q227 T236 G241 | Q227-R239 PolarHBondContact NE2-O 2.91Å; Q227-R239 VanDerWaalsContact NE2-O 3.13Å; Q227-R239 PolarHBondContact OE1-O 2.91Å; Q227-R239 VanDerWaalsContact OE1-O 3.09Å; T236-R239 PolarHBondContact O-N 2.9Å; T236-R239 VanDerWaalsContact O-N 3.07Å; R239-G241 PolarHBondContact O-N 2.88Å | ||
| 240 | P | 97.4 | Very high | 95.3 | Very high | 49 Ų | 49 | 96.1 Ų | 96.1 | 32% | 0.318 | 55% | 0.551 | S | S | . | * | trans | -64.1 | -23.9 | 176.7 | 23.7 | -32.9 | 0 | 0 | 0 | 114.3 | V218 F224 I243 | V218-P240 HydrophobicContact CG1-CB 4.19Å; V218-P240 HydrophobicContact CG2-CB 4.3Å; F224-P240 HydrophobicContact CE2-CB 4.29Å; P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.34Å | ||
| 241 | G | 96.2 | Very high | 95.4 | Very high | 43 Ų | 43 | 95.6 Ų | 95.6 | 44% | 0.443 | 54% | 0.544 | S | S | . | . | trans | 80.1 | -149.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | R239 | R239-G241 PolarHBondContact O-N 2.88Š| ||
| 242 | A | 95.8 | Very high | 95.5 | Very high | 101 Ų | 101 | 93.5 Ų | 93.5 | 84% | 0.835 | 53% | 0.529 | S | S | * | . | trans | -65.5 | 141.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 243 | I | 96.4 | Very high | 95.6 | Very high | 84 Ų | 84 | 95.3 Ų | 95.3 | 43% | 0.431 | 53% | 0.528 | S | S | . | . | trans | -112.3 | -16.1 | -173.3 | 60.2 | 173.2 | 0 | 0 | 0 | 114.2 | P240 V251 M257 | P240-I243 HydrophobicContact CB-CG2 4.39Å; P240-I243 HydrophobicContact CG-CG2 4.34Å; I243-V251 HydrophobicContact CD1-CG2 3.8Å; I243-V251 HydrophobicContact CG1-CG2 4.33Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.87Å; I243-M257 HydrophobicContact CG2-CE 4.34Å | ||
| 244 | S | 95.9 | Very high | 95.8 | Very high | 42 Ų | 42 | 95.9 Ų | 95.9 | 29% | 0.294 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -164.5 | 178.3 | 178.7 | -158.7 | 0 | 0 | 0 | 0 | 109.6 | R250 | S244-R250 WeakPolarHBondContact CB-O 3.1Å; S244-R250 PolarHBondContact OG-O 3.02Å |
| 245 | T | 95.6 | Very high | 95.9 | Very high | 84 Ų | 84 | 93.3 Ų | 93.3 | 52% | 0.515 | 54% | 0.536 | S | S | . | . | trans | -90.4 | 150.2 | 170.9 | 56.2 | 0 | 0 | 0 | 0 | 110.9 | I248 | T245-I248 VanDerWaalsContact OG1-CD1 3.23Å; T245-I248 WeakPolarHBondContact OG1-CD1 3.49Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.39Å | ||
| 246 | G | 94.4 | Very high | 96.1 | Very high | 73 Ų | 73 | 89.8 Ų | 89.8 | 75% | 0.753 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -67.1 | -38.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I248 A249 | G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 2.95Å; G246-A249 PolarHBondContact O-N 3.44Å |
| 247 | D | 95.1 | Very high | 96.2 | Very high | 159 Ų | 159 | 91.8 Ų | 91.8 | 85% | 0.85 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -41.3 | -177.9 | -176.6 | 29.2 | 0 | 0 | 0 | 113.2 | A249 | D247-A249 PolarHBondContact O-N 3.04Š|
| 248 | I | 93.8 | Very high | 96.3 | Very high | 61 Ų | 61 | 90.5 Ų | 90.5 | 31% | 0.313 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.8 | -179.5 | -65.2 | 174.2 | 0 | 0 | 0 | 111.6 | T245 G246 R250 W252 | T245-I248 VanDerWaalsContact OG1-CD1 3.23Å; T245-I248 WeakPolarHBondContact OG1-CD1 3.49Å; T245-I248 WeakPolarHBondContact OG1-CG1 3.39Å; G246-I248 VanDerWaalsContact C-N 3.33Å; G246-I248 PolarHBondContact O-N 2.95Å; I248-R250 HydrophobicContact CG2-CG 3.43Å; I248-R250 VanDerWaalsContact CG2-CG 3.43Å; I248-R250 PolarHBondContact O-N 2.99Å; I248-W252 HydrophobicContact CD1-CZ2 3.63Å |
| 249 | A | 93.5 | Very high | 96.4 | Very high | 94 Ų | 94 | 83.1 Ų | 83.1 | 78% | 0.777 | 50% | 0.503 | S | S | * | . | trans | 50.4 | 17.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | G246 D247 | G246-A249 PolarHBondContact O-N 3.44Å; D247-A249 PolarHBondContact O-N 3.04Å | ||
| 250 | R | 95.2 | Very high | 96.5 | Very high | 127 Ų | 127 | 83.2 Ų | 83.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -143.9 | 164 | 174.1 | 65.2 | 172.4 | -178 | 125.3 | 3.5 | 111.1 | S244 I248 | S244-R250 WeakPolarHBondContact CB-O 3.1Å; S244-R250 PolarHBondContact OG-O 3.02Å; I248-R250 HydrophobicContact CG2-CG 3.43Å; I248-R250 VanDerWaalsContact CG2-CG 3.43Å; I248-R250 PolarHBondContact O-N 2.99Å |
| 251 | V | 96.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 83 Ų | 83 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 131 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | I243 T255 M257 | I243-V251 HydrophobicContact CD1-CG2 3.8Å; I243-V251 HydrophobicContact CG1-CG2 4.33Å; V251-T255 HydrophobicContact CG1-CG2 4.04Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.27Å; V251-M257 HydrophobicContact CG1-CE 3.65Å; V251-M257 HydrophobicContact CG2-CE 4.29Å |
| 252 | W | 96.7 | Very high | 96.5 | Very high | 135 Ų | 135 | 81.6 Ų | 81.6 | 51% | 0.511 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.8 | 176.1 | -70.6 | 99.7 | 0 | 0 | 0 | 111.6 | I248 G254 T255 | I248-W252 HydrophobicContact CD1-CZ2 3.63Å; W252-G254 PolarHBondContact O-N 3.07Å; W252-T255 WeakPolarHBondContact O-CB 3.4Å; W252-T255 PolarHBondContact O-N 3.33Å; W252-T255 VanDerWaalsContact O-N 3.11Å; W252-T255 PolarHBondContact O-OG1 2.63Å |
| 253 | P | 97.5 | Very high | 96.6 | Very high | 111 Ų | 111 | 79.9 Ų | 79.9 | 72% | 0.721 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 133.5 | 172.3 | -24.7 | 34.4 | 0 | 0 | 0 | 111 | ||
| 254 | G | 96.9 | Very high | 96.7 | Very high | 81 Ų | 81 | 80.6 Ų | 80.6 | 84% | 0.835 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 3.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | W252 K256 | W252-G254 PolarHBondContact O-N 3.07Å; G254-K256 PolarHBondContact O-N 2.64Å |
| 255 | T | 97.7 | Very high | 96.8 | Very high | 47 Ų | 47 | 83 Ų | 83 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | trans | -53.3 | 132.9 | 172.7 | -62.4 | 0 | 0 | 0 | 0 | 111.7 | V251 W252 M257 | V251-T255 HydrophobicContact CG1-CG2 4.04Å; V251-T255 WeakPolarHBondContact CG1-OG1 3.27Å; W252-T255 WeakPolarHBondContact O-CB 3.4Å; W252-T255 PolarHBondContact O-N 3.33Å; W252-T255 VanDerWaalsContact O-N 3.11Å; W252-T255 PolarHBondContact O-OG1 2.63Å; T255-M257 HydrophobicContact CG2-CE 4.27Å; T255-M257 HydrophobicContact CG2-CG 4.48Å; T255-M257 PolarHBondContact O-N 2.97Å | ||
| 256 | K | 98.3 | Very high | 96.9 | Very high | 112 Ų | 112 | 86.3 Ų | 86.3 | 49% | 0.487 | 48% | 0.475 | S | S | . | . | trans | -68.9 | 102 | -175.7 | -69.7 | 177.5 | -177.6 | 174.1 | 0 | 111.7 | W222 F224 G254 | W222-K256 HydrophobicContact CB-CB 4.47Å; W222-K256 HydrophobicContact CB-CD 4.26Å; W222-K256 HydrophobicContact CD2-CB 3.91Å; W222-K256 HydrophobicContact CD2-CD 4.05Å; W222-K256 HydrophobicContact CD2-CG 3.79Å; W222-K256 HydrophobicContact CE3-CD 4.03Å; W222-K256 HydrophobicContact CE3-CG 4Å; W222-K256 HydrophobicContact CG-CB 3.82Å; W222-K256 HydrophobicContact CG-CD 4.18Å; W222-K256 HydrophobicContact CG-CG 4.12Å; W222-K256 HydrophobicContact CZ2-CG 4.39Å; W222-K256 HydrophobicContact CZ3-CG 4.38Å; F224-K256 HydrophobicContact CE1-CB 4.17Å; F224-K256 HydrophobicContact CE1-CD 4.09Å; F224-K256 HydrophobicContact CZ-CB 3.94Å; G254-K256 PolarHBondContact O-N 2.64Å | ||
| 257 | M | 98.3 | Very high | 97.1 | Very high | 68 Ų | 68 | 84.8 Ų | 84.8 | 34% | 0.335 | 45% | 0.451 | S | S | . | . | trans | -120.5 | 163.4 | -177.7 | -77.6 | -174.5 | 174.9 | 0 | 0 | 112.7 | R221 W222 I243 V251 T255 | R221-M257 PolarHBondContact NH1-O 2.79Å; W222-M257 PolarHBondContact NE1-O 2.59Å; I243-M257 HydrophobicContact CB-CE 4.22Å; I243-M257 HydrophobicContact CD1-CE 3.87Å; I243-M257 HydrophobicContact CG2-CE 4.34Å; V251-M257 HydrophobicContact CG1-CE 3.65Å; V251-M257 HydrophobicContact CG2-CE 4.29Å; T255-M257 HydrophobicContact CG2-CE 4.27Å; T255-M257 HydrophobicContact CG2-CG 4.48Å; T255-M257 PolarHBondContact O-N 2.97Å | ||
| 258 | P | 98.3 | Very high | 97.2 | Very high | 57 Ų | 57 | 79.6 Ų | 79.6 | 37% | 0.37 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -59.7 | 153.9 | 172.9 | 28.2 | -35.9 | 0 | 0 | 0 | 110.9 | F215 Q216 V218 R221 | F215-P258 HydrophobicContact CE1-CB 3.96Å; F215-P258 HydrophobicContact CZ-CB 3.99Å; F215-P258 HydrophobicContact CZ-CG 4.43Å; Q216-P258 WeakPolarHBondContact O-CA 3.29Å; V218-P258 HydrophobicContact CG1-CB 4.33Å; V218-P258 HydrophobicContact CG1-CG 4.5Å; R221-P258 VanDerWaalsContact NH1-C 3.34Å; R221-P258 PolarHBondContact NH1-O 3.24Å |
| 259 | G | 98.2 | Very high | 97.4 | Very high | 7 Ų | 7 | 82.5 Ų | 82.5 | 7% | 0.072 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.1 | -171.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q216 R221 M261 | Q216-G259 PolarHBondContact N-O 3.38Å; Q216-G259 PolarHBondContact O-N 2.85Å; R221-G259 VanDerWaalsContact NH1-CA 3.26Å; G259-M261 PolarHBondContact O-N 3Å |
| 260 | R | 98.1 | Very high | 97.6 | Very high | 154 Ų | 154 | 79 Ų | 79 | 58% | 0.581 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 129.2 | -176.9 | -166.5 | 179.2 | -174.8 | 173.7 | 8.5 | 111.6 | G214 R221 N263 | G214-R260 WeakPolarHBondContact O-CA 3.44Å; R221-R260 PolarHBondContact NE-O 3.12Å; R221-R260 PolarHBondContact NH2-O 3.32Å; R221-R260 VanDerWaalsContact NH2-O 3.12Å; R260-N263 PolarHBondContact NH2-ND2 3.4Å |
| 261 | M | 98.1 | Very high | 97.7 | Very high | 44 Ų | 44 | 73.7 Ų | 73.7 | 22% | 0.217 | 39% | 0.387 | C | S | . | . | trans | -119.8 | 136 | 176.8 | -173.4 | -171.2 | -172.8 | 0 | 0 | 110.7 | K213 G214 Q216 K220 R221 G259 | K213-M261 HydrophobicContact CB-CB 4.34Å; K213-M261 HydrophobicContact CD-CE 4.25Å; K213-M261 HydrophobicContact CD-CG 4.35Å; K213-M261 HydrophobicContact CD-SD 3.71Å; K213-M261 PolarHBondContact N-O 3.37Å; G214-M261 PolarHBondContact O-N 3.25Å; Q216-M261 HydrophobicContact CB-CB 4Å; Q216-M261 HydrophobicContact CB-SD 4.42Å; Q216-M261 HydrophobicContact CG-CB 3.96Å; Q216-M261 HydrophobicContact CG-SD 4.34Å; K220-M261 HydrophobicContact CG-SD 4.44Å; K220-M261 WeakPolarHBondContact O-CE 3.29Å; R221-M261 HydrophobicContact CB-SD 4.42Å; R221-M261 HydrophobicContact CG-CB 4.29Å; R221-M261 HydrophobicContact CG-CG 4.37Å; G259-M261 PolarHBondContact O-N 3Å | ||
| 262 | G | 97.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 72.4 Ų | 72.4 | 14% | 0.144 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 76.9 | -165.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I211 Q264 | I211-G262 WeakPolarHBondContact O-CA 3.42Å; G262-Q264 PolarHBondContact O-N 2.93Å |
| 263 | N | 97.6 | Very high | 97.8 | Very high | 64 Ų | 64 | 66 Ų | 66 | 34% | 0.342 | 35% | 0.353 | S | S | . | . | trans | 53.1 | 32 | -171.2 | -164.4 | 33.2 | 0 | 0 | 0 | 113.8 | T210 R260 | T210-N263 VanDerWaalsContact O-CA 3.27Å; T210-N263 WeakPolarHBondContact O-CA 3.18Å; T210-N263 PolarHBondContact O-N 2.75Å; T210-N263 PolarHBondContact OG1-N 3.46Å; R260-N263 PolarHBondContact NH2-ND2 3.4Å | ||
| 264 | Q | 97.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 61.3 Ų | 61.3 | 46% | 0.463 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -117.4 | 148.7 | 175.8 | -67.7 | 174.6 | 0.8 | 0 | 0 | 109 | K209 T210 G262 R266 | K209-Q264 WeakPolarHBondContact CA-O 3.26Å; T210-Q264 PolarHBondContact N-O 3.26Å; T210-Q264 PolarHBondContact OG1-N 3.21Å; T210-Q264 PolarHBondContact OG1-O 2.93Å; G262-Q264 PolarHBondContact O-N 2.93Å; Q264-R266 PolarHBondContact O-N 2.98Å |
| 265 | N | 97.7 | Very high | 97.8 | Very high | 93 Ų | 93 | 59.3 Ų | 59.3 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 127.2 | 172.5 | -64.8 | -34 | 0 | 0 | 0 | 109 | T207 A208 K209 | T207-N265 HydrophobicContact CG2-CB 4.48Å; A208-N265 WeakPolarHBondContact O-CA 3.5Å; K209-N265 WeakPolarHBondContact CG-OD1 3.28Å |
| 266 | R | 98.2 | Very high | 97.9 | Very high | 153 Ų | 153 | 57.1 Ų | 57.1 | 58% | 0.577 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 144.9 | 170.3 | -71.4 | -67.4 | -177.2 | 162 | -3.6 | 108.9 | T207 A208 T210 Q264 P290 | T207-R266 WeakPolarHBondContact CA-O 3.43Å; A208-R266 PolarHBondContact N-O 3.1Å; A208-R266 PolarHBondContact O-N 2.84Å; T210-R266 HydrophobicContact CG2-CB 3.78Å; T210-R266 HydrophobicContact CG2-CG 3.57Å; Q264-R266 PolarHBondContact O-N 2.98Å; R266-P290 WeakPolarHBondContact O-CG 3.3Å |
| 267 | T | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 52.1 Ų | 52.1 | 25% | 0.252 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.7 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | D205 V206 T207 Y269 | D205-T267 HydrophobicContact CB-CG2 4.1Å; V206-T267 WeakPolarHBondContact O-CA 3.16Å; T207-T267 WeakPolarHBondContact CG2-OG1 3.3Å; T207-T267 WeakPolarHBondContact OG1-CB 3.42Å; T207-T267 WeakPolarHBondContact OG1-CG2 3.47Å; T207-T267 PolarHBondContact OG1-OG1 2.97Å; T267-Y269 HydrophobicContact CG2-CD1 4.01Å; T267-Y269 HydrophobicContact CG2-CD2 4.29Å; T267-Y269 HydrophobicContact CG2-CE1 3.63Å; T267-Y269 HydrophobicContact CG2-CE2 3.92Å; T267-Y269 HydrophobicContact CG2-CG 4.32Å |
| 268 | V | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 50.3 Ų | 50.3 | 31% | 0.309 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128 | 166.5 | -179.1 | 0 | 0 | 0 | 0 | 106.5 | D205 V206 L271 P290 | D205-V268 WeakPolarHBondContact CA-O 3.1Å; V206-V268 PolarHBondContact N-O 2.84Å; V206-V268 PolarHBondContact O-N 3.06Å; V268-L271 HydrophobicContact CB-CD1 4.21Å; V268-L271 HydrophobicContact CG1-CD1 3.95Å; V268-L271 HydrophobicContact CG1-CD2 3.62Å; V268-L271 HydrophobicContact CG1-CG 3.93Å; V268-P290 HydrophobicContact CG2-CG 4.2Å |
| 269 | Y | 97.9 | Very high | 97.6 | Very high | 122 Ų | 122 | 54.1 Ų | 54.1 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 153.4 | -172 | -59.6 | -90.9 | 0 | 0 | 0 | 111 | D205 T267 | D205-Y269 HydrophobicContact CB-CD1 4.31Å; D205-Y269 VanDerWaalsContact CG-CD1 3.46Å; D205-Y269 WeakPolarHBondContact OD1-CA 3.15Å; D205-Y269 WeakPolarHBondContact OD1-CD1 3.42Å; D205-Y269 WeakPolarHBondContact OD2-CD1 3.16Å; T267-Y269 HydrophobicContact CG2-CD1 4.01Å; T267-Y269 HydrophobicContact CG2-CD2 4.29Å; T267-Y269 HydrophobicContact CG2-CE1 3.63Å; T267-Y269 HydrophobicContact CG2-CE2 3.92Å; T267-Y269 HydrophobicContact CG2-CG 4.32Å |
| 270 | G | 96.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 22% | 0.216 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.6 | 41.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y203 D205 | Y203-G270 WeakPolarHBondContact CD1-O 3.44Å; D205-G270 PolarHBondContact OD1-N 2.67Å |
| 271 | L | 97.9 | Very high | 97.6 | Very high | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118 | 174.6 | -56.9 | -177.8 | 0 | 0 | 0 | 110.4 | Y203 V204 V206 V268 V285 N286 V289 | Y203-L271 WeakPolarHBondContact CA-O 3.19Å; V204-L271 HydrophobicContact CG2-CB 4.38Å; V204-L271 WeakPolarHBondContact CG2-O 3.32Å; V204-L271 PolarHBondContact N-O 3.23Å; V204-L271 PolarHBondContact O-N 2.93Å; V206-L271 HydrophobicContact CB-CD1 4.35Å; V206-L271 HydrophobicContact CG2-CD1 4.01Å; V268-L271 HydrophobicContact CB-CD1 4.21Å; V268-L271 HydrophobicContact CG1-CD1 3.95Å; V268-L271 HydrophobicContact CG1-CD2 3.62Å; V268-L271 HydrophobicContact CG1-CG 3.93Å; L271-V285 HydrophobicContact CB-CG1 3.34Å; L271-V285 HydrophobicContact CD1-CG1 3.7Å; L271-V285 HydrophobicContact CG-CG1 4.15Å; L271-N286 WeakPolarHBondContact CD2-O 3.33Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å |
| 272 | K | 97.6 | Very high | 97.6 | Very high | 32 Ų | 32 | 51.7 Ų | 51.7 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 139.3 | 176.7 | -168.4 | -177.9 | 179.1 | -167.8 | 0 | 111.3 | Q202 Y203 W274 N286 D334 | Q202-K272 CarbonylContact O-C 3.51Å; Q202-K272 WeakPolarHBondContact O-CA 3.49Å; Y203-K272 HydrophobicContact CD1-CB 4.22Å; Y203-K272 HydrophobicContact CE1-CB 3.9Å; Y203-K272 HydrophobicContact CE1-CG 4.49Å; K272-W274 HydrophobicContact CD-CD2 4.43Å; K272-W274 HydrophobicContact CD-CE3 4.38Å; K272-W274 HydrophobicContact CD-CH2 4.28Å; K272-W274 HydrophobicContact CD-CZ2 4.26Å; K272-W274 HydrophobicContact CD-CZ3 4.34Å; K272-N286 HydrophobicContact CB-CB 4.24Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.46Å; K272-N286 PolarHBondContact O-N 2.97Å; K272-D334 WeakPolarHBondContact CE-OD1 3.48Å; K272-D334 IonicContact NZ-OD1 3.46Å; K272-D334 PolarHBondContact NZ-OD1 3.07Å; K272-D334 IonicContact NZ-OD2 2.66Å; K272-D334 PolarHBondContact NZ-OD2 2.77Å |
| 273 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 119.5 | 169.6 | -179.7 | 0 | 0 | 0 | 0 | 108.5 | G201 Q202 V204 V276 I283 | G201-V273 PolarHBondContact N-O 3.42Å; Q202-V273 PolarHBondContact O-N 3.38Å; V204-V273 HydrophobicContact CG1-CG2 3.82Å; V204-V273 HydrophobicContact CG2-CG2 3.94Å; V273-V276 HydrophobicContact CG1-CG2 3.72Å; V273-I283 HydrophobicContact CG1-CG2 3.8Å; V273-I283 HydrophobicContact CG2-CG2 4.2Å |
| 274 | W | 97.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | -37.9 | -176.1 | -76 | 114.8 | 0 | 0 | 0 | 113.4 | L109 H117 V119 K272 Y284 N286 D334 S336 V337 | L109-W274 HydrophobicContact CD1-CB 3.88Å; L109-W274 HydrophobicContact CD1-CG 4.37Å; L109-W274 HydrophobicContact CD2-CD2 4.35Å; L109-W274 HydrophobicContact CD2-CG 4.45Å; H117-W274 AromaticContact CD2-CZ2 3.82Å; H117-W274 AromaticContact CG-CZ2 3.97Å; V119-W274 VanDerWaalsContact CG1-CD1 3.44Å; V119-W274 HydrophobicContact CG1-CG 4.23Å; K272-W274 HydrophobicContact CD-CD2 4.43Å; K272-W274 HydrophobicContact CD-CE3 4.38Å; K272-W274 HydrophobicContact CD-CH2 4.28Å; K272-W274 HydrophobicContact CD-CZ2 4.26Å; K272-W274 HydrophobicContact CD-CZ3 4.34Å; W274-Y284 PolarHBondContact N-O 3.07Å; W274-N286 PolarHBondContact NE1-OD1 2.89Å; W274-D334 HydrophobicContact CE3-CB 4.16Å; W274-D334 WeakPolarHBondContact O-CB 3.39Å; W274-D334 PolarHBondContact O-N 2.78Å; W274-S336 VanDerWaalsContact CZ3-OG 3.25Å; W274-S336 WeakPolarHBondContact CZ3-OG 3.49Å; W274-V337 HydrophobicContact CB-CG2 4.27Å; W274-V337 HydrophobicContact CD2-CG2 4.2Å; W274-V337 HydrophobicContact CE3-CG2 3.31Å; W274-V337 HydrophobicContact CZ3-CG2 3.86Å |
| 275 | R | 97.2 | Very high | 97.7 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 149 | -176.7 | 174.6 | -173.8 | 172.2 | 176.5 | -5.5 | 109.7 | Y284 D331 L332 F333 | R275-Y284 HydrophobicContact CB-CD2 3.84Å; R275-Y284 HydrophobicContact CB-CG 3.98Å; R275-Y284 HydrophobicContact CG-CD2 3.83Å; R275-Y284 HydrophobicContact CG-CE2 4.12Å; R275-Y284 HydrophobicContact CG-CG 4.38Å; R275-Y284 WeakPolarHBondContact O-CB 3.44Å; R275-Y284 WeakPolarHBondContact O-CD2 3.42Å; R275-Y284 PolarHBondContact O-N 2.97Å; R275-D331 IonicContact CZ-OD1 2.83Å; R275-D331 VanDerWaalsContact CZ-OD1 3.22Å; R275-D331 IonicContact CZ-OD2 2.77Å; R275-D331 VanDerWaalsContact NE-CG 3.3Å; R275-D331 IonicContact NE-OD1 3.85Å; R275-D331 PolarHBondContact NE-OD1 3.13Å; R275-D331 IonicContact NE-OD2 3.55Å; R275-D331 IonicContact NH2-OD1 2.63Å; R275-D331 PolarHBondContact NH2-OD1 3.09Å; R275-D331 IonicContact NH2-OD2 3.36Å; R275-D331 PolarHBondContact NH2-OD2 3.12Å; R275-L332 CarbonylContact C-O 3.59Å; R275-L332 WeakPolarHBondContact CA-O 3.47Å; R275-L332 WeakPolarHBondContact CG-O 3.29Å; R275-F333 HydrophobicContact CB-CD1 4.32Å; R275-F333 VanDerWaalsContact CD-CE1 3.48Å; R275-F333 HydrophobicContact CG-CD1 4.05Å; R275-F333 HydrophobicContact CG-CE1 4.05Å |
| 276 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 125.5 | 170.6 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | A195 P200 V273 I282 L332 | A195-V276 HydrophobicContact CB-CG1 4.09Å; P200-V276 HydrophobicContact CG-CG2 4.41Å; V273-V276 HydrophobicContact CG1-CG2 3.72Å; V276-I282 WeakPolarHBondContact CA-O 3.39Å; V276-L332 HydrophobicContact CB-CB 4.45Å; V276-L332 PolarHBondContact N-O 2.79Å; V276-L332 PolarHBondContact O-N 3.27Å |
| 277 | N | 97.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.7 | 174 | -177 | -79.5 | 0 | 0 | 0 | 109.3 | K279 H280 N281 I282 Y284 E330 D331 | N277-K279 PolarHBondContact OD1-N 3Å; N277-H280 WeakPolarHBondContact OD1-CB 3.38Å; N277-H280 PolarHBondContact OD1-N 2.85Å; N277-N281 CarbonylContact O-C 3.5Å; N277-N281 VanDerWaalsContact O-CA 3.28Å; N277-N281 WeakPolarHBondContact O-CA 3.32Å; N277-N281 PolarHBondContact O-N 2.81Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 2.81Å; N277-I282 PolarHBondContact O-N 2.6Å; N277-Y284 HydrophobicContact CB-CE2 4.19Å; N277-E330 WeakPolarHBondContact CA-O 3.48Å; N277-E330 PolarHBondContact ND2-O 3.27Å; N277-D331 VanDerWaalsContact CB-OD1 3.27Å; N277-D331 WeakPolarHBondContact CB-OD1 3.34Å; N277-D331 PolarHBondContact ND2-OD1 2.79Å |
| 278 | T | 96.3 | Very high | 97.6 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 18% | 0.178 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -45.6 | -174.1 | 52.1 | 0 | 0 | 0 | 0 | 111.4 | H280 N281 L328 P329 E330 | T278-H280 PolarHBondContact O-N 3.32Å; T278-N281 PolarHBondContact O-N 2.94Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.42Å; T278-P329 WeakPolarHBondContact CG2-O 3.46Å; T278-P329 PolarHBondContact OG1-O 3.13Å; T278-E330 PolarHBondContact N-O 3.36Å; T278-E330 WeakPolarHBondContact OG1-CA 3.46Å; T278-E330 PolarHBondContact OG1-O 3.14Å |
| 279 | K | 96.4 | Very high | 97.6 | Very high | 138 Ų | 138 | 35.2 Ų | 35.2 | 60% | 0.6 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -47.2 | -177.9 | -176.9 | -178.4 | -176 | 173.2 | 0 | 114.2 | N277 E330 | N277-K279 PolarHBondContact OD1-N 3Å; K279-E330 HydrophobicContact CB-CG 4.19Å; K279-E330 HydrophobicContact CD-CG 4.35Å; K279-E330 WeakPolarHBondContact CD-OE1 3.22Å; K279-E330 IonicContact NZ-OE1 3.42Å; K279-E330 PolarHBondContact NZ-OE1 3.29Å; K279-E330 VanDerWaalsContact NZ-OE1 3.13Å |
| 280 | H | 97.3 | Very high | 97.6 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 46% | 0.463 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 0.6 | -179.3 | -63.4 | -58.8 | 0 | 0 | 0 | 113.3 | N277 T278 I282 | N277-H280 WeakPolarHBondContact OD1-CB 3.38Å; N277-H280 PolarHBondContact OD1-N 2.85Å; T278-H280 PolarHBondContact O-N 3.32Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å |
| 281 | N | 97.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 29.5 Ų | 29.5 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 52 | -176.4 | -74.2 | -71.3 | 0 | 0 | 0 | 112.8 | Q123 V124 A195 N277 T278 | Q123-N281 CarbonylContact C-O 3.58Å; Q123-N281 WeakPolarHBondContact CA-O 3.37Å; V124-N281 HydrophobicContact CB-CB 4.21Å; V124-N281 PolarHBondContact N-O 3.28Å; V124-N281 WeakPolarHBondContact O-CB 3.27Å; A195-N281 VanDerWaalsContact CB-C 3.44Å; A195-N281 HydrophobicContact CB-CB 3.93Å; A195-N281 PolarHBondContact N-OD1 3.06Å; A195-N281 VanDerWaalsContact N-OD1 3.12Å; N277-N281 CarbonylContact O-C 3.5Å; N277-N281 VanDerWaalsContact O-CA 3.28Å; N277-N281 WeakPolarHBondContact O-CA 3.32Å; N277-N281 PolarHBondContact O-N 2.81Å; T278-N281 PolarHBondContact O-N 2.94Å |
| 282 | I | 98.3 | Very high | 97.7 | Very high | 17 Ų | 17 | 34 Ų | 34 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.7 | -177.6 | -56.6 | 175.9 | 0 | 0 | 0 | 110.7 | L104 L121 L122 Q123 V276 N277 H280 Y284 | L104-I282 HydrophobicContact CD1-CD1 4.09Å; L121-I282 HydrophobicContact CB-CG2 4.07Å; L121-I282 HydrophobicContact CD2-CG2 4.49Å; L122-I282 WeakPolarHBondContact O-CA 3.31Å; Q123-I282 HydrophobicContact CB-CG1 4.28Å; Q123-I282 HydrophobicContact CG-CG1 4.13Å; V276-I282 WeakPolarHBondContact CA-O 3.39Å; N277-I282 HydrophobicContact CB-CB 4.23Å; N277-I282 PolarHBondContact N-O 2.81Å; N277-I282 PolarHBondContact O-N 2.6Å; H280-I282 HydrophobicContact CB-CD1 3.76Å; H280-I282 HydrophobicContact CB-CG1 3.87Å; I282-Y284 HydrophobicContact CB-CE2 4.05Å; I282-Y284 HydrophobicContact CG2-CD2 4.1Å; I282-Y284 HydrophobicContact CG2-CE2 3.63Å |
| 283 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.9 | 175.2 | -51.6 | 164.4 | 0 | 0 | 0 | 108.4 | L99 L122 V124 A195 F198 V273 V285 I299 | L99-I283 HydrophobicContact CD1-CD1 4.1Å; L122-I283 HydrophobicContact CB-CB 4.43Å; L122-I283 PolarHBondContact N-O 2.73Å; L122-I283 PolarHBondContact O-N 3.33Å; V124-I283 HydrophobicContact CG2-CD1 3.88Å; V124-I283 HydrophobicContact CG2-CG1 4.49Å; A195-I283 HydrophobicContact CB-CD1 4.36Å; A195-I283 HydrophobicContact CB-CG1 3.84Å; F198-I283 HydrophobicContact CD2-CD1 3.6Å; F198-I283 HydrophobicContact CE2-CD1 4.14Å; V273-I283 HydrophobicContact CG1-CG2 3.8Å; V273-I283 HydrophobicContact CG2-CG2 4.2Å; I283-V285 HydrophobicContact CG2-CG2 3.75Å; I283-I299 HydrophobicContact CD1-CD1 3.99Å |
| 284 | Y | 98.4 | Very high | 97.7 | Very high | 19 Ų | 19 | 44.5 Ų | 44.5 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 100.9 | 179.2 | -63.9 | -107.5 | 0 | 0 | 0 | 108.9 | M107 V119 L121 W274 R275 N277 I282 | M107-Y284 HydrophobicContact SD-CD1 3.9Å; M107-Y284 HydrophobicContact SD-CE1 3.49Å; M107-Y284 WeakPolarHBondContact SD-CE1 3.47Å; V119-Y284 HydrophobicContact CG2-CD1 4.22Å; L121-Y284 HydrophobicContact CD2-CD1 4.45Å; L121-Y284 HydrophobicContact CD2-CE1 3.73Å; L121-Y284 HydrophobicContact CG-CD1 4.05Å; L121-Y284 HydrophobicContact CG-CE1 3.84Å; W274-Y284 PolarHBondContact N-O 3.07Å; R275-Y284 HydrophobicContact CB-CD2 3.84Å; R275-Y284 HydrophobicContact CB-CG 3.98Å; R275-Y284 HydrophobicContact CG-CD2 3.83Å; R275-Y284 HydrophobicContact CG-CE2 4.12Å; R275-Y284 HydrophobicContact CG-CG 4.38Å; R275-Y284 WeakPolarHBondContact O-CB 3.44Å; R275-Y284 WeakPolarHBondContact O-CD2 3.42Å; R275-Y284 PolarHBondContact O-N 2.97Å; N277-Y284 HydrophobicContact CB-CE2 4.19Å; I282-Y284 HydrophobicContact CB-CE2 4.05Å; I282-Y284 HydrophobicContact CG2-CD2 4.1Å; I282-Y284 HydrophobicContact CG2-CE2 3.63Å |
| 285 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.5 | -174.7 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | V119 T120 L122 V204 V206 L271 I283 | V119-V285 CarbonylContact C-O 3.58Å; V119-V285 VanDerWaalsContact CA-O 3.29Å; V119-V285 WeakPolarHBondContact CA-O 3.37Å; T120-V285 PolarHBondContact N-O 3.46Å; T120-V285 PolarHBondContact O-N 2.81Å; L122-V285 HydrophobicContact CD1-CB 4.26Å; L122-V285 HydrophobicContact CD1-CG2 3.65Å; L122-V285 HydrophobicContact CG-CG2 4.34Å; V204-V285 HydrophobicContact CG2-CG1 4.07Å; V204-V285 HydrophobicContact CG2-CG2 4.16Å; V206-V285 HydrophobicContact CG2-CG1 4.49Å; L271-V285 HydrophobicContact CB-CG1 3.34Å; L271-V285 HydrophobicContact CD1-CG1 3.7Å; L271-V285 HydrophobicContact CG-CG1 4.15Å; I283-V285 HydrophobicContact CG2-CG2 3.75Å |
| 286 | N | 98.1 | Very high | 97.7 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 24% | 0.241 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 142.9 | 178.3 | -168.7 | 35.2 | 0 | 0 | 0 | 112.3 | L271 K272 W274 | L271-N286 WeakPolarHBondContact CD2-O 3.33Å; K272-N286 HydrophobicContact CB-CB 4.24Å; K272-N286 VanDerWaalsContact O-CB 3.3Å; K272-N286 WeakPolarHBondContact O-CB 3.46Å; K272-N286 PolarHBondContact O-N 2.97Å; W274-N286 PolarHBondContact NE1-OD1 2.89Å |
| 287 | G | 97.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 69.9 | -157.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A118 T120 | A118-G287 VanDerWaalsContact O-CA 3.3Å; A118-G287 WeakPolarHBondContact O-CA 3.22Å; A118-G287 PolarHBondContact O-N 3.44Å; T120-G287 PolarHBondContact OG1-O 2.99Å |
| 288 | S | 97.6 | Very high | 97.7 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 55% | 0.545 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -101 | 133.4 | -175.6 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | M106 | M106-S288 WeakPolarHBondContact CE-OG 3.34Š|
| 289 | V | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 44 Ų | 44 | 3% | 0.03 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -97.4 | 140.9 | 173.5 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | K103 T120 L122 V206 L271 V297 | K103-V289 HydrophobicContact CD-CB 4.37Å; K103-V289 HydrophobicContact CD-CG1 4.44Å; K103-V289 PolarHBondContact NZ-O 3.4Å; T120-V289 HydrophobicContact CG2-CB 4.08Å; T120-V289 HydrophobicContact CG2-CG2 3.92Å; L122-V289 HydrophobicContact CD1-CG2 4.38Å; L122-V289 HydrophobicContact CD2-CG2 4.43Å; V206-V289 HydrophobicContact CB-CG1 4.2Å; V206-V289 HydrophobicContact CB-CG2 4.38Å; V206-V289 HydrophobicContact CG1-CB 4.47Å; V206-V289 HydrophobicContact CG1-CG1 3.41Å; V206-V289 VanDerWaalsContact CG1-CG1 3.41Å; V206-V289 HydrophobicContact CG1-CG2 4.24Å; V206-V289 HydrophobicContact CG2-CG2 4.4Å; L271-V289 HydrophobicContact CD1-CG2 4.2Å; V289-V297 HydrophobicContact CG1-CB 4.49Å; V289-V297 HydrophobicContact CG1-CG1 3.97Å |
| 290 | P | 98 | Very high | 97.8 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.104 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -60.2 | 146.8 | 175.9 | 21.1 | -31.5 | 0 | 0 | 0 | 112.4 | A208 T210 R266 V268 | A208-P290 HydrophobicContact CB-CB 4.37Å; A208-P290 HydrophobicContact CB-CG 4.07Å; A208-P290 VanDerWaalsContact CB-O 3.27Å; A208-P290 WeakPolarHBondContact CB-O 3.47Å; T210-P290 HydrophobicContact CG2-CB 4.07Å; R266-P290 WeakPolarHBondContact O-CG 3.3Å; V268-P290 HydrophobicContact CG2-CG 4.2Å |
| 291 | G | 97.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 103.5 | 164.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K103 K209 | K103-G291 PolarHBondContact NZ-O 3.05Å; K209-G291 WeakPolarHBondContact O-CA 3.36Å |
| 292 | H | 98.2 | Very high | 97.8 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 51% | 0.505 | 19% | 0.187 | S | C | . | . | trans | -75.6 | 167.1 | 179.5 | 62 | 85.3 | 0 | 0 | 0 | 111.4 | I211 C295 | I211-H292 HydrophobicContact CG1-CB 4.21Å; H292-C295 WeakPolarHBondContact O-CB 3.09Å; H292-C295 PolarHBondContact O-N 3.28Å; H292-C295 PolarHBondContact O-SG 2.73Å | ||
| 293 | K | 97.8 | Very high | 97.6 | Very high | 149 Ų | 149 | 37.9 Ų | 37.9 | 65% | 0.648 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 144.3 | 170.3 | -63.9 | -175.6 | -179.5 | -177.7 | 0 | 109.9 | C295 | K293-C295 VanDerWaalsContact C-N 3.26Å; K293-C295 PolarHBondContact O-N 2.85Å |
| 294 | N | 97.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 40.9 Ų | 40.9 | 55% | 0.551 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 17.9 | -173.6 | -54 | -25.9 | 0 | 0 | 0 | 115.8 | L102 K103 | L102-N294 HydrophobicContact CD2-CB 4.38Å; K103-N294 WeakPolarHBondContact O-CA 3.3Å; K103-N294 PolarHBondContact O-N 3.33Å |
| 295 | C | 97.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.081 | 25% | 0.253 | C | S | . | . | trans | -83.4 | 152.1 | 170.4 | 78.5 | 0 | 0 | 0 | 0 | 111.4 | L102 K103 H292 K293 | L102-C295 WeakPolarHBondContact CA-O 3.17Å; K103-C295 PolarHBondContact N-O 2.8Å; H292-C295 WeakPolarHBondContact O-CB 3.09Å; H292-C295 PolarHBondContact O-N 3.28Å; H292-C295 PolarHBondContact O-SG 2.73Å; K293-C295 VanDerWaalsContact C-N 3.26Å; K293-C295 PolarHBondContact O-N 2.85Å | ||
| 296 | L | 97.6 | Very high | 97.2 | Very high | 22 Ų | 22 | 49.8 Ų | 49.8 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133.4 | 174 | -71.9 | 167.1 | 0 | 0 | 0 | 110.5 | I100 A101 L102 K150 Q174 I175 | I100-L296 HydrophobicContact CG2-CB 4.44Å; I100-L296 HydrophobicContact CG2-CD2 4.09Å; A101-L296 CarbonylContact O-C 3.52Å; A101-L296 VanDerWaalsContact O-CA 3.31Å; A101-L296 WeakPolarHBondContact O-CA 3.4Å; L102-L296 HydrophobicContact CB-CD2 4.33Å; K150-L296 HydrophobicContact CB-CD1 4.12Å; K150-L296 HydrophobicContact CB-CD2 3.83Å; K150-L296 HydrophobicContact CD-CD1 4.33Å; K150-L296 HydrophobicContact CD-CD2 4.34Å; Q174-L296 HydrophobicContact CB-CD1 3.73Å; Q174-L296 HydrophobicContact CG-CD1 3.97Å; I175-L296 HydrophobicContact CB-CD1 4.02Å; I175-L296 HydrophobicContact CD1-CB 3.65Å; I175-L296 HydrophobicContact CD1-CD1 3.68Å; I175-L296 HydrophobicContact CD1-CG 4.31Å; I175-L296 HydrophobicContact CG1-CB 4.46Å; I175-L296 HydrophobicContact CG1-CD1 3.64Å |
| 297 | V | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 146.6 | -175.4 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | I100 A101 K103 L122 V206 A208 V289 I299 | I100-V297 WeakPolarHBondContact CA-O 3.48Å; A101-V297 HydrophobicContact CB-CG2 4.03Å; A101-V297 PolarHBondContact N-O 3.22Å; A101-V297 WeakPolarHBondContact O-CG2 3.25Å; A101-V297 PolarHBondContact O-N 2.9Å; K103-V297 HydrophobicContact CB-CG1 4.1Å; L122-V297 HydrophobicContact CD1-CG2 4.18Å; L122-V297 HydrophobicContact CD2-CG2 3.87Å; V206-V297 HydrophobicContact CG1-CB 3.89Å; V206-V297 HydrophobicContact CG1-CG2 4.03Å; A208-V297 HydrophobicContact CB-CB 4.14Å; A208-V297 HydrophobicContact CB-CG1 3.72Å; V289-V297 HydrophobicContact CG1-CB 4.49Å; V289-V297 HydrophobicContact CG1-CG1 3.97Å; V297-I299 HydrophobicContact CG2-CD1 4.43Å; V297-I299 HydrophobicContact CG2-CG1 4.1Å |
| 298 | K | 98.3 | Very high | 96.5 | Very high | 42 Ų | 42 | 56.2 Ų | 56.2 | 18% | 0.183 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.2 | 174.4 | -177.7 | -171.5 | 174.9 | 177.9 | 0 | 108.2 | K177 I178 F179 V206 T207 | K177-K298 HydrophobicContact CB-CD 4.1Å; K177-K298 HydrophobicContact CB-CG 4.26Å; K177-K298 HydrophobicContact CD-CD 4.39Å; K177-K298 HydrophobicContact CG-CB 4.21Å; K177-K298 HydrophobicContact CG-CD 4.24Å; K177-K298 HydrophobicContact CG-CG 4.24Å; I178-K298 PolarHBondContact O-NZ 2.91Å; F179-K298 VanDerWaalsContact CD1-CE 3.44Å; F179-K298 HydrophobicContact CE1-CD 4.04Å; F179-K298 HydrophobicContact CE1-CG 3.61Å; F179-K298 HydrophobicContact CE2-CG 4.4Å; F179-K298 HydrophobicContact CZ-CD 4.12Å; F179-K298 HydrophobicContact CZ-CG 3.47Å; F179-K298 VanDerWaalsContact CZ-CG 3.47Å; V206-K298 CarbonylContact C-O 3.57Å; V206-K298 WeakPolarHBondContact CA-O 3.4Å; T207-K298 PolarHBondContact N-O 3.22Å; T207-K298 PolarHBondContact O-N 2.86Å |
| 299 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.2 | 178.1 | -48.7 | 173.1 | 0 | 0 | 0 | 108.1 | G98 L99 A101 L122 F179 F198 V204 V206 I283 V297 | G98-I299 CarbonylContact C-O 3.51Å; G98-I299 VanDerWaalsContact CA-O 3.28Å; G98-I299 WeakPolarHBondContact CA-O 3.46Å; L99-I299 PolarHBondContact N-O 2.93Å; L99-I299 PolarHBondContact O-N 2.84Å; A101-I299 HydrophobicContact CB-CD1 3.6Å; A101-I299 HydrophobicContact CB-CG1 4.41Å; L122-I299 HydrophobicContact CB-CD1 4.08Å; L122-I299 HydrophobicContact CD1-CD1 3.47Å; L122-I299 VanDerWaalsContact CD1-CD1 3.47Å; L122-I299 HydrophobicContact CD1-CG1 4.02Å; L122-I299 HydrophobicContact CG-CD1 4.4Å; F179-I299 VanDerWaalsContact CE1-O 3.32Å; F179-I299 WeakPolarHBondContact CE1-O 3.27Å; F198-I299 HydrophobicContact CD2-CG2 4.48Å; F198-I299 HydrophobicContact CE1-CG2 4.2Å; F198-I299 HydrophobicContact CE2-CB 4.13Å; F198-I299 HydrophobicContact CE2-CG2 3.66Å; F198-I299 HydrophobicContact CZ-CB 4.13Å; F198-I299 HydrophobicContact CZ-CG2 3.51Å; V204-I299 HydrophobicContact CB-CG2 3.93Å; V204-I299 HydrophobicContact CG1-CG2 4.21Å; V204-I299 HydrophobicContact CG2-CG2 4.12Å; V206-I299 HydrophobicContact CG1-CG1 4.42Å; V206-I299 HydrophobicContact CG2-CG1 4.4Å; V206-I299 HydrophobicContact CG2-CG2 4.4Å; I283-I299 HydrophobicContact CD1-CD1 3.99Å; V297-I299 HydrophobicContact CG2-CD1 4.43Å; V297-I299 HydrophobicContact CG2-CG1 4.1Å |
| 300 | K | 97.2 | Very high | 95.3 | Very high | 58 Ų | 58 | 59 Ų | 59 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 167 | 172.3 | 58.4 | 167.4 | -170.3 | 160 | 0 | 109.5 | F179 V204 D205 | F179-K300 HydrophobicContact CD1-CB 4.33Å; F179-K300 HydrophobicContact CE1-CB 4.13Å; V204-K300 CarbonylContact C-O 3.49Å; V204-K300 VanDerWaalsContact CA-O 3.32Å; V204-K300 WeakPolarHBondContact CA-O 3.04Å; V204-K300 WeakPolarHBondContact CB-O 3.29Å; D205-K300 HydrophobicContact CB-CG 4.03Å; D205-K300 PolarHBondContact N-O 3.4Å; D205-K300 PolarHBondContact O-N 2.99Å; D205-K300 VanDerWaalsContact O-N 3.1Å; D205-K300 IonicContact OD2-NZ 3.48Å |
| 301 | D | 97.2 | Very high | 94.5 | Very high | 22 Ų | 22 | 58.9 Ų | 58.9 | 12% | 0.118 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 148.4 | 170.1 | -57.6 | -22.2 | 0 | 0 | 0 | 111.1 | R96 F198 Q202 T303 C311 | R96-D301 WeakPolarHBondContact CG-OD2 3.4Å; R96-D301 IonicContact CZ-OD1 3.47Å; R96-D301 IonicContact CZ-OD2 3.69Å; R96-D301 IonicContact NE-OD1 2.8Å; R96-D301 PolarHBondContact NE-OD1 3.01Å; R96-D301 IonicContact NE-OD2 3.35Å; R96-D301 PolarHBondContact NE-OD2 3.19Å; R96-D301 IonicContact NH2-OD1 3.63Å; R96-D301 PolarHBondContact NH2-OD1 3.14Å; R96-D301 IonicContact NH2-OD2 3Å; F198-D301 VanDerWaalsContact CE1-OD1 3.29Å; F198-D301 WeakPolarHBondContact CE1-OD1 3.16Å; Q202-D301 PolarHBondContact NE2-OD1 3.29Å; D301-T303 PolarHBondContact O-N 3.41Å; D301-C311 PolarHBondContact OD2-SG 2.93Å; D301-C311 VanDerWaalsContact OD2-SG 3.4Å |
| 302 | S | 96.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 65.1 Ų | 65.1 | 8% | 0.077 | 34% | 0.342 | C | S | . | . | trans | -64.4 | 132.8 | -178.1 | 167.8 | 0 | 0 | 0 | 0 | 111.9 | Y203 D205 L304 Y307 | Y203-S302 VanDerWaalsContact O-CB 3.27Å; Y203-S302 WeakPolarHBondContact O-CB 3.22Å; Y203-S302 PolarHBondContact O-N 3.3Å; D205-S302 WeakPolarHBondContact OD1-CA 3.21Å; S302-L304 PolarHBondContact OG-N 2.65Å; S302-Y307 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 303 | T | 94.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | trans | -89.8 | -0 | 175.9 | 46.4 | 0 | 0 | 0 | 0 | 114.2 | D205 D301 | D205-T303 PolarHBondContact OD2-N 2.9Å; D205-T303 PolarHBondContact OD2-OG1 3.18Å; D301-T303 PolarHBondContact O-N 3.41Å | ||
| 304 | L | 96.5 | Very high | 93.5 | Very high | 63 Ų | 63 | 61 Ų | 61 | 33% | 0.33 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -65.5 | 137.3 | 177.3 | -62.9 | 175.5 | 0 | 0 | 0 | 111.2 | S302 A306 Y307 | S302-L304 PolarHBondContact OG-N 2.65Å; L304-A306 PolarHBondContact O-N 3.13Å; L304-A306 VanDerWaalsContact O-N 3.13Å; L304-Y307 HydrophobicContact CB-CD2 4Å; L304-Y307 HydrophobicContact CB-CE2 4.39Å; L304-Y307 HydrophobicContact CD1-CD2 4.34Å; L304-Y307 HydrophobicContact CD1-CE2 4.03Å; L304-Y307 PolarHBondContact O-N 3.4Å |
| 305 | P | 94.7 | Very high | 93.4 | Very high | 118 Ų | 118 | 57.2 Ų | 57.2 | 77% | 0.766 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -55.1 | -34.3 | -177.3 | -27.8 | 34.9 | 0 | 0 | 0 | 114.6 | Y307 K308 | P305-Y307 PolarHBondContact O-N 3.06Å; P305-Y307 VanDerWaalsContact O-N 3.14Å; P305-K308 PolarHBondContact O-N 3.28Å |
| 306 | A | 95 | Very high | 93.2 | Very high | 87 Ų | 87 | 58.4 Ų | 58.4 | 72% | 0.719 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -61.1 | -21.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | L304 | L304-A306 PolarHBondContact O-N 3.13Å; L304-A306 VanDerWaalsContact O-N 3.13Å |
| 307 | Y | 92.9 | Very high | 92.9 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 26% | 0.263 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -118.2 | 14.9 | -174.2 | -48.7 | -54.7 | 0 | 0 | 0 | 112.8 | Y203 S302 L304 P305 D309 S310 | Y203-Y307 HydrophobicContact CD1-CD2 4.34Å; Y203-Y307 HydrophobicContact CD1-CE1 4.36Å; Y203-Y307 AromaticContact CD1-CE2 3.7Å; Y203-Y307 HydrophobicContact CD1-CE2 3.7Å; Y203-Y307 AromaticContact CD1-CZ 3.7Å; Y203-Y307 AromaticContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD1 3.7Å; Y203-Y307 HydrophobicContact CD2-CD2 4.25Å; Y203-Y307 AromaticContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE1 3.53Å; Y203-Y307 HydrophobicContact CD2-CE2 4.11Å; Y203-Y307 HydrophobicContact CD2-CG 4.06Å; Y203-Y307 AromaticContact CD2-CZ 3.75Å; Y203-Y307 HydrophobicContact CE1-CE1 4.34Å; Y203-Y307 HydrophobicContact CE1-CE2 4.18Å; Y203-Y307 AromaticContact CE1-CZ 3.73Å; Y203-Y307 WeakPolarHBondContact CE1-OH 3.35Å; Y203-Y307 HydrophobicContact CE2-CD1 4.11Å; Y203-Y307 AromaticContact CE2-CE1 3.52Å; Y203-Y307 HydrophobicContact CE2-CE1 3.52Å; Y203-Y307 AromaticContact CE2-CZ 3.79Å; Y203-Y307 HydrophobicContact CG-CD1 4.16Å; Y203-Y307 AromaticContact CG-CD2 3.86Å; Y203-Y307 HydrophobicContact CG-CD2 3.86Å; Y203-Y307 AromaticContact CG-CE1 3.97Å; Y203-Y307 HydrophobicContact CG-CE1 3.97Å; Y203-Y307 AromaticContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CE2 3.65Å; Y203-Y307 HydrophobicContact CG-CG 4.11Å; Y203-Y307 AromaticContact CG-CZ 3.7Å; Y203-Y307 AromaticContact CZ-CE1 3.95Å; Y203-Y307 AromaticContact CZ-CZ 3.77Å; S302-Y307 WeakPolarHBondContact OG-CD2 3.48Å; L304-Y307 HydrophobicContact CB-CD2 4Å; L304-Y307 HydrophobicContact CB-CE2 4.39Å; L304-Y307 HydrophobicContact CD1-CD2 4.34Å; L304-Y307 HydrophobicContact CD1-CE2 4.03Å; L304-Y307 PolarHBondContact O-N 3.4Å; P305-Y307 PolarHBondContact O-N 3.06Å; P305-Y307 VanDerWaalsContact O-N 3.14Å; Y307-D309 VanDerWaalsContact C-N 3.32Å; Y307-D309 PolarHBondContact O-N 3Å; Y307-S310 VanDerWaalsContact O-CB 3.29Å; Y307-S310 WeakPolarHBondContact O-CB 3.44Å; Y307-S310 PolarHBondContact O-N 2.88Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; Y307-S310 PolarHBondContact O-OG 2.81Å |
| 308 | K | 88.4 | Confident | 92.8 | Very high | 136 Ų | 136 | 57.6 Ų | 57.6 | 59% | 0.591 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -42.2 | -171.9 | -170.9 | -177.9 | 177.4 | -169.5 | 0 | 113.3 | P305 | P305-K308 PolarHBondContact O-N 3.28Š|
| 309 | D | 85.5 | Confident | 92.6 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 11.1 | -177.2 | -57.1 | -40.4 | 0 | 0 | 0 | 113.1 | Y307 C311 K312 | Y307-D309 VanDerWaalsContact C-N 3.32Å; Y307-D309 PolarHBondContact O-N 3Å; D309-C311 PolarHBondContact O-N 3.22Å; D309-K312 PolarHBondContact O-N 3.16Å |
| 310 | S | 84.2 | Confident | 92.4 | Very high | 46 Ų | 46 | 58 Ų | 58 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -65.3 | -10.3 | 178.6 | 64.6 | 0 | 0 | 0 | 0 | 113.9 | Y307 K312 | Y307-S310 VanDerWaalsContact O-CB 3.29Å; Y307-S310 WeakPolarHBondContact O-CB 3.44Å; Y307-S310 PolarHBondContact O-N 2.88Å; Y307-S310 VanDerWaalsContact O-N 3.13Å; Y307-S310 PolarHBondContact O-OG 2.81Å; S310-K312 VanDerWaalsContact C-N 3.34Å |
| 311 | C | 82.1 | Confident | 92.1 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 8% | 0.081 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -81.6 | -7.7 | -178.2 | -62.3 | 0 | 0 | 0 | 0 | 114.7 | D301 D309 N313 L314 | D301-C311 PolarHBondContact OD2-SG 2.93Å; D301-C311 VanDerWaalsContact OD2-SG 3.4Å; D309-C311 PolarHBondContact O-N 3.22Å; C311-N313 VanDerWaalsContact C-N 3.29Å; C311-N313 PolarHBondContact O-N 3.04Å; C311-L314 HydrophobicContact CB-CD1 4.28Å; C311-L314 PolarHBondContact O-N 3.32Å |
| 312 | K | 88.5 | Confident | 91.5 | Very high | 139 Ų | 139 | 59.1 Ų | 59.1 | 60% | 0.604 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -56.6 | -38.6 | -175.7 | -176.7 | -179.7 | 176.4 | -175.5 | 0 | 113.9 | W90 D309 S310 | W90-K312 HydrophobicContact CD2-CB 4.34Å; W90-K312 HydrophobicContact CE3-CB 4.08Å; W90-K312 HydrophobicContact CE3-CG 3.91Å; W90-K312 HydrophobicContact CH2-CB 3.88Å; W90-K312 HydrophobicContact CH2-CG 4.27Å; W90-K312 HydrophobicContact CZ2-CB 4.15Å; W90-K312 HydrophobicContact CZ3-CB 3.84Å; W90-K312 HydrophobicContact CZ3-CD 4.18Å; W90-K312 HydrophobicContact CZ3-CG 3.74Å; D309-K312 PolarHBondContact O-N 3.16Å; S310-K312 VanDerWaalsContact C-N 3.34Å |
| 313 | N | 90.4 | Very high | 90.7 | Very high | 146 Ų | 146 | 60.7 Ų | 60.7 | 78% | 0.781 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -99.3 | 13.6 | -174.6 | -60.5 | -10.9 | 0 | 0 | 0 | 112.9 | C311 | C311-N313 VanDerWaalsContact C-N 3.29Å; C311-N313 PolarHBondContact O-N 3.04Å |
| 314 | L | 93.8 | Very high | 90 | Very high | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.131 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -102.6 | 157.7 | -175.9 | -56.9 | 179 | 0 | 0 | 0 | 111 | R199 Q202 C311 F316 | R199-L314 HydrophobicContact CB-CD2 3.82Å; R199-L314 HydrophobicContact CG-CD2 3.95Å; Q202-L314 HydrophobicContact CG-CD1 3.88Å; C311-L314 HydrophobicContact CB-CD1 4.28Å; C311-L314 PolarHBondContact O-N 3.32Å; L314-F316 PolarHBondContact O-N 3.05Å |
| 315 | P | 93.2 | Very high | 89 | Confident | 23 Ų | 23 | 67.9 Ų | 67.9 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | trans | -57.4 | 126.7 | 172 | -23.2 | 33.6 | 0 | 0 | 0 | 111 | R96 | R96-P315 PolarHBondContact NH1-O 3.2Š| ||
| 316 | F | 93.9 | Very high | 88.6 | Confident | 37 Ų | 37 | 70.1 Ų | 70.1 | 16% | 0.162 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -135.1 | 128.9 | -178.6 | -172.4 | -93.3 | 0 | 0 | 0 | 109.3 | H88 P89 W90 R96 N184 A185 L314 | H88-F316 VanDerWaalsContact O-CD1 3.27Å; H88-F316 WeakPolarHBondContact O-CD1 3.48Å; H88-F316 WeakPolarHBondContact O-CE1 3.37Å; P89-F316 WeakPolarHBondContact O-CE1 3.45Å; W90-F316 HydrophobicContact CB-CB 4.32Å; W90-F316 HydrophobicContact CB-CD1 4.24Å; W90-F316 HydrophobicContact CB-CG 4.1Å; W90-F316 AromaticContact CD1-CD2 3.95Å; R96-F316 HydrophobicContact CB-CD2 4.13Å; R96-F316 HydrophobicContact CB-CE2 4.18Å; N184-F316 HydrophobicContact CB-CE1 4.42Å; N184-F316 HydrophobicContact CB-CZ 4.34Å; N184-F316 WeakPolarHBondContact ND2-CZ 3.5Å; N184-F316 VanDerWaalsContact O-CE1 3.3Å; N184-F316 WeakPolarHBondContact O-CE1 3.34Å; A185-F316 HydrophobicContact CB-CE1 4.48Å; A185-F316 HydrophobicContact CB-CE2 3.55Å; A185-F316 HydrophobicContact CB-CZ 3.47Å; A185-F316 VanDerWaalsContact CB-CZ 3.47Å; L314-F316 PolarHBondContact O-N 3.05Å |
| 317 | P | 92.3 | Very high | 88.3 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.026 | 38% | 0.379 | C | S | . | . | S | Bend | cis | -74.7 | -23.7 | 2 | 30.5 | -36.8 | 0 | 0 | 0 | 114.1 | L87 I187 F320 | L87-P317 HydrophobicContact CD2-CG 3.86Å; I187-P317 HydrophobicContact CD1-CB 4.19Å; I187-P317 HydrophobicContact CG1-CB 3.9Å; I187-P317 HydrophobicContact CG1-CG 4.14Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.38Å |
| 318 | T | 94.9 | Very high | 88.3 | Confident | 5 Ų | 5 | 73 Ų | 73 | 3% | 0.031 | 37% | 0.374 | C | S | . | . | trans | -155.1 | 174 | 173.7 | -171.5 | 0 | 0 | 0 | 0 | 109.7 | I187 L193 H197 F320 | I187-T318 HydrophobicContact CD1-CG2 3.81Å; L193-T318 HydrophobicContact CD2-CG2 4.04Å; L193-T318 WeakPolarHBondContact CD2-OG1 3.44Å; H197-T318 PolarHBondContact ND1-OG1 3.42Å; T318-F320 HydrophobicContact CG2-CD1 4.3Å; T318-F320 HydrophobicContact CG2-CD2 4.35Å; T318-F320 HydrophobicContact CG2-CE1 3.78Å; T318-F320 HydrophobicContact CG2-CE2 3.84Å; T318-F320 HydrophobicContact CG2-CZ 3.53Å | ||
| 319 | Y | 94.5 | Very high | 88.6 | Confident | 22 Ų | 22 | 70.3 Ų | 70.3 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | trans | -78.2 | 132.1 | 169.9 | 173.9 | -105.8 | 0 | 0 | 0 | 111 | A196 P321 D324 L328 | A196-Y319 HydrophobicContact CB-CD1 3.53Å; A196-Y319 HydrophobicContact CB-CD2 4.4Å; A196-Y319 HydrophobicContact CB-CE1 3.76Å; A196-Y319 HydrophobicContact CB-CG 3.87Å; Y319-P321 HydrophobicContact CE1-CB 4.06Å; Y319-D324 WeakPolarHBondContact CE2-OD2 3.32Å; Y319-L328 HydrophobicContact CD2-CD1 4.23Å; Y319-L328 HydrophobicContact CE1-CD1 4.32Å; Y319-L328 HydrophobicContact CE2-CD1 3.46Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.46Å; Y319-L328 HydrophobicContact CE2-CG 4.12Å | ||
| 320 | F | 93.1 | Very high | 89 | Confident | 27 Ų | 27 | 70.4 Ų | 70.4 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | trans | -120.5 | 110.2 | 177.1 | -64.5 | -76.7 | 0 | 0 | 0 | 109.7 | P79 L80 L87 T191 P317 T318 D322 G323 | P79-F320 HydrophobicContact CB-CE1 4.46Å; P79-F320 HydrophobicContact CG-CD1 3.8Å; P79-F320 HydrophobicContact CG-CE1 4.11Å; L80-F320 HydrophobicContact CD1-CB 3.72Å; L80-F320 HydrophobicContact CD1-CG 4.1Å; L80-F320 HydrophobicContact CD2-CD1 3.97Å; L80-F320 HydrophobicContact CD2-CD2 4.22Å; L80-F320 HydrophobicContact CD2-CE1 4.14Å; L80-F320 HydrophobicContact CD2-CE2 4.39Å; L80-F320 HydrophobicContact CD2-CG 4Å; L80-F320 HydrophobicContact CD2-CZ 4.34Å; L80-F320 HydrophobicContact CG-CB 4.12Å; L80-F320 HydrophobicContact CG-CD1 4.01Å; L80-F320 HydrophobicContact CG-CG 4.06Å; L87-F320 HydrophobicContact CD2-CE2 4.11Å; L87-F320 HydrophobicContact CD2-CZ 4.32Å; T191-F320 HydrophobicContact CG2-CE1 3.97Å; P317-F320 HydrophobicContact CG-CE2 4.21Å; P317-F320 HydrophobicContact CG-CZ 4.38Å; T318-F320 HydrophobicContact CG2-CD1 4.3Å; T318-F320 HydrophobicContact CG2-CD2 4.35Å; T318-F320 HydrophobicContact CG2-CE1 3.78Å; T318-F320 HydrophobicContact CG2-CE2 3.84Å; T318-F320 HydrophobicContact CG2-CZ 3.53Å; F320-D322 VanDerWaalsContact C-N 3.27Å; F320-D322 PolarHBondContact O-N 3.11Å; F320-G323 PolarHBondContact O-N 3.39Å | ||
| 321 | P | 90.7 | Very high | 89.6 | Confident | 47 Ų | 47 | 70 Ų | 70 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -29.4 | -178.6 | 25.9 | -34.1 | 0 | 0 | 0 | 113.2 | Y194 Y319 G323 | Y194-P321 HydrophobicContact CD2-CG 4.03Å; Y194-P321 HydrophobicContact CE2-CG 3.52Å; Y319-P321 HydrophobicContact CE1-CB 4.06Å; P321-G323 VanDerWaalsContact C-N 3.3Å; P321-G323 PolarHBondContact O-N 3.36Å |
| 322 | D | 86 | Confident | 90.2 | Very high | 57 Ų | 57 | 70.6 Ų | 70.6 | 31% | 0.305 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -13.6 | -178 | -32.5 | -41.5 | 0 | 0 | 0 | 114 | N78 P79 F320 | N78-D322 WeakPolarHBondContact CA-OD2 3.37Å; N78-D322 PolarHBondContact OD1-OD1 3.45Å; P79-D322 WeakPolarHBondContact CD-OD2 3.39Å; F320-D322 VanDerWaalsContact C-N 3.27Å; F320-D322 PolarHBondContact O-N 3.11Å |
| 323 | G | 80.1 | Confident | 90.6 | Very high | 45 Ų | 45 | 66.2 Ų | 66.2 | 46% | 0.464 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -23 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 F320 P321 | L80-G323 VanDerWaalsContact CD1-CA 3.47Å; F320-G323 PolarHBondContact O-N 3.39Å; P321-G323 VanDerWaalsContact C-N 3.3Å; P321-G323 PolarHBondContact O-N 3.36Å |
| 324 | D | 79.2 | Confident | 90.9 | Very high | 82 Ų | 82 | 60.3 Ų | 60.3 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | trans | -86.2 | 131.3 | 178.9 | -68.6 | -22.2 | 0 | 0 | 0 | 109.3 | Y319 E326 | Y319-D324 WeakPolarHBondContact CE2-OD2 3.32Å; D324-E326 PolarHBondContact O-N 2.65Å | ||
| 325 | E | 75.1 | Confident | 91 | Very high | 204 Ų | 204 | 67.7 Ų | 67.7 | 95% | 0.953 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -67.4 | -26.1 | 177.3 | -64 | -178.3 | 179.7 | 0 | 0 | 112 | ||
| 326 | E | 86.8 | Confident | 91 | Very high | 165 Ų | 165 | 68.2 Ų | 68.2 | 77% | 0.771 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -111.3 | 127.8 | -177.6 | -65.2 | -176.4 | 177.4 | 0 | 0 | 111.6 | D324 | D324-E326 PolarHBondContact O-N 2.65Š|
| 327 | E | 88.6 | Confident | 91.1 | Very high | 185 Ų | 185 | 66.5 Ų | 66.5 | 86% | 0.864 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -71 | 131.7 | 172.4 | -168.3 | 176.8 | 179.4 | 0 | 0 | 110.3 | ||
| 328 | L | 93.1 | Very high | 91.2 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.9 | 177 | -66.5 | 175.8 | 0 | 0 | 0 | 110.9 | A196 T278 Y319 L332 | A196-L328 HydrophobicContact CB-CD1 3.91Å; T278-L328 HydrophobicContact CG2-CB 4.02Å; T278-L328 HydrophobicContact CG2-CD1 4.42Å; Y319-L328 HydrophobicContact CD2-CD1 4.23Å; Y319-L328 HydrophobicContact CE1-CD1 4.32Å; Y319-L328 HydrophobicContact CE2-CD1 3.46Å; Y319-L328 VanDerWaalsContact CE2-CD1 3.46Å; Y319-L328 HydrophobicContact CE2-CG 4.12Å; L328-L332 HydrophobicContact CD1-CD1 4.34Å |
| 329 | P | 94.2 | Very high | 91.1 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 53% | 0.526 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -51.4 | 154.9 | 171.5 | -27.1 | 33.7 | 0 | 0 | 0 | 113.3 | T278 D331 L332 | T278-P329 WeakPolarHBondContact CG2-O 3.46Å; T278-P329 PolarHBondContact OG1-O 3.13Å; P329-D331 PolarHBondContact O-N 3.06Å; P329-L332 HydrophobicContact CB-CD2 4.39Å; P329-L332 HydrophobicContact CG-CD2 4.27Å |
| 330 | E | 94.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 75.8 Ų | 75.8 | 46% | 0.458 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -56 | -36.5 | 179.4 | -177.2 | 168.6 | -162.2 | 0 | 0 | 112 | N277 T278 K279 | N277-E330 WeakPolarHBondContact CA-O 3.48Å; N277-E330 PolarHBondContact ND2-O 3.27Å; T278-E330 PolarHBondContact N-O 3.36Å; T278-E330 WeakPolarHBondContact OG1-CA 3.46Å; T278-E330 PolarHBondContact OG1-O 3.14Å; K279-E330 HydrophobicContact CB-CG 4.19Å; K279-E330 HydrophobicContact CD-CG 4.35Å; K279-E330 WeakPolarHBondContact CD-OE1 3.22Å; K279-E330 IonicContact NZ-OE1 3.42Å; K279-E330 PolarHBondContact NZ-OE1 3.29Å; K279-E330 VanDerWaalsContact NZ-OE1 3.13Å |
| 331 | D | 95.7 | Very high | 90.8 | Very high | 36 Ų | 36 | 79.4 Ų | 79.4 | 19% | 0.193 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.4 | 177.1 | -72.7 | -63.4 | 0 | 0 | 0 | 111.8 | R275 N277 P329 F333 | R275-D331 IonicContact CZ-OD1 2.83Å; R275-D331 VanDerWaalsContact CZ-OD1 3.22Å; R275-D331 IonicContact CZ-OD2 2.77Å; R275-D331 VanDerWaalsContact NE-CG 3.3Å; R275-D331 IonicContact NE-OD1 3.85Å; R275-D331 PolarHBondContact NE-OD1 3.13Å; R275-D331 IonicContact NE-OD2 3.55Å; R275-D331 IonicContact NH2-OD1 2.63Å; R275-D331 PolarHBondContact NH2-OD1 3.09Å; R275-D331 IonicContact NH2-OD2 3.36Å; R275-D331 PolarHBondContact NH2-OD2 3.12Å; N277-D331 VanDerWaalsContact CB-OD1 3.27Å; N277-D331 WeakPolarHBondContact CB-OD1 3.34Å; N277-D331 PolarHBondContact ND2-OD1 2.79Å; P329-D331 PolarHBondContact O-N 3.06Å; D331-F333 HydrophobicContact CB-CD2 4.16Å; D331-F333 HydrophobicContact CB-CE2 3.43Å; D331-F333 VanDerWaalsContact CB-CE2 3.43Å; D331-F333 HydrophobicContact CB-CZ 3.76Å |
| 332 | L | 96.2 | Very high | 90.8 | Very high | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 120.4 | 169.4 | -56.4 | 176 | 0 | 0 | 0 | 108.3 | P200 R275 V276 L328 P329 | P200-L332 HydrophobicContact CG-CB 3.59Å; P200-L332 VanDerWaalsContact CG-O 3.26Å; P200-L332 WeakPolarHBondContact CG-O 3.48Å; R275-L332 CarbonylContact C-O 3.59Å; R275-L332 WeakPolarHBondContact CA-O 3.47Å; R275-L332 WeakPolarHBondContact CG-O 3.29Å; V276-L332 HydrophobicContact CB-CB 4.45Å; V276-L332 PolarHBondContact N-O 2.79Å; V276-L332 PolarHBondContact O-N 3.27Å; L328-L332 HydrophobicContact CD1-CD1 4.34Å; P329-L332 HydrophobicContact CB-CD2 4.39Å; P329-L332 HydrophobicContact CG-CD2 4.27Å |
| 333 | F | 96.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 82.2 Ų | 82.2 | 21% | 0.206 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 147.2 | 177.5 | -63 | -90 | 0 | 0 | 0 | 110.9 | R275 D331 V337 Q339 | R275-F333 HydrophobicContact CB-CD1 4.32Å; R275-F333 VanDerWaalsContact CD-CE1 3.48Å; R275-F333 HydrophobicContact CG-CD1 4.05Å; R275-F333 HydrophobicContact CG-CE1 4.05Å; D331-F333 HydrophobicContact CB-CD2 4.16Å; D331-F333 HydrophobicContact CB-CE2 3.43Å; D331-F333 VanDerWaalsContact CB-CE2 3.43Å; D331-F333 HydrophobicContact CB-CZ 3.76Å; F333-V337 HydrophobicContact CD1-CG1 3.91Å; F333-Q339 HydrophobicContact CB-CG 4.42Å; F333-Q339 HydrophobicContact CD1-CG 4.27Å; F333-Q339 HydrophobicContact CD2-CG 4.02Å; F333-Q339 HydrophobicContact CE2-CG 4.33Å; F333-Q339 HydrophobicContact CG-CG 4Å |
| 334 | D | 96.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 85 Ų | 85 | 12% | 0.118 | 45% | 0.451 | C | S | . | . | trans | -71.4 | 146.7 | 164.9 | 175.6 | 97.3 | 0 | 0 | 0 | 109.8 | P200 G201 K272 W274 S336 V337 | P200-D334 HydrophobicContact CB-CB 3.86Å; G201-D334 WeakPolarHBondContact CA-OD1 3.17Å; G201-D334 PolarHBondContact N-OD1 3.15Å; K272-D334 WeakPolarHBondContact CE-OD1 3.48Å; K272-D334 IonicContact NZ-OD1 3.46Å; K272-D334 PolarHBondContact NZ-OD1 3.07Å; K272-D334 IonicContact NZ-OD2 2.66Å; K272-D334 PolarHBondContact NZ-OD2 2.77Å; W274-D334 HydrophobicContact CE3-CB 4.16Å; W274-D334 WeakPolarHBondContact O-CB 3.39Å; W274-D334 PolarHBondContact O-N 2.78Å; D334-S336 PolarHBondContact O-N 2.71Å; D334-S336 PolarHBondContact OD2-N 3.32Å; D334-S336 PolarHBondContact OD2-OG 3.45Å; D334-V337 HydrophobicContact CB-CG2 3.95Å; D334-V337 WeakPolarHBondContact O-CB 3.11Å; D334-V337 PolarHBondContact O-N 3.2Å | ||
| 335 | E | 95.5 | Very high | 92.4 | Very high | 179 Ų | 179 | 84.2 Ų | 84.2 | 84% | 0.836 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -34.1 | -172.6 | -65.1 | 173.4 | -176.4 | 0 | 0 | 113.5 | K112 | K112-E335 WeakPolarHBondContact CD-O 3.39Å; K112-E335 WeakPolarHBondContact CE-O 3.44Å; K112-E335 PolarHBondContact NZ-O 3.02Å |
| 336 | S | 94.5 | Very high | 93.2 | Very high | 34 Ų | 34 | 80.2 Ų | 80.2 | 24% | 0.238 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -7.4 | -177.4 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | T111 K112 W274 D334 | T111-S336 CarbonylContact C-O 3.57Å; T111-S336 VanDerWaalsContact CA-O 3.29Å; T111-S336 WeakPolarHBondContact CA-O 3.37Å; T111-S336 WeakPolarHBondContact CG2-O 3.37Å; K112-S336 PolarHBondContact N-O 3.36Å; W274-S336 VanDerWaalsContact CZ3-OG 3.25Å; W274-S336 WeakPolarHBondContact CZ3-OG 3.49Å; D334-S336 PolarHBondContact O-N 2.71Å; D334-S336 PolarHBondContact OD2-N 3.32Å; D334-S336 PolarHBondContact OD2-OG 3.45Å |
| 337 | V | 95.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 79.7 Ų | 79.7 | 1% | 0.012 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 131.1 | 179 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | L109 K112 W274 F333 D334 Q339 | L109-V337 HydrophobicContact CD1-CG1 4.07Å; L109-V337 HydrophobicContact CD1-CG2 4.49Å; L109-V337 HydrophobicContact CD2-CG1 3.98Å; L109-V337 HydrophobicContact CD2-CG2 4.03Å; L109-V337 HydrophobicContact CG-CG1 4.17Å; K112-V337 VanDerWaalsContact CE-O 3.27Å; K112-V337 WeakPolarHBondContact CE-O 3.32Å; W274-V337 HydrophobicContact CB-CG2 4.27Å; W274-V337 HydrophobicContact CD2-CG2 4.2Å; W274-V337 HydrophobicContact CE3-CG2 3.31Å; W274-V337 HydrophobicContact CZ3-CG2 3.86Å; F333-V337 HydrophobicContact CD1-CG1 3.91Å; D334-V337 HydrophobicContact CB-CG2 3.95Å; D334-V337 WeakPolarHBondContact O-CB 3.11Å; D334-V337 PolarHBondContact O-N 3.2Å; V337-Q339 PolarHBondContact O-N 3.14Å |
| 338 | W | 93 | Very high | 93.5 | Very high | 71 Ų | 71 | 78.6 Ų | 78.6 | 27% | 0.269 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -73 | 122.2 | 168.6 | -176 | 83.1 | 0 | 0 | 0 | 109.5 | W110 K112 E342 P343 I345 | W110-W338 PolarHBondContact O-N 3.47Å; K112-W338 HydrophobicContact CG-CB 4.35Å; W338-E342 WeakPolarHBondContact CZ2-O 3.45Å; W338-P343 PolarHBondContact NE1-O 3.35Å; W338-I345 HydrophobicContact CB-CD1 4.42Å; W338-I345 VanDerWaalsContact CD1-CG1 3.48Å; W338-I345 HydrophobicContact CG-CD1 4.14Å; W338-I345 HydrophobicContact CG-CG1 4.23Å |
| 339 | Q | 94 | Very high | 93.5 | Very high | 65 Ų | 65 | 81.1 Ų | 81.1 | 30% | 0.304 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -82 | 145.3 | -177.5 | -58.1 | -175.7 | 11.9 | 0 | 0 | 110.7 | F333 V337 S341 E342 | F333-Q339 HydrophobicContact CB-CG 4.42Å; F333-Q339 HydrophobicContact CD1-CG 4.27Å; F333-Q339 HydrophobicContact CD2-CG 4.02Å; F333-Q339 HydrophobicContact CE2-CG 4.33Å; F333-Q339 HydrophobicContact CG-CG 4Å; V337-Q339 PolarHBondContact O-N 3.14Å; Q339-S341 PolarHBondContact O-N 3.38Å; Q339-E342 HydrophobicContact CB-CB 4.49Å; Q339-E342 HydrophobicContact CB-CG 3.94Å; Q339-E342 HydrophobicContact CG-CG 4.47Å; Q339-E342 PolarHBondContact N-OE2 2.87Å; Q339-E342 WeakPolarHBondContact O-CB 3.23Å; Q339-E342 PolarHBondContact O-N 2.8Å |
| 340 | P | 89.8 | Confident | 93.5 | Very high | 90 Ų | 90 | 81.1 Ų | 81.1 | 58% | 0.584 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22 | 179.9 | -25.7 | 34.8 | 0 | 0 | 0 | 115.4 | ||
| 341 | S | 90.6 | Very high | 93.4 | Very high | 102 Ų | 102 | 80.1 Ų | 80.1 | 71% | 0.713 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -11.3 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | Q339 | Q339-S341 PolarHBondContact O-N 3.38Š|
| 342 | E | 91.7 | Very high | 93.3 | Very high | 52 Ų | 52 | 82.7 Ų | 82.7 | 24% | 0.243 | 48% | 0.482 | C | S | . | . | S | Bend | trans | -71.2 | 154.7 | 179.7 | -80.3 | 172.5 | 174 | 0 | 0 | 110.8 | K112 W338 Q339 | K112-E342 WeakPolarHBondContact CE-OE1 3.45Å; K112-E342 WeakPolarHBondContact CE-OE2 3.38Å; K112-E342 IonicContact NZ-OE1 2.81Å; K112-E342 PolarHBondContact NZ-OE1 3.27Å; W338-E342 WeakPolarHBondContact CZ2-O 3.45Å; Q339-E342 HydrophobicContact CB-CB 4.49Å; Q339-E342 HydrophobicContact CB-CG 3.94Å; Q339-E342 HydrophobicContact CG-CG 4.47Å; Q339-E342 PolarHBondContact N-OE2 2.87Å; Q339-E342 WeakPolarHBondContact O-CB 3.23Å; Q339-E342 PolarHBondContact O-N 2.8Å |
| 343 | P | 93.8 | Very high | 93.1 | Very high | 111 Ų | 111 | 86.3 Ų | 86.3 | 72% | 0.721 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 160.2 | 172.9 | 28.3 | -35.1 | 0 | 0 | 0 | 111.3 | W338 I345 | W338-P343 PolarHBondContact NE1-O 3.35Å; P343-I345 PolarHBondContact O-N 3.36Å |
| 344 | S | 92.8 | Very high | 92.9 | Very high | 105 Ų | 105 | 88.9 Ų | 88.9 | 73% | 0.734 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 137.9 | 172.9 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | T346 | S344-T346 PolarHBondContact O-N 3.05Š|
| 345 | I | 91.6 | Very high | 92.6 | Very high | 64 Ų | 64 | 93.6 Ų | 93.6 | 33% | 0.328 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 130.8 | -179.6 | -58.5 | 169.7 | 0 | 0 | 0 | 109.5 | W338 P343 F347 | W338-I345 HydrophobicContact CB-CD1 4.42Å; W338-I345 VanDerWaalsContact CD1-CG1 3.48Å; W338-I345 HydrophobicContact CG-CD1 4.14Å; W338-I345 HydrophobicContact CG-CG1 4.23Å; P343-I345 PolarHBondContact O-N 3.36Å; I345-F347 HydrophobicContact CG2-CD1 4.46Å; I345-F347 HydrophobicContact CG2-CD2 4.29Å; I345-F347 HydrophobicContact CG2-CE1 3.95Å; I345-F347 HydrophobicContact CG2-CE2 3.76Å; I345-F347 HydrophobicContact CG2-CZ 3.57Å |
| 346 | T | 92.7 | Very high | 92.4 | Very high | 120 Ų | 120 | 87.1 Ų | 87.1 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | trans | -120.3 | 120.4 | 172.8 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | S344 | S344-T346 PolarHBondContact O-N 3.05Š| ||
| 347 | F | 91.5 | Very high | 92.2 | Very high | 154 Ų | 154 | 91.5 Ų | 91.5 | 68% | 0.675 | 56% | 0.555 | S | S | * | * | trans | -93.5 | 93.8 | 171.2 | -56.7 | -78.6 | 0 | 0 | 0 | 107.8 | I345 | I345-F347 HydrophobicContact CG2-CD1 4.46Å; I345-F347 HydrophobicContact CG2-CD2 4.29Å; I345-F347 HydrophobicContact CG2-CE1 3.95Å; I345-F347 HydrophobicContact CG2-CE2 3.76Å; I345-F347 HydrophobicContact CG2-CZ 3.57Å | ||
| 348 | A | 89.3 | Confident | 91.9 | Very high | 162 Ų | 162 | 99.6 Ų | 99.6 | 100% | 1.339 | 60% | 0.604 | S | S | * | * | trans | -87.5 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 348 of 348 residues in 754 ms
(Link to these results)