| 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 | 41.8 | Very low | 42.5 | Very low | 243 Ų | 243 | 155.4 Ų | 155.4 | 100% | 1.197 | 88% | 0.877 | S | S | * | * | 0 | 112.9 | 0 | -73.8 | 179.7 | 175.9 | 0 | 0 | 108 | |||||
| 2 | R | 38.3 | Very low | 42.5 | Very low | 251 Ų | 251 | 155 Ų | 155 | 95% | 0.947 | 87% | 0.871 | S | S | * | * | trans | 57.3 | 92.1 | 168.8 | -64 | -177.6 | 178 | 145.1 | 0.2 | 118.8 | ||||
| 3 | A | 45.3 | Very low | 42.5 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 84% | 0.843 | 86% | 0.86 | S | S | * | * | trans | 173.5 | 77.5 | 141.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | C | 41.8 | Very low | 42.3 | Very low | 135 Ų | 135 | 153 Ų | 153 | 91% | 0.912 | 85% | 0.849 | S | S | * | * | trans | -169.1 | 41.8 | 149.5 | -127.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 5 | E | 46.6 | Very low | 42.2 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.874 | 85% | 0.845 | S | S | * | * | trans | -86.1 | 105.4 | 158.5 | -77.7 | 169.9 | 143.2 | 0 | 0 | 105.5 | ||||
| 6 | L | 43.1 | Very low | 42.1 | Very low | 163 Ų | 163 | 152.8 Ų | 152.8 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 179.7 | 123.7 | 154 | -94 | 174.9 | 0 | 0 | 0 | 106.9 | ||||
| 7 | L | 45.7 | Very low | 42.2 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 110.7 | 1.7 | 164.9 | -60.7 | 156.1 | 0 | 0 | 0 | 119.5 | S9 | L7-S9 PolarHBondContact O-N 3.39Š|
| 8 | T | 43.7 | Very low | 42.3 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 85% | 0.847 | 83% | 0.831 | S | S | * | * | trans | -98.8 | 61.4 | 166.3 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 9 | S | 42.4 | Very low | 42.4 | Very low | 117 Ų | 117 | 151.3 Ų | 151.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -121 | 81.4 | 170.3 | 61.2 | 0 | 0 | 0 | 0 | 109.2 | L7 | L7-S9 PolarHBondContact O-N 3.39Š| ||
| 10 | G | 41 | Very low | 42.6 | Very low | 79 Ų | 79 | 147.6 Ų | 147.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 166.8 | 44.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | D12 | G10-D12 PolarHBondContact O-N 3.34Š| ||
| 11 | L | 37.9 | Very low | 42.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | -90.2 | 96.7 | -175.2 | -150.9 | 82.2 | 0 | 0 | 0 | 108.8 | K13 | L11-K13 HydrophobicContact CD2-CD 4.07Å; L11-K13 VanDerWaalsContact CD2-CE 3.43Å; L11-K13 HydrophobicContact CD2-CG 3.5Å; L11-K13 VanDerWaalsContact CD2-CG 3.5Å; L11-K13 HydrophobicContact CG-CG 3.84Å | ||
| 12 | D | 43 | Very low | 42.5 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | -85.3 | 123 | 149.6 | -160.5 | -4.7 | 0 | 0 | 0 | 107.6 | G10 T14 | G10-D12 PolarHBondContact O-N 3.34Å; D12-T14 PolarHBondContact O-N 2.85Å | ||
| 13 | K | 41.4 | Very low | 42.7 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -101 | 72.8 | -165.1 | -70.5 | 177.3 | 179.5 | 173.3 | 0 | 109.9 | L11 | L11-K13 HydrophobicContact CD2-CD 4.07Å; L11-K13 VanDerWaalsContact CD2-CE 3.43Å; L11-K13 HydrophobicContact CD2-CG 3.5Å; L11-K13 VanDerWaalsContact CD2-CG 3.5Å; L11-K13 HydrophobicContact CG-CG 3.84Å | ||
| 14 | T | 39.8 | Very low | 42.6 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | trans | -159.8 | 140 | 163.9 | 44 | 0 | 0 | 0 | 0 | 109.5 | D12 | D12-T14 PolarHBondContact O-N 2.85Š| ||
| 15 | L | 41.7 | Very low | 43.2 | Very low | 152 Ų | 152 | 135.6 Ų | 135.6 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | 92.7 | 97 | 160.2 | -121.7 | 71.5 | 0 | 0 | 0 | 117.4 | ||||
| 16 | H | 40.3 | Very low | 43.4 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | 65.4 | 116.8 | 127.9 | -82.5 | -93.4 | 0 | 0 | 0 | 120.3 | |||||
| 17 | D | 44.2 | Very low | 43.6 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 67% | 0.668 | 73% | 0.734 | S | S | * | * | trans | 72.3 | 108.5 | 134.1 | -57.2 | -23.1 | 0 | 0 | 0 | 118.8 | V19 | D17-V19 PolarHBondContact O-N 2.95Š| ||
| 18 | H | 42.6 | Very low | 43.7 | Very low | 198 Ų | 198 | 125.7 Ų | 125.7 | 92% | 0.917 | 73% | 0.725 | S | S | * | * | trans | -62.6 | 65.6 | 169.7 | -68.9 | -78.7 | 0 | 0 | 0 | 113.4 | ||||
| 19 | V | 45.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 66% | 0.655 | 72% | 0.718 | S | S | * | * | trans | -123.5 | 93.3 | 169.5 | -169.8 | 0 | 0 | 0 | 0 | 109.4 | D17 V21 | D17-V19 PolarHBondContact O-N 2.95Å; V19-V21 HydrophobicContact CG1-CG2 3.78Å; V19-V21 PolarHBondContact O-N 2.81Å | ||
| 20 | A | 45.9 | Very low | 44 | Very low | 77 Ų | 77 | 126.7 Ų | 126.7 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | -79.9 | 103.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 21 | V | 41.2 | Very low | 44.1 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 57% | 0.57 | 72% | 0.718 | S | S | * | * | trans | -84.5 | 109.2 | 170 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | V19 I23 | V19-V21 HydrophobicContact CG1-CG2 3.78Å; V19-V21 PolarHBondContact O-N 2.81Å; V21-I23 HydrophobicContact CG1-CG1 3.94Å | ||
| 22 | V | 41.9 | Very low | 44.6 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | trans | -98.1 | 111.1 | 168.2 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | M24 | V22-M24 HydrophobicContact CG1-CG 3.97Š| ||
| 23 | I | 42.2 | Very low | 44.8 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 60% | 0.6 | 73% | 0.726 | S | S | * | * | trans | -87.9 | 111.2 | 175.3 | -54.7 | 175.7 | 0 | 0 | 0 | 107.4 | V21 | V21-I23 HydrophobicContact CG1-CG1 3.94Š| ||
| 24 | M | 43.5 | Very low | 45.1 | Very low | 140 Ų | 140 | 126 Ų | 126 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | trans | -126.5 | 128.2 | 165.6 | -64.5 | -72.7 | -87.5 | 0 | 0 | 107.6 | V22 G26 | V22-M24 HydrophobicContact CG1-CG 3.97Å; M24-G26 PolarHBondContact O-N 3.24Å | ||
| 25 | D | 54.6 | Low | 45.2 | Very low | 159 Ų | 159 | 125.7 Ų | 125.7 | 85% | 0.85 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.9 | 30.6 | 175.1 | -56.3 | -35 | 0 | 0 | 0 | 118.2 | I27 | D25-I27 VanDerWaalsContact C-N 3.29Å; D25-I27 PolarHBondContact O-N 2.86Å |
| 26 | G | 50.2 | Low | 45.8 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.8 | 11.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | M24 | M24-G26 PolarHBondContact O-N 3.24Š|
| 27 | I | 47.9 | Very low | 46.1 | Very low | 123 Ų | 123 | 121.7 Ų | 121.7 | 63% | 0.631 | 72% | 0.716 | S | S | * | * | trans | -114.5 | 109.8 | 175 | -57.9 | 174 | 0 | 0 | 0 | 108.3 | D25 Q29 | D25-I27 VanDerWaalsContact C-N 3.29Å; D25-I27 PolarHBondContact O-N 2.86Å; I27-Q29 HydrophobicContact CG2-CG 3.8Å; I27-Q29 PolarHBondContact O-N 2.66Å; I27-Q29 VanDerWaalsContact O-N 3.14Å | ||
| 28 | V | 47.8 | Very low | 46.4 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | -77.2 | 96 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 29 | Q | 42.3 | Very low | 47.1 | Very low | 150 Ų | 150 | 120.9 Ų | 120.9 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -102.1 | 126.5 | 166.7 | -64.2 | -147.8 | -87 | 0 | 0 | 109.7 | I27 F31 | I27-Q29 HydrophobicContact CG2-CG 3.8Å; I27-Q29 PolarHBondContact O-N 2.66Å; I27-Q29 VanDerWaalsContact O-N 3.14Å; Q29-F31 PolarHBondContact O-N 2.85Å | ||
| 30 | P | 49.5 | Very low | 47.4 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | trans | -69.8 | 101.2 | 173.9 | 28.3 | -31.4 | 0 | 0 | 0 | 108.9 | M32 | P30-M32 PolarHBondContact O-N 2.72Š| ||
| 31 | F | 43.9 | Very low | 47.6 | Very low | 186 Ų | 186 | 127.8 Ų | 127.8 | 82% | 0.816 | 73% | 0.729 | S | S | * | * | trans | -82 | 111.3 | 168 | -129.7 | -92 | 0 | 0 | 0 | 108 | Q29 A33 | Q29-F31 PolarHBondContact O-N 2.85Å; F31-A33 PolarHBondContact O-N 3.44Å; F31-A33 VanDerWaalsContact O-N 3.12Å | ||
| 32 | M | 47.2 | Very low | 48.3 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | -62.9 | 111 | 166 | -75.4 | -99.7 | -97.7 | 0 | 0 | 107.4 | P30 G34 | P30-M32 PolarHBondContact O-N 2.72Å; M32-G34 PolarHBondContact O-N 3.02Å | ||
| 33 | A | 47.8 | Very low | 48.9 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -66.8 | 85.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109 | F31 | F31-A33 PolarHBondContact O-N 3.44Å; F31-A33 VanDerWaalsContact O-N 3.12Å | ||
| 34 | G | 47.5 | Very low | 49.4 | Very low | 57 Ų | 57 | 125.2 Ų | 125.2 | 59% | 0.588 | 72% | 0.715 | S | S | * | * | trans | -137.8 | 102.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | M32 | M32-G34 PolarHBondContact O-N 3.02Š| ||
| 35 | C | 42.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | trans | 65.7 | 79.1 | 155.4 | -52.2 | 0 | 0 | 0 | 0 | 117.8 | S37 | C35-S37 PolarHBondContact O-N 3.46Å; C35-S37 VanDerWaalsContact O-N 3.16Å | ||
| 36 | V | 53.7 | Low | 49.9 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 93% | 0.927 | 70% | 0.697 | S | S | * | * | trans | -73.4 | 96.2 | 149.1 | 174.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 37 | S | 46.9 | Very low | 50.2 | Low | 64 Ų | 64 | 123.2 Ų | 123.2 | 45% | 0.448 | 69% | 0.685 | S | S | . | * | trans | -93.6 | 133.6 | 163 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | C35 Y39 | C35-S37 PolarHBondContact O-N 3.46Å; C35-S37 VanDerWaalsContact O-N 3.16Å; S37-Y39 PolarHBondContact O-N 3.16Å; S37-Y39 VanDerWaalsContact O-N 3.13Å | ||
| 38 | P | 50.8 | Low | 50.6 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -75.3 | 7.3 | -178.1 | 21.4 | -18.2 | 0 | 0 | 0 | 114.6 | ||
| 39 | Y | 55.5 | Low | 51.1 | Low | 189 Ų | 189 | 122.5 Ų | 122.5 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -114.9 | 102 | 175.9 | -76.3 | -87.1 | 0 | 0 | 0 | 111.3 | S37 Q41 | S37-Y39 PolarHBondContact O-N 3.16Å; S37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-Q41 VanDerWaalsContact C-N 3.29Å; Y39-Q41 PolarHBondContact O-N 3.26Å |
| 40 | N | 51.6 | Low | 51.7 | Low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 35.1 | -160.4 | -162.3 | 29.2 | 0 | 0 | 0 | 117.1 | ||
| 41 | Q | 51.5 | Low | 52 | Low | 170 Ų | 170 | 119.8 Ų | 119.8 | 79% | 0.794 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.2 | -8.5 | -180 | -76 | -171.6 | -8.4 | 0 | 0 | 117.1 | Y39 | Y39-Q41 VanDerWaalsContact C-N 3.29Å; Y39-Q41 PolarHBondContact O-N 3.26Å |
| 42 | V | 54.9 | Low | 52.7 | Low | 111 Ų | 111 | 114.1 Ų | 114.1 | 67% | 0.673 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -106.7 | -17.3 | -169.2 | -163.3 | 0 | 0 | 0 | 0 | 114.4 | S46 | V42-S46 PolarHBondContact O-OG 3.28Å; V42-S46 VanDerWaalsContact O-OG 3.13Å |
| 43 | C | 54.1 | Low | 53.3 | Low | 49 Ų | 49 | 110.2 Ų | 110.2 | 33% | 0.331 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -84.9 | -17 | -174.7 | -64 | 0 | 0 | 0 | 0 | 115 | S46 C47 | C43-S46 WeakPolarHBondContact CA-OG 3.4Å; C43-S46 PolarHBondContact O-OG 3.27Å; C43-C47 WeakPolarHBondContact O-CB 3.37Å; C43-C47 PolarHBondContact O-N 3.43Å |
| 44 | I | 54.3 | Low | 53.7 | Low | 114 Ų | 114 | 108.8 Ų | 108.8 | 59% | 0.585 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69.5 | -37.9 | -179.3 | -70.6 | 167.5 | 0 | 0 | 0 | 111 | L48 | I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 VanDerWaalsContact O-CD1 3.22Å; I44-L48 WeakPolarHBondContact O-CD1 3.14Å; I44-L48 PolarHBondContact O-N 2.6Å |
| 45 | W | 53.8 | Low | 54 | Low | 201 Ų | 201 | 110.1 Ų | 110.1 | 76% | 0.761 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71 | -41 | -179.7 | -72.6 | 62.9 | 0 | 0 | 0 | 111.5 | C47 L48 D49 | W45-C47 PolarHBondContact O-N 3.24Å; W45-L48 PolarHBondContact O-N 2.66Å; W45-D49 PolarHBondContact O-N 3.4Å |
| 46 | S | 54 | Low | 54.5 | Low | 55 Ų | 55 | 110.5 Ų | 110.5 | 39% | 0.385 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.4 | -33.5 | 177 | 20.8 | 0 | 0 | 0 | 0 | 112.5 | V42 C43 D49 I50 | V42-S46 PolarHBondContact O-OG 3.28Å; V42-S46 VanDerWaalsContact O-OG 3.13Å; C43-S46 WeakPolarHBondContact CA-OG 3.4Å; C43-S46 PolarHBondContact O-OG 3.27Å; S46-D49 PolarHBondContact O-N 3.12Å; S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 VanDerWaalsContact O-CD1 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.45Å; S46-I50 WeakPolarHBondContact O-CG1 3.35Å; S46-I50 PolarHBondContact O-N 3.38Å |
| 47 | C | 55.9 | Low | 54.8 | Low | 71 Ų | 71 | 108.1 Ų | 108.1 | 48% | 0.48 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -71.8 | -34.3 | 172.8 | -78.3 | 0 | 0 | 0 | 0 | 113.3 | C43 W45 I50 L51 | C43-C47 WeakPolarHBondContact O-CB 3.37Å; C43-C47 PolarHBondContact O-N 3.43Å; W45-C47 PolarHBondContact O-N 3.24Å; C47-I50 PolarHBondContact O-N 2.72Å; C47-L51 WeakPolarHBondContact O-CD1 3.3Å; C47-L51 PolarHBondContact O-N 3.42Å |
| 48 | L | 57.7 | Low | 55.6 | Low | 116 Ų | 116 | 114.1 Ų | 114.1 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.3 | -38.2 | 171.5 | -97.7 | 95.9 | 0 | 0 | 0 | 111.7 | I44 W45 S52 | I44-L48 HydrophobicContact CG2-CD1 3.89Å; I44-L48 VanDerWaalsContact O-CD1 3.22Å; I44-L48 WeakPolarHBondContact O-CD1 3.14Å; I44-L48 PolarHBondContact O-N 2.6Å; W45-L48 PolarHBondContact O-N 2.66Å; L48-S52 WeakPolarHBondContact O-CB 3.12Å; L48-S52 PolarHBondContact O-N 2.85Å |
| 49 | D | 56.9 | Low | 56.7 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 57% | 0.572 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70 | -33.1 | 176.5 | -69.5 | -34.9 | 0 | 0 | 0 | 112.4 | W45 S46 S52 S53 | W45-D49 PolarHBondContact O-N 3.4Å; S46-D49 PolarHBondContact O-N 3.12Å; D49-S52 PolarHBondContact O-N 3.4Å; D49-S53 WeakPolarHBondContact O-CB 3.5Å; D49-S53 PolarHBondContact O-N 2.87Å |
| 50 | I | 56.1 | Low | 57.8 | Low | 100 Ų | 100 | 105.8 Ų | 105.8 | 51% | 0.513 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.1 | -39.9 | 175.4 | -68 | 162.3 | 0 | 0 | 0 | 111.4 | S46 C47 S52 S53 S54 | S46-I50 WeakPolarHBondContact O-CB 3.3Å; S46-I50 VanDerWaalsContact O-CD1 3.3Å; S46-I50 WeakPolarHBondContact O-CD1 3.45Å; S46-I50 WeakPolarHBondContact O-CG1 3.35Å; S46-I50 PolarHBondContact O-N 3.38Å; C47-I50 PolarHBondContact O-N 2.72Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S53 PolarHBondContact O-N 3.48Å; I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 2.8Å; I50-S54 VanDerWaalsContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 3.19Å |
| 51 | L | 55.4 | Low | 59.1 | Low | 119 Ų | 119 | 102.3 Ų | 102.3 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.4 | -36.2 | 170.9 | -97.9 | 79.3 | 0 | 0 | 0 | 111.7 | C47 S53 V55 | C47-L51 WeakPolarHBondContact O-CD1 3.3Å; C47-L51 PolarHBondContact O-N 3.42Å; L51-S53 VanDerWaalsContact C-N 3.34Å; L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.89Å |
| 52 | S | 59.2 | Low | 60.7 | Low | 66 Ų | 66 | 97.5 Ų | 97.5 | 46% | 0.462 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -77.3 | -15.5 | 178.7 | -166.7 | 0 | 0 | 0 | 0 | 113.7 | L48 D49 I50 F56 | L48-S52 WeakPolarHBondContact O-CB 3.12Å; L48-S52 PolarHBondContact O-N 2.85Å; D49-S52 PolarHBondContact O-N 3.4Å; I50-S52 VanDerWaalsContact C-N 3.34Å; S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 WeakPolarHBondContact O-CD2 3.44Å; S52-F56 WeakPolarHBondContact O-CG 3.27Å |
| 53 | S | 58.4 | Low | 62.1 | Low | 84 Ų | 84 | 94.8 Ų | 94.8 | 59% | 0.587 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -97.8 | -25.8 | 173.6 | -167.3 | 0 | 0 | 0 | 0 | 113.1 | D49 I50 L51 | D49-S53 WeakPolarHBondContact O-CB 3.5Å; D49-S53 PolarHBondContact O-N 2.87Å; I50-S53 PolarHBondContact O-N 3.48Å; L51-S53 VanDerWaalsContact C-N 3.34Å |
| 54 | S | 56.3 | Low | 63.7 | Low | 70 Ų | 70 | 96.8 Ų | 96.8 | 49% | 0.49 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -89.2 | -28.4 | -176.6 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | I50 F56 | I50-S54 WeakPolarHBondContact O-CB 3.36Å; I50-S54 PolarHBondContact O-N 2.8Å; I50-S54 VanDerWaalsContact O-N 3.11Å; I50-S54 PolarHBondContact O-OG 3.19Å; S54-F56 VanDerWaalsContact C-N 3.34Å |
| 55 | V | 55.3 | Low | 65.4 | Low | 85 Ų | 85 | 96.6 Ų | 96.6 | 52% | 0.515 | 53% | 0.53 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -17.1 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 111.6 | L51 | L51-V55 WeakPolarHBondContact O-CG2 3.49Å; L51-V55 PolarHBondContact O-N 2.89Å |
| 56 | F | 52.9 | Low | 67.1 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 14.8 | 177.3 | -74 | -97.8 | 0 | 0 | 0 | 113.7 | S52 S54 K58 L61 | S52-F56 WeakPolarHBondContact O-CB 3.22Å; S52-F56 WeakPolarHBondContact O-CD2 3.44Å; S52-F56 WeakPolarHBondContact O-CG 3.27Å; S54-F56 VanDerWaalsContact C-N 3.34Å; F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.12Å; F56-L61 HydrophobicContact CD1-CD2 4.05Å; F56-L61 HydrophobicContact CE1-CD2 3.78Å |
| 57 | D | 59.2 | Low | 68.8 | Low | 103 Ų | 103 | 93.4 Ų | 93.4 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | S | Bend | trans | -72 | 87.5 | 176.2 | -130.3 | -38.3 | 0 | 0 | 0 | 110.9 | G59 | D57-G59 PolarHBondContact O-N 3.22Š|
| 58 | K | 63.6 | Low | 70.6 | Confident | 191 Ų | 191 | 94.5 Ų | 94.5 | 83% | 0.83 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 2.9 | 154.5 | -61.9 | -177.1 | -174.7 | 117.1 | 0 | 121.1 | F56 | F56-K58 VanDerWaalsContact C-N 3.31Å; F56-K58 PolarHBondContact O-N 3.12Å |
| 59 | G | 73.2 | Confident | 72.3 | Confident | 37 Ų | 37 | 95.8 Ų | 95.8 | 38% | 0.381 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | -36 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D57 P62 A63 | D57-G59 PolarHBondContact O-N 3.22Å; G59-P62 WeakPolarHBondContact O-CD 3.3Å; G59-P62 WeakPolarHBondContact O-CG 3.49Å; G59-A63 WeakPolarHBondContact O-CB 3.15Å; G59-A63 PolarHBondContact O-N 3.03Å; G59-A63 VanDerWaalsContact O-N 3.07Å |
| 60 | I | 79.8 | Confident | 74 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 48% | 0.482 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.3 | -49.6 | -168.5 | -58.7 | 172.4 | 0 | 0 | 0 | 111.9 | A63 L64 | I60-A63 PolarHBondContact O-N 2.89Å; I60-L64 HydrophobicContact CG2-CD1 4.1Å; I60-L64 HydrophobicContact CG2-CG 4.37Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.91Å |
| 61 | L | 78.4 | Confident | 75.8 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 46% | 0.461 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 179.1 | -166.1 | 74.7 | 0 | 0 | 0 | 113.3 | F56 A63 L64 M65 | F56-L61 HydrophobicContact CD1-CD2 4.05Å; F56-L61 HydrophobicContact CE1-CD2 3.78Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.05Å; L61-L64 PolarHBondContact O-N 3.33Å; L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.43Å; L61-M65 PolarHBondContact O-N 2.87Å |
| 62 | P | 84.6 | Confident | 77.5 | Confident | 68 Ų | 68 | 93.1 Ų | 93.1 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 175.5 | 24.2 | -32.4 | 0 | 0 | 0 | 112.2 | G59 M65 L66 | G59-P62 WeakPolarHBondContact O-CD 3.3Å; G59-P62 WeakPolarHBondContact O-CG 3.49Å; P62-M65 PolarHBondContact O-N 2.77Å; P62-L66 WeakPolarHBondContact O-CB 3.26Å; P62-L66 VanDerWaalsContact O-CG 3.24Å; P62-L66 WeakPolarHBondContact O-CG 3.4Å; P62-L66 PolarHBondContact O-N 3.45Å |
| 63 | A | 85.9 | Confident | 79 | Confident | 54 Ų | 54 | 92.8 Ų | 92.8 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G59 I60 L61 L66 L67 | G59-A63 WeakPolarHBondContact O-CB 3.15Å; G59-A63 PolarHBondContact O-N 3.03Å; G59-A63 VanDerWaalsContact O-N 3.07Å; I60-A63 PolarHBondContact O-N 2.89Å; L61-A63 VanDerWaalsContact C-N 3.29Å; L61-A63 PolarHBondContact O-N 3.05Å; A63-L66 PolarHBondContact O-N 3.28Å; A63-L67 VanDerWaalsContact O-CB 3.23Å; A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 PolarHBondContact O-N 2.76Å |
| 64 | L | 87.7 | Confident | 80.7 | Confident | 91 Ų | 91 | 93.5 Ų | 93.5 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 174.7 | -71.4 | 177.5 | 0 | 0 | 0 | 111.8 | I60 L61 L67 L68 | I60-L64 HydrophobicContact CG2-CD1 4.1Å; I60-L64 HydrophobicContact CG2-CG 4.37Å; I60-L64 WeakPolarHBondContact O-CG 3.4Å; I60-L64 PolarHBondContact O-N 2.91Å; L61-L64 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 3.17Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.76Å |
| 65 | M | 88.8 | Confident | 82.3 | Confident | 111 Ų | 111 | 96 Ų | 96 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.4 | -76.4 | -55.2 | -44.5 | 0 | 0 | 112.3 | L61 P62 L68 F69 | L61-M65 WeakPolarHBondContact O-CB 3.5Å; L61-M65 WeakPolarHBondContact O-CG 3.43Å; L61-M65 PolarHBondContact O-N 2.87Å; P62-M65 PolarHBondContact O-N 2.77Å; M65-L68 PolarHBondContact O-N 3.04Å; M65-F69 WeakPolarHBondContact O-CB 3.26Å; M65-F69 PolarHBondContact O-N 3.09Å |
| 66 | L | 89.7 | Confident | 84.1 | Confident | 99 Ų | 99 | 97.1 Ų | 97.1 | 52% | 0.518 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 174 | -70.6 | 173.3 | 0 | 0 | 0 | 110.9 | P62 A63 L68 F69 F70 | P62-L66 WeakPolarHBondContact O-CB 3.26Å; P62-L66 VanDerWaalsContact O-CG 3.24Å; P62-L66 WeakPolarHBondContact O-CG 3.4Å; P62-L66 PolarHBondContact O-N 3.45Å; A63-L66 PolarHBondContact O-N 3.28Å; L66-L68 PolarHBondContact O-N 2.94Å; L66-F69 PolarHBondContact O-N 3.05Å; L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.42Å; L66-F70 HydrophobicContact CD2-CE2 4.15Å; L66-F70 WeakPolarHBondContact O-CD2 3.26Å; L66-F70 PolarHBondContact O-N 3.35Å |
| 67 | L | 90.5 | Very high | 85.9 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 177.4 | -175.4 | 145 | 0 | 0 | 0 | 111.5 | A63 L64 F70 I71 | A63-L67 VanDerWaalsContact O-CB 3.23Å; A63-L67 WeakPolarHBondContact O-CB 3.24Å; A63-L67 PolarHBondContact O-N 2.76Å; L64-L67 PolarHBondContact O-N 3.17Å; L67-F70 PolarHBondContact O-N 2.98Å; L67-I71 HydrophobicContact CD1-CD1 4.17Å; L67-I71 HydrophobicContact CD2-CD1 3.5Å; L67-I71 HydrophobicContact CD2-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.5Å; L67-I71 VanDerWaalsContact CG-CD1 3.5Å; L67-I71 HydrophobicContact CG-CG1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.83Å |
| 68 | L | 92.7 | Very high | 87.5 | Confident | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 174.6 | -67.5 | 175.9 | 0 | 0 | 0 | 111.9 | L64 M65 L66 F70 V72 | L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 2.76Å; M65-L68 PolarHBondContact O-N 3.04Å; L66-L68 PolarHBondContact O-N 2.94Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.78Å; L68-V72 HydrophobicContact CD2-CG2 4.35Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.35Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.19Å |
| 69 | F | 93.6 | Very high | 89 | Confident | 143 Ų | 143 | 93.9 Ų | 93.9 | 63% | 0.627 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -31.3 | 178.8 | -174.7 | -96.6 | 0 | 0 | 0 | 113.2 | M65 L66 P73 | M65-F69 WeakPolarHBondContact O-CB 3.26Å; M65-F69 PolarHBondContact O-N 3.09Å; L66-F69 PolarHBondContact O-N 3.05Å; F69-P73 WeakPolarHBondContact O-CD 3.47Å; F69-P73 WeakPolarHBondContact O-CG 3.48Å |
| 70 | F | 93 | Very high | 89.7 | Confident | 121 Ų | 121 | 93.9 Ų | 93.9 | 53% | 0.531 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -91.7 | -45.6 | 175.7 | -70.2 | -69 | 0 | 0 | 0 | 112.7 | L66 L67 L68 I74 | L66-F70 HydrophobicContact CB-CD2 4.45Å; L66-F70 HydrophobicContact CB-CE2 4.42Å; L66-F70 HydrophobicContact CD2-CE2 4.15Å; L66-F70 WeakPolarHBondContact O-CD2 3.26Å; L66-F70 PolarHBondContact O-N 3.35Å; L67-F70 PolarHBondContact O-N 2.98Å; L68-F70 VanDerWaalsContact C-N 3.31Å; L68-F70 PolarHBondContact O-N 2.78Å; F70-I74 WeakPolarHBondContact O-CB 3.41Å; F70-I74 WeakPolarHBondContact O-CD1 3.03Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 2.81Å |
| 71 | I | 92.8 | Very high | 90.2 | Very high | 77 Ų | 77 | 95.2 Ų | 95.2 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | -174.8 | -65.7 | -175.7 | 0 | 0 | 0 | 111.5 | L67 I74 E75 | L67-I71 HydrophobicContact CD1-CD1 4.17Å; L67-I71 HydrophobicContact CD2-CD1 3.5Å; L67-I71 HydrophobicContact CD2-CG1 4.37Å; L67-I71 HydrophobicContact CG-CD1 3.5Å; L67-I71 VanDerWaalsContact CG-CD1 3.5Å; L67-I71 HydrophobicContact CG-CG1 4.22Å; L67-I71 WeakPolarHBondContact O-CB 3.49Å; L67-I71 WeakPolarHBondContact O-CG1 3.48Å; L67-I71 PolarHBondContact O-N 2.83Å; I71-I74 PolarHBondContact O-N 3.44Å; I71-E75 HydrophobicContact CG2-CG 4.03Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.01Å |
| 72 | V | 92.5 | Very high | 90.8 | Very high | 71 Ų | 71 | 96 Ų | 96 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | -175.4 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L68 I74 E75 L76 | L68-V72 HydrophobicContact CD2-CG2 4.35Å; L68-V72 VanDerWaalsContact O-CB 3.23Å; L68-V72 WeakPolarHBondContact O-CB 3.35Å; L68-V72 VanDerWaalsContact O-CG2 3.3Å; L68-V72 WeakPolarHBondContact O-CG2 3.28Å; L68-V72 PolarHBondContact O-N 3.19Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 3.05Å; V72-E75 PolarHBondContact O-N 2.87Å; V72-L76 HydrophobicContact CG1-CD1 3.5Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.5Å; V72-L76 PolarHBondContact O-N 3.47Å |
| 73 | P | 90.9 | Very high | 90.8 | Very high | 60 Ų | 60 | 98.2 Ų | 98.2 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 174.1 | -27.1 | 38.7 | 0 | 0 | 0 | 113.3 | F69 L76 Q77 | F69-P73 WeakPolarHBondContact O-CD 3.47Å; F69-P73 WeakPolarHBondContact O-CG 3.48Å; P73-L76 PolarHBondContact O-N 2.98Å; P73-Q77 WeakPolarHBondContact O-CB 3.43Å; P73-Q77 VanDerWaalsContact O-CG 3.22Å; P73-Q77 WeakPolarHBondContact O-CG 3.46Å; P73-Q77 PolarHBondContact O-N 2.93Å |
| 74 | I | 93 | Very high | 90.6 | Very high | 99 Ų | 99 | 103.9 Ų | 103.9 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 177.4 | -69.4 | 166.4 | 0 | 0 | 0 | 110.4 | F70 I71 V72 L76 Q77 V78 | F70-I74 WeakPolarHBondContact O-CB 3.41Å; F70-I74 WeakPolarHBondContact O-CD1 3.03Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 2.81Å; I71-I74 PolarHBondContact O-N 3.44Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 3.05Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 2.94Å; I74-Q77 PolarHBondContact O-N 3.24Å; I74-V78 HydrophobicContact CG2-CG2 4.17Å; I74-V78 WeakPolarHBondContact O-CB 3.3Å; I74-V78 VanDerWaalsContact O-CG2 3.26Å; I74-V78 WeakPolarHBondContact O-CG2 3.3Å; I74-V78 PolarHBondContact O-N 3.47Å |
| 75 | E | 90.7 | Very high | 90.5 | Very high | 121 Ų | 121 | 108.6 Ų | 108.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.8 | -40.9 | 176.3 | -72.8 | -66.8 | 162.7 | 0 | 0 | 111.9 | I71 V72 V78 K79 | I71-E75 HydrophobicContact CG2-CG 4.03Å; I71-E75 WeakPolarHBondContact O-CG 3.4Å; I71-E75 PolarHBondContact O-N 3.01Å; V72-E75 PolarHBondContact O-N 2.87Å; E75-V78 PolarHBondContact O-N 2.87Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.13Å |
| 76 | L | 91.6 | Very high | 90.1 | Very high | 110 Ų | 110 | 106.2 Ų | 106.2 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.9 | -43.8 | 174.2 | -91.5 | 131.1 | 0 | 0 | 0 | 112 | V72 P73 I74 A80 | V72-L76 HydrophobicContact CG1-CD1 3.5Å; V72-L76 WeakPolarHBondContact O-CB 3.46Å; V72-L76 VanDerWaalsContact O-CD1 3.26Å; V72-L76 WeakPolarHBondContact O-CD1 3.5Å; V72-L76 PolarHBondContact O-N 3.47Å; P73-L76 PolarHBondContact O-N 2.98Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 2.94Å; L76-A80 WeakPolarHBondContact O-CB 3.46Å; L76-A80 PolarHBondContact O-N 3.35Å |
| 77 | Q | 91.7 | Very high | 89.6 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 177.4 | -68.1 | -60.4 | -32.6 | 0 | 0 | 111.4 | P73 I74 A80 Q81 | P73-Q77 WeakPolarHBondContact O-CB 3.43Å; P73-Q77 VanDerWaalsContact O-CG 3.22Å; P73-Q77 WeakPolarHBondContact O-CG 3.46Å; P73-Q77 PolarHBondContact O-N 2.93Å; I74-Q77 PolarHBondContact O-N 3.24Å; Q77-A80 PolarHBondContact O-N 3.18Å; Q77-Q81 WeakPolarHBondContact O-CA 3.44Å; Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 PolarHBondContact O-N 2.74Å |
| 78 | V | 93.7 | Very high | 89.2 | Confident | 79 Ų | 79 | 106.9 Ų | 106.9 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 110.2 | I74 E75 Q81 N82 | I74-V78 HydrophobicContact CG2-CG2 4.17Å; I74-V78 WeakPolarHBondContact O-CB 3.3Å; I74-V78 VanDerWaalsContact O-CG2 3.26Å; I74-V78 WeakPolarHBondContact O-CG2 3.3Å; I74-V78 PolarHBondContact O-N 3.47Å; E75-V78 PolarHBondContact O-N 2.87Å; V78-Q81 PolarHBondContact O-N 3.47Å; V78-N82 WeakPolarHBondContact O-CB 3.34Å; V78-N82 PolarHBondContact O-N 2.92Å |
| 79 | K | 93.2 | Very high | 88.7 | Confident | 146 Ų | 146 | 105.3 Ų | 105.3 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.4 | -41.7 | 176.4 | -170.9 | 170.7 | -176.9 | 173.9 | 0 | 111.8 | E75 N82 R83 | E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 PolarHBondContact O-N 3.13Å; K79-N82 PolarHBondContact O-N 2.72Å; K79-R83 WeakPolarHBondContact O-CB 3.24Å; K79-R83 PolarHBondContact O-N 2.74Å |
| 80 | A | 89.3 | Confident | 88.3 | Confident | 38 Ų | 38 | 101 Ų | 101 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L76 Q77 R84 | L76-A80 WeakPolarHBondContact O-CB 3.46Å; L76-A80 PolarHBondContact O-N 3.35Å; Q77-A80 PolarHBondContact O-N 3.18Å; A80-R84 WeakPolarHBondContact O-CB 3.46Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.48Å |
| 81 | Q | 90.1 | Very high | 88 | Confident | 122 Ų | 122 | 102 Ų | 102 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.6 | -42 | 175.2 | -178.7 | 178.1 | -22.8 | 0 | 0 | 110.8 | Q77 V78 R83 R84 R85 | Q77-Q81 WeakPolarHBondContact O-CA 3.44Å; Q77-Q81 WeakPolarHBondContact O-CB 3.35Å; Q77-Q81 PolarHBondContact O-N 2.74Å; V78-Q81 PolarHBondContact O-N 3.47Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; Q81-R84 PolarHBondContact O-N 3.11Å; Q81-R85 WeakPolarHBondContact O-CB 3.26Å; Q81-R85 PolarHBondContact O-N 2.82Å |
| 82 | N | 89.8 | Confident | 87.7 | Confident | 105 Ų | 105 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 175.6 | -172.7 | 54 | 0 | 0 | 0 | 110.9 | V78 K79 R85 S86 | V78-N82 WeakPolarHBondContact O-CB 3.34Å; V78-N82 PolarHBondContact O-N 2.92Å; K79-N82 PolarHBondContact O-N 2.72Å; N82-R85 PolarHBondContact O-N 3.39Å; N82-S86 PolarHBondContact O-N 3.44Å; N82-S86 PolarHBondContact O-OG 3.01Å |
| 83 | R | 85.7 | Confident | 87.6 | Confident | 114 Ų | 114 | 103.2 Ų | 103.2 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 173.6 | -163.3 | -177 | -170.6 | -75.7 | 10.8 | 111.4 | K79 Q81 R85 S86 D87 | K79-R83 WeakPolarHBondContact O-CB 3.24Å; K79-R83 PolarHBondContact O-N 2.74Å; Q81-R83 VanDerWaalsContact C-N 3.34Å; R83-R85 VanDerWaalsContact C-N 3.31Å; R83-R85 PolarHBondContact O-N 2.89Å; R83-S86 WeakPolarHBondContact CA-OG 3.33Å; R83-S86 PolarHBondContact O-N 2.81Å; R83-S86 PolarHBondContact O-OG 2.63Å; R83-D87 IonicContact NH1-OD2 2.73Å; R83-D87 PolarHBondContact NH1-OD2 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.72Å |
| 84 | R | 82.1 | Confident | 87.4 | Confident | 173 Ų | 173 | 100.4 Ų | 100.4 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 173.8 | -81.4 | -164.4 | -91.7 | -130.7 | 1.6 | 112.4 | A80 Q81 D87 F88 | A80-R84 WeakPolarHBondContact O-CB 3.46Å; A80-R84 WeakPolarHBondContact O-CG 3.46Å; A80-R84 PolarHBondContact O-N 3.48Å; Q81-R84 PolarHBondContact O-N 3.11Å; R84-D87 PolarHBondContact O-N 3.44Å; R84-F88 WeakPolarHBondContact O-CB 3.33Å; R84-F88 PolarHBondContact O-N 3.39Å |
| 85 | R | 84.8 | Confident | 87.2 | Confident | 189 Ų | 189 | 100.4 Ų | 100.4 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -69 | -34.6 | 179.2 | -173.3 | 175.5 | -174.7 | 161.6 | 2.6 | 112 | Q81 N82 R83 P89 | Q81-R85 WeakPolarHBondContact O-CB 3.26Å; Q81-R85 PolarHBondContact O-N 2.82Å; N82-R85 PolarHBondContact O-N 3.39Å; R83-R85 VanDerWaalsContact C-N 3.31Å; R83-R85 PolarHBondContact O-N 2.89Å; R85-P89 WeakPolarHBondContact O-CD 3.34Å |
| 86 | S | 79.8 | Confident | 87.1 | Confident | 62 Ų | 62 | 96 Ų | 96 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -74 | -36.8 | 173.3 | 61.9 | 0 | 0 | 0 | 0 | 112 | N82 R83 P89 | N82-S86 PolarHBondContact O-N 3.44Å; N82-S86 PolarHBondContact O-OG 3.01Å; R83-S86 WeakPolarHBondContact CA-OG 3.33Å; R83-S86 PolarHBondContact O-N 2.81Å; R83-S86 PolarHBondContact O-OG 2.63Å; S86-P89 WeakPolarHBondContact O-CD 3.38Å; S86-P89 WeakPolarHBondContact O-CG 3.27Å |
| 87 | D | 80.6 | Confident | 86.9 | Confident | 60 Ų | 60 | 91.5 Ų | 91.5 | 32% | 0.321 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -72.3 | -34.4 | -178.7 | -65.9 | -20.9 | 0 | 0 | 0 | 111.7 | R83 R84 V90 R91 | R83-D87 IonicContact NH1-OD2 2.73Å; R83-D87 PolarHBondContact NH1-OD2 3.25Å; R83-D87 WeakPolarHBondContact O-CB 3.44Å; R83-D87 PolarHBondContact O-N 2.72Å; R84-D87 PolarHBondContact O-N 3.44Å; D87-V90 PolarHBondContact O-N 3.34Å; D87-R91 WeakPolarHBondContact O-CB 3.39Å; D87-R91 VanDerWaalsContact O-CG 3.27Å; D87-R91 WeakPolarHBondContact O-CG 3.42Å; D87-R91 PolarHBondContact O-N 2.81Å |
| 88 | F | 81.6 | Confident | 86.8 | Confident | 141 Ų | 141 | 86.4 Ų | 86.4 | 62% | 0.618 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -57.9 | -54 | -176.8 | -173 | -103.6 | 0 | 0 | 0 | 115.3 | R84 V90 R91 I92 | R84-F88 WeakPolarHBondContact O-CB 3.33Å; R84-F88 PolarHBondContact O-N 3.39Å; F88-V90 VanDerWaalsContact C-N 3.29Å; F88-V90 PolarHBondContact O-N 2.97Å; F88-R91 PolarHBondContact O-N 3.35Å; F88-I92 HydrophobicContact CD1-CD1 3.68Å; F88-I92 HydrophobicContact CD2-CD1 4.46Å; F88-I92 HydrophobicContact CE1-CD1 3.22Å; F88-I92 HydrophobicContact CE1-CG1 4.43Å; F88-I92 HydrophobicContact CE2-CD1 4.08Å; F88-I92 HydrophobicContact CG-CD1 4.3Å; F88-I92 HydrophobicContact CZ-CD1 3.46Å; F88-I92 VanDerWaalsContact CZ-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CG1 4.43Å; F88-I92 WeakPolarHBondContact O-CG1 3.1Å; F88-I92 PolarHBondContact O-N 2.84Å |
| 89 | P | 83.2 | Confident | 86.5 | Confident | 62 Ų | 62 | 88.2 Ų | 88.2 | 40% | 0.403 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 179.2 | 25.5 | -34.4 | 0 | 0 | 0 | 112 | R85 S86 I92 L93 | R85-P89 WeakPolarHBondContact O-CD 3.34Å; S86-P89 WeakPolarHBondContact O-CD 3.38Å; S86-P89 WeakPolarHBondContact O-CG 3.27Å; P89-I92 PolarHBondContact O-N 3.06Å; P89-L93 VanDerWaalsContact O-CG 3.27Å; P89-L93 WeakPolarHBondContact O-CG 3.39Å; P89-L93 PolarHBondContact O-N 3.13Å |
| 90 | V | 84.4 | Confident | 86.2 | Confident | 53 Ų | 53 | 91.3 Ų | 91.3 | 32% | 0.321 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 179.4 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | D87 F88 L93 A94 H176 | D87-V90 PolarHBondContact O-N 3.34Å; F88-V90 VanDerWaalsContact C-N 3.29Å; F88-V90 PolarHBondContact O-N 2.97Å; V90-L93 PolarHBondContact O-N 2.87Å; V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 2.85Å; V90-H176 WeakPolarHBondContact CG1-NE2 3.44Å |
| 91 | R | 85.8 | Confident | 86 | Confident | 143 Ų | 143 | 90.7 Ų | 90.7 | 54% | 0.54 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.1 | -74.4 | 179.4 | 124.6 | -157.4 | -3 | 112.2 | D87 F88 L93 A94 E95 | D87-R91 WeakPolarHBondContact O-CB 3.39Å; D87-R91 VanDerWaalsContact O-CG 3.27Å; D87-R91 WeakPolarHBondContact O-CG 3.42Å; D87-R91 PolarHBondContact O-N 2.81Å; F88-R91 PolarHBondContact O-N 3.35Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 2.99Å; R91-A94 PolarHBondContact O-N 3.03Å; R91-E95 WeakPolarHBondContact O-CB 3.17Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.46Å |
| 92 | I | 88.2 | Confident | 86 | Confident | 76 Ų | 76 | 91.1 Ų | 91.1 | 39% | 0.39 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 175.3 | -70.5 | 172.2 | 0 | 0 | 0 | 111.2 | F88 P89 E95 A96 | F88-I92 HydrophobicContact CD1-CD1 3.68Å; F88-I92 HydrophobicContact CD2-CD1 4.46Å; F88-I92 HydrophobicContact CE1-CD1 3.22Å; F88-I92 HydrophobicContact CE1-CG1 4.43Å; F88-I92 HydrophobicContact CE2-CD1 4.08Å; F88-I92 HydrophobicContact CG-CD1 4.3Å; F88-I92 HydrophobicContact CZ-CD1 3.46Å; F88-I92 VanDerWaalsContact CZ-CD1 3.46Å; F88-I92 HydrophobicContact CZ-CG1 4.43Å; F88-I92 WeakPolarHBondContact O-CG1 3.1Å; F88-I92 PolarHBondContact O-N 2.84Å; P89-I92 PolarHBondContact O-N 3.06Å; I92-E95 PolarHBondContact O-N 3.44Å; I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.47Å |
| 93 | L | 88.5 | Confident | 86 | Confident | 97 Ų | 97 | 90.1 Ų | 90.1 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -41.6 | 177.6 | -71.2 | 168.6 | 0 | 0 | 0 | 111.7 | P89 V90 R91 A96 A97 V186 | P89-L93 VanDerWaalsContact O-CG 3.27Å; P89-L93 WeakPolarHBondContact O-CG 3.39Å; P89-L93 PolarHBondContact O-N 3.13Å; V90-L93 PolarHBondContact O-N 2.87Å; R91-L93 VanDerWaalsContact C-N 3.33Å; R91-L93 PolarHBondContact O-N 2.99Å; L93-A96 PolarHBondContact O-N 3.13Å; L93-A97 WeakPolarHBondContact O-CB 2.96Å; L93-A97 PolarHBondContact O-N 3.49Å; L93-V186 HydrophobicContact CB-CG1 3.99Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CG1 4.1Å |
| 94 | A | 87.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 88.5 Ų | 88.5 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | V90 R91 A97 L98 L173 H176 V186 | V90-A94 WeakPolarHBondContact O-CB 3.46Å; V90-A94 PolarHBondContact O-N 2.85Å; R91-A94 PolarHBondContact O-N 3.03Å; A94-A97 PolarHBondContact O-N 2.96Å; A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 3.37Å; A94-L173 HydrophobicContact CB-CD2 4.49Å; A94-H176 WeakPolarHBondContact CB-ND1 3.45Å; A94-V186 HydrophobicContact CB-CG2 4.28Å |
| 95 | E | 89.3 | Confident | 86.4 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.5 | -74.3 | 174.6 | -173.9 | 0 | 0 | 111.6 | R91 I92 A97 L98 T99 L173 | R91-E95 WeakPolarHBondContact O-CB 3.17Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.46Å; I92-E95 PolarHBondContact O-N 3.44Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.17Å; E95-L98 PolarHBondContact O-N 3.44Å; E95-T99 WeakPolarHBondContact O-CG2 3.27Å; E95-T99 PolarHBondContact O-N 2.88Å; E95-T99 PolarHBondContact O-OG1 3.28Å; E95-L173 HydrophobicContact CG-CD2 3.49Å; E95-L173 VanDerWaalsContact CG-CD2 3.49Å |
| 96 | A | 88.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 25% | 0.248 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I92 L93 T99 R100 | I92-A96 WeakPolarHBondContact O-CB 3.26Å; I92-A96 PolarHBondContact O-N 3.47Å; L93-A96 PolarHBondContact O-N 3.13Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-OG1 3.17Å; A96-R100 WeakPolarHBondContact O-CG 3.4Å; A96-R100 PolarHBondContact O-N 3.5Å |
| 97 | A | 87.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 78 Ų | 78 | 12% | 0.116 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.4 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L93 A94 E95 T99 R100 M101 V185 | L93-A97 WeakPolarHBondContact O-CB 2.96Å; L93-A97 PolarHBondContact O-N 3.49Å; A94-A97 PolarHBondContact O-N 2.96Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.17Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.32Å; A97-R100 PolarHBondContact O-N 3.39Å; A97-M101 HydrophobicContact CB-CE 4.11Å; A97-M101 WeakPolarHBondContact O-CG 3.12Å; A97-M101 PolarHBondContact O-N 3.04Å; A97-V185 HydrophobicContact CB-CG2 4.28Å |
| 98 | L | 88.1 | Confident | 86.6 | Confident | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.063 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 178.6 | -76.2 | 170.6 | 0 | 0 | 0 | 113 | A94 E95 R100 M101 R155 L172 L173 | A94-L98 WeakPolarHBondContact O-CB 3.41Å; A94-L98 VanDerWaalsContact O-CG 3.3Å; A94-L98 WeakPolarHBondContact O-CG 3.39Å; A94-L98 PolarHBondContact O-N 3.37Å; E95-L98 PolarHBondContact O-N 3.44Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.13Å; L98-M101 HydrophobicContact CD2-SD 4.18Å; L98-M101 PolarHBondContact O-N 3.27Å; L98-R155 PolarHBondContact O-NH1 2.89Å; L98-L172 HydrophobicContact CD1-CB 4.4Å; L98-L172 HydrophobicContact CD2-CB 4Å; L98-L172 HydrophobicContact CD2-CD1 3.51Å; L98-L172 HydrophobicContact CD2-CG 4.39Å; L98-L172 HydrophobicContact CG-CB 4.45Å; L98-L173 HydrophobicContact CD1-CD2 3.93Å; L98-L173 HydrophobicContact CD1-CG 3.91Å |
| 99 | T | 88.4 | Confident | 85.9 | Confident | 117 Ų | 117 | 77.4 Ų | 77.4 | 72% | 0.718 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -70.4 | -23.5 | 178.5 | 50 | 0 | 0 | 0 | 0 | 113.3 | E95 A96 A97 | E95-T99 WeakPolarHBondContact O-CG2 3.27Å; E95-T99 PolarHBondContact O-N 2.88Å; E95-T99 PolarHBondContact O-OG1 3.28Å; A96-T99 WeakPolarHBondContact CA-OG1 3.32Å; A96-T99 PolarHBondContact O-OG1 3.17Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.32Å |
| 100 | R | 86.3 | Confident | 84.6 | Confident | 210 Ų | 210 | 84.4 Ų | 84.4 | 79% | 0.792 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -85.5 | -20.7 | 177.1 | -67.4 | 173.6 | -172.6 | 155.1 | 2.8 | 113.8 | A96 A97 L98 | A96-R100 WeakPolarHBondContact O-CG 3.4Å; A96-R100 PolarHBondContact O-N 3.5Å; A97-R100 PolarHBondContact O-N 3.39Å; L98-R100 VanDerWaalsContact C-N 3.27Å; L98-R100 PolarHBondContact O-N 3.13Å |
| 101 | M | 86.4 | Confident | 83.4 | Confident | 25 Ų | 25 | 86.8 Ų | 86.8 | 12% | 0.123 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -71.1 | 145.1 | -175.9 | -72.8 | 172.5 | -161.2 | 0 | 0 | 112.6 | A97 L98 L103 R155 L172 V185 | A97-M101 HydrophobicContact CB-CE 4.11Å; A97-M101 WeakPolarHBondContact O-CG 3.12Å; A97-M101 PolarHBondContact O-N 3.04Å; L98-M101 HydrophobicContact CD2-SD 4.18Å; L98-M101 PolarHBondContact O-N 3.27Å; M101-L103 PolarHBondContact O-N 2.78Å; M101-R155 HydrophobicContact CB-CG 4.23Å; M101-R155 HydrophobicContact SD-CG 4.36Å; M101-L172 HydrophobicContact CE-CD1 4.45Å; M101-L172 HydrophobicContact SD-CD1 4.27Å; M101-V185 HydrophobicContact CE-CB 3.61Å; M101-V185 HydrophobicContact CE-CG1 3.68Å; M101-V185 HydrophobicContact CE-CG2 4.08Å |
| 102 | E | 88.8 | Confident | 81.9 | Confident | 131 Ų | 131 | 86.3 Ų | 86.3 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | trans | -67.1 | 131 | 179.4 | -168.8 | -177.2 | 149.2 | 0 | 0 | 111.3 | V156 | E102-V156 HydrophobicContact CB-CB 4.47Å; E102-V156 PolarHBondContact O-N 2.89Å | ||
| 103 | L | 90.2 | Very high | 79.9 | Confident | 85 Ų | 85 | 92 Ų | 92 | 45% | 0.445 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.9 | 170.4 | -75.4 | 162.3 | 0 | 0 | 0 | 108.9 | M101 L154 R155 R165 | M101-L103 PolarHBondContact O-N 2.78Å; L103-L154 CarbonylContact C-O 3.57Å; L103-L154 WeakPolarHBondContact CA-O 3.09Å; L103-R155 HydrophobicContact CD2-CB 4.21Å; L103-R165 HydrophobicContact CD2-CB 4.13Å; L103-R165 HydrophobicContact CD2-CG 4Å |
| 104 | K | 87.8 | Confident | 77.9 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.6 | 179.9 | -177 | 172.4 | 168.4 | -173.1 | 0 | 109.5 | L154 V156 E162 | K104-L154 PolarHBondContact N-O 2.93Å; K104-L154 PolarHBondContact O-N 3.39Å; K104-V156 HydrophobicContact CB-CG2 4.34Å; K104-E162 IonicContact NZ-OE1 3.11Å; K104-E162 PolarHBondContact NZ-OE1 3.28Å; K104-E162 IonicContact NZ-OE2 3.01Å |
| 105 | K | 89.3 | Confident | 76.1 | Confident | 157 Ų | 157 | 102.8 Ų | 102.8 | 68% | 0.683 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.3 | 166.7 | -71.6 | -176 | 178.1 | 180 | 0 | 108.1 | S107 | K105-S107 PolarHBondContact O-N 3.47Å |
| 106 | F | 86.1 | Confident | 74.3 | Confident | 10 Ų | 10 | 104.5 Ų | 104.5 | 4% | 0.044 | 50% | 0.504 | C | S | . | . | trans | -67.3 | 133.6 | 174.4 | -170.9 | -101.5 | 0 | 0 | 0 | 109.6 | H108 D139 Y148 G151 Q152 L154 | F106-H108 HydrophobicContact CE1-CB 4.37Å; F106-D139 HydrophobicContact CZ-CB 4.47Å; F106-D139 WeakPolarHBondContact CZ-OD1 3.47Å; F106-Y148 VanDerWaalsContact CD1-CB 3.48Å; F106-Y148 AromaticContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CG 4.14Å; F106-Y148 VanDerWaalsContact CE1-O 3.3Å; F106-Y148 WeakPolarHBondContact CE1-O 3.03Å; F106-Y148 AromaticContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CG 4.25Å; F106-Y148 HydrophobicContact CG-CG 4.33Å; F106-Y148 HydrophobicContact CZ-CD2 4.38Å; F106-G151 PolarHBondContact O-N 2.98Å; F106-Q152 PolarHBondContact N-O 3.38Å; F106-L154 HydrophobicContact CB-CD1 3.82Å; F106-L154 HydrophobicContact CB-CG 4.01Å; F106-L154 HydrophobicContact CD2-CD1 3.65Å; F106-L154 HydrophobicContact CG-CD1 4.1Å | ||
| 107 | S | 83.4 | Confident | 72.5 | Confident | 38 Ų | 38 | 111 Ų | 111 | 27% | 0.266 | 53% | 0.534 | S | S | . | . | trans | -145.3 | 116.9 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | K105 T109 R110 D150 | K105-S107 PolarHBondContact O-N 3.47Å; S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 2.89Å; S107-R110 PolarHBondContact O-N 3.39Å; S107-D150 WeakPolarHBondContact CA-OD1 3.3Å; S107-D150 PolarHBondContact OG-OD1 2.86Å | ||
| 108 | H | 78.2 | Confident | 70.6 | Confident | 84 Ų | 84 | 113.3 Ų | 113.3 | 39% | 0.389 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -59.2 | -33.6 | -178.7 | -173.6 | -101.2 | 0 | 0 | 0 | 111.6 | F106 R110 K111 D150 | F106-H108 HydrophobicContact CE1-CB 4.37Å; H108-R110 PolarHBondContact O-N 3.15Å; H108-R110 VanDerWaalsContact O-N 3.16Å; H108-K111 PolarHBondContact O-N 2.88Å; H108-D150 PolarHBondContact N-OD1 2.74Å |
| 109 | T | 67.3 | Low | 68.7 | Low | 104 Ų | 104 | 121.6 Ų | 121.6 | 64% | 0.638 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -63.9 | -21.6 | -178.1 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | S107 | S107-T109 PolarHBondContact O-N 2.95Å; S107-T109 PolarHBondContact OG-OG1 2.89Å |
| 110 | R | 57.2 | Low | 66.8 | Low | 208 Ų | 208 | 120.9 Ų | 120.9 | 79% | 0.785 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -76.5 | -30.7 | 178.4 | -65.6 | -168.5 | -170.2 | -163.3 | 3.7 | 113.5 | S107 H108 | S107-R110 PolarHBondContact O-N 3.39Å; H108-R110 PolarHBondContact O-N 3.15Å; H108-R110 VanDerWaalsContact O-N 3.16Å |
| 111 | K | 58.1 | Low | 65.1 | Low | 103 Ų | 103 | 117.4 Ų | 117.4 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.1 | -18.8 | -178.3 | -90 | -177.8 | -179.7 | 177.3 | 0 | 113.2 | H108 K113 S138 D139 | H108-K111 PolarHBondContact O-N 2.88Å; K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.45Å; K111-S138 PolarHBondContact NZ-O 3.27Å; K111-S138 PolarHBondContact NZ-OG 2.9Å; K111-D139 IonicContact NZ-OD1 3.44Å; K111-D139 PolarHBondContact NZ-OD1 2.86Å |
| 112 | M | 55.4 | Low | 63.4 | Low | 134 Ų | 134 | 122.8 Ų | 122.8 | 66% | 0.66 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | 0.4 | -179.2 | -75.5 | -80.5 | -176.8 | 0 | 0 | 114.6 | R114 | M112-R114 PolarHBondContact O-N 3Š|
| 113 | K | 46 | Very low | 61.7 | Low | 196 Ų | 196 | 120.5 Ų | 120.5 | 85% | 0.852 | 63% | 0.631 | S | S | * | * | trans | -79.2 | 56.6 | 172.8 | -145.4 | -176.3 | -166.8 | -159 | 0 | 111.2 | K111 | K111-K113 VanDerWaalsContact C-N 3.31Å; K111-K113 PolarHBondContact O-N 3.45Å | ||
| 114 | R | 46.6 | Very low | 60 | Low | 220 Ų | 220 | 122.8 Ų | 122.8 | 83% | 0.83 | 65% | 0.648 | S | S | * | * | trans | -66.8 | 131.9 | 162 | -162 | 177.7 | -86.5 | 173.6 | -5.9 | 106.4 | M112 | M112-R114 PolarHBondContact O-N 3Š| ||
| 115 | P | 49.1 | Very low | 58.4 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | trans | -54.2 | 146.5 | 177.4 | -20.3 | 30.3 | 0 | 0 | 0 | 109.8 | L117 | P115-L117 PolarHBondContact O-N 3.42Š| ||
| 116 | P | 51.1 | Low | 56.2 | Low | 135 Ų | 135 | 121.4 Ų | 121.4 | 88% | 0.877 | 67% | 0.672 | S | S | * | * | trans | -59.4 | 103.4 | 174.2 | 23.9 | -30.1 | 0 | 0 | 0 | 108.1 | G118 | P116-G118 PolarHBondContact O-N 3.06Š| ||
| 117 | L | 50.7 | Low | 54.6 | Low | 166 Ų | 166 | 128.6 Ų | 128.6 | 87% | 0.869 | 71% | 0.71 | S | S | * | * | trans | -72.6 | 110.4 | 171.1 | -164.4 | 73.2 | 0 | 0 | 0 | 105 | P115 E119 | P115-L117 PolarHBondContact O-N 3.42Å; L117-E119 PolarHBondContact O-N 2.93Å | ||
| 118 | G | 48.4 | Very low | 52.8 | Low | 64 Ų | 64 | 135.3 Ų | 135.3 | 66% | 0.66 | 74% | 0.742 | S | S | * | * | trans | -50.2 | 129.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | P116 | P116-G118 PolarHBondContact O-N 3.06Š| ||
| 119 | E | 48.2 | Very low | 51.3 | Low | 185 Ų | 185 | 135.7 Ų | 135.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -51.7 | 140.1 | 162 | -66.5 | 167.7 | 95.3 | 0 | 0 | 108.5 | L117 | L117-E119 PolarHBondContact O-N 2.93Š| ||
| 120 | P | 48.1 | Very low | 50 | Low | 102 Ų | 102 | 138.3 Ų | 138.3 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | -144.3 | 137.4 | 92 | 21 | 2 | 0 | 0 | 0 | 115.5 | |||||
| 121 | N | 50.5 | Low | 49.7 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 54.9 | 109 | 131.5 | -24.5 | -20.9 | 0 | 0 | 0 | 117.7 | ||||
| 122 | T | 50.7 | Low | 49.2 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | 160 | 122.5 | 109.8 | 37.6 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 123 | A | 52.6 | Low | 48.9 | Very low | 83 Ų | 83 | 134.2 Ų | 134.2 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | trans | 27.7 | 136 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 124 | T | 54.2 | Low | 48.8 | Very low | 133 Ų | 133 | 129 Ų | 129 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | 74.3 | 105 | 144.1 | 44.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 125 | V | 55.7 | Low | 49 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | 171 | 136.2 | 95.3 | 168.1 | 0 | 0 | 0 | 0 | 107 | |||||
| 126 | G | 42.7 | Very low | 48.9 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | trans | -70.7 | 165 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 127 | L | 51.4 | Low | 49.3 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | trans | -164.6 | 100.7 | 140.1 | -108.2 | 159.1 | 0 | 0 | 0 | 108.1 | S129 | L127-S129 PolarHBondContact O-N 3.35Š| ||
| 128 | L | 47.2 | Very low | 50.4 | Low | 179 Ų | 179 | 114.5 Ų | 114.5 | 94% | 0.937 | 72% | 0.721 | S | S | * | * | trans | -74.7 | 107.5 | 163.8 | -67.3 | 167.6 | 0 | 0 | 0 | 107.3 | ||||
| 129 | S | 45.1 | Very low | 52.2 | Low | 91 Ų | 91 | 112.6 Ų | 112.6 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | -159.1 | 105.8 | 153.3 | 27.4 | 0 | 0 | 0 | 0 | 107.8 | L127 | L127-S129 PolarHBondContact O-N 3.35Š| ||
| 130 | D | 40.8 | Very low | 54.3 | Low | 160 Ų | 160 | 105.8 Ų | 105.8 | 86% | 0.856 | 67% | 0.665 | S | S | * | * | trans | -34.4 | 147.1 | 160.1 | -87.5 | -51 | 0 | 0 | 0 | 112.4 | ||||
| 131 | S | 50.1 | Low | 56.4 | Low | 110 Ų | 110 | 101 Ų | 101 | 77% | 0.769 | 63% | 0.634 | S | S | * | * | trans | 97.1 | 22.9 | 167.2 | -38.5 | 0 | 0 | 0 | 0 | 118.2 | L133 | S131-L133 PolarHBondContact O-N 3.27Š| ||
| 132 | S | 49.3 | Very low | 58.4 | Low | 113 Ų | 113 | 96.2 Ų | 96.2 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | trans | -72.6 | 65.9 | 154.7 | 68 | 0 | 0 | 0 | 0 | 110 | S134 | S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 2.9Å | ||
| 133 | L | 47.8 | Very low | 60.4 | Low | 135 Ų | 135 | 92.3 Ų | 92.3 | 71% | 0.707 | 59% | 0.587 | S | S | * | * | trans | -58 | 107.2 | 150.6 | -68.9 | -177.7 | 0 | 0 | 0 | 104 | S131 L135 | S131-L133 PolarHBondContact O-N 3.27Å; L133-L135 PolarHBondContact O-N 3.37Å | ||
| 134 | S | 45.3 | Very low | 62.4 | Low | 86 Ų | 86 | 90.6 Ų | 90.6 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | trans | -61.2 | 80.8 | 170.7 | 50.1 | 0 | 0 | 0 | 0 | 107.4 | S132 C136 | S132-S134 VanDerWaalsContact C-N 3.26Å; S132-S134 PolarHBondContact O-N 2.9Å; S134-C136 PolarHBondContact O-N 3.38Å | ||
| 135 | L | 49.7 | Very low | 64.1 | Low | 112 Ų | 112 | 90.9 Ų | 90.9 | 59% | 0.586 | 57% | 0.565 | S | S | * | * | trans | -75.1 | 39.9 | 176 | -152.7 | 76.1 | 0 | 0 | 0 | 109.1 | L133 G137 L140 V147 | L133-L135 PolarHBondContact O-N 3.37Å; L135-G137 PolarHBondContact O-N 2.86Å; L135-L140 HydrophobicContact CD1-CD2 3.68Å; L135-L140 HydrophobicContact CD2-CD2 4.25Å; L135-L140 HydrophobicContact CG-CD2 3.47Å; L135-L140 VanDerWaalsContact CG-CD2 3.47Å; L135-V147 HydrophobicContact CD1-CG2 3.96Å | ||
| 136 | C | 47.4 | Very low | 65.9 | Low | 94 Ų | 94 | 88.8 Ų | 88.8 | 64% | 0.635 | 55% | 0.546 | S | S | * | . | trans | -65.5 | 119.6 | 165.2 | -175.8 | 0 | 0 | 0 | 0 | 104.7 | S134 S138 D139 | S134-C136 PolarHBondContact O-N 3.38Å; C136-S138 PolarHBondContact O-N 2.86Å; C136-D139 PolarHBondContact O-N 3.38Å | ||
| 137 | G | 59.9 | Low | 68.1 | Low | 58 Ų | 58 | 88.9 Ų | 88.9 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 10 | -163.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | L135 | L135-G137 PolarHBondContact O-N 2.86Š|
| 138 | S | 74.1 | Confident | 70.1 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 39% | 0.392 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.4 | 174.5 | 76.3 | 0 | 0 | 0 | 0 | 115.3 | K111 C136 | K111-S138 PolarHBondContact NZ-O 3.27Å; K111-S138 PolarHBondContact NZ-OG 2.9Å; C136-S138 PolarHBondContact O-N 2.86Å |
| 139 | D | 86 | Confident | 72.1 | Confident | 24 Ų | 24 | 79.6 Ų | 79.6 | 13% | 0.128 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -112.7 | 15.4 | -174.7 | -67.1 | -35.9 | 0 | 0 | 0 | 114 | F106 K111 C136 V147 Y148 | F106-D139 HydrophobicContact CZ-CB 4.47Å; F106-D139 WeakPolarHBondContact CZ-OD1 3.47Å; K111-D139 IonicContact NZ-OD1 3.44Å; K111-D139 PolarHBondContact NZ-OD1 2.86Å; C136-D139 PolarHBondContact O-N 3.38Å; D139-V147 CarbonylContact O-C 3.5Å; D139-V147 WeakPolarHBondContact O-CA 3.19Å; D139-V147 WeakPolarHBondContact O-CG1 3.46Å; D139-Y148 WeakPolarHBondContact O-CD2 3.46Å; D139-Y148 PolarHBondContact O-N 2.81Å |
| 140 | L | 91.1 | Very high | 74.2 | Confident | 42 Ų | 42 | 80 Ų | 80 | 22% | 0.22 | 47% | 0.474 | C | S | . | . | B | Isolated β-bridge | trans | -133.6 | 143.1 | -174.9 | 52.7 | 99.1 | 0 | 0 | 0 | 112.1 | L135 E146 Y148 | L135-L140 HydrophobicContact CD1-CD2 3.68Å; L135-L140 HydrophobicContact CD2-CD2 4.25Å; L135-L140 HydrophobicContact CG-CD2 3.47Å; L135-L140 VanDerWaalsContact CG-CD2 3.47Å; L140-E146 WeakPolarHBondContact CA-O 3.38Å; L140-Y148 VanDerWaalsContact C-CZ 3.46Å; L140-Y148 PolarHBondContact O-OH 2.81Å |
| 141 | C | 93.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 46% | 0.458 | C | S | . | . | trans | -83.8 | 119.5 | 175.2 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | I143 C144 L145 E146 Y148 H164 | C141-I143 PolarHBondContact O-N 3.45Å; C141-I143 VanDerWaalsContact O-N 3.12Å; C141-C144 VanDerWaalsContact CB-SG 3.52Å; C141-L145 WeakPolarHBondContact O-CA 3.44Å; C141-L145 PolarHBondContact O-N 3.23Å; C141-E146 PolarHBondContact N-O 3.21Å; C141-Y148 WeakPolarHBondContact CA-OH 3.22Å; C141-Y148 HydrophobicContact CB-CD1 4.44Å; C141-Y148 HydrophobicContact CB-CE1 3.58Å; C141-H164 VanDerWaalsContact CB-ND1 3.27Å; C141-H164 WeakPolarHBondContact CB-ND1 3.1Å | ||
| 142 | A | 92.1 | Very high | 78.5 | Confident | 38 Ų | 38 | 71.9 Ų | 71.9 | 31% | 0.314 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -7.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | F163 L180 | A142-F163 HydrophobicContact CB-CE1 4.02Å; A142-L180 HydrophobicContact CB-CD1 4.4Å; A142-L180 HydrophobicContact CB-CD2 3.84Å; A142-L180 HydrophobicContact CB-CG 4.33Å |
| 143 | I | 91.8 | Very high | 80.5 | Confident | 56 Ų | 56 | 69.1 Ų | 69.1 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -49.9 | 178.9 | -59.1 | 171.2 | 0 | 0 | 0 | 111.3 | C141 F163 C167 V168 P179 | C141-I143 PolarHBondContact O-N 3.45Å; C141-I143 VanDerWaalsContact O-N 3.12Å; I143-F163 HydrophobicContact CD1-CB 4.31Å; I143-F163 HydrophobicContact CD1-CD1 3.79Å; I143-F163 HydrophobicContact CD1-CE1 4.38Å; I143-F163 HydrophobicContact CD1-CG 4.17Å; I143-F163 HydrophobicContact CG1-CD1 3.81Å; I143-F163 HydrophobicContact CG1-CE1 4.16Å; I143-C167 HydrophobicContact CB-CB 3.87Å; I143-C167 HydrophobicContact CD1-CB 3.95Å; I143-C167 HydrophobicContact CG2-CB 3.79Å; I143-V168 HydrophobicContact CD1-CB 3.84Å; I143-V168 HydrophobicContact CD1-CG2 4.15Å; I143-P179 HydrophobicContact CD1-CG 4.17Å; I143-P179 HydrophobicContact CG1-CG 4.14Å |
| 144 | C | 94.2 | Very high | 82.7 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 31% | 0.311 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -5.5 | 177.8 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | C141 E146 H164 | C141-C144 VanDerWaalsContact CB-SG 3.52Å; C144-E146 HydrophobicContact CB-CG 4.34Å; C144-E146 PolarHBondContact O-N 3.01Å; C144-H164 PolarHBondContact SG-ND1 3.13Å |
| 145 | L | 91.8 | Very high | 85 | Confident | 139 Ų | 139 | 59.1 Ų | 59.1 | 73% | 0.728 | 35% | 0.351 | S | S | * | . | trans | 59.3 | 20.7 | -176.9 | -50.9 | 178 | 0 | 0 | 0 | 114 | C141 | C141-L145 WeakPolarHBondContact O-CA 3.44Å; C141-L145 PolarHBondContact O-N 3.23Å | ||
| 146 | E | 91.9 | Very high | 87.1 | Confident | 101 Ų | 101 | 55 Ų | 55 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 146.4 | 177.7 | -63.1 | -175 | 179.4 | 0 | 0 | 112.3 | L140 C141 C144 | L140-E146 WeakPolarHBondContact CA-O 3.38Å; C141-E146 PolarHBondContact N-O 3.21Å; C144-E146 HydrophobicContact CB-CG 4.34Å; C144-E146 PolarHBondContact O-N 3.01Å |
| 147 | V | 90.5 | Very high | 89.1 | Confident | 66 Ų | 66 | 50.7 Ų | 50.7 | 40% | 0.4 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -68.1 | 138 | 171.3 | -179 | 0 | 0 | 0 | 0 | 110 | L135 D139 K149 | L135-V147 HydrophobicContact CD1-CG2 3.96Å; D139-V147 CarbonylContact O-C 3.5Å; D139-V147 WeakPolarHBondContact O-CA 3.19Å; D139-V147 WeakPolarHBondContact O-CG1 3.46Å; V147-K149 PolarHBondContact O-N 3.2Å |
| 148 | Y | 93 | Very high | 90.5 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 131.7 | 176.1 | -60.3 | -48.1 | 0 | 0 | 0 | 111.4 | F106 D139 L140 C141 L154 E162 F163 H164 | F106-Y148 VanDerWaalsContact CD1-CB 3.48Å; F106-Y148 AromaticContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CD2 3.99Å; F106-Y148 HydrophobicContact CD2-CG 4.14Å; F106-Y148 VanDerWaalsContact CE1-O 3.3Å; F106-Y148 WeakPolarHBondContact CE1-O 3.03Å; F106-Y148 AromaticContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CD2 3.85Å; F106-Y148 HydrophobicContact CE2-CG 4.25Å; F106-Y148 HydrophobicContact CG-CG 4.33Å; F106-Y148 HydrophobicContact CZ-CD2 4.38Å; D139-Y148 WeakPolarHBondContact O-CD2 3.46Å; D139-Y148 PolarHBondContact O-N 2.81Å; L140-Y148 VanDerWaalsContact C-CZ 3.46Å; L140-Y148 PolarHBondContact O-OH 2.81Å; C141-Y148 WeakPolarHBondContact CA-OH 3.22Å; C141-Y148 HydrophobicContact CB-CD1 4.44Å; C141-Y148 HydrophobicContact CB-CE1 3.58Å; Y148-L154 HydrophobicContact CD1-CD1 4.02Å; Y148-L154 HydrophobicContact CD1-CD2 3.35Å; Y148-L154 HydrophobicContact CD1-CG 4.33Å; Y148-L154 HydrophobicContact CD2-CD1 3.81Å; Y148-L154 HydrophobicContact CE1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD2 3.37Å; Y148-L154 HydrophobicContact CE1-CG 4.37Å; Y148-L154 HydrophobicContact CE2-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD2 4.04Å; Y148-E162 PolarHBondContact OH-O 2.73Å; Y148-F163 WeakPolarHBondContact OH-CA 3.26Å; Y148-H164 AromaticContact CD1-CD2 3.99Å; Y148-H164 AromaticContact CD1-CE1 3.77Å; Y148-H164 AromaticContact CD1-NE2 3.5Å; Y148-H164 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H164 AromaticContact CE1-CE1 3.94Å; Y148-H164 AromaticContact CE1-NE2 3.98Å |
| 149 | K | 88.7 | Confident | 91.3 | Very high | 134 Ų | 134 | 50.3 Ų | 50.3 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -100.7 | 148.5 | 175.7 | -56 | 179 | -178.8 | 173.6 | 0 | 110.2 | V147 G151 Q152 | V147-K149 PolarHBondContact O-N 3.2Å; K149-G151 PolarHBondContact O-N 3.45Å; K149-Q152 HydrophobicContact CB-CG 4.02Å; K149-Q152 VanDerWaalsContact O-CB 3.3Å; K149-Q152 WeakPolarHBondContact O-CB 3.1Å; K149-Q152 WeakPolarHBondContact O-CG 3.23Å; K149-Q152 PolarHBondContact O-N 3.39Å; K149-Q152 VanDerWaalsContact O-N 3.12Å |
| 150 | D | 89.2 | Confident | 91.5 | Very high | 98 Ų | 98 | 51.4 Ų | 51.4 | 52% | 0.524 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.6 | 175.4 | -72.6 | -65.2 | 0 | 0 | 0 | 111.7 | S107 H108 Q152 | S107-D150 WeakPolarHBondContact CA-OD1 3.3Å; S107-D150 PolarHBondContact OG-OD1 2.86Å; H108-D150 PolarHBondContact N-OD1 2.74Å; D150-Q152 VanDerWaalsContact C-N 3.27Å; D150-Q152 PolarHBondContact O-N 3.33Å |
| 151 | G | 88.3 | Confident | 91.6 | Very high | 52 Ų | 52 | 52.5 Ų | 52.5 | 54% | 0.536 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -7.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F106 K149 | F106-G151 PolarHBondContact O-N 2.98Å; K149-G151 PolarHBondContact O-N 3.45Å |
| 152 | Q | 92.2 | Very high | 91.5 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 32% | 0.32 | C | S | . | . | trans | -66.9 | 140.9 | 173 | -69.9 | -179.2 | -22.1 | 0 | 0 | 111.2 | F106 K149 D150 H164 | F106-Q152 PolarHBondContact N-O 3.38Å; K149-Q152 HydrophobicContact CB-CG 4.02Å; K149-Q152 VanDerWaalsContact O-CB 3.3Å; K149-Q152 WeakPolarHBondContact O-CB 3.1Å; K149-Q152 WeakPolarHBondContact O-CG 3.23Å; K149-Q152 PolarHBondContact O-N 3.39Å; K149-Q152 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact C-N 3.27Å; D150-Q152 PolarHBondContact O-N 3.33Å; Q152-H164 PolarHBondContact OE1-CD2 3.26Å; Q152-H164 PolarHBondContact OE1-NE2 3.49Å | ||
| 153 | T | 93 | Very high | 91.6 | Very high | 55 Ų | 55 | 53 Ų | 53 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 115.5 | 176.5 | 55.6 | 0 | 0 | 0 | 0 | 110.2 | R165 | T153-R165 PolarHBondContact O-N 3.4Å |
| 154 | L | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 144.4 | 172.6 | -52.1 | -173.1 | 0 | 0 | 0 | 109.7 | L103 K104 F106 Y148 E162 F163 | L103-L154 CarbonylContact C-O 3.57Å; L103-L154 WeakPolarHBondContact CA-O 3.09Å; K104-L154 PolarHBondContact N-O 2.93Å; K104-L154 PolarHBondContact O-N 3.39Å; F106-L154 HydrophobicContact CB-CD1 3.82Å; F106-L154 HydrophobicContact CB-CG 4.01Å; F106-L154 HydrophobicContact CD2-CD1 3.65Å; F106-L154 HydrophobicContact CG-CD1 4.1Å; Y148-L154 HydrophobicContact CD1-CD1 4.02Å; Y148-L154 HydrophobicContact CD1-CD2 3.35Å; Y148-L154 HydrophobicContact CD1-CG 4.33Å; Y148-L154 HydrophobicContact CD2-CD1 3.81Å; Y148-L154 HydrophobicContact CE1-CD1 4.07Å; Y148-L154 HydrophobicContact CE1-CD2 3.37Å; Y148-L154 HydrophobicContact CE1-CG 4.37Å; Y148-L154 HydrophobicContact CE2-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD1 3.9Å; Y148-L154 HydrophobicContact CG-CD2 4.04Å; L154-E162 HydrophobicContact CD1-CB 4.49Å; L154-F163 CarbonylContact C-O 3.58Å; L154-F163 WeakPolarHBondContact CA-O 3.2Å |
| 155 | R | 93.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 54.2 Ų | 54.2 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130.8 | 167.9 | 177.1 | 177.4 | -53.9 | -81.2 | 11.2 | 108.4 | L98 M101 L103 E162 F163 V168 D169 | L98-R155 PolarHBondContact O-NH1 2.89Å; M101-R155 HydrophobicContact CB-CG 4.23Å; M101-R155 HydrophobicContact SD-CG 4.36Å; L103-R155 HydrophobicContact CD2-CB 4.21Å; R155-E162 WeakPolarHBondContact O-CA 3.42Å; R155-F163 PolarHBondContact N-O 3.48Å; R155-F163 PolarHBondContact O-N 3.47Å; R155-V168 HydrophobicContact CB-CG1 3.72Å; R155-V168 HydrophobicContact CG-CG1 4.16Å; R155-D169 IonicContact CZ-OD1 2.63Å; R155-D169 IonicContact NE-OD1 3.12Å; R155-D169 PolarHBondContact NE-OD1 3.49Å; R155-D169 VanDerWaalsContact NH2-CG 3.28Å; R155-D169 IonicContact NH2-OD1 3Å; R155-D169 PolarHBondContact NH2-OD1 3.49Å; R155-D169 IonicContact NH2-OD2 2.81Å; R155-D169 PolarHBondContact NH2-OD2 2.92Å |
| 156 | V | 92.3 | Very high | 91.8 | Very high | 26 Ų | 26 | 56.3 Ų | 56.3 | 16% | 0.158 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 117 | 171.4 | -169.3 | 0 | 0 | 0 | 0 | 107.3 | E102 K104 E162 | E102-V156 HydrophobicContact CB-CB 4.47Å; E102-V156 PolarHBondContact O-N 2.89Å; K104-V156 HydrophobicContact CB-CG2 4.34Å; V156-E162 HydrophobicContact CG2-CG 4.2Å |
| 157 | I | 91.4 | Very high | 92 | Very high | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.015 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -72.2 | 155.7 | 173.5 | -54.2 | -177 | 0 | 0 | 0 | 108.3 | C159 G160 H161 F163 V168 L172 C178 V185 | I157-C159 PolarHBondContact O-N 2.84Å; I157-G160 WeakPolarHBondContact O-CA 3.22Å; I157-G160 PolarHBondContact O-N 3.28Å; I157-H161 PolarHBondContact N-O 2.82Å; I157-F163 HydrophobicContact CD1-CD2 3.76Å; I157-F163 HydrophobicContact CD1-CE2 3.48Å; I157-F163 VanDerWaalsContact CD1-CE2 3.48Å; I157-F163 HydrophobicContact CG1-CD2 4.12Å; I157-F163 HydrophobicContact CG1-CE2 4.16Å; I157-V168 HydrophobicContact CD1-CG2 3.9Å; I157-V168 HydrophobicContact CG1-CG2 4.4Å; I157-L172 HydrophobicContact CD1-CD1 4.23Å; I157-L172 HydrophobicContact CD1-CD2 4.5Å; I157-L172 HydrophobicContact CG1-CD1 4.36Å; I157-C178 HydrophobicContact CD1-CB 4.03Å; I157-V185 HydrophobicContact CG2-CG1 3.68Å |
| 158 | S | 89.1 | Confident | 92.1 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 49% | 0.49 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.6 | 175.9 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | G160 F183 | S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 3.26Å; S158-F183 WeakPolarHBondContact OG-CE1 3.44Å |
| 159 | C | 91.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 24% | 0.243 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.1 | 172.3 | 64.4 | 0 | 0 | 0 | 0 | 114.6 | I157 H161 C178 C181 F183 | I157-C159 PolarHBondContact O-N 2.84Å; C159-H161 PolarHBondContact SG-ND1 2.99Å; C159-C178 VanDerWaalsContact SG-SG 3.63Å; C159-C181 PolarHBondContact SG-SG 2.86Å; C159-F183 HydrophobicContact CB-CB 3.78Å; C159-F183 HydrophobicContact CB-CD1 4.22Å; C159-F183 HydrophobicContact CB-CD2 4.28Å; C159-F183 HydrophobicContact CB-CG 3.82Å |
| 160 | G | 89.8 | Confident | 92.3 | Very high | 48 Ų | 48 | 47.9 Ų | 47.9 | 50% | 0.495 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 91.3 | -6.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | I157 S158 | I157-G160 WeakPolarHBondContact O-CA 3.22Å; I157-G160 PolarHBondContact O-N 3.28Å; S158-G160 VanDerWaalsContact C-N 3.26Å; S158-G160 PolarHBondContact O-N 3.26Å |
| 161 | H | 92 | Very high | 92.5 | Very high | 64 Ų | 64 | 47.9 Ų | 47.9 | 30% | 0.296 | 27% | 0.266 | S | S | . | . | trans | -76.2 | 135.3 | 178 | -67.3 | 103.5 | 0 | 0 | 0 | 112 | I157 C159 F163 L180 | I157-H161 PolarHBondContact N-O 2.82Å; C159-H161 PolarHBondContact SG-ND1 2.99Å; H161-F163 HydrophobicContact CB-CD2 4.45Å; H161-F163 HydrophobicContact CB-CE2 3.55Å; H161-F163 HydrophobicContact CB-CZ 4.02Å; H161-L180 HydrophobicContact CB-CD1 4.09Å; H161-L180 WeakPolarHBondContact CD2-CD1 3.24Å | ||
| 162 | E | 92.4 | Very high | 92.7 | Very high | 48 Ų | 48 | 45.4 Ų | 45.4 | 22% | 0.224 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 137.9 | -179.3 | -51.3 | -170.9 | 158.4 | 0 | 0 | 110.7 | K104 Y148 L154 R155 V156 | K104-E162 IonicContact NZ-OE1 3.11Å; K104-E162 PolarHBondContact NZ-OE1 3.28Å; K104-E162 IonicContact NZ-OE2 3.01Å; Y148-E162 PolarHBondContact OH-O 2.73Å; L154-E162 HydrophobicContact CD1-CB 4.49Å; R155-E162 WeakPolarHBondContact O-CA 3.42Å; V156-E162 HydrophobicContact CG2-CG 4.2Å |
| 163 | F | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 162.1 | 175.7 | -57.8 | -89.2 | 0 | 0 | 0 | 111.1 | A142 I143 Y148 L154 R155 I157 H161 R165 V168 P179 L180 | A142-F163 HydrophobicContact CB-CE1 4.02Å; I143-F163 HydrophobicContact CD1-CB 4.31Å; I143-F163 HydrophobicContact CD1-CD1 3.79Å; I143-F163 HydrophobicContact CD1-CE1 4.38Å; I143-F163 HydrophobicContact CD1-CG 4.17Å; I143-F163 HydrophobicContact CG1-CD1 3.81Å; I143-F163 HydrophobicContact CG1-CE1 4.16Å; Y148-F163 WeakPolarHBondContact OH-CA 3.26Å; L154-F163 CarbonylContact C-O 3.58Å; L154-F163 WeakPolarHBondContact CA-O 3.2Å; R155-F163 PolarHBondContact N-O 3.48Å; R155-F163 PolarHBondContact O-N 3.47Å; I157-F163 HydrophobicContact CD1-CD2 3.76Å; I157-F163 HydrophobicContact CD1-CE2 3.48Å; I157-F163 VanDerWaalsContact CD1-CE2 3.48Å; I157-F163 HydrophobicContact CG1-CD2 4.12Å; I157-F163 HydrophobicContact CG1-CE2 4.16Å; H161-F163 HydrophobicContact CB-CD2 4.45Å; H161-F163 HydrophobicContact CB-CE2 3.55Å; H161-F163 HydrophobicContact CB-CZ 4.02Å; F163-R165 PolarHBondContact O-N 3.4Å; F163-V168 HydrophobicContact CB-CB 3.7Å; F163-V168 HydrophobicContact CB-CG1 4.05Å; F163-V168 HydrophobicContact CB-CG2 4.13Å; F163-V168 HydrophobicContact CD2-CB 4.45Å; F163-V168 HydrophobicContact CD2-CG2 3.94Å; F163-V168 HydrophobicContact CG-CB 4.22Å; F163-V168 HydrophobicContact CG-CG2 4.14Å; F163-P179 HydrophobicContact CE1-CB 4.39Å; F163-P179 HydrophobicContact CE1-CG 4.13Å; F163-P179 HydrophobicContact CZ-CB 4.37Å; F163-P179 HydrophobicContact CZ-CG 4.07Å; F163-L180 HydrophobicContact CE1-CD1 3.93Å; F163-L180 HydrophobicContact CE1-CG 4.14Å; F163-L180 HydrophobicContact CE2-CD1 4.49Å; F163-L180 HydrophobicContact CZ-CB 4.48Å; F163-L180 HydrophobicContact CZ-CD1 3.55Å; F163-L180 HydrophobicContact CZ-CG 3.76Å |
| 164 | H | 95.1 | Very high | 92.2 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 7% | 0.069 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 132.7 | 167.6 | -67 | 115.3 | 0 | 0 | 0 | 110.7 | C141 C144 Y148 Q152 K166 C167 V168 | C141-H164 VanDerWaalsContact CB-ND1 3.27Å; C141-H164 WeakPolarHBondContact CB-ND1 3.1Å; C144-H164 PolarHBondContact SG-ND1 3.13Å; Y148-H164 AromaticContact CD1-CD2 3.99Å; Y148-H164 AromaticContact CD1-CE1 3.77Å; Y148-H164 AromaticContact CD1-NE2 3.5Å; Y148-H164 WeakPolarHBondContact CD1-NE2 3.4Å; Y148-H164 AromaticContact CE1-CE1 3.94Å; Y148-H164 AromaticContact CE1-NE2 3.98Å; Q152-H164 PolarHBondContact OE1-CD2 3.26Å; Q152-H164 PolarHBondContact OE1-NE2 3.49Å; H164-K166 PolarHBondContact O-N 3.13Å; H164-C167 HydrophobicContact CB-CB 4.01Å; H164-C167 PolarHBondContact O-N 3.47Å; H164-V168 WeakPolarHBondContact O-CG1 3.39Å; H164-V168 PolarHBondContact O-N 3.46Å |
| 165 | R | 93.6 | Very high | 92 | Very high | 113 Ų | 113 | 49.4 Ų | 49.4 | 43% | 0.426 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -49.1 | -46.4 | 174.3 | -180 | -174.7 | 167.8 | -173.8 | -3 | 111.9 | L103 T153 F163 C167 D169 | L103-R165 HydrophobicContact CD2-CB 4.13Å; L103-R165 HydrophobicContact CD2-CG 4Å; T153-R165 PolarHBondContact O-N 3.4Å; F163-R165 PolarHBondContact O-N 3.4Å; R165-C167 PolarHBondContact O-N 3.1Å; R165-D169 VanDerWaalsContact CG-OD2 3.26Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 IonicContact NE-OD2 2.66Å; R165-D169 PolarHBondContact NE-OD2 3.5Å; R165-D169 VanDerWaalsContact O-CB 3.26Å; R165-D169 WeakPolarHBondContact O-CB 3.34Å; R165-D169 PolarHBondContact O-N 3.21Å; R165-D169 VanDerWaalsContact O-OD1 3.06Å |
| 166 | K | 94 | Very high | 91.8 | Very high | 184 Ų | 184 | 50.7 Ų | 50.7 | 80% | 0.8 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.4 | -26.4 | -179 | -64.9 | -174.6 | 179.6 | -176.9 | 0 | 113.8 | H164 P170 | H164-K166 PolarHBondContact O-N 3.13Å; K166-P170 VanDerWaalsContact O-CD 3.24Å; K166-P170 WeakPolarHBondContact O-CD 3.3Å; K166-P170 WeakPolarHBondContact O-CG 2.88Å |
| 167 | C | 94.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 50.9 Ų | 50.9 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -89 | -41.2 | -178.5 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | I143 H164 R165 P170 | I143-C167 HydrophobicContact CB-CB 3.87Å; I143-C167 HydrophobicContact CD1-CB 3.95Å; I143-C167 HydrophobicContact CG2-CB 3.79Å; H164-C167 HydrophobicContact CB-CB 4.01Å; H164-C167 PolarHBondContact O-N 3.47Å; R165-C167 PolarHBondContact O-N 3.1Å; C167-P170 WeakPolarHBondContact O-CG 3.13Å |
| 168 | V | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -87 | -29.2 | -173 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | I143 R155 I157 F163 H164 W171 L172 | I143-V168 HydrophobicContact CD1-CB 3.84Å; I143-V168 HydrophobicContact CD1-CG2 4.15Å; R155-V168 HydrophobicContact CB-CG1 3.72Å; R155-V168 HydrophobicContact CG-CG1 4.16Å; I157-V168 HydrophobicContact CD1-CG2 3.9Å; I157-V168 HydrophobicContact CG1-CG2 4.4Å; F163-V168 HydrophobicContact CB-CB 3.7Å; F163-V168 HydrophobicContact CB-CG1 4.05Å; F163-V168 HydrophobicContact CB-CG2 4.13Å; F163-V168 HydrophobicContact CD2-CB 4.45Å; F163-V168 HydrophobicContact CD2-CG2 3.94Å; F163-V168 HydrophobicContact CG-CB 4.22Å; F163-V168 HydrophobicContact CG-CG2 4.14Å; H164-V168 WeakPolarHBondContact O-CG1 3.39Å; H164-V168 PolarHBondContact O-N 3.46Å; V168-W171 WeakPolarHBondContact O-CB 3.15Å; V168-W171 PolarHBondContact O-N 3.47Å; V168-L172 HydrophobicContact CG2-CD1 3.76Å; V168-L172 HydrophobicContact CG2-CG 3.94Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.17Å; V168-L172 PolarHBondContact O-N 2.91Å |
| 169 | D | 93.1 | Very high | 92 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.1 | -54.9 | 176.3 | -70.6 | 10.6 | 0 | 0 | 0 | 112 | R155 R165 W171 L172 L173 | R155-D169 IonicContact CZ-OD1 2.63Å; R155-D169 IonicContact NE-OD1 3.12Å; R155-D169 PolarHBondContact NE-OD1 3.49Å; R155-D169 VanDerWaalsContact NH2-CG 3.28Å; R155-D169 IonicContact NH2-OD1 3Å; R155-D169 PolarHBondContact NH2-OD1 3.49Å; R155-D169 IonicContact NH2-OD2 2.81Å; R155-D169 PolarHBondContact NH2-OD2 2.92Å; R165-D169 VanDerWaalsContact CG-OD2 3.26Å; R165-D169 WeakPolarHBondContact CG-OD2 3.43Å; R165-D169 IonicContact NE-OD2 2.66Å; R165-D169 PolarHBondContact NE-OD2 3.5Å; R165-D169 VanDerWaalsContact O-CB 3.26Å; R165-D169 WeakPolarHBondContact O-CB 3.34Å; R165-D169 PolarHBondContact O-N 3.21Å; R165-D169 VanDerWaalsContact O-OD1 3.06Å; D169-W171 VanDerWaalsContact C-N 3.27Å; D169-W171 PolarHBondContact O-N 2.87Å; D169-L172 PolarHBondContact O-N 3.47Å; D169-L173 VanDerWaalsContact O-CG 3.28Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.21Å; D169-L173 VanDerWaalsContact O-N 3.11Å |
| 170 | P | 92.8 | Very high | 91.9 | Very high | 74 Ų | 74 | 52.1 Ų | 52.1 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -31.3 | 178.2 | 25.8 | -34.5 | 0 | 0 | 0 | 112.8 | K166 C167 A174 | K166-P170 VanDerWaalsContact O-CD 3.24Å; K166-P170 WeakPolarHBondContact O-CD 3.3Å; K166-P170 WeakPolarHBondContact O-CG 2.88Å; C167-P170 WeakPolarHBondContact O-CG 3.13Å; P170-A174 PolarHBondContact O-N 3.13Å |
| 171 | W | 92.9 | Very high | 92 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 38% | 0.375 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.4 | -49.1 | 176.4 | -180 | -85 | 0 | 0 | 0 | 112.1 | V168 D169 L173 A174 N175 T177 P179 | V168-W171 WeakPolarHBondContact O-CB 3.15Å; V168-W171 PolarHBondContact O-N 3.47Å; D169-W171 VanDerWaalsContact C-N 3.27Å; D169-W171 PolarHBondContact O-N 2.87Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.39Å; W171-A174 PolarHBondContact O-N 2.83Å; W171-A174 VanDerWaalsContact O-N 3.13Å; W171-N175 PolarHBondContact O-N 2.77Å; W171-T177 VanDerWaalsContact CD1-O 3.28Å; W171-T177 PolarHBondContact NE1-O 3.39Å; W171-P179 HydrophobicContact CD2-CG 4.23Å; W171-P179 HydrophobicContact CG-CG 4.24Å; W171-P179 HydrophobicContact CZ2-CB 4.44Å; W171-P179 HydrophobicContact CZ2-CG 4.36Å |
| 172 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.1 | -27 | -178.7 | -72.7 | 175.4 | 0 | 0 | 0 | 112.7 | L98 M101 I157 V168 D169 A174 H176 V185 | L98-L172 HydrophobicContact CD1-CB 4.4Å; L98-L172 HydrophobicContact CD2-CB 4Å; L98-L172 HydrophobicContact CD2-CD1 3.51Å; L98-L172 HydrophobicContact CD2-CG 4.39Å; L98-L172 HydrophobicContact CG-CB 4.45Å; M101-L172 HydrophobicContact CE-CD1 4.45Å; M101-L172 HydrophobicContact SD-CD1 4.27Å; I157-L172 HydrophobicContact CD1-CD1 4.23Å; I157-L172 HydrophobicContact CD1-CD2 4.5Å; I157-L172 HydrophobicContact CG1-CD1 4.36Å; V168-L172 HydrophobicContact CG2-CD1 3.76Å; V168-L172 HydrophobicContact CG2-CG 3.94Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.17Å; V168-L172 PolarHBondContact O-N 2.91Å; D169-L172 PolarHBondContact O-N 3.47Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.42Å; L172-H176 VanDerWaalsContact O-CA 3.3Å; L172-H176 WeakPolarHBondContact O-CA 3.42Å; L172-H176 PolarHBondContact O-N 3.2Å; L172-H176 VanDerWaalsContact O-N 3.13Å; L172-H176 PolarHBondContact O-ND1 3.05Å; L172-V185 HydrophobicContact CD1-CG1 4.49Å; L172-V185 HydrophobicContact CD2-CG1 3.81Å; L172-V185 HydrophobicContact CD2-CG2 4.15Å |
| 173 | L | 88.6 | Confident | 91.8 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.9 | -24.3 | 171.4 | -72.2 | 171.3 | 0 | 0 | 0 | 113.3 | A94 E95 L98 D169 W171 H176 | A94-L173 HydrophobicContact CB-CD2 4.49Å; E95-L173 HydrophobicContact CG-CD2 3.49Å; E95-L173 VanDerWaalsContact CG-CD2 3.49Å; L98-L173 HydrophobicContact CD1-CD2 3.93Å; L98-L173 HydrophobicContact CD1-CG 3.91Å; D169-L173 VanDerWaalsContact O-CG 3.28Å; D169-L173 WeakPolarHBondContact O-CG 3.33Å; D169-L173 PolarHBondContact O-N 3.21Å; D169-L173 VanDerWaalsContact O-N 3.11Å; W171-L173 VanDerWaalsContact C-N 3.31Å; W171-L173 PolarHBondContact O-N 3.39Å; L173-H176 PolarHBondContact O-CE1 3.18Å |
| 174 | A | 87 | Confident | 91.5 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 55% | 0.554 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -99.4 | -45.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P170 W171 L172 | P170-A174 PolarHBondContact O-N 3.13Å; W171-A174 PolarHBondContact O-N 2.83Å; W171-A174 VanDerWaalsContact O-N 3.13Å; L172-A174 VanDerWaalsContact C-N 3.26Å; L172-A174 PolarHBondContact O-N 3.42Å |
| 175 | N | 88.8 | Confident | 91.1 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 40% | 0.401 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -110.5 | -14.2 | -171.3 | -65.5 | -60.5 | 0 | 0 | 0 | 113.9 | W171 T177 | W171-N175 PolarHBondContact O-N 2.77Å; N175-T177 WeakPolarHBondContact O-CG2 3.46Å; N175-T177 PolarHBondContact O-N 3.33Å; N175-T177 PolarHBondContact O-OG1 3.48Å |
| 176 | H | 89.6 | Confident | 90.7 | Very high | 36 Ų | 36 | 48 Ų | 48 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | trans | 56.4 | 9.2 | -179.9 | -41.3 | -60.6 | 0 | 0 | 0 | 115.6 | V90 A94 L172 L173 D184 V185 V186 | V90-H176 WeakPolarHBondContact CG1-NE2 3.44Å; A94-H176 WeakPolarHBondContact CB-ND1 3.45Å; L172-H176 VanDerWaalsContact O-CA 3.3Å; L172-H176 WeakPolarHBondContact O-CA 3.42Å; L172-H176 PolarHBondContact O-N 3.2Å; L172-H176 VanDerWaalsContact O-N 3.13Å; L172-H176 PolarHBondContact O-ND1 3.05Å; L173-H176 PolarHBondContact O-CE1 3.18Å; H176-D184 CarbonylContact O-C 3.58Å; H176-D184 WeakPolarHBondContact O-CA 3.47Å; H176-V185 WeakPolarHBondContact O-CG2 3.41Å; H176-V185 PolarHBondContact O-N 2.89Å; H176-V186 HydrophobicContact CB-CG2 4.12Å | ||
| 177 | T | 92.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -127.5 | 145.9 | -169.9 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | W171 N175 F183 D184 V191 | W171-T177 VanDerWaalsContact CD1-O 3.28Å; W171-T177 PolarHBondContact NE1-O 3.39Å; N175-T177 WeakPolarHBondContact O-CG2 3.46Å; N175-T177 PolarHBondContact O-N 3.33Å; N175-T177 PolarHBondContact O-OG1 3.48Å; T177-F183 CarbonylContact C-O 3.44Å; T177-F183 VanDerWaalsContact CA-O 3.26Å; T177-F183 WeakPolarHBondContact CA-O 3.42Å; T177-D184 HydrophobicContact CG2-CB 4.13Å; T177-V191 HydrophobicContact CG2-CG2 4.12Å |
| 178 | C | 92.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | trans | -66.2 | 128.1 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | I157 C159 L180 C181 L182 F183 | I157-C178 HydrophobicContact CD1-CB 4.03Å; C159-C178 VanDerWaalsContact SG-SG 3.63Å; C178-L180 PolarHBondContact O-N 3.31Å; C178-L180 VanDerWaalsContact O-N 3.13Å; C178-L180 PolarHBondContact SG-N 2.87Å; C178-C181 VanDerWaalsContact SG-SG 3.61Å; C178-L182 WeakPolarHBondContact O-CA 3.42Å; C178-L182 PolarHBondContact O-N 2.79Å; C178-F183 HydrophobicContact CB-CB 4.15Å; C178-F183 PolarHBondContact N-O 3.45Å | ||
| 179 | P | 91.7 | Very high | 89.2 | Confident | 44 Ų | 44 | 55.2 Ų | 55.2 | 29% | 0.286 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.6 | 177.4 | -22.3 | 29.2 | 0 | 0 | 0 | 115.1 | I143 F163 W171 | I143-P179 HydrophobicContact CD1-CG 4.17Å; I143-P179 HydrophobicContact CG1-CG 4.14Å; F163-P179 HydrophobicContact CE1-CB 4.39Å; F163-P179 HydrophobicContact CE1-CG 4.13Å; F163-P179 HydrophobicContact CZ-CB 4.37Å; F163-P179 HydrophobicContact CZ-CG 4.07Å; W171-P179 HydrophobicContact CD2-CG 4.23Å; W171-P179 HydrophobicContact CG-CG 4.24Å; W171-P179 HydrophobicContact CZ2-CB 4.44Å; W171-P179 HydrophobicContact CZ2-CG 4.36Å |
| 180 | L | 90.4 | Very high | 88.6 | Confident | 91 Ų | 91 | 59 Ų | 59 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -34.4 | -173.2 | -69.2 | 172.9 | 0 | 0 | 0 | 113.7 | A142 H161 F163 C178 | A142-L180 HydrophobicContact CB-CD1 4.4Å; A142-L180 HydrophobicContact CB-CD2 3.84Å; A142-L180 HydrophobicContact CB-CG 4.33Å; H161-L180 HydrophobicContact CB-CD1 4.09Å; H161-L180 WeakPolarHBondContact CD2-CD1 3.24Å; F163-L180 HydrophobicContact CE1-CD1 3.93Å; F163-L180 HydrophobicContact CE1-CG 4.14Å; F163-L180 HydrophobicContact CE2-CD1 4.49Å; F163-L180 HydrophobicContact CZ-CB 4.48Å; F163-L180 HydrophobicContact CZ-CD1 3.55Å; F163-L180 HydrophobicContact CZ-CG 3.76Å; C178-L180 PolarHBondContact O-N 3.31Å; C178-L180 VanDerWaalsContact O-N 3.13Å; C178-L180 PolarHBondContact SG-N 2.87Å |
| 181 | C | 91.4 | Very high | 87.8 | Confident | 31 Ų | 31 | 58.2 Ų | 58.2 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 4.4 | -172.3 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | C159 C178 F183 H190 | C159-C181 PolarHBondContact SG-SG 2.86Å; C178-C181 VanDerWaalsContact SG-SG 3.61Å; C181-F183 PolarHBondContact O-N 2.76Å; C181-F183 VanDerWaalsContact SG-CB 3.6Å; C181-H190 PolarHBondContact O-ND1 3.33Å |
| 182 | L | 90.1 | Very high | 86.8 | Confident | 69 Ų | 69 | 58.8 Ų | 58.8 | 36% | 0.361 | 32% | 0.322 | S | S | . | . | trans | 54.8 | 26.6 | -179 | -65.5 | 80.2 | 0 | 0 | 0 | 113.6 | C178 D184 V191 | C178-L182 WeakPolarHBondContact O-CA 3.42Å; C178-L182 PolarHBondContact O-N 2.79Å; L182-D184 PolarHBondContact O-N 2.9Å; L182-V191 PolarHBondContact O-N 3.42Å | ||
| 183 | F | 89.4 | Confident | 85.2 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 9% | 0.088 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.1 | 170.7 | -174.2 | -88.9 | 0 | 0 | 0 | 110 | S158 C159 T177 C178 C181 V185 E188 H190 | S158-F183 WeakPolarHBondContact OG-CE1 3.44Å; C159-F183 HydrophobicContact CB-CB 3.78Å; C159-F183 HydrophobicContact CB-CD1 4.22Å; C159-F183 HydrophobicContact CB-CD2 4.28Å; C159-F183 HydrophobicContact CB-CG 3.82Å; T177-F183 CarbonylContact C-O 3.44Å; T177-F183 VanDerWaalsContact CA-O 3.26Å; T177-F183 WeakPolarHBondContact CA-O 3.42Å; C178-F183 HydrophobicContact CB-CB 4.15Å; C178-F183 PolarHBondContact N-O 3.45Å; C181-F183 PolarHBondContact O-N 2.76Å; C181-F183 VanDerWaalsContact SG-CB 3.6Å; F183-V185 HydrophobicContact CD1-CG1 4.43Å; F183-E188 HydrophobicContact CE1-CG 4.43Å; F183-E188 HydrophobicContact CZ-CB 4.29Å; F183-E188 HydrophobicContact CZ-CG 3.82Å; F183-H190 AromaticContact CD2-CD2 3.63Å; F183-H190 AromaticContact CD2-CE1 3.86Å; F183-H190 AromaticContact CD2-NE2 3.52Å |
| 184 | D | 88.9 | Confident | 83.8 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 119 | 175.6 | -173.8 | -34.1 | 0 | 0 | 0 | 109.9 | H176 T177 L182 V186 L187 E188 K189 V191 | H176-D184 CarbonylContact O-C 3.58Å; H176-D184 WeakPolarHBondContact O-CA 3.47Å; T177-D184 HydrophobicContact CG2-CB 4.13Å; L182-D184 PolarHBondContact O-N 2.9Å; D184-V186 VanDerWaalsContact C-N 3.29Å; D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.23Å; D184-V186 WeakPolarHBondContact OD1-CB 3.2Å; D184-V186 PolarHBondContact OD1-N 3.06Å; D184-L187 HydrophobicContact CB-CB 4.08Å; D184-L187 PolarHBondContact OD1-N 3.46Å; D184-L187 VanDerWaalsContact OD2-CD1 3.24Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-L187 WeakPolarHBondContact OD2-CG 3.42Å; D184-E188 VanDerWaalsContact O-CA 3.26Å; D184-E188 WeakPolarHBondContact O-CA 3.18Å; D184-E188 PolarHBondContact O-N 2.99Å; D184-K189 WeakPolarHBondContact CB-O 3.08Å; D184-K189 PolarHBondContact N-O 3.49Å; D184-K189 PolarHBondContact O-N 2.99Å; D184-V191 HydrophobicContact CB-CG2 3.75Å |
| 185 | V | 87 | Confident | 81.7 | Confident | 14 Ų | 14 | 73.4 Ų | 73.4 | 9% | 0.085 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.8 | -176.6 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | A97 M101 I157 L172 H176 F183 | A97-V185 HydrophobicContact CB-CG2 4.28Å; M101-V185 HydrophobicContact CE-CB 3.61Å; M101-V185 HydrophobicContact CE-CG1 3.68Å; M101-V185 HydrophobicContact CE-CG2 4.08Å; I157-V185 HydrophobicContact CG2-CG1 3.68Å; L172-V185 HydrophobicContact CD1-CG1 4.49Å; L172-V185 HydrophobicContact CD2-CG1 3.81Å; L172-V185 HydrophobicContact CD2-CG2 4.15Å; H176-V185 WeakPolarHBondContact O-CG2 3.41Å; H176-V185 PolarHBondContact O-N 2.89Å; F183-V185 HydrophobicContact CD1-CG1 4.43Å |
| 186 | V | 85.3 | Confident | 79.6 | Confident | 48 Ų | 48 | 78 Ų | 78 | 29% | 0.291 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -41.9 | 177.3 | 178.2 | 0 | 0 | 0 | 0 | 110.4 | L93 A94 H176 D184 | L93-V186 HydrophobicContact CB-CG1 3.99Å; L93-V186 HydrophobicContact CB-CG2 4.44Å; L93-V186 HydrophobicContact CD1-CG1 4.1Å; A94-V186 HydrophobicContact CB-CG2 4.28Å; H176-V186 HydrophobicContact CB-CG2 4.12Å; D184-V186 VanDerWaalsContact C-N 3.29Å; D184-V186 PolarHBondContact O-N 3.47Å; D184-V186 WeakPolarHBondContact OD1-CA 3.23Å; D184-V186 WeakPolarHBondContact OD1-CB 3.2Å; D184-V186 PolarHBondContact OD1-N 3.06Å |
| 187 | L | 83.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 81.8 Ų | 81.8 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -9.3 | 177.7 | -62.3 | 176.5 | 0 | 0 | 0 | 113.6 | D184 K189 | D184-L187 HydrophobicContact CB-CB 4.08Å; D184-L187 PolarHBondContact OD1-N 3.46Å; D184-L187 VanDerWaalsContact OD2-CD1 3.24Å; D184-L187 WeakPolarHBondContact OD2-CD1 3.47Å; D184-L187 WeakPolarHBondContact OD2-CG 3.42Å; L187-K189 HydrophobicContact CB-CD 4.07Å; L187-K189 HydrophobicContact CB-CG 3.78Å; L187-K189 VanDerWaalsContact CD1-CE 3.43Å; L187-K189 PolarHBondContact O-N 2.83Å |
| 188 | E | 81.9 | Confident | 74.7 | Confident | 152 Ų | 152 | 86.1 Ų | 86.1 | 71% | 0.71 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.9 | -177.9 | -154.2 | 170 | -170.8 | 0 | 0 | 112.9 | F183 D184 | F183-E188 HydrophobicContact CE1-CG 4.43Å; F183-E188 HydrophobicContact CZ-CB 4.29Å; F183-E188 HydrophobicContact CZ-CG 3.82Å; D184-E188 VanDerWaalsContact O-CA 3.26Å; D184-E188 WeakPolarHBondContact O-CA 3.18Å; D184-E188 PolarHBondContact O-N 2.99Å |
| 189 | K | 83.5 | Confident | 72.5 | Confident | 115 Ų | 115 | 90.4 Ų | 90.4 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 156.8 | -177.8 | 71.4 | -174.7 | -178.3 | -174.4 | 0 | 111.9 | D184 L187 V191 | D184-K189 WeakPolarHBondContact CB-O 3.08Å; D184-K189 PolarHBondContact N-O 3.49Å; D184-K189 PolarHBondContact O-N 2.99Å; L187-K189 HydrophobicContact CB-CD 4.07Å; L187-K189 HydrophobicContact CB-CG 3.78Å; L187-K189 VanDerWaalsContact CD1-CE 3.43Å; L187-K189 PolarHBondContact O-N 2.83Å; K189-V191 PolarHBondContact O-N 3.07Å |
| 190 | H | 80.5 | Confident | 70.4 | Confident | 110 Ų | 110 | 96.4 Ų | 96.4 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 127.3 | 169.8 | -72.6 | -87.1 | 0 | 0 | 0 | 110.8 | C181 F183 | C181-H190 PolarHBondContact O-ND1 3.33Å; F183-H190 AromaticContact CD2-CD2 3.63Å; F183-H190 AromaticContact CD2-CE1 3.86Å; F183-H190 AromaticContact CD2-NE2 3.52Å |
| 191 | V | 77.5 | Confident | 68.3 | Low | 56 Ų | 56 | 97.6 Ų | 97.6 | 34% | 0.339 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -79 | 125.7 | 171.8 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | T177 L182 D184 K189 S193 | T177-V191 HydrophobicContact CG2-CG2 4.12Å; L182-V191 PolarHBondContact O-N 3.42Å; D184-V191 HydrophobicContact CB-CG2 3.75Å; K189-V191 PolarHBondContact O-N 3.07Å; V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.13Å |
| 192 | P | 71.6 | Confident | 66.5 | Low | 112 Ų | 112 | 102.8 Ų | 102.8 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 122.5 | 171.3 | -19.6 | 30.4 | 0 | 0 | 0 | 108.5 | R194 | P192-R194 PolarHBondContact O-N 2.94Š|
| 193 | S | 58.4 | Low | 64.3 | Low | 85 Ų | 85 | 107.5 Ų | 107.5 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 116.7 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | V191 Q195 | V191-S193 PolarHBondContact O-N 3.31Å; V191-S193 VanDerWaalsContact O-N 3.13Å; S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.16Å |
| 194 | R | 58 | Low | 61.9 | Low | 169 Ų | 169 | 112.1 Ų | 112.1 | 64% | 0.638 | 61% | 0.611 | S | S | * | * | trans | -67.7 | 92.7 | 171.5 | -162.9 | 179 | -152.3 | -146.1 | 6.3 | 105.9 | P192 E196 N245 | P192-R194 PolarHBondContact O-N 2.94Å; R194-E196 PolarHBondContact O-N 2.99Å; R194-N245 PolarHBondContact NH1-OD1 3.34Å; R194-N245 PolarHBondContact NH2-OD1 2.81Å; R194-N245 VanDerWaalsContact NH2-OD1 3.15Å | ||
| 195 | Q | 43.4 | Very low | 59.8 | Low | 166 Ų | 166 | 115.2 Ų | 115.2 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | trans | -50.5 | 129.1 | 156.4 | -83.3 | 171.3 | -51.1 | 0 | 0 | 105.9 | S193 | S193-Q195 VanDerWaalsContact C-N 3.26Å; S193-Q195 PolarHBondContact O-N 3.16Å | ||
| 196 | E | 43.9 | Very low | 57.7 | Low | 171 Ų | 171 | 122.9 Ų | 122.9 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | trans | -37.7 | 144.8 | 164.3 | -114 | 179.5 | 109.6 | 0 | 0 | 108.9 | R194 T198 | R194-E196 PolarHBondContact O-N 2.99Å; E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 2.97Å | ||
| 197 | P | 39.3 | Very low | 55.8 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 70% | 0.696 | S | S | * | * | trans | -51.4 | 106.5 | 171 | -13.7 | 25.6 | 0 | 0 | 0 | 106.7 | A199 | P197-A199 PolarHBondContact O-N 3.12Š| ||
| 198 | T | 40.9 | Very low | 53.9 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -54.5 | 115.4 | 174.9 | -32.8 | 0 | 0 | 0 | 0 | 103.9 | E196 E200 | E196-T198 VanDerWaalsContact C-N 3.32Å; E196-T198 PolarHBondContact O-N 2.97Å; T198-E200 PolarHBondContact O-N 2.73Å | ||
| 199 | A | 45.6 | Very low | 51.8 | Low | 91 Ų | 91 | 130.9 Ų | 130.9 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | trans | -39.3 | 127.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | P197 | P197-A199 PolarHBondContact O-N 3.12Š| ||
| 200 | E | 47.8 | Very low | 49.8 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | -46.2 | 147.7 | 179.1 | -53.9 | -155.7 | 128 | 0 | 0 | 109.5 | T198 V202 | T198-E200 PolarHBondContact O-N 2.73Å; E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.89Å | ||
| 201 | P | 45.1 | Very low | 48.3 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | -54.9 | 105.4 | 172.9 | -15 | 27.3 | 0 | 0 | 0 | 107 | E203 | P201-E203 PolarHBondContact O-N 3.4Š| ||
| 202 | V | 54.7 | Low | 46.9 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | trans | -66.2 | 81.2 | 160.1 | 37.5 | 0 | 0 | 0 | 0 | 103.9 | E200 S204 | E200-V202 VanDerWaalsContact C-N 3.33Å; E200-V202 PolarHBondContact O-N 2.89Å; V202-S204 PolarHBondContact O-N 3.46Å | ||
| 203 | E | 42.6 | Very low | 45.4 | Very low | 168 Ų | 168 | 135.1 Ų | 135.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 96.2 | 175.5 | -165.5 | 156.4 | 141.3 | 0 | 0 | 105.7 | P201 A205 | P201-E203 PolarHBondContact O-N 3.4Å; E203-A205 PolarHBondContact O-N 3.46Å | ||
| 204 | S | 39.1 | Very low | 44.6 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -52.1 | 87 | 167.2 | -166.2 | 0 | 0 | 0 | 0 | 109 | V202 | V202-S204 PolarHBondContact O-N 3.46Š| ||
| 205 | A | 45.1 | Very low | 43.8 | Very low | 85 Ų | 85 | 138.8 Ų | 138.8 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -125.9 | 82.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | E203 S207 | E203-A205 PolarHBondContact O-N 3.46Å; A205-S207 PolarHBondContact O-N 2.82Å | ||
| 206 | M | 44.4 | Very low | 44 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | trans | -54.6 | 128.2 | 164.2 | -164.7 | 109.6 | 90.2 | 0 | 0 | 109.7 | ||||
| 207 | S | 45.1 | Very low | 44.2 | Very low | 101 Ų | 101 | 134.4 Ų | 134.4 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 91 | 161 | 156.1 | -36.2 | 0 | 0 | 0 | 0 | 118.4 | A205 | A205-S207 PolarHBondContact O-N 2.82Š| ||
| 208 | P | 43.3 | Very low | 44.6 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | -128 | 163 | -54.4 | 29.5 | -11.9 | 0 | 0 | 0 | 113.5 | |||||
| 209 | W | 38.5 | Very low | 44.8 | Very low | 246 Ų | 246 | 134.5 Ų | 134.5 | 93% | 0.932 | 77% | 0.771 | S | S | * | * | trans | -33.3 | 150.9 | -173.3 | -61.7 | 68.8 | 0 | 0 | 0 | 119.9 | ||||
| 210 | P | 40.9 | Very low | 45.2 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -85.1 | 141.5 | -165.7 | 35.2 | -33 | 0 | 0 | 0 | 112.6 | ||||
| 211 | S | 49.2 | Very low | 45 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -117.4 | 119.4 | 164 | -62.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 212 | T | 47.4 | Very low | 44.7 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 2.6 | 128.5 | 141.7 | -36.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 213 | D | 41.2 | Very low | 44.4 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 64% | 0.642 | 77% | 0.768 | S | S | * | * | -179.6 | 158.4 | 64.7 | -155.3 | -5.8 | 0 | 0 | 0 | 111.7 | |||||
| 214 | Q | 40.3 | Very low | 44.8 | Very low | 133 Ų | 133 | 136 Ų | 136 | 62% | 0.621 | 77% | 0.772 | S | S | * | * | trans | 74.4 | 114.5 | 141.6 | -93.5 | 168.2 | 58.3 | 0 | 0 | 122.5 | ||||
| 215 | R | 41.6 | Very low | 44.8 | Very low | 198 Ų | 198 | 134 Ų | 134 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | 106.3 | 86 | 116.1 | -163.6 | 177.5 | -72.2 | -129.2 | 2.6 | 118.5 | |||||
| 216 | T | 48 | Very low | 44.7 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | 58.5 | 158 | 124.3 | 54 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 217 | P | 47.5 | Very low | 44.6 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -117.5 | 167.4 | -137.7 | 42.9 | -32.8 | 0 | 0 | 0 | 115.7 | ||||
| 218 | N | 47.5 | Very low | 44.8 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -167.1 | 102.9 | 167.8 | 32 | 5.3 | 0 | 0 | 0 | 108.2 | ||||
| 219 | A | 45.3 | Very low | 45.3 | Very low | 91 Ų | 91 | 147.2 Ų | 147.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 71 | 117.9 | 91.8 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 220 | T | 54.3 | Low | 46.1 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | 133.2 | 98.5 | 128.9 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 221 | L | 43.3 | Very low | 46.6 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 38.2 | 111.7 | 133.6 | -78.6 | 142.5 | 0 | 0 | 0 | 119.5 | ||||
| 222 | S | 40.3 | Very low | 47 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -98.6 | 126.9 | 154.8 | -60 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 223 | I | 48.3 | Very low | 47.4 | Very low | 130 Ų | 130 | 137.8 Ų | 137.8 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -121.9 | 147.4 | 162.9 | -62.9 | 177.8 | 0 | 0 | 0 | 106.8 | ||||
| 224 | H | 51.1 | Low | 48.1 | Very low | 187 Ų | 187 | 134 Ų | 134 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | trans | 90.2 | 116.6 | -177 | -52.2 | 88 | 0 | 0 | 0 | 112.3 | ||||
| 225 | G | 38.2 | Very low | 48.5 | Very low | 73 Ų | 73 | 132.3 Ų | 132.3 | 75% | 0.753 | 72% | 0.724 | S | S | * | * | cis | 143.8 | 132.4 | 13 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 226 | R | 43.7 | Very low | 49 | Very low | 238 Ų | 238 | 125.8 Ų | 125.8 | 90% | 0.898 | 71% | 0.713 | S | S | * | * | trans | 156.7 | 100.9 | 146.1 | -165.5 | 172.3 | -68.6 | -144.1 | 1.4 | 108.9 | S228 | R226-S228 PolarHBondContact O-N 3.41Š| ||
| 227 | R | 42.2 | Very low | 49.2 | Very low | 248 Ų | 248 | 122.2 Ų | 122.2 | 94% | 0.936 | 70% | 0.696 | S | S | * | * | trans | -77.4 | 111.4 | 166.9 | -72.2 | -179.3 | -163.1 | -171.4 | 4 | 108 | ||||
| 228 | S | 49.4 | Very low | 49.5 | Very low | 106 Ų | 106 | 121.9 Ų | 121.9 | 74% | 0.741 | 68% | 0.683 | S | S | * | * | trans | -86.1 | 125.3 | 156.7 | -91.5 | 0 | 0 | 0 | 0 | 108.2 | R226 E230 | R226-S228 PolarHBondContact O-N 3.41Å; S228-E230 PolarHBondContact O-N 3.26Å | ||
| 229 | I | 52.8 | Low | 49.6 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 85% | 0.851 | 68% | 0.675 | S | S | * | * | trans | -71 | 108.1 | 178.2 | -62.5 | 167.6 | 0 | 0 | 0 | 107.3 | ||||
| 230 | E | 54.9 | Low | 49.8 | Very low | 114 Ų | 114 | 120.2 Ų | 120.2 | 53% | 0.533 | 67% | 0.666 | S | S | . | * | trans | -77.8 | 132 | 171 | -74.8 | -173 | 140.8 | 0 | 0 | 109.8 | S228 K238 | S228-E230 PolarHBondContact O-N 3.26Å; E230-K238 VanDerWaalsContact CD-NZ 3.33Å; E230-K238 IonicContact OE1-NZ 2.76Å; E230-K238 PolarHBondContact OE1-NZ 3.45Å; E230-K238 IonicContact OE2-NZ 3.97Å; E230-K238 PolarHBondContact OE2-NZ 2.73Å; E230-K238 VanDerWaalsContact OE2-NZ 3.12Å | ||
| 231 | S | 52.2 | Low | 49.7 | Very low | 66 Ų | 66 | 121.4 Ų | 121.4 | 46% | 0.462 | 66% | 0.663 | S | S | . | * | trans | -59.2 | 142.4 | 176.9 | 155.8 | 0 | 0 | 0 | 0 | 111.8 | V233 S234 | S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-N 3.3Å; S231-S234 PolarHBondContact O-N 2.87Å; S231-S234 PolarHBondContact O-OG 2.89Å | ||
| 232 | P | 57.2 | Low | 49.9 | Very low | 116 Ų | 116 | 119.3 Ų | 119.3 | 75% | 0.753 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -59.9 | -12 | 179.2 | 22 | -31.3 | 0 | 0 | 0 | 114.4 | ||
| 233 | V | 57 | Low | 50.2 | Low | 114 Ų | 114 | 119.8 Ų | 119.8 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.8 | -29 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | S231 A237 | S231-V233 PolarHBondContact O-N 3.07Å; S231-V233 PolarHBondContact OG-N 3.3Å; V233-A237 PolarHBondContact O-N 3.11Å |
| 234 | S | 55.1 | Low | 50.2 | Low | 40 Ų | 40 | 117 Ų | 117 | 28% | 0.28 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -81.3 | -25.1 | -178.6 | 68.5 | 0 | 0 | 0 | 0 | 113.3 | S231 A237 K238 | S231-S234 PolarHBondContact O-N 2.87Å; S231-S234 PolarHBondContact O-OG 2.89Å; S234-A237 PolarHBondContact O-N 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 2.66Å; S234-K238 VanDerWaalsContact O-N 3.1Å |
| 235 | L | 47.8 | Very low | 50 | Low | 98 Ų | 98 | 113.3 Ų | 113.3 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -72.4 | -37.5 | 177.8 | -141.6 | 78.6 | 0 | 0 | 0 | 111.9 | K238 Q239 | L235-K238 PolarHBondContact O-N 3.26Å; L235-Q239 PolarHBondContact O-N 2.83Å; L235-Q239 VanDerWaalsContact O-N 3.13Å |
| 236 | A | 52.6 | Low | 50.7 | Low | 62 Ų | 62 | 115.6 Ų | 115.6 | 51% | 0.512 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.9 | -34.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A240 | A236-A240 PolarHBondContact O-N 3.45Å |
| 237 | A | 52.5 | Low | 51 | Low | 51 Ų | 51 | 108.1 Ų | 108.1 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -68.5 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V233 S234 Q239 A240 Q241 | V233-A237 PolarHBondContact O-N 3.11Å; S234-A237 PolarHBondContact O-N 3.32Å; A237-Q239 PolarHBondContact O-N 3.12Å; A237-A240 PolarHBondContact O-N 3Å; A237-Q241 PolarHBondContact O-N 3.34Å; A237-Q241 PolarHBondContact O-OE1 3.26Å |
| 238 | K | 54.8 | Low | 50.8 | Low | 112 Ų | 112 | 106 Ų | 106 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.7 | -34 | 176.4 | -73.8 | 175.1 | -176.9 | 177 | 0 | 112.8 | E230 S234 L235 | E230-K238 VanDerWaalsContact CD-NZ 3.33Å; E230-K238 IonicContact OE1-NZ 2.76Å; E230-K238 PolarHBondContact OE1-NZ 3.45Å; E230-K238 IonicContact OE2-NZ 3.97Å; E230-K238 PolarHBondContact OE2-NZ 2.73Å; E230-K238 VanDerWaalsContact OE2-NZ 3.12Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 2.66Å; S234-K238 VanDerWaalsContact O-N 3.1Å; L235-K238 PolarHBondContact O-N 3.26Å |
| 239 | Q | 49.6 | Very low | 50.6 | Low | 137 Ų | 137 | 105.7 Ų | 105.7 | 64% | 0.64 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.7 | -27.1 | 176.9 | -78.3 | -178.7 | -33 | 0 | 0 | 113.8 | L235 A237 | L235-Q239 PolarHBondContact O-N 2.83Å; L235-Q239 VanDerWaalsContact O-N 3.13Å; A237-Q239 PolarHBondContact O-N 3.12Å |
| 240 | A | 49.1 | Very low | 50.2 | Low | 66 Ų | 66 | 101.5 Ų | 101.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -74.7 | -27.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A236 A237 T242 | A236-A240 PolarHBondContact O-N 3.45Å; A237-A240 PolarHBondContact O-N 3Å; A240-T242 PolarHBondContact O-N 3.14Å |
| 241 | Q | 51.5 | Low | 49.7 | Very low | 151 Ų | 151 | 99.6 Ų | 99.6 | 71% | 0.706 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.3 | -25.4 | -179.2 | -116 | 104.8 | 32.5 | 0 | 0 | 113.8 | A237 | A237-Q241 PolarHBondContact O-N 3.34Å; A237-Q241 PolarHBondContact O-OE1 3.26Å |
| 242 | T | 48.6 | Very low | 49.3 | Very low | 106 Ų | 106 | 105.2 Ų | 105.2 | 65% | 0.65 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -21.5 | -177.1 | -50.6 | 0 | 0 | 0 | 0 | 113.2 | A240 | A240-T242 PolarHBondContact O-N 3.14Š|
| 243 | I | 46.6 | Very low | 48.8 | Very low | 135 Ų | 135 | 103.6 Ų | 103.6 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -18.9 | -175.9 | -60.7 | 175.3 | 0 | 0 | 0 | 112.2 | ||
| 244 | A | 47 | Very low | 48 | Very low | 71 Ų | 71 | 108.3 Ų | 108.3 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -18.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 245 | N | 47.4 | Very low | 47.5 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -3.9 | -174.1 | -115.4 | 20.7 | 0 | 0 | 0 | 114.7 | R194 | R194-N245 PolarHBondContact NH1-OD1 3.34Å; R194-N245 PolarHBondContact NH2-OD1 2.81Å; R194-N245 VanDerWaalsContact NH2-OD1 3.15Å |
| 246 | I | 53.7 | Low | 47.2 | Very low | 121 Ų | 121 | 114.9 Ų | 114.9 | 62% | 0.621 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -101.2 | -15.2 | -176.6 | -59.5 | 172.8 | 0 | 0 | 0 | 112.5 | ||
| 247 | N | 48.6 | Very low | 46.6 | Very low | 81 Ų | 81 | 116.5 Ų | 116.5 | 43% | 0.433 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -95 | -5.8 | -169.2 | -138.7 | 9.7 | 0 | 0 | 0 | 114.8 | ||
| 248 | W | 39 | Very low | 45.9 | Very low | 203 Ų | 203 | 117 Ų | 117 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -85.9 | -23.7 | -176.9 | -151.9 | -8.5 | 0 | 0 | 0 | 113.1 | ||
| 249 | S | 43.9 | Very low | 45.3 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 70% | 0.699 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -10.6 | -179.2 | 55.9 | 0 | 0 | 0 | 0 | 115 | ||
| 250 | S | 44.6 | Very low | 45 | Very low | 78 Ų | 78 | 122.1 Ų | 122.1 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.1 | -0.3 | -177.6 | -61.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 251 | S | 45.7 | Very low | 44.9 | Very low | 75 Ų | 75 | 123.3 Ų | 123.3 | 52% | 0.524 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -99.3 | -1.5 | -174.3 | -48.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 252 | H | 43.5 | Very low | 44.5 | Very low | 184 Ų | 184 | 122.8 Ų | 122.8 | 85% | 0.852 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -111.7 | 16.9 | -173.9 | -115.4 | -120.3 | 0 | 0 | 0 | 114.7 | ||
| 253 | S | 46.9 | Very low | 44.3 | Very low | 82 Ų | 82 | 126.6 Ų | 126.6 | 57% | 0.573 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -120.6 | 15.5 | -178.5 | 49.4 | 0 | 0 | 0 | 0 | 115 | ||
| 254 | Y | 40.2 | Very low | 44.3 | Very low | 213 Ų | 213 | 126.8 Ų | 126.8 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | trans | -122.4 | 59 | 171.2 | -73.4 | -83 | 0 | 0 | 0 | 111.7 | ||||
| 255 | V | 44 | Very low | 44.4 | Very low | 131 Ų | 131 | 128 Ų | 128 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | -132 | 80.9 | 161.7 | -177.1 | 0 | 0 | 0 | 0 | 106 | ||||
| 256 | T | 41.5 | Very low | 44.7 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 170.9 | 66.9 | 165.1 | 32.5 | 0 | 0 | 0 | 0 | 110.5 | ||
| 257 | A | 40.1 | Very low | 44.3 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 79% | 0.793 | 75% | 0.751 | S | S | * | * | trans | -170.6 | 50.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | T259 | A257-T259 PolarHBondContact O-N 3.41Š| ||
| 258 | G | 37.1 | Very low | 44 | Very low | 62 Ų | 62 | 139.8 Ų | 139.8 | 64% | 0.639 | 77% | 0.768 | S | S | * | * | trans | -87.6 | 93.5 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Y260 | G258-Y260 WeakPolarHBondContact O-CD2 3.14Å; G258-Y260 PolarHBondContact O-N 3.41Å; G258-Y260 VanDerWaalsContact O-N 3.09Å | ||
| 259 | T | 43.5 | Very low | 44.3 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | trans | -64.7 | 107.3 | 174.7 | -14.6 | 0 | 0 | 0 | 0 | 108.6 | A257 A261 | A257-T259 PolarHBondContact O-N 3.41Å; T259-A261 PolarHBondContact O-N 3.47Å | ||
| 260 | Y | 42.1 | Very low | 44.4 | Very low | 220 Ų | 220 | 138.5 Ų | 138.5 | 86% | 0.863 | 77% | 0.772 | S | S | * | * | trans | -66.8 | 95.3 | 165.1 | -67.6 | -101.4 | 0 | 0 | 0 | 107.8 | G258 | G258-Y260 WeakPolarHBondContact O-CD2 3.14Å; G258-Y260 PolarHBondContact O-N 3.41Å; G258-Y260 VanDerWaalsContact O-N 3.09Å | ||
| 261 | A | 47.3 | Very low | 44.3 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | -111.4 | 85.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108 | T259 | T259-A261 PolarHBondContact O-N 3.47Š| ||
| 262 | N | 44.2 | Very low | 44.2 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | trans | -67 | 122.1 | 158.5 | -73.9 | -59.5 | 0 | 0 | 0 | 107.9 | ||||
| 263 | F | 44.5 | Very low | 44.3 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 82% | 0.82 | 80% | 0.8 | S | S | * | * | trans | -141.2 | 94.9 | 152 | -116.3 | -89.7 | 0 | 0 | 0 | 107.9 | T265 | F263-T265 HydrophobicContact CD1-CG2 4.01Å; F263-T265 HydrophobicContact CE1-CG2 3.96Å | ||
| 264 | V | 46.7 | Very low | 44.1 | Very low | 138 Ų | 138 | 148.8 Ų | 148.8 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -91.2 | 117 | 154.4 | 174.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 265 | T | 48.4 | Very low | 44.4 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 60% | 0.595 | 82% | 0.816 | S | S | * | * | trans | -142.5 | 113.3 | 160.2 | 38.1 | 0 | 0 | 0 | 0 | 107.7 | F263 | F263-T265 HydrophobicContact CD1-CG2 4.01Å; F263-T265 HydrophobicContact CE1-CG2 3.96Å | ||
| 266 | F | 53.8 | Low | 44.5 | Very low | 280 Ų | 280 | 144.6 Ų | 144.6 | 100% | 1.228 | 82% | 0.818 | S | S | * | * | trans | 38.8 | 0 | 155 | -68.3 | -84.4 | 0 | 0 | 0 | 120 |
Retrieved 266 of 266 residues in 36.7 ms
(Link to these results)