| 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 | 33.7 | Very low | 32.2 | Very low | 242 Ų | 242 | 154.8 Ų | 154.8 | 100% | 1.192 | 81% | 0.809 | S | S | * | * | 0 | 124.2 | 0 | -95.4 | 156.2 | 170.3 | 0 | 0 | 107.1 | |||||
| 2 | E | 29.3 | Very low | 33 | Very low | 182 Ų | 182 | 151 Ų | 151 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -48.6 | 155.8 | 176.1 | -63.1 | 138.1 | 116.8 | 0 | 0 | 111.3 | ||||
| 3 | S | 31.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 151.9 Ų | 151.9 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -176.9 | 126.7 | 55.2 | 42.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 4 | N | 31.6 | Very low | 31.8 | Very low | 144 Ų | 144 | 155.9 Ų | 155.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 63.9 | 140.2 | 99.9 | -80.2 | -14.1 | 0 | 0 | 0 | 115.8 | |||||
| 5 | I | 34.1 | Very low | 31.4 | Very low | 126 Ų | 126 | 155.1 Ų | 155.1 | 65% | 0.646 | 79% | 0.794 | S | S | * | * | cis | -169.3 | 138.4 | 6 | -99 | 156.6 | 0 | 0 | 0 | 108.8 | ||||
| 6 | I | 33.9 | Very low | 31 | Very low | 135 Ų | 135 | 156.8 Ų | 156.8 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | trans | 16.1 | 151.7 | 133.4 | -22.2 | 175.1 | 0 | 0 | 0 | 117.4 | ||||
| 7 | P | 42.3 | Very low | 31.5 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | -156 | 160 | 38.1 | 44.6 | -20.6 | 0 | 0 | 0 | 124.1 | ||||
| 8 | D | 30.4 | Very low | 31.1 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 44.8 | 132.2 | 135.8 | -80.2 | -63.4 | 0 | 0 | 0 | 127.4 | ||||
| 9 | S | 29.9 | Very low | 30.8 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | 74.3 | 113.2 | 127.4 | -161.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 10 | I | 29.8 | Very low | 30.5 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | trans | -137.9 | 120.1 | 162 | -62.1 | 177.2 | 0 | 0 | 0 | 111.1 | ||||
| 11 | R | 27.9 | Very low | 30.4 | Very low | 233 Ų | 233 | 148.8 Ų | 148.8 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -165 | 164.6 | 149.3 | -103 | -166.3 | -172.4 | -176.6 | 4.1 | 107.2 | ||||
| 12 | P | 41.1 | Very low | 30 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | cis | -133.9 | -167 | -44.6 | 35 | -15.1 | 0 | 0 | 0 | 111.6 | ||||
| 13 | Q | 24.6 | Very low | 30 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | 101.2 | 112.9 | 155.5 | -68.5 | -120.2 | -9.3 | 0 | 0 | 121.5 | ||||
| 14 | R | 24.9 | Very low | 29.8 | Very low | 207 Ų | 207 | 136.7 Ų | 136.7 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | 74.5 | 143.1 | 120.5 | -133.5 | -173.5 | -147 | -153.6 | 3.1 | 122.3 | |||||
| 15 | L | 26.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 94.6 | 102.5 | 155.5 | -61.8 | 163.4 | 0 | 0 | 0 | 118.9 | ||||
| 16 | Q | 25.2 | Very low | 30.1 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | 25.9 | 165.8 | 111.1 | -110.7 | -159.1 | 45.3 | 0 | 0 | 120.5 | |||||
| 17 | P | 38.4 | Very low | 30 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -127.6 | 174.2 | -78.6 | 35.9 | -15.9 | 0 | 0 | 0 | 113.7 | |||||
| 18 | G | 24.5 | Very low | 29.4 | Very low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | trans | 119.7 | 141.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 19 | I | 25.9 | Very low | 29.4 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 63.8 | 131.9 | 153.6 | -61.8 | 130.3 | 0 | 0 | 0 | 115.3 | ||||
| 20 | G | 25.6 | Very low | 29.4 | Very low | 57 Ų | 57 | 139 Ų | 139 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | cis | 152.9 | -179.1 | 20.8 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 21 | F | 27 | Very low | 29.3 | Very low | 212 Ų | 212 | 136 Ų | 136 | 93% | 0.93 | 78% | 0.782 | S | S | * | * | trans | 78.4 | 138.2 | 178.2 | -56 | -82.4 | 0 | 0 | 0 | 116.3 | ||||
| 22 | G | 25.4 | Very low | 29.2 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | cis | -169.8 | 172.5 | 1.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 23 | S | 29.2 | Very low | 28.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | cis | 174.7 | 152.2 | 35.2 | 51.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 24 | G | 29.1 | Very low | 28.8 | Very low | 74 Ų | 74 | 130.8 Ų | 130.8 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 110.3 | 145.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 25 | P | 39.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -132.3 | 163.8 | -129.8 | 38.1 | -20.8 | 0 | 0 | 0 | 115.3 | |||||
| 26 | T | 32.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | 174.1 | 106.1 | 140.1 | 27 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 27 | G | 30.3 | Very low | 29.8 | Very low | 73 Ų | 73 | 125.9 Ų | 125.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | 99.5 | 142 | 106 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 28 | T | 31.1 | Very low | 29.4 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | cis | -172 | 128.6 | 2.7 | -59 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 29 | L | 28.6 | Very low | 29.6 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | 51.1 | 138.1 | 144.8 | -58.6 | 176.4 | 0 | 0 | 0 | 119.9 | ||||
| 30 | R | 29.9 | Very low | 29.8 | Very low | 212 Ų | 212 | 128 Ų | 128 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | cis | -166.8 | 128.1 | 23.8 | -99.7 | 150.5 | 178.5 | -168.8 | 1.1 | 104.9 | ||||
| 31 | S | 27.6 | Very low | 30.1 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | 53.7 | 120.5 | 82.8 | -58.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 32 | S | 26.6 | Very low | 30.2 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | 133.2 | 91.7 | 134.1 | 63.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 33 | S | 28.9 | Very low | 30.3 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | 119.8 | 130.5 | 121.9 | -153.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 34 | L | 28.9 | Very low | 30.5 | Very low | 160 Ų | 160 | 128.2 Ų | 128.2 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -75.3 | 153.6 | 171.4 | -64.9 | 140.5 | 0 | 0 | 0 | 112.1 | ||||
| 35 | R | 32.8 | Very low | 30.6 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | 177.6 | 165.9 | 115.4 | -99.6 | -146.3 | 170.7 | -158.2 | -0.1 | 113.5 | |||||
| 36 | P | 36.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -126.9 | 176.6 | -138.2 | 43.9 | -30.5 | 0 | 0 | 0 | 115.9 | ||||
| 37 | G | 27 | Very low | 30.2 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 125.8 | 120.1 | 142 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 38 | V | 30 | Very low | 30.2 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -158.2 | 139.1 | 130.8 | 174.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 39 | T | 29 | Very low | 30.2 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | trans | -97.3 | 133.9 | -169.5 | 36.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 40 | V | 30.3 | Very low | 30.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | trans | 41.2 | 151 | 143.7 | -116.8 | 0 | 0 | 0 | 0 | 122.6 | V42 | V40-V42 HydrophobicContact CG1-CG2 3.95Š| ||
| 41 | P | 32 | Very low | 30.1 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | -135 | 163.1 | 64 | 27.5 | -4.7 | 0 | 0 | 0 | 117.6 | |||||
| 42 | V | 28.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 130.2 | -178.1 | 159.4 | 0 | 0 | 0 | 0 | 110.3 | V40 | V40-V42 HydrophobicContact CG1-CG2 3.95Š| ||
| 43 | A | 27.2 | Very low | 30.3 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | 143.4 | 165.7 | 96 | 0 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 44 | P | 33.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | cis | -131.3 | 171.5 | 15.6 | 34.1 | -12.4 | 0 | 0 | 0 | 116.9 | ||||
| 45 | L | 32.1 | Very low | 30.5 | Very low | 171 Ų | 171 | 127.9 Ų | 127.9 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -54.8 | 135.2 | 179.5 | -64.8 | 148.2 | 0 | 0 | 0 | 115.1 | ||||
| 46 | L | 31.6 | Very low | 30.5 | Very low | 171 Ų | 171 | 121.8 Ų | 121.8 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -150.4 | 150.3 | 154.4 | -95.6 | 158.7 | 0 | 0 | 0 | 108.9 | ||||
| 47 | P | 31.9 | Very low | 30.1 | Very low | 112 Ų | 112 | 119 Ų | 119 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 148.3 | -150.1 | 30.8 | -35.7 | 0 | 0 | 0 | 114.9 | ||
| 48 | S | 30.1 | Very low | 30.5 | Very low | 116 Ų | 116 | 118.8 Ų | 118.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 132.5 | 171.7 | -50.3 | 0 | 0 | 0 | 0 | 112.4 | ||
| 49 | P | 30.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 115 Ų | 115 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 132.6 | 155.2 | 29.4 | -23.8 | 0 | 0 | 0 | 108.6 | ||
| 50 | A | 30.1 | Very low | 30.7 | Very low | 87 Ų | 87 | 112.8 Ų | 112.8 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 142.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L52 | A50-L52 PolarHBondContact O-N 2.68Š|
| 51 | S | 26.9 | Very low | 31 | Very low | 108 Ų | 108 | 109 Ų | 109 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -29.1 | 112.6 | 161.4 | 21.6 | 0 | 0 | 0 | 0 | 112.5 | S53 | S51-S53 PolarHBondContact O-N 3.23Š| ||
| 52 | L | 27.5 | Very low | 31 | Very low | 176 Ų | 176 | 104.1 Ų | 104.1 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | trans | -59.3 | 91.1 | 162.1 | -70.4 | 166.9 | 0 | 0 | 0 | 107.7 | A50 A54 | A50-L52 PolarHBondContact O-N 2.68Å; L52-A54 PolarHBondContact O-N 2.95Å; L52-A54 VanDerWaalsContact O-N 3.16Å | ||
| 53 | S | 30.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 74% | 0.741 | 68% | 0.677 | S | S | * | * | trans | -61.5 | 115.2 | 161.9 | -68.5 | 0 | 0 | 0 | 0 | 106.1 | S51 S55 | S51-S53 PolarHBondContact O-N 3.23Å; S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.09Å | ||
| 54 | A | 31.4 | Very low | 31.6 | Very low | 102 Ų | 102 | 100.2 Ų | 100.2 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | trans | -55 | 98.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | L52 S56 | L52-A54 PolarHBondContact O-N 2.95Å; L52-A54 VanDerWaalsContact O-N 3.16Å; A54-S56 PolarHBondContact O-N 3.4Å | ||
| 55 | S | 30.6 | Very low | 31.7 | Very low | 114 Ų | 114 | 96.6 Ų | 96.6 | 80% | 0.797 | 63% | 0.633 | S | S | * | * | trans | -74.2 | 109.3 | 169.3 | 55.1 | 0 | 0 | 0 | 0 | 106.9 | S53 G57 | S53-S55 VanDerWaalsContact C-N 3.33Å; S53-S55 PolarHBondContact O-N 3.09Å; S55-G57 PolarHBondContact O-N 3.18Å | ||
| 56 | S | 32.1 | Very low | 32 | Very low | 116 Ų | 116 | 92.3 Ų | 92.3 | 81% | 0.811 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -47 | 134.1 | 169.6 | 28.1 | 0 | 0 | 0 | 0 | 109.8 | A54 | A54-S56 PolarHBondContact O-N 3.4Š|
| 57 | G | 29.4 | Very low | 32.1 | Very low | 57 Ų | 57 | 86.7 Ų | 86.7 | 59% | 0.588 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 168.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S55 | S55-G57 PolarHBondContact O-N 3.18Š|
| 58 | P | 34.4 | Very low | 32.4 | Very low | 66 Ų | 66 | 85.5 Ų | 85.5 | 43% | 0.429 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 133.3 | -179.8 | 26.9 | -32.6 | 0 | 0 | 0 | 110.8 | R267 | P58-R267 VanDerWaalsContact CG-NH1 3.28Š|
| 59 | P | 33.9 | Very low | 32.5 | Very low | 72 Ų | 72 | 83 Ų | 83 | 47% | 0.468 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 146.3 | 164.7 | 27.5 | -32 | 0 | 0 | 0 | 109.1 | F215 | P59-F215 HydrophobicContact CB-CD1 3.95Å; P59-F215 HydrophobicContact CB-CE1 3.79Å; P59-F215 HydrophobicContact CB-CZ 4.43Å |
| 60 | P | 31.1 | Very low | 32.9 | Very low | 76 Ų | 76 | 78.3 Ų | 78.3 | 49% | 0.494 | 51% | 0.514 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 153.6 | 173.2 | 26.3 | -34 | 0 | 0 | 0 | 110.3 | F215 | P60-F215 HydrophobicContact CG-CE1 4.34Š|
| 61 | P | 34.9 | Very low | 33.1 | Very low | 39 Ų | 39 | 78.8 Ų | 78.8 | 25% | 0.253 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 144.5 | 167 | 26.5 | -33.4 | 0 | 0 | 0 | 107.8 | H258 | P61-H258 WeakPolarHBondContact CD-CE1 3.5Å; P61-H258 WeakPolarHBondContact CD-ND1 3.36Å; P61-H258 HydrophobicContact CG-CB 3.94Å; P61-H258 WeakPolarHBondContact CG-ND1 3.34Å |
| 62 | P | 33.3 | Very low | 33.2 | Very low | 29 Ų | 29 | 77.4 Ų | 77.4 | 19% | 0.188 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 139.8 | 178.1 | 22.2 | -31.4 | 0 | 0 | 0 | 108.7 | F232 M251 | P62-F232 HydrophobicContact CG-CD2 3.89Å; P62-F232 HydrophobicContact CG-CE2 3.98Å; P62-F232 HydrophobicContact CG-CG 4.26Å; P62-F232 HydrophobicContact CG-CZ 4.41Å; P62-M251 HydrophobicContact CG-CE 4.42Å |
| 63 | P | 30.8 | Very low | 33.3 | Very low | 84 Ų | 84 | 72 Ų | 72 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 147.1 | 175.9 | 22.2 | -31.8 | 0 | 0 | 0 | 108.7 | L65 | P63-L65 PolarHBondContact O-N 3.35Š|
| 64 | P | 36.7 | Very low | 33.2 | Very low | 53 Ų | 53 | 73.5 Ų | 73.5 | 34% | 0.344 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -47.1 | 125.3 | 175.9 | 19.7 | -30.6 | 0 | 0 | 0 | 107.1 | Q66 | P64-Q66 VanDerWaalsContact C-N 3.25Å; P64-Q66 WeakPolarHBondContact O-CA 3.19Å; P64-Q66 VanDerWaalsContact O-CG 3.24Å; P64-Q66 WeakPolarHBondContact O-CG 3.45Å; P64-Q66 PolarHBondContact O-N 3.32Å |
| 65 | L | 37.3 | Very low | 33 | Very low | 48 Ų | 48 | 72.4 Ų | 72.4 | 25% | 0.251 | 49% | 0.491 | S | S | . | . | trans | -45.3 | 97.6 | -175.2 | -80.1 | 168.1 | 0 | 0 | 0 | 107.7 | P63 L67 F203 M244 | P63-L65 PolarHBondContact O-N 3.35Å; L65-L67 PolarHBondContact O-N 3.1Å; L65-F203 HydrophobicContact CD1-CE1 4.41Å; L65-F203 HydrophobicContact CD1-CZ 3.89Å; L65-M244 HydrophobicContact CD1-CE 3.8Å; L65-M244 HydrophobicContact CD1-SD 3.64Å | ||
| 66 | Q | 37.5 | Very low | 32.8 | Very low | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 50% | 0.499 | S | S | . | . | trans | -69.2 | 137.3 | -170.9 | -70.1 | -174.7 | -21.1 | 0 | 0 | 104.3 | P64 H68 S69 | P64-Q66 VanDerWaalsContact C-N 3.25Å; P64-Q66 WeakPolarHBondContact O-CA 3.19Å; P64-Q66 VanDerWaalsContact O-CG 3.24Å; P64-Q66 WeakPolarHBondContact O-CG 3.45Å; P64-Q66 PolarHBondContact O-N 3.32Å; Q66-H68 HydrophobicContact CB-CB 4.11Å; Q66-H68 PolarHBondContact O-N 3.49Å; Q66-H68 PolarHBondContact OE1-CE1 3.27Å; Q66-H68 PolarHBondContact OE1-ND1 3.25Å; Q66-S69 PolarHBondContact O-N 3.05Å | ||
| 67 | L | 34 | Very low | 32.4 | Very low | 53 Ų | 53 | 70.2 Ų | 70.2 | 28% | 0.277 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | -21.8 | 175.6 | -151.2 | 72.6 | 0 | 0 | 0 | 112.1 | L65 S69 L70 Y71 | L65-L67 PolarHBondContact O-N 3.1Å; L67-S69 PolarHBondContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; L67-Y71 HydrophobicContact CD2-CD2 4.47Å; L67-Y71 HydrophobicContact CD2-CE2 3.6Å; L67-Y71 HydrophobicContact CG-CD2 4.15Å; L67-Y71 HydrophobicContact CG-CE2 3.67Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 3.47Å |
| 68 | H | 37.5 | Very low | 32.2 | Very low | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.407 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -49.5 | -47.7 | 170.8 | -52.7 | 153.1 | 0 | 0 | 0 | 114.8 | Q66 L70 | Q66-H68 HydrophobicContact CB-CB 4.11Å; Q66-H68 PolarHBondContact O-N 3.49Å; Q66-H68 PolarHBondContact OE1-CE1 3.27Å; Q66-H68 PolarHBondContact OE1-ND1 3.25Å; H68-L70 PolarHBondContact O-N 2.85Å |
| 69 | S | 32.2 | Very low | 31.6 | Very low | 63 Ų | 63 | 76.7 Ų | 76.7 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70 | -14.3 | 178.7 | -73.4 | 0 | 0 | 0 | 0 | 112.7 | Q66 L67 E210 | Q66-S69 PolarHBondContact O-N 3.05Å; L67-S69 PolarHBondContact O-N 3.15Å; S69-E210 PolarHBondContact OG-OE2 2.97Å |
| 70 | L | 39.4 | Very low | 31.4 | Very low | 26 Ų | 26 | 80 Ų | 80 | 14% | 0.136 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -99 | -10.1 | -173.6 | -67.2 | 170.8 | 0 | 0 | 0 | 113.9 | L67 H68 R197 F203 | L67-L70 PolarHBondContact O-N 3.34Å; L67-L70 VanDerWaalsContact O-N 3.08Å; H68-L70 PolarHBondContact O-N 2.85Å; L70-R197 PolarHBondContact O-NH1 3.01Å; L70-R197 PolarHBondContact O-NH2 3.34Å; L70-F203 HydrophobicContact CD2-CE2 3.97Å |
| 71 | Y | 34.8 | Very low | 31 | Very low | 98 Ų | 98 | 79.8 Ų | 79.8 | 38% | 0.384 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -91.5 | -17.6 | 176.2 | -87.5 | -79 | 0 | 0 | 0 | 114.2 | L67 G73 | L67-Y71 HydrophobicContact CD2-CD2 4.47Å; L67-Y71 HydrophobicContact CD2-CE2 3.6Å; L67-Y71 HydrophobicContact CG-CD2 4.15Å; L67-Y71 HydrophobicContact CG-CE2 3.67Å; L67-Y71 WeakPolarHBondContact O-CD2 3.1Å; L67-Y71 PolarHBondContact O-N 3.47Å; Y71-G73 PolarHBondContact O-N 2.97Å |
| 72 | G | 28 | Very low | 30.6 | Very low | 79 Ų | 79 | 83.1 Ų | 83.1 | 81% | 0.814 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -79 | 4.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 73 | G | 28.9 | Very low | 30.5 | Very low | 63 Ų | 63 | 85.8 Ų | 85.8 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | trans | -122.9 | 56.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y71 | Y71-G73 PolarHBondContact O-N 2.97Š| ||
| 74 | V | 28.4 | Very low | 30.2 | Very low | 137 Ų | 137 | 84.9 Ų | 84.9 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -148.2 | 104.6 | 163.5 | -110.1 | 0 | 0 | 0 | 0 | 111 | ||
| 75 | G | 26.8 | Very low | 30 | Very low | 79 Ų | 79 | 91.9 Ų | 91.9 | 81% | 0.814 | 66% | 0.657 | S | S | * | * | trans | 74.3 | 76.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | G77 | G75-G77 PolarHBondContact O-N 3.01Š| ||
| 76 | A | 27.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 98% | 0.975 | 68% | 0.676 | S | S | * | * | trans | -73.9 | 104.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 77 | G | 23.5 | Very low | 29.4 | Very low | 66 Ų | 66 | 96.1 Ų | 96.1 | 68% | 0.68 | 69% | 0.689 | S | S | * | * | trans | -176.6 | 90.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | G75 | G75-G77 PolarHBondContact O-N 3.01Š| ||
| 78 | L | 25.2 | Very low | 29.7 | Very low | 187 Ų | 187 | 96 Ų | 96 | 98% | 0.979 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 84.6 | 102.2 | 156.4 | -55.4 | 169 | 0 | 0 | 0 | 119.3 | ||
| 79 | G | 22.8 | Very low | 29.9 | Very low | 72 Ų | 72 | 94.7 Ų | 94.7 | 74% | 0.742 | 70% | 0.701 | S | S | * | * | trans | 149.8 | 119.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 80 | P | 29.9 | Very low | 31.1 | Very low | 140 Ų | 140 | 95.6 Ų | 95.6 | 91% | 0.909 | 70% | 0.701 | S | S | * | * | trans | -89.8 | 122.4 | -178.4 | 33.7 | -27.5 | 0 | 0 | 0 | 110.9 | ||||
| 81 | G | 22.6 | Very low | 32.1 | Very low | 73 Ų | 73 | 98.3 Ų | 98.3 | 75% | 0.753 | 72% | 0.72 | S | S | * | * | trans | 168.5 | 112.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 82 | A | 25.6 | Very low | 33.7 | Very low | 109 Ų | 109 | 96.5 Ų | 96.5 | 90% | 0.901 | 73% | 0.726 | S | S | * | * | trans | 70 | 116.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 83 | G | 30.3 | Very low | 35.7 | Very low | 85 Ų | 85 | 94.9 Ų | 94.9 | 88% | 0.876 | 70% | 0.7 | S | S | * | * | trans | -68.1 | 157.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 84 | G | 26 | Very low | 37.5 | Very low | 65 Ų | 65 | 92.7 Ų | 92.7 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | trans | 169.8 | 83.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | C86 | G84-C86 PolarHBondContact O-N 2.86Š| ||
| 85 | H | 31.2 | Very low | 39.4 | Very low | 200 Ų | 200 | 90.5 Ų | 90.5 | 93% | 0.926 | 65% | 0.653 | S | S | * | * | trans | -62 | 100.1 | 169.1 | -77 | 73.4 | 0 | 0 | 0 | 107.8 | N87 | H85-N87 PolarHBondContact O-N 3.5Å; H85-N87 VanDerWaalsContact O-N 3.16Å | ||
| 86 | C | 31.6 | Very low | 41.6 | Very low | 97 Ų | 97 | 92.9 Ų | 92.9 | 66% | 0.655 | 64% | 0.642 | S | S | * | * | trans | -77.5 | 101.5 | 177.9 | 45.9 | 0 | 0 | 0 | 0 | 109.2 | G84 P88 V93 | G84-C86 PolarHBondContact O-N 2.86Å; C86-P88 WeakPolarHBondContact O-CD 3.39Å; C86-V93 HydrophobicContact CB-CG1 4.46Å; C86-V93 HydrophobicContact CB-CG2 4.41Å | ||
| 87 | N | 32.3 | Very low | 43.6 | Very low | 120 Ų | 120 | 88.6 Ų | 88.6 | 64% | 0.642 | 61% | 0.607 | S | S | * | * | trans | -73 | 117 | 169.6 | -165.2 | -5.1 | 0 | 0 | 0 | 108.7 | H85 G89 N90 | H85-N87 PolarHBondContact O-N 3.5Å; H85-N87 VanDerWaalsContact O-N 3.16Å; N87-G89 PolarHBondContact O-N 2.64Å; N87-G89 VanDerWaalsContact O-N 3.17Å; N87-N90 WeakPolarHBondContact O-CB 3.3Å; N87-N90 PolarHBondContact O-N 2.81Å; N87-N90 VanDerWaalsContact O-N 3.16Å | ||
| 88 | P | 39.1 | Very low | 45.7 | Very low | 52 Ų | 52 | 85.5 Ų | 85.5 | 34% | 0.338 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -6.4 | -176.3 | 27.2 | -33.5 | 0 | 0 | 0 | 113.9 | C86 N90 | C86-P88 WeakPolarHBondContact O-CD 3.39Å; P88-N90 PolarHBondContact O-N 2.6Å |
| 89 | G | 42.2 | Very low | 48 | Very low | 59 Ų | 59 | 80 Ų | 80 | 61% | 0.608 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -2.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N87 P91 | N87-G89 PolarHBondContact O-N 2.64Å; N87-G89 VanDerWaalsContact O-N 3.17Å; G89-P91 WeakPolarHBondContact O-CD 3.42Å |
| 90 | N | 57 | Low | 50.3 | Low | 83 Ų | 83 | 78.8 Ų | 78.8 | 44% | 0.444 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -86.4 | 117.3 | 176.3 | -171.1 | -19.1 | 0 | 0 | 0 | 110.6 | N87 P88 A92 V93 L94 | N87-N90 WeakPolarHBondContact O-CB 3.3Å; N87-N90 PolarHBondContact O-N 2.81Å; N87-N90 VanDerWaalsContact O-N 3.16Å; P88-N90 PolarHBondContact O-N 2.6Å; N90-A92 PolarHBondContact O-N 2.81Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 2.75Å; N90-A92 VanDerWaalsContact OD1-N 3.09Å; N90-V93 HydrophobicContact CB-CG2 4.03Å; N90-V93 PolarHBondContact O-N 3.37Å; N90-L94 PolarHBondContact O-N 3.19Å |
| 91 | P | 59.6 | Low | 52.2 | Low | 82 Ų | 82 | 73.9 Ų | 73.9 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.2 | -26.6 | 178.7 | -26.3 | 34.3 | 0 | 0 | 0 | 114.2 | G89 K95 | G89-P91 WeakPolarHBondContact O-CD 3.42Å; P91-K95 WeakPolarHBondContact O-CB 3.47Å; P91-K95 PolarHBondContact O-N 3.4Å; P91-K95 VanDerWaalsContact O-N 3.12Å |
| 92 | A | 68.9 | Low | 54.4 | Low | 60 Ų | 60 | 71.3 Ų | 71.3 | 50% | 0.496 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | N90 K95 E96 | N90-A92 PolarHBondContact O-N 2.81Å; N90-A92 WeakPolarHBondContact OD1-CB 3.46Å; N90-A92 PolarHBondContact OD1-N 2.75Å; N90-A92 VanDerWaalsContact OD1-N 3.09Å; A92-K95 PolarHBondContact O-N 2.92Å; A92-E96 PolarHBondContact O-N 3.24Å |
| 93 | V | 70 | Confident | 56.5 | Low | 45 Ų | 45 | 73.1 Ų | 73.1 | 27% | 0.273 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.6 | -42.3 | -179.6 | 177 | 0 | 0 | 0 | 0 | 110.3 | C86 N90 K95 E96 A97 | C86-V93 HydrophobicContact CB-CG1 4.46Å; C86-V93 HydrophobicContact CB-CG2 4.41Å; N90-V93 HydrophobicContact CB-CG2 4.03Å; N90-V93 PolarHBondContact O-N 3.37Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.06Å; V93-E96 PolarHBondContact O-N 3.22Å; V93-A97 WeakPolarHBondContact O-CB 3.47Å; V93-A97 PolarHBondContact O-N 3.21Å |
| 94 | L | 67.4 | Low | 58.3 | Low | 17 Ų | 17 | 73 Ų | 73 | 9% | 0.089 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.3 | 179.4 | 64.7 | 0 | 0 | 0 | 110.7 | N90 E96 A97 V98 F168 I184 M187 | N90-L94 PolarHBondContact O-N 3.19Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.32Å; L94-A97 PolarHBondContact O-N 3.4Å; L94-V98 HydrophobicContact CD1-CG2 4.11Å; L94-V98 HydrophobicContact CG-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CB 3.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.06Å; L94-V98 PolarHBondContact O-N 3.36Å; L94-F168 HydrophobicContact CD2-CD2 3.78Å; L94-F168 HydrophobicContact CD2-CE2 4.17Å; L94-F168 HydrophobicContact CD2-CG 4.2Å; L94-F168 HydrophobicContact CG-CE2 4.42Å; L94-I184 HydrophobicContact CD1-CD1 4.25Å; L94-I184 HydrophobicContact CD2-CD1 4.18Å; L94-I184 HydrophobicContact CG-CD1 4.19Å; L94-M187 HydrophobicContact CD1-CE 4.21Å |
| 95 | K | 68.8 | Low | 60.2 | Low | 92 Ų | 92 | 71.2 Ų | 71.2 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.4 | -44.8 | 177.7 | -175.6 | -178 | 175.5 | -171.9 | 0 | 111.9 | P91 A92 V93 E99 F168 | P91-K95 WeakPolarHBondContact O-CB 3.47Å; P91-K95 PolarHBondContact O-N 3.4Å; P91-K95 VanDerWaalsContact O-N 3.12Å; A92-K95 PolarHBondContact O-N 2.92Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.06Å; K95-E99 VanDerWaalsContact CE-OE1 3.26Å; K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 WeakPolarHBondContact O-CB 3.48Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.4Å; K95-E99 PolarHBondContact O-N 2.86Å; K95-F168 HydrophobicContact CB-CE2 4.38Å |
| 96 | E | 72.9 | Confident | 61.7 | Low | 129 Ų | 129 | 62.4 Ų | 62.4 | 60% | 0.603 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.9 | -46.9 | 179.4 | -173.8 | -179.7 | 178.2 | 0 | 0 | 112.5 | A92 V93 L94 V98 E99 A100 | A92-E96 PolarHBondContact O-N 3.24Å; V93-E96 PolarHBondContact O-N 3.22Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.32Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 2.91Å; E96-E99 PolarHBondContact O-N 3.39Å; E96-A100 PolarHBondContact O-N 3.45Å |
| 97 | A | 68.9 | Low | 63.1 | Low | 27 Ų | 27 | 65.3 Ų | 65.3 | 22% | 0.223 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V93 L94 A100 V101 | V93-A97 WeakPolarHBondContact O-CB 3.47Å; V93-A97 PolarHBondContact O-N 3.21Å; L94-A97 PolarHBondContact O-N 3.4Å; A97-A100 PolarHBondContact O-N 3.38Å; A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 3.1Å |
| 98 | V | 66.9 | Low | 64.2 | Low | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L94 E96 A100 V101 V102 K183 I184 M187 | L94-V98 HydrophobicContact CD1-CG2 4.11Å; L94-V98 HydrophobicContact CG-CG2 4.32Å; L94-V98 WeakPolarHBondContact O-CB 3.47Å; L94-V98 WeakPolarHBondContact O-CG2 3.06Å; L94-V98 PolarHBondContact O-N 3.36Å; E96-V98 VanDerWaalsContact C-N 3.31Å; E96-V98 PolarHBondContact O-N 2.91Å; V98-A100 VanDerWaalsContact C-N 3.31Å; V98-A100 PolarHBondContact O-N 2.81Å; V98-V101 PolarHBondContact O-N 3.48Å; V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 2.73Å; V98-K183 HydrophobicContact CG1-CB 3.64Å; V98-K183 HydrophobicContact CG1-CD 4.4Å; V98-K183 HydrophobicContact CG1-CG 4.32Å; V98-I184 HydrophobicContact CG1-CD1 4.42Å; V98-I184 HydrophobicContact CG2-CD1 3.43Å; V98-I184 VanDerWaalsContact CG2-CD1 3.43Å; V98-M187 HydrophobicContact CB-SD 4.05Å; V98-M187 HydrophobicContact CG2-CE 3.66Å; V98-M187 HydrophobicContact CG2-SD 3.36Å; V98-M187 WeakPolarHBondContact CG2-SD 3.5Å |
| 99 | E | 73.4 | Confident | 65 | Low | 72 Ų | 72 | 68.6 Ų | 68.6 | 34% | 0.336 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.7 | -32.2 | 177.6 | -74.9 | 178.1 | -176.7 | 0 | 0 | 112.7 | K95 E96 R103 | K95-E99 VanDerWaalsContact CE-OE1 3.26Å; K95-E99 WeakPolarHBondContact CE-OE1 3.46Å; K95-E99 WeakPolarHBondContact O-CB 3.48Å; K95-E99 VanDerWaalsContact O-CG 3.31Å; K95-E99 WeakPolarHBondContact O-CG 3.4Å; K95-E99 PolarHBondContact O-N 2.86Å; E96-E99 PolarHBondContact O-N 3.39Å; E99-R103 WeakPolarHBondContact O-CB 3.38Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.43Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 VanDerWaalsContact O-N 3.1Å; E99-R103 PolarHBondContact O-NE 2.95Å; E99-R103 VanDerWaalsContact O-NE 3.1Å |
| 100 | A | 72.6 | Confident | 65.3 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 38% | 0.38 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E96 A97 V98 R103 S104 | E96-A100 PolarHBondContact O-N 3.45Å; A97-A100 PolarHBondContact O-N 3.38Å; V98-A100 VanDerWaalsContact C-N 3.31Å; V98-A100 PolarHBondContact O-N 2.81Å; A100-R103 PolarHBondContact O-N 3.5Å; A100-S104 PolarHBondContact O-N 3.43Å |
| 101 | V | 68.6 | Low | 64.9 | Low | 37 Ų | 37 | 71.1 Ų | 71.1 | 22% | 0.224 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65 | -44.6 | 178.8 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | A97 V98 R103 S104 F105 M187 V190 | A97-V101 WeakPolarHBondContact O-CG2 3.35Å; A97-V101 PolarHBondContact O-N 3.1Å; V98-V101 PolarHBondContact O-N 3.48Å; V101-R103 VanDerWaalsContact C-N 3.33Å; V101-R103 PolarHBondContact O-N 2.93Å; V101-S104 WeakPolarHBondContact O-CB 3.43Å; V101-S104 PolarHBondContact O-N 2.86Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V101-F105 PolarHBondContact O-N 2.95Å; V101-M187 HydrophobicContact CB-CG 3.98Å; V101-M187 HydrophobicContact CG1-CB 4.37Å; V101-M187 HydrophobicContact CG1-CG 4.04Å; V101-M187 HydrophobicContact CG2-CG 3.95Å; V101-M187 HydrophobicContact CG2-SD 4.43Å; V101-V190 HydrophobicContact CG1-CB 4.44Å; V101-V190 HydrophobicContact CG1-CG1 4.4Å |
| 102 | V | 68.9 | Low | 63.9 | Low | 19 Ų | 19 | 78.2 Ų | 78.2 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | V98 S104 F105 A106 V117 L186 | V98-V102 VanDerWaalsContact O-CG2 3.3Å; V98-V102 WeakPolarHBondContact O-CG2 3.37Å; V98-V102 PolarHBondContact O-N 2.73Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.14Å; V102-F105 PolarHBondContact O-N 3.09Å; V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.99Å; V102-V117 HydrophobicContact CG1-CG1 3.81Å; V102-V117 HydrophobicContact CG2-CG1 4.31Å; V102-L186 HydrophobicContact CG2-CD2 4.35Å |
| 103 | R | 68.9 | Low | 63 | Low | 148 Ų | 148 | 77.9 Ų | 77.9 | 56% | 0.558 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64 | -35.5 | 176.1 | -78.4 | -178 | -71.1 | 173.2 | -3 | 112.8 | E99 A100 V101 A106 K107 | E99-R103 WeakPolarHBondContact O-CB 3.38Å; E99-R103 VanDerWaalsContact O-CG 3.23Å; E99-R103 WeakPolarHBondContact O-CG 3.43Å; E99-R103 PolarHBondContact O-N 3.37Å; E99-R103 VanDerWaalsContact O-N 3.1Å; E99-R103 PolarHBondContact O-NE 2.95Å; E99-R103 VanDerWaalsContact O-NE 3.1Å; A100-R103 PolarHBondContact O-N 3.5Å; V101-R103 VanDerWaalsContact C-N 3.33Å; V101-R103 PolarHBondContact O-N 2.93Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.98Å |
| 104 | S | 68.4 | Low | 62.4 | Low | 82 Ų | 82 | 88.1 Ų | 88.1 | 57% | 0.573 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -68 | -46.6 | 176.2 | -170 | 0 | 0 | 0 | 0 | 111.5 | A100 V101 V102 A106 K107 H108 | A100-S104 PolarHBondContact O-N 3.43Å; V101-S104 WeakPolarHBondContact O-CB 3.43Å; V101-S104 PolarHBondContact O-N 2.86Å; V101-S104 VanDerWaalsContact O-N 3.15Å; V102-S104 VanDerWaalsContact C-N 3.32Å; V102-S104 PolarHBondContact O-N 3.14Å; S104-A106 PolarHBondContact O-N 3.3Å; S104-K107 PolarHBondContact O-N 3.42Å; S104-H108 PolarHBondContact O-N 2.69Å |
| 105 | F | 65.6 | Low | 62.3 | Low | 28 Ų | 28 | 89.3 Ų | 89.3 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 177 | -175 | -97.7 | 0 | 0 | 0 | 112 | V101 V102 K107 H108 T109 A120 F124 V190 | V101-F105 PolarHBondContact O-N 2.95Å; V102-F105 PolarHBondContact O-N 3.09Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.43Å; F105-H108 PolarHBondContact O-N 3.31Å; F105-T109 WeakPolarHBondContact CD1-OG1 3.41Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 WeakPolarHBondContact CE1-OG1 3.36Å; F105-T109 HydrophobicContact CE2-CG2 4.06Å; F105-T109 HydrophobicContact CZ-CG2 3.69Å; F105-T109 PolarHBondContact O-N 3.42Å; F105-T109 VanDerWaalsContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.82Å; F105-A120 HydrophobicContact CD1-CB 4.42Å; F105-A120 HydrophobicContact CE1-CB 4.04Å; F105-F124 HydrophobicContact CE2-CD2 4Å; F105-F124 HydrophobicContact CZ-CB 4.45Å; F105-F124 HydrophobicContact CZ-CD2 4.35Å; F105-V190 HydrophobicContact CD2-CG2 3.79Å; F105-V190 HydrophobicContact CE2-CG2 4.15Å; F105-V190 HydrophobicContact CG-CG2 4.4Å |
| 106 | A | 62.9 | Low | 63.1 | Low | 15 Ų | 15 | 88.1 Ų | 88.1 | 12% | 0.124 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -49.3 | -51.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V102 R103 S104 H108 T109 Q110 V115 | V102-A106 WeakPolarHBondContact O-CB 3.48Å; V102-A106 PolarHBondContact O-N 2.99Å; R103-A106 WeakPolarHBondContact O-CB 3.4Å; S104-A106 PolarHBondContact O-N 3.3Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.17Å; A106-T109 PolarHBondContact O-N 2.76Å; A106-Q110 CarbonylContact O-C 3.48Å; A106-Q110 PolarHBondContact O-N 3.34Å; A106-V115 HydrophobicContact CB-CB 4.36Å; A106-V115 HydrophobicContact CB-CG2 3.21Å |
| 107 | K | 61.2 | Low | 63.9 | Low | 158 Ų | 158 | 82.4 Ų | 82.4 | 69% | 0.687 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.4 | -29.4 | -179.5 | -71.7 | 175.6 | 179.6 | -175.2 | 0 | 113.2 | R103 S104 F105 | R103-K107 WeakPolarHBondContact O-CG 3.23Å; R103-K107 PolarHBondContact O-N 2.98Å; S104-K107 PolarHBondContact O-N 3.42Å; F105-K107 VanDerWaalsContact C-N 3.31Å; F105-K107 PolarHBondContact O-N 3.43Å |
| 108 | H | 56 | Low | 65 | Low | 172 Ų | 172 | 82.1 Ų | 82.1 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -90.8 | -19.2 | -175.2 | -154.4 | -64.4 | 0 | 0 | 0 | 113.6 | S104 F105 A106 | S104-H108 PolarHBondContact O-N 2.69Å; F105-H108 PolarHBondContact O-N 3.31Å; A106-H108 PolarHBondContact O-N 3.07Å; A106-H108 VanDerWaalsContact O-N 3.17Å |
| 109 | T | 55.3 | Low | 66.1 | Low | 68 Ų | 68 | 87.4 Ų | 87.4 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -115.2 | -31.9 | -174.7 | 38.8 | 0 | 0 | 0 | 0 | 114 | F105 A106 | F105-T109 WeakPolarHBondContact CD1-OG1 3.41Å; F105-T109 HydrophobicContact CE1-CG2 4.01Å; F105-T109 WeakPolarHBondContact CE1-OG1 3.36Å; F105-T109 HydrophobicContact CE2-CG2 4.06Å; F105-T109 HydrophobicContact CZ-CG2 3.69Å; F105-T109 PolarHBondContact O-N 3.42Å; F105-T109 VanDerWaalsContact O-N 3.14Å; F105-T109 PolarHBondContact O-OG1 2.82Å; A106-T109 PolarHBondContact O-N 2.76Å |
| 110 | Q | 49.8 | Very low | 66.9 | Low | 120 Ų | 120 | 84.1 Ų | 84.1 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -148.2 | 125.3 | 175.4 | -69.4 | -167.1 | -5.1 | 0 | 0 | 111.9 | A106 Y112 | A106-Q110 CarbonylContact O-C 3.48Å; A106-Q110 PolarHBondContact O-N 3.34Å; Q110-Y112 PolarHBondContact O-N 3.36Å |
| 111 | G | 47.3 | Very low | 67.9 | Low | 75 Ų | 75 | 82 Ų | 82 | 77% | 0.773 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -51 | 133.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G113 | G111-G113 PolarHBondContact O-N 3.01Å; G111-G113 VanDerWaalsContact O-N 3.11Å |
| 112 | Y | 38.5 | Very low | 69 | Low | 231 Ų | 231 | 83 Ų | 83 | 91% | 0.906 | 42% | 0.419 | S | S | * | . | S | Bend | trans | 10.9 | 80 | 172 | -88.5 | -93.3 | 0 | 0 | 0 | 116.8 | Q110 | Q110-Y112 PolarHBondContact O-N 3.36Š|
| 113 | G | 50.7 | Low | 70 | Confident | 54 Ų | 54 | 86.8 Ų | 86.8 | 56% | 0.557 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -142.7 | 160.2 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112 | G111 V115 | G111-G113 PolarHBondContact O-N 3.01Å; G111-G113 VanDerWaalsContact O-N 3.11Å; G113-V115 PolarHBondContact O-N 3.43Å |
| 114 | R | 57.1 | Low | 71 | Confident | 259 Ų | 259 | 80.3 Ų | 80.3 | 98% | 0.977 | 41% | 0.411 | S | S | * | . | trans | -66.6 | 100.2 | 170.5 | -90.3 | -173.5 | 179.5 | 176.7 | 1.3 | 108.4 | N116 | R114-N116 PolarHBondContact O-N 3.39Š| ||
| 115 | V | 65.1 | Low | 72.1 | Confident | 42 Ų | 42 | 76.8 Ų | 76.8 | 26% | 0.255 | 39% | 0.385 | S | S | . | . | trans | -61.1 | 122.8 | 180 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | A106 G113 V117 A120 | A106-V115 HydrophobicContact CB-CB 4.36Å; A106-V115 HydrophobicContact CB-CG2 3.21Å; G113-V115 PolarHBondContact O-N 3.43Å; V115-V117 PolarHBondContact O-N 3.36Å; V115-V117 VanDerWaalsContact O-N 3.12Å; V115-A120 HydrophobicContact CG1-CB 3.69Å | ||
| 116 | N | 86.4 | Confident | 73.3 | Confident | 67 Ų | 67 | 79.8 Ų | 79.8 | 36% | 0.358 | 40% | 0.4 | S | S | . | . | trans | -74 | 97.7 | 166.3 | -174.8 | -10.5 | 0 | 0 | 0 | 108.7 | R114 V118 E119 A120 | R114-N116 PolarHBondContact O-N 3.39Å; N116-V118 PolarHBondContact O-N 3.48Å; N116-V118 VanDerWaalsContact O-N 3.11Å; N116-V118 PolarHBondContact OD1-N 3.21Å; N116-E119 HydrophobicContact CB-CB 4.13Å; N116-E119 HydrophobicContact CB-CG 4.3Å; N116-E119 VanDerWaalsContact CB-OE2 3.27Å; N116-E119 WeakPolarHBondContact CB-OE2 3.47Å; N116-E119 PolarHBondContact ND2-OE1 3.45Å; N116-E119 PolarHBondContact ND2-OE2 2.82Å; N116-E119 VanDerWaalsContact ND2-OE2 3.09Å; N116-E119 PolarHBondContact O-N 3.09Å; N116-E119 VanDerWaalsContact O-N 3.08Å; N116-A120 PolarHBondContact O-N 3.03Å | ||
| 117 | V | 88.9 | Confident | 74.4 | Confident | 9 Ų | 9 | 82.2 Ų | 82.2 | 6% | 0.055 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57 | -27.6 | -176.2 | -65.1 | 0 | 0 | 0 | 0 | 114.1 | V102 V115 L121 R179 A182 K183 | V102-V117 HydrophobicContact CG1-CG1 3.81Å; V102-V117 HydrophobicContact CG2-CG1 4.31Å; V115-V117 PolarHBondContact O-N 3.36Å; V115-V117 VanDerWaalsContact O-N 3.12Å; V117-L121 WeakPolarHBondContact O-CB 3.36Å; V117-L121 PolarHBondContact O-N 2.81Å; V117-L121 VanDerWaalsContact O-N 3.09Å; V117-R179 HydrophobicContact CG2-CB 4.19Å; V117-R179 HydrophobicContact CG2-CG 4.24Å; V117-A182 HydrophobicContact CG2-CB 4.19Å; V117-K183 HydrophobicContact CB-CG 4.28Å; V117-K183 HydrophobicContact CG1-CG 4.01Å; V117-K183 HydrophobicContact CG2-CG 4.1Å |
| 118 | V | 92 | Very high | 75.6 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 13% | 0.133 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -71.9 | -44.4 | 178.3 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | N116 Q122 Y143 R178 R179 A182 | N116-V118 PolarHBondContact O-N 3.48Å; N116-V118 VanDerWaalsContact O-N 3.11Å; N116-V118 PolarHBondContact OD1-N 3.21Å; V118-Q122 PolarHBondContact O-N 3.27Å; V118-Y143 HydrophobicContact CG1-CE2 4.24Å; V118-R178 HydrophobicContact CG2-CG 4.31Å; V118-R179 HydrophobicContact CG2-CG 4.19Å; V118-A182 HydrophobicContact CG2-CB 3.85Å |
| 119 | E | 90.6 | Very high | 77.1 | Confident | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -68.1 | -46.9 | 175.8 | -73.7 | 166.6 | -175.4 | 0 | 0 | 110.8 | N116 L121 Q122 E123 | N116-E119 HydrophobicContact CB-CB 4.13Å; N116-E119 HydrophobicContact CB-CG 4.3Å; N116-E119 VanDerWaalsContact CB-OE2 3.27Å; N116-E119 WeakPolarHBondContact CB-OE2 3.47Å; N116-E119 PolarHBondContact ND2-OE1 3.45Å; N116-E119 PolarHBondContact ND2-OE2 2.82Å; N116-E119 VanDerWaalsContact ND2-OE2 3.09Å; N116-E119 PolarHBondContact O-N 3.09Å; N116-E119 VanDerWaalsContact O-N 3.08Å; E119-L121 PolarHBondContact O-N 3.45Å; E119-Q122 PolarHBondContact O-N 2.97Å; E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 WeakPolarHBondContact O-CG 3.49Å; E119-E123 PolarHBondContact O-N 3Å |
| 120 | A | 90.3 | Very high | 78.7 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.033 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57 | -37.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F105 V115 N116 F124 L186 | F105-A120 HydrophobicContact CD1-CB 4.42Å; F105-A120 HydrophobicContact CE1-CB 4.04Å; V115-A120 HydrophobicContact CG1-CB 3.69Å; N116-A120 PolarHBondContact O-N 3.03Å; A120-F124 VanDerWaalsContact O-CB 3.28Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.17Å; A120-L186 HydrophobicContact CB-CD2 3.91Å |
| 121 | L | 92.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 173.8 | -179.8 | 57.8 | 0 | 0 | 0 | 112.1 | V117 E119 F124 W125 V141 V157 L159 A182 A185 L186 | V117-L121 WeakPolarHBondContact O-CB 3.36Å; V117-L121 PolarHBondContact O-N 2.81Å; V117-L121 VanDerWaalsContact O-N 3.09Å; E119-L121 PolarHBondContact O-N 3.45Å; L121-F124 PolarHBondContact O-N 2.97Å; L121-W125 VanDerWaalsContact O-CD1 3.32Å; L121-W125 PolarHBondContact O-N 3Å; L121-V141 HydrophobicContact CD2-CG1 3.92Å; L121-V141 HydrophobicContact CG-CG1 4.29Å; L121-V141 HydrophobicContact CG-CG2 4.23Å; L121-V157 HydrophobicContact CD2-CG2 4.22Å; L121-L159 HydrophobicContact CD1-CD2 4.05Å; L121-L159 HydrophobicContact CD2-CD2 4.16Å; L121-L159 HydrophobicContact CG-CD2 4.46Å; L121-A182 HydrophobicContact CD2-CB 4.26Å; L121-A185 HydrophobicContact CD2-CB 3.72Å; L121-L186 HydrophobicContact CB-CB 4.28Å; L121-L186 HydrophobicContact CB-CD1 4.43Å; L121-L186 HydrophobicContact CD1-CB 4.11Å; L121-L186 HydrophobicContact CD1-CD1 4.27Å |
| 122 | Q | 92.6 | Very high | 82.1 | Confident | 60 Ų | 60 | 76.4 Ų | 76.4 | 28% | 0.28 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 178.1 | -174 | 56.9 | 62.5 | 0 | 0 | 111.6 | V118 E119 F124 W125 Q126 A139 | V118-Q122 PolarHBondContact O-N 3.27Å; E119-Q122 PolarHBondContact O-N 2.97Å; Q122-F124 PolarHBondContact O-N 3.01Å; Q122-W125 PolarHBondContact O-N 3.41Å; Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 PolarHBondContact O-N 3.46Å; Q122-A139 PolarHBondContact NE2-O 3.29Å |
| 123 | E | 90.1 | Very high | 84.1 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 45% | 0.453 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.1 | -73.5 | 178.2 | 177.3 | 0 | 0 | 111.9 | E119 W125 Q126 M127 | E119-E123 WeakPolarHBondContact O-CB 3.44Å; E119-E123 WeakPolarHBondContact O-CG 3.49Å; E119-E123 PolarHBondContact O-N 3Å; E123-W125 PolarHBondContact O-N 3.5Å; E123-Q126 PolarHBondContact O-N 3.31Å; E123-M127 VanDerWaalsContact O-CB 3.31Å; E123-M127 WeakPolarHBondContact O-CB 3.34Å; E123-M127 PolarHBondContact O-N 3.41Å |
| 124 | F | 89.6 | Confident | 85.4 | Confident | 13 Ų | 13 | 71 Ų | 71 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -49.9 | 177.1 | 175 | -86 | 0 | 0 | 0 | 111.7 | F105 A120 L121 Q122 M127 K128 L186 S189 V190 E193 | F105-F124 HydrophobicContact CE2-CD2 4Å; F105-F124 HydrophobicContact CZ-CB 4.45Å; F105-F124 HydrophobicContact CZ-CD2 4.35Å; A120-F124 VanDerWaalsContact O-CB 3.28Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.17Å; L121-F124 PolarHBondContact O-N 2.97Å; Q122-F124 PolarHBondContact O-N 3.01Å; F124-M127 HydrophobicContact CD2-CE 4.26Å; F124-M127 PolarHBondContact O-N 3.3Å; F124-K128 HydrophobicContact CE1-CD 4.46Å; F124-K128 WeakPolarHBondContact O-CB 3.36Å; F124-K128 PolarHBondContact O-N 3.02Å; F124-L186 HydrophobicContact CB-CD1 4.33Å; F124-S189 VanDerWaalsContact CE1-CB 3.48Å; F124-S189 WeakPolarHBondContact CZ-O 3.32Å; F124-V190 HydrophobicContact CD2-CG2 3.94Å; F124-V190 HydrophobicContact CE2-CB 4.47Å; F124-V190 HydrophobicContact CE2-CG2 3.84Å; F124-E193 HydrophobicContact CE2-CG 4.22Å; F124-E193 HydrophobicContact CZ-CG 3.56Å |
| 125 | W | 90.9 | Very high | 86.5 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 3% | 0.027 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.3 | -33.5 | 180 | -77.2 | 100.6 | 0 | 0 | 0 | 112.3 | L121 Q122 E123 K128 L129 L135 A139 V141 L159 P160 S189 | L121-W125 VanDerWaalsContact O-CD1 3.32Å; L121-W125 PolarHBondContact O-N 3Å; Q122-W125 PolarHBondContact O-N 3.41Å; E123-W125 PolarHBondContact O-N 3.5Å; W125-K128 HydrophobicContact CE3-CD 3.94Å; W125-K128 HydrophobicContact CZ3-CD 3.82Å; W125-K128 PolarHBondContact O-N 3.01Å; W125-L129 PolarHBondContact O-N 3.32Å; W125-L135 HydrophobicContact CE3-CD1 4.19Å; W125-L135 HydrophobicContact CE3-CD2 4.35Å; W125-L135 HydrophobicContact CZ3-CD2 4.04Å; W125-A139 HydrophobicContact CB-CB 4.28Å; W125-A139 WeakPolarHBondContact O-CB 3.46Å; W125-V141 HydrophobicContact CB-CG2 4.27Å; W125-V141 HydrophobicContact CG-CG2 4.1Å; W125-L159 HydrophobicContact CZ2-CB 3.91Å; W125-L159 HydrophobicContact CZ2-CD1 3.88Å; W125-L159 HydrophobicContact CZ2-CG 4.33Å; W125-P160 HydrophobicContact CB-CG 4.26Å; W125-P160 HydrophobicContact CD2-CB 4.29Å; W125-P160 HydrophobicContact CD2-CG 3.79Å; W125-P160 HydrophobicContact CE3-CB 3.66Å; W125-P160 HydrophobicContact CE3-CG 3.63Å; W125-P160 HydrophobicContact CG-CG 4.05Å; W125-P160 WeakPolarHBondContact CH2-O 3.28Å; W125-P160 HydrophobicContact CZ3-CB 3.79Å; W125-P160 HydrophobicContact CZ3-CG 4.22Å; W125-S189 PolarHBondContact NE1-OG 3.34Å |
| 126 | Q | 90.3 | Very high | 86.7 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 43% | 0.43 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 174.1 | -170 | 60.6 | 54.9 | 0 | 0 | 111.6 | Q122 E123 K128 L129 T130 | Q122-Q126 WeakPolarHBondContact O-CB 3.49Å; Q122-Q126 PolarHBondContact O-N 3.46Å; E123-Q126 PolarHBondContact O-N 3.31Å; Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 2.9Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.3Å; Q126-T130 PolarHBondContact O-N 3.44Å; Q126-T130 PolarHBondContact O-OG1 3.35Å |
| 127 | M | 87.9 | Confident | 85.9 | Confident | 66 Ų | 66 | 71 Ų | 71 | 33% | 0.325 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174 | 177.7 | -170.4 | 64.6 | 0 | 0 | 111.1 | E123 F124 T130 R131 | E123-M127 VanDerWaalsContact O-CB 3.31Å; E123-M127 WeakPolarHBondContact O-CB 3.34Å; E123-M127 PolarHBondContact O-N 3.41Å; F124-M127 HydrophobicContact CD2-CE 4.26Å; F124-M127 PolarHBondContact O-N 3.3Å; M127-T130 PolarHBondContact O-N 3.33Å; M127-R131 WeakPolarHBondContact O-CG 3.48Å; M127-R131 PolarHBondContact O-N 2.85Å |
| 128 | K | 85.8 | Confident | 85.5 | Confident | 36 Ų | 36 | 71.8 Ų | 71.8 | 16% | 0.157 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 177.9 | -176.7 | 166.4 | 176 | 170.8 | 0 | 111.9 | F124 W125 Q126 R131 A133 E193 | F124-K128 HydrophobicContact CE1-CD 4.46Å; F124-K128 WeakPolarHBondContact O-CB 3.36Å; F124-K128 PolarHBondContact O-N 3.02Å; W125-K128 HydrophobicContact CE3-CD 3.94Å; W125-K128 HydrophobicContact CZ3-CD 3.82Å; W125-K128 PolarHBondContact O-N 3.01Å; Q126-K128 VanDerWaalsContact C-N 3.28Å; Q126-K128 PolarHBondContact O-N 2.9Å; K128-R131 PolarHBondContact O-N 3.4Å; K128-A133 HydrophobicContact CD-CB 4.38Å; K128-A133 HydrophobicContact CG-CB 3.5Å; K128-A133 VanDerWaalsContact O-CB 3.25Å; K128-A133 WeakPolarHBondContact O-CB 3.34Å; K128-A133 PolarHBondContact O-N 3.5Å; K128-E193 VanDerWaalsContact CE-OE1 3.27Å; K128-E193 WeakPolarHBondContact CE-OE1 3.47Å; K128-E193 IonicContact NZ-OE1 3.77Å; K128-E193 PolarHBondContact NZ-OE1 3.36Å |
| 129 | L | 87.4 | Confident | 85.1 | Confident | 59 Ų | 59 | 71 Ų | 71 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -46.5 | 173.2 | -177.9 | 62.4 | 0 | 0 | 0 | 112.1 | W125 Q126 R131 G132 L135 A139 | W125-L129 PolarHBondContact O-N 3.32Å; Q126-L129 WeakPolarHBondContact O-CB 3.26Å; Q126-L129 PolarHBondContact O-N 3.3Å; L129-R131 PolarHBondContact O-N 2.98Å; L129-G132 PolarHBondContact O-N 3.19Å; L129-L135 HydrophobicContact CB-CD1 3.94Å; L129-L135 HydrophobicContact CD1-CB 4.2Å; L129-L135 HydrophobicContact CD1-CD1 4.19Å; L129-L135 HydrophobicContact CD1-CG 4.27Å; L129-A139 HydrophobicContact CB-CB 3.95Å; L129-A139 HydrophobicContact CD2-CB 3.87Å |
| 130 | T | 87.9 | Confident | 85.1 | Confident | 115 Ų | 115 | 71.1 Ų | 71.1 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.5 | -27.6 | 178.2 | -57.1 | 0 | 0 | 0 | 0 | 112.7 | Q126 M127 G132 | Q126-T130 PolarHBondContact O-N 3.44Å; Q126-T130 PolarHBondContact O-OG1 3.35Å; M127-T130 PolarHBondContact O-N 3.33Å; T130-G132 PolarHBondContact O-N 2.96Å |
| 131 | R | 86.9 | Confident | 85.2 | Confident | 195 Ų | 195 | 71.3 Ų | 71.3 | 74% | 0.736 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4.4 | 173.9 | -70.6 | 176.6 | 178.3 | -170.3 | 0.4 | 114 | M127 K128 L129 | M127-R131 WeakPolarHBondContact O-CG 3.48Å; M127-R131 PolarHBondContact O-N 2.85Å; K128-R131 PolarHBondContact O-N 3.4Å; L129-R131 PolarHBondContact O-N 2.98Å |
| 132 | G | 81.9 | Confident | 85.3 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 68% | 0.68 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88 | 20.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L129 T130 D134 | L129-G132 PolarHBondContact O-N 3.19Å; T130-G132 PolarHBondContact O-N 2.96Å; G132-D134 PolarHBondContact O-N 3.15Å |
| 133 | A | 81.4 | Confident | 85.5 | Confident | 28 Ų | 28 | 74.2 Ų | 74.2 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | trans | -64.5 | 134 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K128 L135 | K128-A133 HydrophobicContact CD-CB 4.38Å; K128-A133 HydrophobicContact CG-CB 3.5Å; K128-A133 VanDerWaalsContact O-CB 3.25Å; K128-A133 WeakPolarHBondContact O-CB 3.34Å; K128-A133 PolarHBondContact O-N 3.5Å; A133-L135 HydrophobicContact CB-CD2 4.25Å; A133-L135 HydrophobicContact CB-CG 4.21Å; A133-L135 PolarHBondContact O-N 2.99Å | ||
| 134 | D | 77.3 | Confident | 85.8 | Confident | 143 Ų | 143 | 73.7 Ų | 73.7 | 77% | 0.765 | 39% | 0.385 | S | S | * | . | trans | -74.9 | 88.6 | 176 | -176.1 | 17.5 | 0 | 0 | 0 | 110.2 | G132 | G132-D134 PolarHBondContact O-N 3.15Š| ||
| 135 | L | 80.9 | Confident | 86.1 | Confident | 25 Ų | 25 | 76 Ų | 76 | 13% | 0.131 | 40% | 0.396 | C | S | . | . | trans | -104.4 | 94.6 | 175.5 | -52.1 | -177.9 | 0 | 0 | 0 | 108.8 | W125 L129 A133 N137 G138 A139 P160 | W125-L135 HydrophobicContact CE3-CD1 4.19Å; W125-L135 HydrophobicContact CE3-CD2 4.35Å; W125-L135 HydrophobicContact CZ3-CD2 4.04Å; L129-L135 HydrophobicContact CB-CD1 3.94Å; L129-L135 HydrophobicContact CD1-CB 4.2Å; L129-L135 HydrophobicContact CD1-CD1 4.19Å; L129-L135 HydrophobicContact CD1-CG 4.27Å; A133-L135 HydrophobicContact CB-CD2 4.25Å; A133-L135 HydrophobicContact CB-CG 4.21Å; A133-L135 PolarHBondContact O-N 2.99Å; L135-N137 PolarHBondContact O-N 3.45Å; L135-G138 WeakPolarHBondContact CB-O 3.38Å; L135-G138 PolarHBondContact O-N 3.34Å; L135-A139 HydrophobicContact CD1-CB 4.14Å; L135-P160 HydrophobicContact CD1-CB 4.06Å; L135-P160 HydrophobicContact CD1-CG 4.48Å; L135-P160 HydrophobicContact CD2-CB 4.01Å; L135-P160 HydrophobicContact CG-CB 4.46Å | ||
| 136 | R | 67.9 | Low | 86.4 | Confident | 187 Ų | 187 | 78 Ų | 78 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -34.7 | -178.3 | -68.6 | -172.8 | 176.6 | -174.3 | 0.8 | 114.2 | ||
| 137 | N | 69.5 | Low | 86.5 | Confident | 156 Ų | 156 | 79.7 Ų | 79.7 | 83% | 0.834 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | 20.3 | -178.8 | -61.1 | -7.1 | 0 | 0 | 0 | 113 | L135 | L135-N137 PolarHBondContact O-N 3.45Š|
| 138 | G | 80.8 | Confident | 86.8 | Confident | 25 Ų | 25 | 78.5 Ų | 78.5 | 26% | 0.258 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | -169.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | L135 L140 | L135-G138 WeakPolarHBondContact CB-O 3.38Å; L135-G138 PolarHBondContact O-N 3.34Å; G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 2.88Å |
| 139 | A | 85.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 84.7 Ų | 84.7 | 5% | 0.05 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 14.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q122 W125 L129 L135 V141 | Q122-A139 PolarHBondContact NE2-O 3.29Å; W125-A139 HydrophobicContact CB-CB 4.28Å; W125-A139 WeakPolarHBondContact O-CB 3.46Å; L129-A139 HydrophobicContact CB-CB 3.95Å; L129-A139 HydrophobicContact CD2-CB 3.87Å; L135-A139 HydrophobicContact CD1-CB 4.14Å; A139-V141 PolarHBondContact O-N 3.42Å |
| 140 | L | 88.8 | Confident | 87.6 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 60% | 0.597 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 123.9 | -171.3 | -176.7 | 63.6 | 0 | 0 | 0 | 111 | G138 V142 | G138-L140 VanDerWaalsContact C-N 3.27Å; G138-L140 PolarHBondContact O-N 2.88Å; L140-V142 HydrophobicContact CD2-CG2 4.28Å; L140-V142 HydrophobicContact CG-CG2 4.24Å |
| 141 | V | 93.8 | Very high | 87.8 | Confident | 7 Ų | 7 | 82.9 Ų | 82.9 | 4% | 0.042 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -94.7 | 118.4 | 171.3 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | L121 W125 A139 Y143 V157 L159 | L121-V141 HydrophobicContact CD2-CG1 3.92Å; L121-V141 HydrophobicContact CG-CG1 4.29Å; L121-V141 HydrophobicContact CG-CG2 4.23Å; W125-V141 HydrophobicContact CB-CG2 4.27Å; W125-V141 HydrophobicContact CG-CG2 4.1Å; A139-V141 PolarHBondContact O-N 3.42Å; V141-Y143 HydrophobicContact CB-CE2 4.37Å; V141-Y143 HydrophobicContact CG1-CD2 4.43Å; V141-Y143 HydrophobicContact CG1-CE2 3.76Å; V141-V157 HydrophobicContact CG1-CG2 3.32Å; V141-L159 HydrophobicContact CG1-CD2 4.1Å; V141-L159 HydrophobicContact CG2-CD2 4.32Å |
| 142 | V | 95 | Very high | 88.2 | Confident | 76 Ų | 76 | 77 Ų | 77 | 46% | 0.461 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.3 | -175.1 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | L140 V157 S158 | L140-V142 HydrophobicContact CD2-CG2 4.28Å; L140-V142 HydrophobicContact CG-CG2 4.24Å; V142-V157 CarbonylContact O-C 3.22Å; V142-V157 VanDerWaalsContact O-CA 3.27Å; V142-V157 WeakPolarHBondContact O-CA 3.36Å; V142-S158 PolarHBondContact N-O 3.39Å; V142-S158 PolarHBondContact O-N 2.99Å |
| 143 | Y | 96.4 | Very high | 88.9 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 18% | 0.18 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.4 | 174.9 | -67.2 | -91.4 | 0 | 0 | 0 | 110 | V118 V141 Y156 V157 R178 A182 | V118-Y143 HydrophobicContact CG1-CE2 4.24Å; V141-Y143 HydrophobicContact CB-CE2 4.37Å; V141-Y143 HydrophobicContact CG1-CD2 4.43Å; V141-Y143 HydrophobicContact CG1-CE2 3.76Å; Y143-Y156 WeakPolarHBondContact CA-O 3.38Å; Y143-V157 HydrophobicContact CD1-CB 3.97Å; Y143-V157 HydrophobicContact CD1-CG2 3.93Å; Y143-V157 HydrophobicContact CE1-CB 3.95Å; Y143-V157 HydrophobicContact CE1-CG2 3.63Å; Y143-V157 HydrophobicContact CE2-CG2 4.44Å; Y143-V157 HydrophobicContact CG-CG2 4.48Å; Y143-R178 HydrophobicContact CD1-CG 3.62Å; Y143-R178 HydrophobicContact CE1-CG 3.81Å; Y143-R178 HydrophobicContact CG-CG 4.22Å; Y143-A182 HydrophobicContact CE1-CB 4.11Å |
| 144 | E | 96.6 | Very high | 89.7 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 40% | 0.402 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.4 | 177.9 | -173.8 | -171.2 | 135.9 | 0 | 0 | 108.7 | C155 Y156 K333 | E144-C155 CarbonylContact O-C 3.57Å; E144-C155 WeakPolarHBondContact O-CA 3.46Å; E144-Y156 PolarHBondContact N-O 3.39Å; E144-Y156 PolarHBondContact O-N 3.47Å; E144-K333 IonicContact OE1-NZ 3.35Å; E144-K333 PolarHBondContact OE1-NZ 3.03Å; E144-K333 IonicContact OE2-NZ 2.68Å; E144-K333 PolarHBondContact OE2-NZ 3.28Å |
| 145 | M | 96.4 | Very high | 90.7 | Very high | 61 Ų | 61 | 68.4 Ų | 68.4 | 30% | 0.3 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.7 | 175.1 | -75 | -61.4 | -45.9 | 0 | 0 | 109.4 | P147 V154 C155 K174 A177 | M145-P147 WeakPolarHBondContact O-CD 3.32Å; M145-V154 WeakPolarHBondContact CE-O 3.09Å; M145-C155 HydrophobicContact CE-CB 4.33Å; M145-C155 HydrophobicContact SD-CB 3.46Å; M145-C155 WeakPolarHBondContact SD-CB 3.38Å; M145-K174 HydrophobicContact CE-CB 3.88Å; M145-K174 HydrophobicContact CE-CD 4.45Å; M145-K174 HydrophobicContact CE-CG 3.88Å; M145-A177 HydrophobicContact CE-CB 4.16Å |
| 146 | V | 95.4 | Very high | 91.5 | Very high | 50 Ų | 50 | 68.1 Ų | 68.1 | 30% | 0.303 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 127.5 | 171.8 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | S148 V154 Y156 | V146-S148 PolarHBondContact O-N 2.96Å; V146-S148 VanDerWaalsContact O-N 3.15Å; V146-V154 HydrophobicContact CB-CB 4.08Å; V146-V154 HydrophobicContact CG2-CB 3.77Å; V146-V154 HydrophobicContact CG2-CG1 3.79Å; V146-V154 PolarHBondContact N-O 3.03Å; V146-Y156 HydrophobicContact CG2-CD2 4.01Å; V146-Y156 HydrophobicContact CG2-CE2 3.47Å; V146-Y156 VanDerWaalsContact CG2-CE2 3.47Å |
| 147 | P | 94.4 | Very high | 92.9 | Very high | 127 Ų | 127 | 59.2 Ų | 59.2 | 83% | 0.825 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 118.5 | 176.9 | -24.1 | 34.4 | 0 | 0 | 0 | 110.9 | M145 | M145-P147 WeakPolarHBondContact O-CD 3.32Š|
| 148 | S | 94.2 | Very high | 94.1 | Very high | 40 Ų | 40 | 53.6 Ų | 53.6 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | trans | -153.9 | 144.5 | 172.5 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | V146 S150 | V146-S148 PolarHBondContact O-N 2.96Å; V146-S148 VanDerWaalsContact O-N 3.15Å; S148-S150 PolarHBondContact OG-N 3.38Å; S148-S150 PolarHBondContact OG-O 3.29Å | ||
| 149 | N | 93.5 | Very high | 94.6 | Very high | 167 Ų | 167 | 52.7 Ų | 52.7 | 89% | 0.893 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -92.5 | -10.1 | 175.7 | -66.4 | -27 | 0 | 0 | 0 | 112.8 | ||
| 150 | S | 94.9 | Very high | 94.8 | Very high | 72 Ų | 72 | 53.1 Ų | 53.1 | 50% | 0.503 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -145.8 | 156.7 | -178.1 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | S148 | S148-S150 PolarHBondContact OG-N 3.38Å; S148-S150 PolarHBondContact OG-O 3.29Å |
| 151 | P | 92.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 50.5 Ų | 50.5 | 42% | 0.416 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -66.7 | 156.7 | 176 | 28.6 | -35.9 | 0 | 0 | 0 | 112.1 | Y153 F170 | P151-Y153 HydrophobicContact CB-CD2 4.23Å; P151-Y153 HydrophobicContact CB-CE2 4.14Å; P151-F170 HydrophobicContact CB-CZ 4.2Å |
| 152 | P | 94.8 | Very high | 94.1 | Very high | 72 Ų | 72 | 51.1 Ų | 51.1 | 47% | 0.468 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -76.3 | 136.2 | 2.6 | 29.6 | -33.5 | 0 | 0 | 0 | 113.2 | F170 | P152-F170 HydrophobicContact CB-CD2 3.79Å; P152-F170 HydrophobicContact CB-CE2 3.87Å; P152-F170 HydrophobicContact CG-CD2 4.42Å; P152-F170 HydrophobicContact CG-CE2 4.38Å |
| 153 | Y | 97.4 | Very high | 93.9 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 140.1 | 172.6 | -63.1 | -75.4 | 0 | 0 | 0 | 110.8 | P151 C171 P172 T173 K174 A177 | P151-Y153 HydrophobicContact CB-CD2 4.23Å; P151-Y153 HydrophobicContact CB-CE2 4.14Å; Y153-C171 PolarHBondContact N-O 2.91Å; Y153-C171 WeakPolarHBondContact O-CB 3.44Å; Y153-P172 WeakPolarHBondContact CD2-O 3.48Å; Y153-P172 WeakPolarHBondContact CE2-O 3.33Å; Y153-T173 VanDerWaalsContact CD2-C 3.41Å; Y153-T173 VanDerWaalsContact CD2-CA 3.5Å; Y153-K174 HydrophobicContact CD1-CD 4.48Å; Y153-K174 HydrophobicContact CD1-CG 3.6Å; Y153-K174 HydrophobicContact CD2-CG 4.39Å; Y153-K174 HydrophobicContact CE1-CD 4.5Å; Y153-K174 HydrophobicContact CE1-CG 3.87Å; Y153-K174 HydrophobicContact CG-CG 3.88Å; Y153-A177 WeakPolarHBondContact O-CB 3.25Å |
| 154 | V | 97.4 | Very high | 93.9 | Very high | 19 Ų | 19 | 45.7 Ų | 45.7 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | trans | -118.3 | 134.4 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | M145 V146 Y156 S167 | M145-V154 WeakPolarHBondContact CE-O 3.09Å; V146-V154 HydrophobicContact CB-CB 4.08Å; V146-V154 HydrophobicContact CG2-CB 3.77Å; V146-V154 HydrophobicContact CG2-CG1 3.79Å; V146-V154 PolarHBondContact N-O 3.03Å; V154-Y156 HydrophobicContact CG1-CE1 4.26Å; V154-Y156 HydrophobicContact CG1-CE2 3.96Å; V154-S167 WeakPolarHBondContact CA-OG 3.3Å | ||
| 155 | C | 97.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.9 | 173.8 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | E144 M145 G166 S167 A177 A181 | E144-C155 CarbonylContact O-C 3.57Å; E144-C155 WeakPolarHBondContact O-CA 3.46Å; M145-C155 HydrophobicContact CE-CB 4.33Å; M145-C155 HydrophobicContact SD-CB 3.46Å; M145-C155 WeakPolarHBondContact SD-CB 3.38Å; C155-G166 CarbonylContact O-C 3.51Å; C155-G166 VanDerWaalsContact O-CA 3.25Å; C155-G166 WeakPolarHBondContact O-CA 3.25Å; C155-S167 PolarHBondContact N-OG 3.12Å; C155-S167 VanDerWaalsContact N-OG 3.17Å; C155-S167 PolarHBondContact O-N 3.42Å; C155-A177 HydrophobicContact CB-CB 3.84Å; C155-A181 HydrophobicContact CB-CB 4.21Å; C155-A181 WeakPolarHBondContact O-CB 3.27Å |
| 156 | Y | 97.9 | Very high | 93.8 | Very high | 20 Ų | 20 | 39 Ų | 39 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 148.9 | 166.3 | -58.8 | -71.3 | 0 | 0 | 0 | 109.8 | Y143 E144 V146 V154 F165 L319 R323 L329 | Y143-Y156 WeakPolarHBondContact CA-O 3.38Å; E144-Y156 PolarHBondContact N-O 3.39Å; E144-Y156 PolarHBondContact O-N 3.47Å; V146-Y156 HydrophobicContact CG2-CD2 4.01Å; V146-Y156 HydrophobicContact CG2-CE2 3.47Å; V146-Y156 VanDerWaalsContact CG2-CE2 3.47Å; V154-Y156 HydrophobicContact CG1-CE1 4.26Å; V154-Y156 HydrophobicContact CG1-CE2 3.96Å; Y156-F165 CarbonylContact C-O 3.6Å; Y156-F165 VanDerWaalsContact CA-O 3.31Å; Y156-F165 WeakPolarHBondContact CA-O 3.4Å; Y156-L319 HydrophobicContact CE1-CD1 4.36Å; Y156-R323 HydrophobicContact CE1-CG 4.37Å; Y156-L329 HydrophobicContact CD1-CD1 3.78Å; Y156-L329 HydrophobicContact CE1-CD1 3.76Å |
| 157 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.6 | 175 | 61.7 | 0 | 0 | 0 | 0 | 108.8 | L121 V141 V142 Y143 L159 C164 F165 A181 A185 | L121-V157 HydrophobicContact CD2-CG2 4.22Å; V141-V157 HydrophobicContact CG1-CG2 3.32Å; V142-V157 CarbonylContact O-C 3.22Å; V142-V157 VanDerWaalsContact O-CA 3.27Å; V142-V157 WeakPolarHBondContact O-CA 3.36Å; Y143-V157 HydrophobicContact CD1-CB 3.97Å; Y143-V157 HydrophobicContact CD1-CG2 3.93Å; Y143-V157 HydrophobicContact CE1-CB 3.95Å; Y143-V157 HydrophobicContact CE1-CG2 3.63Å; Y143-V157 HydrophobicContact CE2-CG2 4.44Å; Y143-V157 HydrophobicContact CG-CG2 4.48Å; V157-L159 HydrophobicContact CG2-CD2 4.46Å; V157-C164 CarbonylContact O-C 3.55Å; V157-C164 WeakPolarHBondContact O-CA 3.48Å; V157-F165 HydrophobicContact CG1-CB 3.93Å; V157-F165 PolarHBondContact N-O 3.41Å; V157-F165 PolarHBondContact O-N 2.87Å; V157-A181 HydrophobicContact CB-CB 4.22Å; V157-A181 HydrophobicContact CG1-CB 3.88Å; V157-A185 HydrophobicContact CG1-CB 3.46Å; V157-A185 VanDerWaalsContact CG1-CB 3.46Å; V157-A185 HydrophobicContact CG2-CB 4.4Å |
| 158 | S | 94.6 | Very high | 93.7 | Very high | 37 Ų | 37 | 31 Ų | 31 | 26% | 0.259 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.8 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 109.1 | V142 S163 | V142-S158 PolarHBondContact N-O 3.39Å; V142-S158 PolarHBondContact O-N 2.99Å; S158-S163 WeakPolarHBondContact CA-O 3.34Å |
| 159 | L | 92.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 20% | 0.204 | C | C | . | . | trans | -89 | 157.2 | -178.6 | -60.9 | -177.8 | 0 | 0 | 0 | 110.9 | L121 W125 V141 V157 G161 G162 S163 F165 A185 S189 | L121-L159 HydrophobicContact CD1-CD2 4.05Å; L121-L159 HydrophobicContact CD2-CD2 4.16Å; L121-L159 HydrophobicContact CG-CD2 4.46Å; W125-L159 HydrophobicContact CZ2-CB 3.91Å; W125-L159 HydrophobicContact CZ2-CD1 3.88Å; W125-L159 HydrophobicContact CZ2-CG 4.33Å; V141-L159 HydrophobicContact CG1-CD2 4.1Å; V141-L159 HydrophobicContact CG2-CD2 4.32Å; V157-L159 HydrophobicContact CG2-CD2 4.46Å; L159-G161 PolarHBondContact O-N 2.85Å; L159-G162 VanDerWaalsContact O-CA 3.27Å; L159-G162 WeakPolarHBondContact O-CA 3.23Å; L159-G162 PolarHBondContact O-N 3.41Å; L159-S163 PolarHBondContact N-O 3.41Å; L159-F165 HydrophobicContact CD1-CD2 4.07Å; L159-F165 HydrophobicContact CD1-CE2 3.68Å; L159-F165 HydrophobicContact CG-CD2 4.47Å; L159-F165 HydrophobicContact CG-CE2 4.46Å; L159-A185 HydrophobicContact CD1-CB 4.33Å; L159-A185 HydrophobicContact CD2-CB 4.01Å; L159-A185 HydrophobicContact CG-CB 4.42Å; L159-S189 WeakPolarHBondContact CD1-OG 3.39Å | ||
| 160 | P | 88.4 | Confident | 93.5 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.091 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 134.3 | 164.2 | -25.3 | 34.5 | 0 | 0 | 0 | 111.2 | W125 L135 G162 | W125-P160 HydrophobicContact CB-CG 4.26Å; W125-P160 HydrophobicContact CD2-CB 4.29Å; W125-P160 HydrophobicContact CD2-CG 3.79Å; W125-P160 HydrophobicContact CE3-CB 3.66Å; W125-P160 HydrophobicContact CE3-CG 3.63Å; W125-P160 HydrophobicContact CG-CG 4.05Å; W125-P160 WeakPolarHBondContact CH2-O 3.28Å; W125-P160 HydrophobicContact CZ3-CB 3.79Å; W125-P160 HydrophobicContact CZ3-CG 4.22Å; L135-P160 HydrophobicContact CD1-CB 4.06Å; L135-P160 HydrophobicContact CD1-CG 4.48Å; L135-P160 HydrophobicContact CD2-CB 4.01Å; L135-P160 HydrophobicContact CG-CB 4.46Å; P160-G162 VanDerWaalsContact C-N 3.26Å |
| 161 | G | 82.1 | Confident | 93.5 | Very high | 59 Ų | 59 | 27.3 Ų | 27.3 | 61% | 0.608 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88 | -10.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L159 R330 | L159-G161 PolarHBondContact O-N 2.85Å; G161-R330 PolarHBondContact O-NH1 3.39Å |
| 162 | G | 87.6 | Confident | 93.6 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 96.8 | -1.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117 | L159 P160 C164 R330 | L159-G162 VanDerWaalsContact O-CA 3.27Å; L159-G162 WeakPolarHBondContact O-CA 3.23Å; L159-G162 PolarHBondContact O-N 3.41Å; P160-G162 VanDerWaalsContact C-N 3.26Å; G162-C164 PolarHBondContact O-N 3.08Å; G162-R330 VanDerWaalsContact CA-CZ 3.45Å; G162-R330 WeakPolarHBondContact O-CD 3.48Å; G162-R330 WeakPolarHBondContact O-CG 3.45Å; G162-R330 PolarHBondContact O-NE 3.12Å |
| 163 | S | 90.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | trans | -53.9 | 140.8 | 169.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | S158 L159 L245 E328 | S158-S163 WeakPolarHBondContact CA-O 3.34Å; L159-S163 PolarHBondContact N-O 3.41Å; S163-L245 WeakPolarHBondContact OG-CD2 3.38Å; S163-E328 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 164 | C | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 29.9 Ų | 29.9 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.8 | -174.6 | -167.9 | 0 | 0 | 0 | 0 | 111 | V157 G162 E328 L329 R330 | V157-C164 CarbonylContact O-C 3.55Å; V157-C164 WeakPolarHBondContact O-CA 3.48Å; G162-C164 PolarHBondContact O-N 3.08Å; C164-E328 PolarHBondContact N-OE1 3.3Å; C164-L329 HydrophobicContact CB-CB 4.25Å; C164-L329 PolarHBondContact O-N 3.32Å; C164-R330 HydrophobicContact CB-CB 4.07Å |
| 165 | F | 95.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 1% | 0.013 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 163.5 | 175.3 | -58.2 | -81.1 | 0 | 0 | 0 | 109.9 | Y156 V157 L159 I184 A185 N188 E328 | Y156-F165 CarbonylContact C-O 3.6Å; Y156-F165 VanDerWaalsContact CA-O 3.31Å; Y156-F165 WeakPolarHBondContact CA-O 3.4Å; V157-F165 HydrophobicContact CG1-CB 3.93Å; V157-F165 PolarHBondContact N-O 3.41Å; V157-F165 PolarHBondContact O-N 2.87Å; L159-F165 HydrophobicContact CD1-CD2 4.07Å; L159-F165 HydrophobicContact CD1-CE2 3.68Å; L159-F165 HydrophobicContact CG-CD2 4.47Å; L159-F165 HydrophobicContact CG-CE2 4.46Å; F165-I184 HydrophobicContact CB-CB 4.4Å; F165-I184 HydrophobicContact CB-CG2 4.02Å; F165-I184 HydrophobicContact CD1-CG2 3.56Å; F165-I184 HydrophobicContact CE1-CG2 4.3Å; F165-I184 HydrophobicContact CG-CG2 3.94Å; F165-A185 HydrophobicContact CB-CB 4.31Å; F165-A185 HydrophobicContact CD2-CB 3.82Å; F165-A185 HydrophobicContact CG-CB 4.35Å; F165-N188 HydrophobicContact CE1-CB 4.08Å; F165-N188 WeakPolarHBondContact CE1-ND2 3.48Å; F165-N188 HydrophobicContact CE2-CB 3.96Å; F165-N188 HydrophobicContact CZ-CB 3.52Å; F165-E328 HydrophobicContact CE1-CB 4.31Å; F165-E328 HydrophobicContact CE1-CG 4.39Å; F165-E328 HydrophobicContact CZ-CG 4.4Å |
| 166 | G | 96.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 163.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C155 F168 L329 | C155-G166 CarbonylContact O-C 3.51Å; C155-G166 VanDerWaalsContact O-CA 3.25Å; C155-G166 WeakPolarHBondContact O-CA 3.25Å; G166-F168 PolarHBondContact O-N 3.07Å; G166-L329 VanDerWaalsContact N-CD1 3.35Å |
| 167 | S | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -53.1 | 131 | 162 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | V154 C155 S180 R323 | V154-S167 WeakPolarHBondContact CA-OG 3.3Å; C155-S167 PolarHBondContact N-OG 3.12Å; C155-S167 VanDerWaalsContact N-OG 3.17Å; C155-S167 PolarHBondContact O-N 3.42Å; S167-S180 WeakPolarHBondContact CA-OG 3.4Å; S167-R323 WeakPolarHBondContact O-CD 3.41Å; S167-R323 WeakPolarHBondContact O-CG 3.42Å; S167-R323 PolarHBondContact O-NH1 3.48Å | ||
| 168 | F | 91.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 39.4 Ų | 39.4 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | trans | -113.6 | 2.6 | -170.7 | 63.5 | -82.2 | 0 | 0 | 0 | 113.1 | L94 K95 G166 S180 I184 R323 | L94-F168 HydrophobicContact CD2-CD2 3.78Å; L94-F168 HydrophobicContact CD2-CE2 4.17Å; L94-F168 HydrophobicContact CD2-CG 4.2Å; L94-F168 HydrophobicContact CG-CE2 4.42Å; K95-F168 HydrophobicContact CB-CE2 4.38Å; G166-F168 PolarHBondContact O-N 3.07Å; F168-S180 WeakPolarHBondContact CD1-OG 3.32Å; F168-S180 WeakPolarHBondContact CE1-OG 3.45Å; F168-S180 PolarHBondContact N-OG 3.16Å; F168-I184 HydrophobicContact CD1-CD1 3.52Å; F168-I184 HydrophobicContact CD1-CG1 3.23Å; F168-I184 HydrophobicContact CE1-CD1 3.42Å; F168-I184 VanDerWaalsContact CE1-CD1 3.42Å; F168-I184 HydrophobicContact CE1-CG1 3.48Å; F168-I184 VanDerWaalsContact CE1-CG1 3.48Å; F168-I184 HydrophobicContact CG-CD1 4.16Å; F168-I184 HydrophobicContact CG-CG1 4.11Å; F168-I184 HydrophobicContact CZ-CD1 3.99Å; F168-R323 WeakPolarHBondContact CB-O 3.46Å | ||
| 169 | Q | 90.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 43.2 Ų | 43.2 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -135.6 | 168.8 | -177.2 | 56.2 | 169.2 | 70.6 | 0 | 0 | 110.9 | C171 | Q169-C171 PolarHBondContact O-N 3.25Å; Q169-C171 PolarHBondContact O-SG 3.11Å |
| 170 | F | 92.2 | Very high | 93.5 | Very high | 133 Ų | 133 | 43.1 Ų | 43.1 | 58% | 0.583 | 23% | 0.232 | S | C | * | . | trans | -59.7 | 123.4 | 172.1 | -176.6 | -91 | 0 | 0 | 0 | 110.5 | P151 P152 P172 | P151-F170 HydrophobicContact CB-CZ 4.2Å; P152-F170 HydrophobicContact CB-CD2 3.79Å; P152-F170 HydrophobicContact CB-CE2 3.87Å; P152-F170 HydrophobicContact CG-CD2 4.42Å; P152-F170 HydrophobicContact CG-CE2 4.38Å; F170-P172 HydrophobicContact CE1-CB 4.14Å | ||
| 171 | C | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -122.5 | 105.2 | -178.4 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | Y153 Q169 T173 E176 A177 | Y153-C171 PolarHBondContact N-O 2.91Å; Y153-C171 WeakPolarHBondContact O-CB 3.44Å; Q169-C171 PolarHBondContact O-N 3.25Å; Q169-C171 PolarHBondContact O-SG 3.11Å; C171-T173 VanDerWaalsContact C-N 3.25Å; C171-T173 PolarHBondContact O-N 3.24Å; C171-E176 HydrophobicContact CB-CB 4.23Å; C171-A177 HydrophobicContact CB-CB 3.86Å | ||
| 172 | P | 96.1 | Very high | 94.5 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -70.1 | -14.8 | 178.9 | 27.1 | -37.9 | 0 | 0 | 0 | 114.4 | Y153 F170 E176 | Y153-P172 WeakPolarHBondContact CD2-O 3.48Å; Y153-P172 WeakPolarHBondContact CE2-O 3.33Å; F170-P172 HydrophobicContact CE1-CB 4.14Å; P172-E176 WeakPolarHBondContact CD-OE2 3.45Å; P172-E176 WeakPolarHBondContact CG-OE2 3.49Å |
| 173 | T | 97 | Very high | 94.6 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -133.2 | 152.8 | 177.6 | 68.9 | 0 | 0 | 0 | 0 | 112.1 | Y153 C171 A175 E176 A177 | Y153-T173 VanDerWaalsContact CD2-C 3.41Å; Y153-T173 VanDerWaalsContact CD2-CA 3.5Å; C171-T173 VanDerWaalsContact C-N 3.25Å; C171-T173 PolarHBondContact O-N 3.24Å; T173-A175 PolarHBondContact O-N 3.38Å; T173-E176 PolarHBondContact O-N 3.36Å; T173-E176 VanDerWaalsContact O-N 3.1Å; T173-E176 WeakPolarHBondContact OG1-CB 3.24Å; T173-E176 VanDerWaalsContact OG1-CG 3.3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.19Å; T173-A177 PolarHBondContact O-N 2.96Å |
| 174 | K | 96.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 41.1 Ų | 41.1 | 49% | 0.487 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.8 | -37.9 | 174.8 | -64.1 | -173.7 | 178.1 | 178.2 | 0 | 112.1 | M145 Y153 E176 A177 R178 | M145-K174 HydrophobicContact CE-CB 3.88Å; M145-K174 HydrophobicContact CE-CD 4.45Å; M145-K174 HydrophobicContact CE-CG 3.88Å; Y153-K174 HydrophobicContact CD1-CD 4.48Å; Y153-K174 HydrophobicContact CD1-CG 3.6Å; Y153-K174 HydrophobicContact CD2-CG 4.39Å; Y153-K174 HydrophobicContact CE1-CD 4.5Å; Y153-K174 HydrophobicContact CE1-CG 3.87Å; Y153-K174 HydrophobicContact CG-CG 3.88Å; K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 PolarHBondContact O-N 2.95Å; K174-A177 PolarHBondContact O-N 3.31Å; K174-R178 PolarHBondContact O-N 3.33Å |
| 175 | A | 95.4 | Very high | 94.5 | Very high | 60 Ų | 60 | 41 Ų | 41 | 50% | 0.496 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66 | -34.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T173 R179 | T173-A175 PolarHBondContact O-N 3.38Å; A175-R179 WeakPolarHBondContact O-CG 3.06Å; A175-R179 PolarHBondContact O-N 3.13Å; A175-R179 VanDerWaalsContact O-N 3.09Å; A175-R179 PolarHBondContact O-NE 3.21Å |
| 176 | E | 94.5 | Very high | 94.3 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 31% | 0.308 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -70.4 | -41.5 | 173.6 | -78.9 | 174.5 | -149 | 0 | 0 | 112.6 | C171 P172 T173 K174 R178 R179 S180 | C171-E176 HydrophobicContact CB-CB 4.23Å; P172-E176 WeakPolarHBondContact CD-OE2 3.45Å; P172-E176 WeakPolarHBondContact CG-OE2 3.49Å; T173-E176 PolarHBondContact O-N 3.36Å; T173-E176 VanDerWaalsContact O-N 3.1Å; T173-E176 WeakPolarHBondContact OG1-CB 3.24Å; T173-E176 VanDerWaalsContact OG1-CG 3.3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.19Å; K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 PolarHBondContact O-N 2.95Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.9Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-R179 IonicContact OE1-NH2 2.79Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.43Å |
| 177 | A | 96.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M145 Y153 C155 C171 T173 K174 R179 S180 A181 | M145-A177 HydrophobicContact CE-CB 4.16Å; Y153-A177 WeakPolarHBondContact O-CB 3.25Å; C155-A177 HydrophobicContact CB-CB 3.84Å; C171-A177 HydrophobicContact CB-CB 3.86Å; T173-A177 PolarHBondContact O-N 2.96Å; K174-A177 PolarHBondContact O-N 3.31Å; A177-R179 PolarHBondContact O-N 3.46Å; A177-S180 PolarHBondContact O-N 3.11Å; A177-A181 PolarHBondContact O-N 3.02Å |
| 178 | R | 96.8 | Very high | 93.5 | Very high | 113 Ų | 113 | 41.5 Ų | 41.5 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 176.6 | -171.2 | 177.6 | 179.2 | -172.1 | -2 | 112.5 | V118 Y143 K174 E176 A181 A182 | V118-R178 HydrophobicContact CG2-CG 4.31Å; Y143-R178 HydrophobicContact CD1-CG 3.62Å; Y143-R178 HydrophobicContact CE1-CG 3.81Å; Y143-R178 HydrophobicContact CG-CG 4.22Å; K174-R178 PolarHBondContact O-N 3.33Å; E176-R178 VanDerWaalsContact C-N 3.33Å; E176-R178 PolarHBondContact O-N 2.9Å; R178-A181 PolarHBondContact O-N 2.74Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.29Å |
| 179 | R | 95.1 | Very high | 93.3 | Very high | 118 Ų | 118 | 41.1 Ų | 41.1 | 45% | 0.445 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.4 | -75.1 | -175.5 | -66.8 | 160.1 | -3.1 | 112.2 | V117 V118 A175 E176 A177 A182 K183 | V117-R179 HydrophobicContact CG2-CB 4.19Å; V117-R179 HydrophobicContact CG2-CG 4.24Å; V118-R179 HydrophobicContact CG2-CG 4.19Å; A175-R179 WeakPolarHBondContact O-CG 3.06Å; A175-R179 PolarHBondContact O-N 3.13Å; A175-R179 VanDerWaalsContact O-N 3.09Å; A175-R179 PolarHBondContact O-NE 3.21Å; E176-R179 PolarHBondContact O-N 2.96Å; E176-R179 IonicContact OE1-NH2 2.79Å; A177-R179 PolarHBondContact O-N 3.46Å; R179-A182 PolarHBondContact O-N 2.96Å; R179-K183 VanDerWaalsContact O-CG 3.32Å; R179-K183 WeakPolarHBondContact O-CG 3.36Å; R179-K183 PolarHBondContact O-N 3.15Å |
| 180 | S | 94 | Very high | 93 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.035 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -45.9 | 177.5 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | S167 F168 E176 A177 K183 | S167-S180 WeakPolarHBondContact CA-OG 3.4Å; F168-S180 WeakPolarHBondContact CD1-OG 3.32Å; F168-S180 WeakPolarHBondContact CE1-OG 3.45Å; F168-S180 PolarHBondContact N-OG 3.16Å; E176-S180 WeakPolarHBondContact O-CB 3.46Å; E176-S180 PolarHBondContact O-N 3.43Å; A177-S180 PolarHBondContact O-N 3.11Å; S180-K183 WeakPolarHBondContact O-CB 3.31Å; S180-K183 PolarHBondContact O-N 2.93Å |
| 181 | A | 96.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62 | -47.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | C155 V157 A177 R178 K183 I184 A185 | C155-A181 HydrophobicContact CB-CB 4.21Å; C155-A181 WeakPolarHBondContact O-CB 3.27Å; V157-A181 HydrophobicContact CB-CB 4.22Å; V157-A181 HydrophobicContact CG1-CB 3.88Å; A177-A181 PolarHBondContact O-N 3.02Å; R178-A181 PolarHBondContact O-N 2.74Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.16Å; A181-I184 PolarHBondContact O-N 3.02Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 3.17Å; A181-A185 VanDerWaalsContact O-N 3.1Å |
| 182 | A | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -37 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | V117 V118 L121 Y143 R178 R179 A185 L186 | V117-A182 HydrophobicContact CG2-CB 4.19Å; V118-A182 HydrophobicContact CG2-CB 3.85Å; L121-A182 HydrophobicContact CD2-CB 4.26Å; Y143-A182 HydrophobicContact CE1-CB 4.11Å; R178-A182 WeakPolarHBondContact O-CB 3.31Å; R178-A182 PolarHBondContact O-N 3.29Å; R179-A182 PolarHBondContact O-N 2.96Å; A182-A185 PolarHBondContact O-N 3.44Å; A182-L186 VanDerWaalsContact O-CB 3.23Å; A182-L186 WeakPolarHBondContact O-CB 3.49Å; A182-L186 PolarHBondContact O-N 2.85Å |
| 183 | K | 91.6 | Very high | 91 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 24% | 0.239 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -49.7 | 177.3 | -82.9 | -179.9 | 179.9 | -170.5 | 0 | 112.6 | V98 V117 R179 S180 A181 M187 | V98-K183 HydrophobicContact CG1-CB 3.64Å; V98-K183 HydrophobicContact CG1-CD 4.4Å; V98-K183 HydrophobicContact CG1-CG 4.32Å; V117-K183 HydrophobicContact CB-CG 4.28Å; V117-K183 HydrophobicContact CG1-CG 4.01Å; V117-K183 HydrophobicContact CG2-CG 4.1Å; R179-K183 VanDerWaalsContact O-CG 3.32Å; R179-K183 WeakPolarHBondContact O-CG 3.36Å; R179-K183 PolarHBondContact O-N 3.15Å; S180-K183 WeakPolarHBondContact O-CB 3.31Å; S180-K183 PolarHBondContact O-N 2.93Å; A181-K183 VanDerWaalsContact C-N 3.28Å; A181-K183 PolarHBondContact O-N 3.16Å; K183-M187 WeakPolarHBondContact O-CB 3.23Å; K183-M187 PolarHBondContact O-N 3.27Å |
| 184 | I | 90.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.2 | -43.8 | 178.8 | -61.7 | -55.8 | 0 | 0 | 0 | 110.5 | L94 V98 F165 F168 A181 M187 N188 | L94-I184 HydrophobicContact CD1-CD1 4.25Å; L94-I184 HydrophobicContact CD2-CD1 4.18Å; L94-I184 HydrophobicContact CG-CD1 4.19Å; V98-I184 HydrophobicContact CG1-CD1 4.42Å; V98-I184 HydrophobicContact CG2-CD1 3.43Å; V98-I184 VanDerWaalsContact CG2-CD1 3.43Å; F165-I184 HydrophobicContact CB-CB 4.4Å; F165-I184 HydrophobicContact CB-CG2 4.02Å; F165-I184 HydrophobicContact CD1-CG2 3.56Å; F165-I184 HydrophobicContact CE1-CG2 4.3Å; F165-I184 HydrophobicContact CG-CG2 3.94Å; F168-I184 HydrophobicContact CD1-CD1 3.52Å; F168-I184 HydrophobicContact CD1-CG1 3.23Å; F168-I184 HydrophobicContact CE1-CD1 3.42Å; F168-I184 VanDerWaalsContact CE1-CD1 3.42Å; F168-I184 HydrophobicContact CE1-CG1 3.48Å; F168-I184 VanDerWaalsContact CE1-CG1 3.48Å; F168-I184 HydrophobicContact CG-CD1 4.16Å; F168-I184 HydrophobicContact CG-CG1 4.11Å; F168-I184 HydrophobicContact CZ-CD1 3.99Å; A181-I184 PolarHBondContact O-N 3.02Å; I184-M187 PolarHBondContact O-N 3.4Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.35Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 3.47Å |
| 185 | A | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L121 V157 L159 F165 A181 A182 N188 S189 | L121-A185 HydrophobicContact CD2-CB 3.72Å; V157-A185 HydrophobicContact CG1-CB 3.46Å; V157-A185 VanDerWaalsContact CG1-CB 3.46Å; V157-A185 HydrophobicContact CG2-CB 4.4Å; L159-A185 HydrophobicContact CD1-CB 4.33Å; L159-A185 HydrophobicContact CD2-CB 4.01Å; L159-A185 HydrophobicContact CG-CB 4.42Å; F165-A185 HydrophobicContact CB-CB 4.31Å; F165-A185 HydrophobicContact CD2-CB 3.82Å; F165-A185 HydrophobicContact CG-CB 4.35Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 3.17Å; A181-A185 VanDerWaalsContact O-N 3.1Å; A182-A185 PolarHBondContact O-N 3.44Å; A185-N188 PolarHBondContact O-N 3.01Å; A185-S189 VanDerWaalsContact O-CB 3.3Å; A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.47Å; A185-S189 PolarHBondContact O-OG 2.77Å |
| 186 | L | 90.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.3 | 179.1 | 59.6 | 0 | 0 | 0 | 111.7 | V102 A120 L121 F124 A182 N188 S189 V190 | V102-L186 HydrophobicContact CG2-CD2 4.35Å; A120-L186 HydrophobicContact CB-CD2 3.91Å; L121-L186 HydrophobicContact CB-CB 4.28Å; L121-L186 HydrophobicContact CB-CD1 4.43Å; L121-L186 HydrophobicContact CD1-CB 4.11Å; L121-L186 HydrophobicContact CD1-CD1 4.27Å; F124-L186 HydrophobicContact CB-CD1 4.33Å; A182-L186 VanDerWaalsContact O-CB 3.23Å; A182-L186 WeakPolarHBondContact O-CB 3.49Å; A182-L186 PolarHBondContact O-N 2.85Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.67Å; L186-S189 PolarHBondContact O-N 3.1Å; L186-V190 HydrophobicContact CD1-CG2 3.84Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.1Å |
| 187 | M | 88.1 | Confident | 87.2 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.6 | -51 | 174.9 | -177.6 | -175.9 | 70.7 | 0 | 0 | 110.7 | L94 V98 V101 K183 I184 S189 V190 F191 | L94-M187 HydrophobicContact CD1-CE 4.21Å; V98-M187 HydrophobicContact CB-SD 4.05Å; V98-M187 HydrophobicContact CG2-CE 3.66Å; V98-M187 HydrophobicContact CG2-SD 3.36Å; V98-M187 WeakPolarHBondContact CG2-SD 3.5Å; V101-M187 HydrophobicContact CB-CG 3.98Å; V101-M187 HydrophobicContact CG1-CB 4.37Å; V101-M187 HydrophobicContact CG1-CG 4.04Å; V101-M187 HydrophobicContact CG2-CG 3.95Å; V101-M187 HydrophobicContact CG2-SD 4.43Å; K183-M187 WeakPolarHBondContact O-CB 3.23Å; K183-M187 PolarHBondContact O-N 3.27Å; I184-M187 PolarHBondContact O-N 3.4Å; M187-S189 VanDerWaalsContact C-N 3.34Å; M187-S189 PolarHBondContact O-N 2.9Å; M187-V190 PolarHBondContact O-N 2.85Å; M187-F191 WeakPolarHBondContact O-CB 3.5Å; M187-F191 PolarHBondContact O-N 3.43Å |
| 188 | N | 87 | Confident | 86.7 | Confident | 11 Ų | 11 | 43.7 Ų | 43.7 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.1 | -37 | 179.6 | -80.5 | -80.3 | 0 | 0 | 0 | 112.4 | F165 I184 A185 L186 N192 | F165-N188 HydrophobicContact CE1-CB 4.08Å; F165-N188 WeakPolarHBondContact CE1-ND2 3.48Å; F165-N188 HydrophobicContact CE2-CB 3.96Å; F165-N188 HydrophobicContact CZ-CB 3.52Å; I184-N188 WeakPolarHBondContact CG2-ND2 3.35Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 3.47Å; A185-N188 PolarHBondContact O-N 3.01Å; L186-N188 VanDerWaalsContact C-N 3.33Å; L186-N188 PolarHBondContact O-N 2.67Å; N188-N192 WeakPolarHBondContact O-CB 3.37Å; N188-N192 PolarHBondContact O-N 3.22Å; N188-N192 VanDerWaalsContact O-N 3.13Å; N188-N192 PolarHBondContact O-ND2 3.1Å |
| 189 | S | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63 | -50.2 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | F124 W125 L159 A185 L186 M187 | F124-S189 VanDerWaalsContact CE1-CB 3.48Å; F124-S189 WeakPolarHBondContact CZ-O 3.32Å; W125-S189 PolarHBondContact NE1-OG 3.34Å; L159-S189 WeakPolarHBondContact CD1-OG 3.39Å; A185-S189 VanDerWaalsContact O-CB 3.3Å; A185-S189 WeakPolarHBondContact O-CB 3.45Å; A185-S189 PolarHBondContact O-N 3.47Å; A185-S189 PolarHBondContact O-OG 2.77Å; L186-S189 PolarHBondContact O-N 3.1Å; M187-S189 VanDerWaalsContact C-N 3.34Å; M187-S189 PolarHBondContact O-N 2.9Å |
| 190 | V | 84.2 | Confident | 86.2 | Confident | 39 Ų | 39 | 35.6 Ų | 35.6 | 24% | 0.236 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | V101 F105 F124 L186 M187 N192 E193 | V101-V190 HydrophobicContact CG1-CB 4.44Å; V101-V190 HydrophobicContact CG1-CG1 4.4Å; F105-V190 HydrophobicContact CD2-CG2 3.79Å; F105-V190 HydrophobicContact CE2-CG2 4.15Å; F105-V190 HydrophobicContact CG-CG2 4.4Å; F124-V190 HydrophobicContact CD2-CG2 3.94Å; F124-V190 HydrophobicContact CE2-CB 4.47Å; F124-V190 HydrophobicContact CE2-CG2 3.84Å; L186-V190 HydrophobicContact CD1-CG2 3.84Å; L186-V190 HydrophobicContact CG-CG2 4.42Å; L186-V190 WeakPolarHBondContact O-CG2 3.41Å; L186-V190 PolarHBondContact O-N 3.1Å; M187-V190 PolarHBondContact O-N 2.85Å; V190-N192 PolarHBondContact O-N 3.41Å; V190-E193 PolarHBondContact O-N 2.9Å |
| 191 | F | 81.1 | Confident | 86.1 | Confident | 55 Ų | 55 | 39.4 Ų | 39.4 | 24% | 0.241 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | -175.5 | -168.5 | -114.9 | 0 | 0 | 0 | 113 | M187 E193 H194 R197 | M187-F191 WeakPolarHBondContact O-CB 3.5Å; M187-F191 PolarHBondContact O-N 3.43Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 3Å; F191-H194 WeakPolarHBondContact O-CB 3.45Å; F191-H194 PolarHBondContact O-N 3.27Å; F191-R197 HydrophobicContact CD1-CG 4.49Å; F191-R197 WeakPolarHBondContact O-CG 3.46Å |
| 192 | N | 81.4 | Confident | 85.8 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -76.8 | -11.7 | -179.4 | -78.4 | -70.7 | 0 | 0 | 0 | 114.3 | N188 V190 H194 M244 L245 | N188-N192 WeakPolarHBondContact O-CB 3.37Å; N188-N192 PolarHBondContact O-N 3.22Å; N188-N192 VanDerWaalsContact O-N 3.13Å; N188-N192 PolarHBondContact O-ND2 3.1Å; V190-N192 PolarHBondContact O-N 3.41Å; N192-H194 VanDerWaalsContact C-N 3.27Å; N192-M244 WeakPolarHBondContact OD1-CB 3.4Å; N192-L245 HydrophobicContact CB-CD1 3.55Å; N192-L245 HydrophobicContact CB-CG 3.74Å |
| 193 | E | 79.7 | Confident | 85.6 | Confident | 75 Ų | 75 | 46.7 Ų | 46.7 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.2 | 170.8 | -72.2 | -63.5 | 135.3 | 0 | 0 | 113 | F124 K128 V190 F191 | F124-E193 HydrophobicContact CE2-CG 4.22Å; F124-E193 HydrophobicContact CZ-CG 3.56Å; K128-E193 VanDerWaalsContact CE-OE1 3.27Å; K128-E193 WeakPolarHBondContact CE-OE1 3.47Å; K128-E193 IonicContact NZ-OE1 3.77Å; K128-E193 PolarHBondContact NZ-OE1 3.36Å; V190-E193 PolarHBondContact O-N 2.9Å; F191-E193 VanDerWaalsContact C-N 3.29Å; F191-E193 PolarHBondContact O-N 3Å |
| 194 | H | 76.9 | Confident | 85.6 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -64.4 | 132.7 | -176.6 | -166.2 | -88.2 | 0 | 0 | 0 | 110.5 | F191 N192 S196 R197 | F191-H194 WeakPolarHBondContact O-CB 3.45Å; F191-H194 PolarHBondContact O-N 3.27Å; N192-H194 VanDerWaalsContact C-N 3.27Å; H194-S196 PolarHBondContact CE1-OG 2.8Å; H194-S196 WeakPolarHBondContact ND1-CB 3.02Å; H194-S196 PolarHBondContact ND1-N 3.37Å; H194-S196 PolarHBondContact ND1-OG 2.96Å; H194-S196 PolarHBondContact O-N 3.01Å; H194-R197 HydrophobicContact CB-CG 4.26Å; H194-R197 WeakPolarHBondContact O-CA 3.45Å; H194-R197 WeakPolarHBondContact O-CB 3.36Å; H194-R197 PolarHBondContact O-N 3.06Å |
| 195 | P | 74.5 | Confident | 85.6 | Confident | 92 Ų | 92 | 47.1 Ų | 47.1 | 60% | 0.597 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -55.7 | -31.1 | -177.5 | -28.3 | 35.2 | 0 | 0 | 0 | 114.3 | R197 R198 | P195-R197 PolarHBondContact O-N 3.25Å; P195-R198 PolarHBondContact O-N 2.93Å |
| 196 | S | 75.2 | Confident | 85.5 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 57% | 0.566 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -70.1 | -5.9 | 175.3 | 74.6 | 0 | 0 | 0 | 0 | 114.7 | H194 | H194-S196 PolarHBondContact CE1-OG 2.8Å; H194-S196 WeakPolarHBondContact ND1-CB 3.02Å; H194-S196 PolarHBondContact ND1-N 3.37Å; H194-S196 PolarHBondContact ND1-OG 2.96Å; H194-S196 PolarHBondContact O-N 3.01Å |
| 197 | R | 76.8 | Confident | 85.4 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 16% | 0.162 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -104.3 | 11.2 | 176.6 | -61.3 | -59.1 | -172.7 | -167.7 | -1 | 112.9 | L70 F191 H194 P195 | L70-R197 PolarHBondContact O-NH1 3.01Å; L70-R197 PolarHBondContact O-NH2 3.34Å; F191-R197 HydrophobicContact CD1-CG 4.49Å; F191-R197 WeakPolarHBondContact O-CG 3.46Å; H194-R197 HydrophobicContact CB-CG 4.26Å; H194-R197 WeakPolarHBondContact O-CA 3.45Å; H194-R197 WeakPolarHBondContact O-CB 3.36Å; H194-R197 PolarHBondContact O-N 3.06Å; P195-R197 PolarHBondContact O-N 3.25Å |
| 198 | R | 86.6 | Confident | 85.5 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | B | Isolated β-bridge | trans | -80 | 151.9 | 166 | -65 | -175.8 | 177.8 | -79.7 | -6.1 | 110.1 | P195 T200 G241 K242 | P195-R198 PolarHBondContact O-N 2.93Å; R198-T200 PolarHBondContact O-N 3.33Å; R198-G241 WeakPolarHBondContact CD-O 3.48Å; R198-G241 PolarHBondContact NH1-O 3.39Å; R198-K242 WeakPolarHBondContact CA-O 3.33Å |
| 199 | I | 89.3 | Confident | 85.5 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -68.9 | 112.4 | 173 | -62.1 | 171 | 0 | 0 | 0 | 108.3 | F203 I204 L236 N239 K240 G241 K242 F247 | I199-F203 HydrophobicContact CG2-CD1 4.3Å; I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 3.9Å; I199-L236 HydrophobicContact CD1-CD2 4.49Å; I199-L236 HydrophobicContact CG2-CB 4.49Å; I199-N239 HydrophobicContact CD1-CB 3.95Å; I199-N239 WeakPolarHBondContact CD1-O 3.39Å; I199-K240 WeakPolarHBondContact O-CG 3.35Å; I199-G241 PolarHBondContact O-N 3.2Å; I199-K242 PolarHBondContact N-O 3.33Å; I199-F247 HydrophobicContact CD1-CB 3.66Å; I199-F247 HydrophobicContact CD1-CD1 4.26Å; I199-F247 HydrophobicContact CD1-CD2 3.91Å; I199-F247 HydrophobicContact CD1-CG 3.68Å | ||
| 200 | T | 90.3 | Very high | 85.6 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | trans | -115.2 | 164 | 178 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | R198 D202 F203 I204 | R198-T200 PolarHBondContact O-N 3.33Å; T200-D202 VanDerWaalsContact C-N 3.27Å; T200-D202 PolarHBondContact O-N 3.36Å; T200-F203 WeakPolarHBondContact O-CB 3.25Å; T200-F203 PolarHBondContact O-N 2.85Å; T200-F203 WeakPolarHBondContact OG1-CB 3.41Å; T200-F203 PolarHBondContact OG1-N 2.88Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å | ||
| 201 | D | 92.8 | Very high | 85.7 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56 | -44.4 | 175.7 | -61.8 | -50.4 | 0 | 0 | 0 | 111.8 | F203 I204 E205 K240 | D201-F203 PolarHBondContact O-N 3.02Å; D201-I204 WeakPolarHBondContact O-CB 3.46Å; D201-I204 PolarHBondContact O-N 2.91Å; D201-I204 VanDerWaalsContact O-N 3.09Å; D201-E205 PolarHBondContact O-N 2.87Å; D201-K240 VanDerWaalsContact CG-CE 3.48Å; D201-K240 WeakPolarHBondContact OD1-CE 3.35Å; D201-K240 IonicContact OD1-NZ 2.89Å; D201-K240 PolarHBondContact OD1-NZ 2.95Å; D201-K240 VanDerWaalsContact OD2-CE 3.25Å; D201-K240 WeakPolarHBondContact OD2-CE 3.36Å; D201-K240 IonicContact OD2-NZ 3.7Å; D201-K240 PolarHBondContact OD2-NZ 2.89Å |
| 202 | D | 90.8 | Very high | 86 | Confident | 115 Ų | 115 | 57 Ų | 57 | 62% | 0.615 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.5 | -38.3 | 176.4 | -68.4 | -8.8 | 0 | 0 | 0 | 112.4 | T200 K206 | T200-D202 VanDerWaalsContact C-N 3.27Å; T200-D202 PolarHBondContact O-N 3.36Å; D202-K206 WeakPolarHBondContact O-CB 3.35Å; D202-K206 WeakPolarHBondContact O-CD 3.48Å; D202-K206 VanDerWaalsContact O-CG 3.22Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.11Å |
| 203 | F | 89.4 | Confident | 86.2 | Confident | 37 Ų | 37 | 60.1 Ų | 60.1 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 176.6 | 177.3 | -96.3 | 0 | 0 | 0 | 111.4 | L65 L70 I199 T200 D201 K206 S207 L236 M244 | L65-F203 HydrophobicContact CD1-CE1 4.41Å; L65-F203 HydrophobicContact CD1-CZ 3.89Å; L70-F203 HydrophobicContact CD2-CE2 3.97Å; I199-F203 HydrophobicContact CG2-CD1 4.3Å; T200-F203 WeakPolarHBondContact O-CB 3.25Å; T200-F203 PolarHBondContact O-N 2.85Å; T200-F203 WeakPolarHBondContact OG1-CB 3.41Å; T200-F203 PolarHBondContact OG1-N 2.88Å; D201-F203 PolarHBondContact O-N 3.02Å; F203-K206 PolarHBondContact O-N 3.47Å; F203-S207 WeakPolarHBondContact CE1-OG 3.47Å; F203-S207 WeakPolarHBondContact CZ-OG 3.35Å; F203-S207 VanDerWaalsContact O-CB 3.28Å; F203-S207 WeakPolarHBondContact O-CB 3.49Å; F203-S207 PolarHBondContact O-N 2.97Å; F203-S207 PolarHBondContact O-OG 3.15Å; F203-L236 HydrophobicContact CE1-CD2 4.06Å; F203-M244 HydrophobicContact CE1-CE 3.69Å; F203-M244 HydrophobicContact CE2-CE 4.13Å; F203-M244 HydrophobicContact CZ-CE 3.39Å |
| 204 | I | 91.4 | Very high | 86.5 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.7 | -52.8 | 177.7 | -63.5 | 172.3 | 0 | 0 | 0 | 109.7 | I199 T200 D201 K206 S207 V208 R233 L236 E237 | I199-I204 HydrophobicContact CG2-CD1 4.05Å; I199-I204 HydrophobicContact CG2-CG1 3.9Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.37Å; T200-I204 PolarHBondContact O-N 3.48Å; D201-I204 WeakPolarHBondContact O-CB 3.46Å; D201-I204 PolarHBondContact O-N 2.91Å; D201-I204 VanDerWaalsContact O-N 3.09Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.34Å; I204-S207 PolarHBondContact O-N 2.97Å; I204-V208 HydrophobicContact CG2-CG2 4.26Å; I204-V208 WeakPolarHBondContact O-CB 3.24Å; I204-V208 VanDerWaalsContact O-CG2 3.27Å; I204-V208 WeakPolarHBondContact O-CG2 3.25Å; I204-V208 PolarHBondContact O-N 3.3Å; I204-R233 HydrophobicContact CG2-CG 4.15Å; I204-L236 HydrophobicContact CD1-CB 4.27Å; I204-L236 HydrophobicContact CG1-CB 3.83Å; I204-L236 HydrophobicContact CG2-CB 4.32Å; I204-L236 HydrophobicContact CG2-CD1 4.43Å; I204-E237 HydrophobicContact CD1-CB 4.47Å; I204-E237 HydrophobicContact CD1-CG 3.9Å; I204-E237 HydrophobicContact CG2-CG 4.24Å |
| 205 | E | 91.8 | Very high | 86.6 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.8 | -46 | -180 | -72.5 | -65.4 | 135.6 | 0 | 0 | 111.3 | D201 V208 N209 R219 R233 | D201-E205 PolarHBondContact O-N 2.87Å; E205-V208 PolarHBondContact O-N 2.93Å; E205-N209 WeakPolarHBondContact O-CB 3.19Å; E205-N209 PolarHBondContact O-N 3.47Å; E205-N209 PolarHBondContact O-ND2 3.35Å; E205-R219 IonicContact OE2-NH2 2.68Å; E205-R233 IonicContact OE1-CZ 3.39Å; E205-R233 IonicContact OE1-NH2 3.5Å; E205-R233 PolarHBondContact OE1-NH2 2.82Å |
| 206 | K | 89.9 | Confident | 86.6 | Confident | 133 Ų | 133 | 62.2 Ų | 62.2 | 58% | 0.578 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -48 | 176.6 | -73.9 | 171.9 | -174.6 | 174.2 | 0 | 112 | D202 F203 I204 V208 N209 E210 | D202-K206 WeakPolarHBondContact O-CB 3.35Å; D202-K206 WeakPolarHBondContact O-CD 3.48Å; D202-K206 VanDerWaalsContact O-CG 3.22Å; D202-K206 WeakPolarHBondContact O-CG 3.32Å; D202-K206 PolarHBondContact O-N 3.2Å; D202-K206 VanDerWaalsContact O-N 3.11Å; F203-K206 PolarHBondContact O-N 3.47Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.34Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.37Å; K206-N209 PolarHBondContact O-N 3.05Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.41Å |
| 207 | S | 89.2 | Confident | 86.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | -178 | -58 | 0 | 0 | 0 | 0 | 112.4 | F203 I204 A211 | F203-S207 WeakPolarHBondContact CE1-OG 3.47Å; F203-S207 WeakPolarHBondContact CZ-OG 3.35Å; F203-S207 VanDerWaalsContact O-CB 3.28Å; F203-S207 WeakPolarHBondContact O-CB 3.49Å; F203-S207 PolarHBondContact O-N 2.97Å; F203-S207 PolarHBondContact O-OG 3.15Å; I204-S207 PolarHBondContact O-N 2.97Å; S207-A211 PolarHBondContact O-N 2.86Å |
| 208 | V | 89.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -41.5 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I204 E205 K206 A211 L212 A222 I229 R233 | I204-V208 HydrophobicContact CG2-CG2 4.26Å; I204-V208 WeakPolarHBondContact O-CB 3.24Å; I204-V208 VanDerWaalsContact O-CG2 3.27Å; I204-V208 WeakPolarHBondContact O-CG2 3.25Å; I204-V208 PolarHBondContact O-N 3.3Å; E205-V208 PolarHBondContact O-N 2.93Å; K206-V208 VanDerWaalsContact C-N 3.35Å; K206-V208 PolarHBondContact O-N 3.37Å; V208-A211 PolarHBondContact O-N 2.77Å; V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 WeakPolarHBondContact O-CG 3.46Å; V208-L212 PolarHBondContact O-N 3.49Å; V208-A222 HydrophobicContact CG1-CB 3.62Å; V208-I229 HydrophobicContact CG1-CG2 3.99Å; V208-R233 HydrophobicContact CG2-CB 3.78Å; V208-R233 HydrophobicContact CG2-CG 4Å |
| 209 | N | 88.1 | Confident | 85.9 | Confident | 70 Ų | 70 | 64.1 Ų | 64.1 | 37% | 0.374 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 175.4 | -71.9 | -44.6 | 0 | 0 | 0 | 112.2 | E205 K206 A211 L212 A213 | E205-N209 WeakPolarHBondContact O-CB 3.19Å; E205-N209 PolarHBondContact O-N 3.47Å; E205-N209 PolarHBondContact O-ND2 3.35Å; K206-N209 PolarHBondContact O-N 3.05Å; N209-A211 VanDerWaalsContact C-N 3.34Å; N209-L212 PolarHBondContact O-N 3.23Å; N209-A213 WeakPolarHBondContact O-CB 3.41Å; N209-A213 PolarHBondContact O-N 3.42Å |
| 210 | E | 89.3 | Confident | 85.3 | Confident | 83 Ų | 83 | 71.7 Ų | 71.7 | 39% | 0.388 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 172.8 | -76.2 | 177.2 | -158.6 | 0 | 0 | 111.7 | S69 K206 A213 S214 | S69-E210 PolarHBondContact OG-OE2 2.97Å; K206-E210 WeakPolarHBondContact O-CG 3.17Å; K206-E210 PolarHBondContact O-N 3.41Å; E210-A213 PolarHBondContact O-N 3.06Å; E210-S214 WeakPolarHBondContact O-CB 3.27Å; E210-S214 PolarHBondContact O-N 2.91Å; E210-S214 PolarHBondContact O-OG 2.85Å |
| 211 | A | 86.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 72.9 Ų | 72.9 | 8% | 0.083 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S207 V208 N209 A213 S214 F215 F232 | S207-A211 PolarHBondContact O-N 2.86Å; V208-A211 PolarHBondContact O-N 2.77Å; N209-A211 VanDerWaalsContact C-N 3.34Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.77Å; A211-S214 PolarHBondContact O-N 3.46Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.5Å; A211-F215 PolarHBondContact O-N 3.16Å; A211-F215 VanDerWaalsContact O-N 3.08Å; A211-F232 HydrophobicContact CB-CD1 4.45Å |
| 212 | L | 86.1 | Confident | 83.8 | Confident | 15 Ų | 15 | 69 Ų | 69 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 175.4 | -74.6 | 167.9 | 0 | 0 | 0 | 111.6 | V208 N209 S214 F215 N216 G217 N218 A222 I229 | V208-L212 HydrophobicContact CG1-CD1 4.23Å; V208-L212 WeakPolarHBondContact O-CG 3.46Å; V208-L212 PolarHBondContact O-N 3.49Å; N209-L212 PolarHBondContact O-N 3.23Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.21Å; L212-F215 PolarHBondContact O-N 2.88Å; L212-N216 WeakPolarHBondContact O-CA 2.95Å; L212-N216 PolarHBondContact O-N 3.02Å; L212-G217 PolarHBondContact O-N 2.64Å; L212-N218 WeakPolarHBondContact CD2-O 3.12Å; L212-A222 HydrophobicContact CD1-CB 4.04Å; L212-A222 HydrophobicContact CD2-CB 4.27Å; L212-A222 HydrophobicContact CG-CB 4.42Å; L212-I229 HydrophobicContact CD2-CD1 3.59Å; L212-I229 HydrophobicContact CD2-CG2 4.17Å; L212-I229 HydrophobicContact CG-CD1 4.18Å; L212-I229 HydrophobicContact CG-CG2 4.2Å |
| 213 | A | 86.5 | Confident | 83.3 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N209 E210 A211 | N209-A213 WeakPolarHBondContact O-CB 3.41Å; N209-A213 PolarHBondContact O-N 3.42Å; E210-A213 PolarHBondContact O-N 3.06Å; A211-A213 VanDerWaalsContact C-N 3.33Å; A211-A213 PolarHBondContact O-N 2.77Å |
| 214 | S | 85.7 | Confident | 82.8 | Confident | 89 Ų | 89 | 69.6 Ų | 69.6 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71 | -29.7 | -178.9 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | E210 A211 L212 | E210-S214 WeakPolarHBondContact O-CB 3.27Å; E210-S214 PolarHBondContact O-N 2.91Å; E210-S214 PolarHBondContact O-OG 2.85Å; A211-S214 PolarHBondContact O-N 3.46Å; L212-S214 VanDerWaalsContact C-N 3.31Å; L212-S214 PolarHBondContact O-N 3.21Å |
| 215 | F | 78.4 | Confident | 82 | Confident | 76 Ų | 76 | 71.8 Ų | 71.8 | 33% | 0.333 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -107 | 7.8 | -177.6 | -67.9 | -70 | 0 | 0 | 0 | 113.8 | P59 P60 A211 L212 G217 | P59-F215 HydrophobicContact CB-CD1 3.95Å; P59-F215 HydrophobicContact CB-CE1 3.79Å; P59-F215 HydrophobicContact CB-CZ 4.43Å; P60-F215 HydrophobicContact CG-CE1 4.34Å; A211-F215 VanDerWaalsContact O-CD2 3.23Å; A211-F215 WeakPolarHBondContact O-CD2 3.5Å; A211-F215 PolarHBondContact O-N 3.16Å; A211-F215 VanDerWaalsContact O-N 3.08Å; L212-F215 PolarHBondContact O-N 2.88Å; F215-G217 PolarHBondContact O-N 3.17Å |
| 216 | N | 75.6 | Confident | 81.3 | Confident | 153 Ų | 153 | 73.6 Ų | 73.6 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 34.3 | -171.4 | -65.5 | 98.4 | 0 | 0 | 0 | 112.8 | L212 | L212-N216 WeakPolarHBondContact O-CA 2.95Å; L212-N216 PolarHBondContact O-N 3.02Å |
| 217 | G | 68.2 | Low | 81 | Confident | 16 Ų | 16 | 68.4 Ų | 68.4 | 17% | 0.165 | 37% | 0.368 | C | S | . | . | trans | -83.2 | 158.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L212 F215 E221 | L212-G217 PolarHBondContact O-N 2.64Å; F215-G217 PolarHBondContact O-N 3.17Å; G217-E221 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 218 | N | 76.4 | Confident | 80.6 | Confident | 109 Ų | 109 | 70 Ų | 70 | 58% | 0.583 | 39% | 0.385 | S | S | * | . | trans | -98.8 | 155.3 | 177.4 | -74.3 | -6.8 | 0 | 0 | 0 | 111.6 | L212 E220 E221 | L212-N218 WeakPolarHBondContact CD2-O 3.12Å; N218-E220 PolarHBondContact O-N 3.09Å; N218-E220 VanDerWaalsContact O-N 3.15Å; N218-E221 VanDerWaalsContact O-CB 3.3Å; N218-E221 WeakPolarHBondContact O-CB 3.35Å; N218-E221 PolarHBondContact O-N 3.02Å | ||
| 219 | R | 78.3 | Confident | 80.4 | Confident | 144 Ų | 144 | 70.5 Ų | 70.5 | 54% | 0.543 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.5 | -32.5 | -178.5 | -165.9 | 168.3 | 178.9 | 101.9 | 3.6 | 113.2 | E205 E221 A222 D223 | E205-R219 IonicContact OE2-NH2 2.68Å; R219-E221 PolarHBondContact O-N 3.11Å; R219-A222 WeakPolarHBondContact O-CB 3.4Å; R219-A222 PolarHBondContact O-N 3.01Å; R219-A222 VanDerWaalsContact O-N 3.1Å; R219-D223 PolarHBondContact O-N 3.25Å |
| 220 | E | 77.4 | Confident | 80.3 | Confident | 161 Ų | 161 | 67.4 Ų | 67.4 | 75% | 0.752 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -60.7 | -29.5 | 173.9 | -65 | 177.5 | 176.6 | 0 | 0 | 113.2 | N218 N224 | N218-E220 PolarHBondContact O-N 3.09Å; N218-E220 VanDerWaalsContact O-N 3.15Å; E220-N224 WeakPolarHBondContact O-CB 3.3Å; E220-N224 PolarHBondContact O-N 3.08Å |
| 221 | E | 77.2 | Confident | 80.1 | Confident | 85 Ų | 85 | 64 Ų | 64 | 40% | 0.397 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -69.6 | -40.1 | 175.1 | -61.4 | -177.4 | 159 | 0 | 0 | 110.7 | G217 N218 R219 D223 N224 T227 | G217-E221 WeakPolarHBondContact CA-OE2 3.34Å; N218-E221 VanDerWaalsContact O-CB 3.3Å; N218-E221 WeakPolarHBondContact O-CB 3.35Å; N218-E221 PolarHBondContact O-N 3.02Å; R219-E221 PolarHBondContact O-N 3.11Å; E221-D223 VanDerWaalsContact C-N 3.27Å; E221-D223 PolarHBondContact O-N 2.89Å; E221-N224 PolarHBondContact O-N 3.11Å; E221-T227 HydrophobicContact CB-CG2 4.07Å; E221-T227 WeakPolarHBondContact O-CB 3.47Å; E221-T227 WeakPolarHBondContact O-CG2 3.35Å; E221-T227 PolarHBondContact O-OG1 3.45Å |
| 222 | A | 75 | Confident | 80 | Confident | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.2 | -27.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V208 L212 R219 I229 G230 | V208-A222 HydrophobicContact CG1-CB 3.62Å; L212-A222 HydrophobicContact CD1-CB 4.04Å; L212-A222 HydrophobicContact CD2-CB 4.27Å; L212-A222 HydrophobicContact CG-CB 4.42Å; R219-A222 WeakPolarHBondContact O-CB 3.4Å; R219-A222 PolarHBondContact O-N 3.01Å; R219-A222 VanDerWaalsContact O-N 3.1Å; A222-I229 HydrophobicContact CB-CG2 3.75Å; A222-G230 WeakPolarHBondContact O-CA 3.49Å |
| 223 | D | 79.1 | Confident | 80.2 | Confident | 99 Ų | 99 | 65.3 Ų | 65.3 | 53% | 0.529 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -85.4 | -13.4 | 176.9 | -65.1 | -32.8 | 0 | 0 | 0 | 112.6 | R219 E221 P225 R233 | R219-D223 PolarHBondContact O-N 3.25Å; E221-D223 VanDerWaalsContact C-N 3.27Å; E221-D223 PolarHBondContact O-N 2.89Å; D223-P225 WeakPolarHBondContact O-CD 3.48Å; D223-R233 IonicContact OD1-CZ 2.73Å; D223-R233 IonicContact OD1-NH1 2.74Å; D223-R233 PolarHBondContact OD1-NH1 3.36Å |
| 224 | N | 79.9 | Confident | 80.2 | Confident | 66 Ų | 66 | 65.8 Ų | 65.8 | 35% | 0.353 | 35% | 0.349 | S | S | . | . | trans | -94.6 | 110.9 | 178.2 | -179.8 | -2 | 0 | 0 | 0 | 111.2 | E220 E221 N226 T227 G230 | E220-N224 WeakPolarHBondContact O-CB 3.3Å; E220-N224 PolarHBondContact O-N 3.08Å; E221-N224 PolarHBondContact O-N 3.11Å; N224-N226 PolarHBondContact O-N 3.22Å; N224-N226 VanDerWaalsContact OD1-CB 3.26Å; N224-N226 WeakPolarHBondContact OD1-CB 3.23Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N224-N226 PolarHBondContact OD1-ND2 3.09Å; N224-T227 HydrophobicContact CB-CG2 3.83Å; N224-T227 PolarHBondContact O-N 3.29Å; N224-T227 PolarHBondContact O-OG1 2.95Å; N224-T227 VanDerWaalsContact O-OG1 3.11Å; N224-G230 WeakPolarHBondContact O-CA 3.12Å | ||
| 225 | P | 73.6 | Confident | 80.3 | Confident | 49 Ų | 49 | 62.5 Ų | 62.5 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.8 | -178.9 | 27 | -35 | 0 | 0 | 0 | 113.4 | D223 T227 | D223-P225 WeakPolarHBondContact O-CD 3.48Å; P225-T227 VanDerWaalsContact C-N 3.29Å |
| 226 | N | 77 | Confident | 80.9 | Confident | 98 Ų | 98 | 58.9 Ų | 58.9 | 52% | 0.524 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 2.9 | 174.4 | -58.8 | -53.8 | 0 | 0 | 0 | 113.4 | N224 R273 | N224-N226 PolarHBondContact O-N 3.22Å; N224-N226 VanDerWaalsContact OD1-CB 3.26Å; N224-N226 WeakPolarHBondContact OD1-CB 3.23Å; N224-N226 PolarHBondContact OD1-N 3.12Å; N224-N226 PolarHBondContact OD1-ND2 3.09Å; N226-R273 PolarHBondContact O-NE 3.35Å; N226-R273 VanDerWaalsContact O-NE 3.13Å; N226-R273 PolarHBondContact O-NH1 3.27Å; N226-R273 PolarHBondContact O-NH2 3.17Å |
| 227 | T | 84 | Confident | 81.6 | Confident | 25 Ų | 25 | 55.8 Ų | 55.8 | 15% | 0.153 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -102.4 | 165.3 | 172.3 | 79.7 | 0 | 0 | 0 | 0 | 111.3 | E221 N224 P225 I229 G230 A231 R273 | E221-T227 HydrophobicContact CB-CG2 4.07Å; E221-T227 WeakPolarHBondContact O-CB 3.47Å; E221-T227 WeakPolarHBondContact O-CG2 3.35Å; E221-T227 PolarHBondContact O-OG1 3.45Å; N224-T227 HydrophobicContact CB-CG2 3.83Å; N224-T227 PolarHBondContact O-N 3.29Å; N224-T227 PolarHBondContact O-OG1 2.95Å; N224-T227 VanDerWaalsContact O-OG1 3.11Å; P225-T227 VanDerWaalsContact C-N 3.29Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact OG1-N 3.34Å; T227-G230 PolarHBondContact OG1-N 2.94Å; T227-A231 WeakPolarHBondContact O-CB 3.3Å; T227-A231 PolarHBondContact O-N 2.99Å; T227-R273 PolarHBondContact O-NH1 2.85Å |
| 228 | G | 80.1 | Confident | 82.5 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | F232 | G228-F232 WeakPolarHBondContact O-CB 3.47Å; G228-F232 PolarHBondContact O-N 3.15Å |
| 229 | I | 85.8 | Confident | 83 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.077 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -72.4 | -42.1 | 179.8 | -57.8 | -179.8 | 0 | 0 | 0 | 110.6 | V208 L212 A222 T227 F232 R233 | V208-I229 HydrophobicContact CG1-CG2 3.99Å; L212-I229 HydrophobicContact CD2-CD1 3.59Å; L212-I229 HydrophobicContact CD2-CG2 4.17Å; L212-I229 HydrophobicContact CG-CD1 4.18Å; L212-I229 HydrophobicContact CG-CG2 4.2Å; A222-I229 HydrophobicContact CB-CG2 3.75Å; T227-I229 VanDerWaalsContact C-N 3.27Å; T227-I229 PolarHBondContact OG1-N 3.34Å; I229-F232 WeakPolarHBondContact O-CB 3.49Å; I229-F232 PolarHBondContact O-N 3.42Å; I229-R233 PolarHBondContact O-N 3.02Å |
| 230 | G | 85.8 | Confident | 83.7 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A222 N224 T227 R233 F234 | A222-G230 WeakPolarHBondContact O-CA 3.49Å; N224-G230 WeakPolarHBondContact O-CA 3.12Å; T227-G230 PolarHBondContact OG1-N 2.94Å; G230-R233 PolarHBondContact O-N 2.93Å; G230-F234 WeakPolarHBondContact O-CB 3.43Å; G230-F234 PolarHBondContact O-N 3.42Å |
| 231 | A | 84.4 | Confident | 84.2 | Confident | 13 Ų | 13 | 45.7 Ų | 45.7 | 11% | 0.107 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T227 F234 M235 L277 | T227-A231 WeakPolarHBondContact O-CB 3.3Å; T227-A231 PolarHBondContact O-N 2.99Å; A231-F234 PolarHBondContact O-N 3.41Å; A231-M235 WeakPolarHBondContact O-CG 3Å; A231-M235 PolarHBondContact O-N 2.65Å; A231-L277 HydrophobicContact CB-CD1 4.16Å |
| 232 | F | 86.5 | Confident | 84.7 | Confident | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.039 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.9 | 178 | -120.1 | 0 | 0 | 0 | 112.3 | P62 A211 G228 I229 M235 L236 | P62-F232 HydrophobicContact CG-CD2 3.89Å; P62-F232 HydrophobicContact CG-CE2 3.98Å; P62-F232 HydrophobicContact CG-CG 4.26Å; P62-F232 HydrophobicContact CG-CZ 4.41Å; A211-F232 HydrophobicContact CB-CD1 4.45Å; G228-F232 WeakPolarHBondContact O-CB 3.47Å; G228-F232 PolarHBondContact O-N 3.15Å; I229-F232 WeakPolarHBondContact O-CB 3.49Å; I229-F232 PolarHBondContact O-N 3.42Å; F232-M235 HydrophobicContact CB-CE 4.39Å; F232-M235 HydrophobicContact CD2-CE 4.15Å; F232-M235 WeakPolarHBondContact O-CB 3.41Å; F232-M235 PolarHBondContact O-N 2.82Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CE1-CD1 3.74Å; F232-L236 HydrophobicContact CE2-CD1 4.12Å; F232-L236 HydrophobicContact CE2-CD2 4.44Å; F232-L236 HydrophobicContact CE2-CG 4.22Å; F232-L236 HydrophobicContact CZ-CD1 3.7Å; F232-L236 HydrophobicContact CZ-CD2 4.5Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.49Å; F232-L236 PolarHBondContact O-N 3.32Å; F232-L236 VanDerWaalsContact O-N 3.1Å |
| 233 | R | 89.2 | Confident | 85.1 | Confident | 43 Ų | 43 | 45 Ų | 45 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 173.2 | -177.4 | -179.2 | -170.9 | 164.6 | 11.3 | 111.5 | I204 E205 V208 D223 I229 G230 M235 L236 E237 | I204-R233 HydrophobicContact CG2-CG 4.15Å; E205-R233 IonicContact OE1-CZ 3.39Å; E205-R233 IonicContact OE1-NH2 3.5Å; E205-R233 PolarHBondContact OE1-NH2 2.82Å; V208-R233 HydrophobicContact CG2-CB 3.78Å; V208-R233 HydrophobicContact CG2-CG 4Å; D223-R233 IonicContact OD1-CZ 2.73Å; D223-R233 IonicContact OD1-NH1 2.74Å; D223-R233 PolarHBondContact OD1-NH1 3.36Å; I229-R233 PolarHBondContact O-N 3.02Å; G230-R233 PolarHBondContact O-N 2.93Å; R233-M235 VanDerWaalsContact C-N 3.28Å; R233-M235 PolarHBondContact O-N 3.41Å; R233-L236 PolarHBondContact O-N 3.49Å; R233-E237 HydrophobicContact CG-CG 4.3Å; R233-E237 WeakPolarHBondContact CG-OE1 3.45Å; R233-E237 IonicContact CZ-OE1 2.63Å; R233-E237 IonicContact NE-OE1 2.61Å; R233-E237 PolarHBondContact NE-OE1 2.98Å; R233-E237 WeakPolarHBondContact O-CG 3.26Å; R233-E237 PolarHBondContact O-N 3.03Å |
| 234 | F | 87 | Confident | 85.1 | Confident | 85 Ų | 85 | 40.8 Ų | 40.8 | 37% | 0.373 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.5 | -40.6 | 178.8 | 177.6 | -90.5 | 0 | 0 | 0 | 112.3 | G230 A231 L236 E237 S238 L277 | G230-F234 WeakPolarHBondContact O-CB 3.43Å; G230-F234 PolarHBondContact O-N 3.42Å; A231-F234 PolarHBondContact O-N 3.41Å; F234-L236 PolarHBondContact O-N 2.89Å; F234-E237 PolarHBondContact O-N 2.94Å; F234-S238 VanDerWaalsContact O-CB 3.31Å; F234-S238 WeakPolarHBondContact O-CB 3.33Å; F234-S238 PolarHBondContact O-N 3.18Å; F234-S238 PolarHBondContact O-OG 2.8Å; F234-L277 HydrophobicContact CD1-CD1 3.77Å; F234-L277 HydrophobicContact CE1-CB 4.4Å; F234-L277 HydrophobicContact CE1-CD1 4.28Å |
| 235 | M | 88 | Confident | 84.9 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -43.5 | 175 | -77.7 | -170.2 | -64.6 | 0 | 0 | 112.1 | A231 F232 R233 N239 F247 M251 F254 L277 | A231-M235 WeakPolarHBondContact O-CG 3Å; A231-M235 PolarHBondContact O-N 2.65Å; F232-M235 HydrophobicContact CB-CE 4.39Å; F232-M235 HydrophobicContact CD2-CE 4.15Å; F232-M235 WeakPolarHBondContact O-CB 3.41Å; F232-M235 PolarHBondContact O-N 2.82Å; R233-M235 VanDerWaalsContact C-N 3.28Å; R233-M235 PolarHBondContact O-N 3.41Å; M235-N239 PolarHBondContact O-N 2.86Å; M235-N239 PolarHBondContact O-ND2 3.36Å; M235-F247 HydrophobicContact CB-CE2 4.19Å; M235-F247 HydrophobicContact CB-CZ 4.39Å; M235-M251 HydrophobicContact CE-SD 4.44Å; M235-F254 HydrophobicContact SD-CD2 4.05Å; M235-F254 HydrophobicContact SD-CE2 4.2Å; M235-F254 HydrophobicContact SD-CG 4.42Å; M235-L277 HydrophobicContact CG-CD2 3.35Å; M235-L277 HydrophobicContact SD-CD2 3.53Å; M235-L277 VanDerWaalsContact SD-CD2 3.53Å |
| 236 | L | 89.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.1 | -44.5 | 178.4 | -66.7 | 168.2 | 0 | 0 | 0 | 111.7 | I199 F203 I204 F232 R233 F234 S238 N239 K240 F247 | I199-L236 HydrophobicContact CD1-CD2 4.49Å; I199-L236 HydrophobicContact CG2-CB 4.49Å; F203-L236 HydrophobicContact CE1-CD2 4.06Å; I204-L236 HydrophobicContact CD1-CB 4.27Å; I204-L236 HydrophobicContact CG1-CB 3.83Å; I204-L236 HydrophobicContact CG2-CB 4.32Å; I204-L236 HydrophobicContact CG2-CD1 4.43Å; F232-L236 HydrophobicContact CD1-CD1 4.2Å; F232-L236 HydrophobicContact CE1-CD1 3.74Å; F232-L236 HydrophobicContact CE2-CD1 4.12Å; F232-L236 HydrophobicContact CE2-CD2 4.44Å; F232-L236 HydrophobicContact CE2-CG 4.22Å; F232-L236 HydrophobicContact CZ-CD1 3.7Å; F232-L236 HydrophobicContact CZ-CD2 4.5Å; F232-L236 HydrophobicContact CZ-CG 4.28Å; F232-L236 WeakPolarHBondContact O-CG 3.49Å; F232-L236 PolarHBondContact O-N 3.32Å; F232-L236 VanDerWaalsContact O-N 3.1Å; R233-L236 PolarHBondContact O-N 3.49Å; F234-L236 PolarHBondContact O-N 2.89Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.4Å; L236-N239 CarbonylContact O-C 3.43Å; L236-N239 PolarHBondContact O-N 2.73Å; L236-K240 PolarHBondContact O-N 3.42Å; L236-F247 HydrophobicContact CD2-CD1 4.24Å; L236-F247 HydrophobicContact CD2-CE1 3.53Å; L236-F247 HydrophobicContact CD2-CE2 4.1Å; L236-F247 HydrophobicContact CD2-CZ 3.46Å; L236-F247 VanDerWaalsContact CD2-CZ 3.46Å; L236-F247 HydrophobicContact CG-CZ 4.09Å |
| 237 | E | 90.3 | Very high | 85.6 | Confident | 88 Ų | 88 | 36.6 Ų | 36.6 | 41% | 0.411 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 177.2 | -72.7 | 175.1 | 178.1 | 0 | 0 | 111.6 | I204 R233 F234 N239 K240 | I204-E237 HydrophobicContact CD1-CB 4.47Å; I204-E237 HydrophobicContact CD1-CG 3.9Å; I204-E237 HydrophobicContact CG2-CG 4.24Å; R233-E237 HydrophobicContact CG-CG 4.3Å; R233-E237 WeakPolarHBondContact CG-OE1 3.45Å; R233-E237 IonicContact CZ-OE1 2.63Å; R233-E237 IonicContact NE-OE1 2.61Å; R233-E237 PolarHBondContact NE-OE1 2.98Å; R233-E237 WeakPolarHBondContact O-CG 3.26Å; R233-E237 PolarHBondContact O-N 3.03Å; F234-E237 PolarHBondContact O-N 2.94Å; E237-N239 PolarHBondContact O-N 2.86Å; E237-K240 WeakPolarHBondContact O-CB 3.24Å; E237-K240 PolarHBondContact O-N 3.42Å |
| 238 | S | 87.9 | Confident | 85.6 | Confident | 66 Ų | 66 | 37.4 Ų | 37.4 | 46% | 0.462 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -13.8 | 177.6 | -58.9 | 0 | 0 | 0 | 0 | 113.9 | F234 L236 | F234-S238 VanDerWaalsContact O-CB 3.31Å; F234-S238 WeakPolarHBondContact O-CB 3.33Å; F234-S238 PolarHBondContact O-N 3.18Å; F234-S238 PolarHBondContact O-OG 2.8Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.4Å |
| 239 | N | 87.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.048 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 18.5 | 180 | -70.5 | -78.5 | 0 | 0 | 0 | 112.5 | I199 M235 L236 E237 G241 K242 F247 L250 | I199-N239 HydrophobicContact CD1-CB 3.95Å; I199-N239 WeakPolarHBondContact CD1-O 3.39Å; M235-N239 PolarHBondContact O-N 2.86Å; M235-N239 PolarHBondContact O-ND2 3.36Å; L236-N239 CarbonylContact O-C 3.43Å; L236-N239 PolarHBondContact O-N 2.73Å; E237-N239 PolarHBondContact O-N 2.86Å; N239-G241 PolarHBondContact O-N 2.8Å; N239-K242 HydrophobicContact CB-CD 4.08Å; N239-K242 VanDerWaalsContact O-CB 3.27Å; N239-K242 WeakPolarHBondContact O-CB 3.46Å; N239-K242 WeakPolarHBondContact O-CG 3.4Å; N239-K242 PolarHBondContact O-N 3.39Å; N239-K242 VanDerWaalsContact O-N 3.07Å; N239-K242 WeakPolarHBondContact OD1-CD 3.2Å; N239-K242 WeakPolarHBondContact OD1-CE 3.33Å; N239-K242 PolarHBondContact OD1-NZ 2.86Å; N239-F247 HydrophobicContact CB-CD2 3.82Å; N239-F247 HydrophobicContact CB-CE2 4.37Å; N239-L250 WeakPolarHBondContact ND2-CD2 3.46Å |
| 240 | K | 91.5 | Very high | 85.9 | Confident | 109 Ų | 109 | 37 Ų | 37 | 47% | 0.474 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 137.4 | 176.8 | -169.4 | 176.4 | 179.4 | 178.6 | 0 | 111.6 | I199 D201 L236 E237 K242 | I199-K240 WeakPolarHBondContact O-CG 3.35Å; D201-K240 VanDerWaalsContact CG-CE 3.48Å; D201-K240 WeakPolarHBondContact OD1-CE 3.35Å; D201-K240 IonicContact OD1-NZ 2.89Å; D201-K240 PolarHBondContact OD1-NZ 2.95Å; D201-K240 VanDerWaalsContact OD2-CE 3.25Å; D201-K240 WeakPolarHBondContact OD2-CE 3.36Å; D201-K240 IonicContact OD2-NZ 3.7Å; D201-K240 PolarHBondContact OD2-NZ 2.89Å; L236-K240 PolarHBondContact O-N 3.42Å; E237-K240 WeakPolarHBondContact O-CB 3.24Å; E237-K240 PolarHBondContact O-N 3.42Å; K240-K242 PolarHBondContact O-N 2.91Å |
| 241 | G | 88.1 | Confident | 86 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 35% | 0.351 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -16.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R198 I199 N239 | R198-G241 WeakPolarHBondContact CD-O 3.48Å; R198-G241 PolarHBondContact NH1-O 3.39Å; I199-G241 PolarHBondContact O-N 3.2Å; N239-G241 PolarHBondContact O-N 2.8Å |
| 242 | K | 87.8 | Confident | 86.3 | Confident | 70 Ų | 70 | 37 Ų | 37 | 30% | 0.304 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -72.1 | 155 | 172.3 | -59.8 | -172.2 | -173.3 | 171.9 | 0 | 111.1 | R198 I199 N239 K240 E246 | R198-K242 WeakPolarHBondContact CA-O 3.33Å; I199-K242 PolarHBondContact N-O 3.33Å; N239-K242 HydrophobicContact CB-CD 4.08Å; N239-K242 VanDerWaalsContact O-CB 3.27Å; N239-K242 WeakPolarHBondContact O-CB 3.46Å; N239-K242 WeakPolarHBondContact O-CG 3.4Å; N239-K242 PolarHBondContact O-N 3.39Å; N239-K242 VanDerWaalsContact O-N 3.07Å; N239-K242 WeakPolarHBondContact OD1-CD 3.2Å; N239-K242 WeakPolarHBondContact OD1-CE 3.33Å; N239-K242 PolarHBondContact OD1-NZ 2.86Å; K240-K242 PolarHBondContact O-N 2.91Å; K242-E246 HydrophobicContact CB-CB 4.21Å; K242-E246 HydrophobicContact CD-CB 4.46Å |
| 243 | S | 82.8 | Confident | 86.6 | Confident | 6 Ų | 6 | 36.6 Ų | 36.6 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | B | Isolated β-bridge | trans | -72 | 157.6 | 171.1 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | L245 E246 F247 | S243-L245 PolarHBondContact O-N 3.31Å; S243-E246 WeakPolarHBondContact CB-OE2 3.2Å; S243-E246 PolarHBondContact N-OE2 2.8Å; S243-E246 PolarHBondContact O-N 3.49Å; S243-E246 WeakPolarHBondContact OG-CG 3.4Å; S243-E246 PolarHBondContact OG-N 2.94Å; S243-E246 PolarHBondContact OG-OE2 3.26Å; S243-F247 PolarHBondContact O-N 3.32Å; S243-F247 VanDerWaalsContact O-N 3.15Å |
| 244 | M | 79.6 | Confident | 86.7 | Confident | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.049 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.2 | -33.9 | 176.4 | -169.4 | 57.4 | 62.2 | 0 | 0 | 112.4 | L65 N192 F203 F247 Q248 | L65-M244 HydrophobicContact CD1-CE 3.8Å; L65-M244 HydrophobicContact CD1-SD 3.64Å; N192-M244 WeakPolarHBondContact OD1-CB 3.4Å; F203-M244 HydrophobicContact CE1-CE 3.69Å; F203-M244 HydrophobicContact CE2-CE 4.13Å; F203-M244 HydrophobicContact CZ-CE 3.39Å; M244-F247 PolarHBondContact O-N 3.45Å; M244-F247 HydrophobicContact SD-CD1 4.02Å; M244-Q248 HydrophobicContact CG-CG 4.41Å; M244-Q248 WeakPolarHBondContact O-CB 3.36Å; M244-Q248 VanDerWaalsContact O-CG 3.23Å; M244-Q248 WeakPolarHBondContact O-CG 3.47Å; M244-Q248 PolarHBondContact O-N 2.83Å |
| 245 | L | 76.3 | Confident | 87 | Confident | 15 Ų | 15 | 32.1 Ų | 32.1 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.9 | -68.2 | 172.5 | 0 | 0 | 0 | 112.1 | S163 N192 S243 F247 Q248 | S163-L245 WeakPolarHBondContact OG-CD2 3.38Å; N192-L245 HydrophobicContact CB-CD1 3.55Å; N192-L245 HydrophobicContact CB-CG 3.74Å; S243-L245 PolarHBondContact O-N 3.31Å; L245-F247 VanDerWaalsContact C-N 3.33Å; L245-Q248 PolarHBondContact O-N 2.9Å |
| 246 | E | 80.1 | Confident | 87.4 | Confident | 108 Ų | 108 | 31.2 Ų | 31.2 | 51% | 0.505 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.3 | -38.6 | 176.2 | -69.8 | 164 | 117.1 | 0 | 0 | 111.3 | K242 S243 | K242-E246 HydrophobicContact CB-CB 4.21Å; K242-E246 HydrophobicContact CD-CB 4.46Å; S243-E246 WeakPolarHBondContact CB-OE2 3.2Å; S243-E246 PolarHBondContact N-OE2 2.8Å; S243-E246 PolarHBondContact O-N 3.49Å; S243-E246 WeakPolarHBondContact OG-CG 3.4Å; S243-E246 PolarHBondContact OG-N 2.94Å; S243-E246 PolarHBondContact OG-OE2 3.26Å |
| 247 | F | 84.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -70.5 | -31.5 | 175.8 | -176.4 | -111.6 | 0 | 0 | 0 | 112.9 | I199 M235 L236 N239 S243 M244 L245 E249 L250 M251 | I199-F247 HydrophobicContact CD1-CB 3.66Å; I199-F247 HydrophobicContact CD1-CD1 4.26Å; I199-F247 HydrophobicContact CD1-CD2 3.91Å; I199-F247 HydrophobicContact CD1-CG 3.68Å; M235-F247 HydrophobicContact CB-CE2 4.19Å; M235-F247 HydrophobicContact CB-CZ 4.39Å; L236-F247 HydrophobicContact CD2-CD1 4.24Å; L236-F247 HydrophobicContact CD2-CE1 3.53Å; L236-F247 HydrophobicContact CD2-CE2 4.1Å; L236-F247 HydrophobicContact CD2-CZ 3.46Å; L236-F247 VanDerWaalsContact CD2-CZ 3.46Å; L236-F247 HydrophobicContact CG-CZ 4.09Å; N239-F247 HydrophobicContact CB-CD2 3.82Å; N239-F247 HydrophobicContact CB-CE2 4.37Å; S243-F247 PolarHBondContact O-N 3.32Å; S243-F247 VanDerWaalsContact O-N 3.15Å; M244-F247 PolarHBondContact O-N 3.45Å; M244-F247 HydrophobicContact SD-CD1 4.02Å; L245-F247 VanDerWaalsContact C-N 3.33Å; F247-E249 VanDerWaalsContact C-N 3.25Å; F247-E249 PolarHBondContact O-N 3.22Å; F247-L250 HydrophobicContact CE2-CD2 4.35Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.46Å; F247-M251 HydrophobicContact CD1-CG 3.77Å; F247-M251 HydrophobicContact CE1-CG 3.39Å; F247-M251 HydrophobicContact CE1-SD 3.62Å; F247-M251 HydrophobicContact CE2-CG 4.5Å; F247-M251 HydrophobicContact CE2-SD 4.42Å; F247-M251 HydrophobicContact CG-CG 4.46Å; F247-M251 HydrophobicContact CZ-CG 3.8Å; F247-M251 HydrophobicContact CZ-SD 3.54Å; F247-M251 VanDerWaalsContact CZ-SD 3.54Å; F247-M251 PolarHBondContact O-N 2.81Å |
| 248 | Q | 84.6 | Confident | 87.7 | Confident | 42 Ų | 42 | 30.3 Ų | 30.3 | 20% | 0.196 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.9 | -30.4 | 178.9 | -85.4 | 175 | 8.8 | 0 | 0 | 113.2 | M244 L245 M251 T252 | M244-Q248 HydrophobicContact CG-CG 4.41Å; M244-Q248 WeakPolarHBondContact O-CB 3.36Å; M244-Q248 VanDerWaalsContact O-CG 3.23Å; M244-Q248 WeakPolarHBondContact O-CG 3.47Å; M244-Q248 PolarHBondContact O-N 2.83Å; L245-Q248 PolarHBondContact O-N 2.9Å; Q248-M251 PolarHBondContact O-N 3.49Å; Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.08Å |
| 249 | E | 84.3 | Confident | 88 | Confident | 32 Ų | 32 | 29.2 Ų | 29.2 | 15% | 0.15 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.5 | -49.6 | 175.2 | 172.7 | 64.1 | 147.2 | 0 | 0 | 111 | F247 M251 T252 V253 L285 R330 | F247-E249 VanDerWaalsContact C-N 3.25Å; F247-E249 PolarHBondContact O-N 3.22Å; E249-M251 VanDerWaalsContact C-N 3.3Å; E249-M251 PolarHBondContact O-N 3.14Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 VanDerWaalsContact O-N 3.15Å; E249-V253 PolarHBondContact O-N 3.49Å; E249-V253 VanDerWaalsContact O-N 3.09Å; E249-L285 PolarHBondContact OE1-N 3.13Å; E249-R330 VanDerWaalsContact CD-CZ 3.4Å; E249-R330 VanDerWaalsContact CD-NH1 3.33Å; E249-R330 IonicContact OE1-CZ 3.4Å; E249-R330 IonicContact OE1-NH1 2.98Å; E249-R330 IonicContact OE1-NH2 2.8Å; E249-R330 PolarHBondContact OE1-NH2 3.36Å; E249-R330 IonicContact OE2-CZ 3.74Å; E249-R330 IonicContact OE2-NE 3.76Å; E249-R330 PolarHBondContact OE2-NE 3.38Å; E249-R330 IonicContact OE2-NH1 3.55Å; E249-R330 PolarHBondContact OE2-NH1 3.12Å; E249-R330 IonicContact OE2-NH2 3.78Å; E249-R330 PolarHBondContact OE2-NH2 3.03Å |
| 250 | L | 87.4 | Confident | 88.3 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.068 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 176.3 | -176.9 | 60.7 | 0 | 0 | 0 | 111.1 | N239 F247 T252 V253 F254 Y280 | N239-L250 WeakPolarHBondContact ND2-CD2 3.46Å; F247-L250 HydrophobicContact CE2-CD2 4.35Å; F247-L250 WeakPolarHBondContact O-CB 3.47Å; F247-L250 PolarHBondContact O-N 3.46Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.41Å; L250-V253 PolarHBondContact O-N 3.35Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CG-CD2 4.14Å; L250-F254 HydrophobicContact CG-CE2 4.27Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.11Å; L250-F254 VanDerWaalsContact O-N 3.1Å; L250-Y280 WeakPolarHBondContact CD1-O 3.48Å |
| 251 | M | 88 | Confident | 88.3 | Confident | 14 Ų | 14 | 24.5 Ų | 24.5 | 7% | 0.069 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 177.3 | -70.7 | -57.8 | -57.4 | 0 | 0 | 112.4 | P62 M235 F247 Q248 E249 F254 Q255 | P62-M251 HydrophobicContact CG-CE 4.42Å; M235-M251 HydrophobicContact CE-SD 4.44Å; F247-M251 HydrophobicContact CD1-CG 3.77Å; F247-M251 HydrophobicContact CE1-CG 3.39Å; F247-M251 HydrophobicContact CE1-SD 3.62Å; F247-M251 HydrophobicContact CE2-CG 4.5Å; F247-M251 HydrophobicContact CE2-SD 4.42Å; F247-M251 HydrophobicContact CG-CG 4.46Å; F247-M251 HydrophobicContact CZ-CG 3.8Å; F247-M251 HydrophobicContact CZ-SD 3.54Å; F247-M251 VanDerWaalsContact CZ-SD 3.54Å; F247-M251 PolarHBondContact O-N 2.81Å; Q248-M251 PolarHBondContact O-N 3.49Å; E249-M251 VanDerWaalsContact C-N 3.3Å; E249-M251 PolarHBondContact O-N 3.14Å; M251-F254 PolarHBondContact O-N 3.01Å; M251-Q255 WeakPolarHBondContact O-CB 3.5Å; M251-Q255 WeakPolarHBondContact O-CG 3.22Å; M251-Q255 PolarHBondContact O-N 2.64Å |
| 252 | T | 91.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.025 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.6 | -58.4 | 0 | 0 | 0 | 0 | 110.8 | Q248 E249 L250 F254 Q255 L256 R330 F331 | Q248-T252 WeakPolarHBondContact O-CB 3.43Å; Q248-T252 PolarHBondContact O-N 3.11Å; Q248-T252 PolarHBondContact O-OG1 3.08Å; E249-T252 WeakPolarHBondContact O-CB 3.23Å; E249-T252 PolarHBondContact O-N 3.41Å; E249-T252 VanDerWaalsContact O-N 3.15Å; L250-T252 VanDerWaalsContact C-N 3.32Å; L250-T252 PolarHBondContact O-N 3.41Å; T252-F254 PolarHBondContact O-N 2.8Å; T252-Q255 PolarHBondContact O-N 3.25Å; T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.4Å; T252-R330 HydrophobicContact CG2-CG 4.16Å; T252-F331 HydrophobicContact CG2-CB 4.33Å |
| 253 | V | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.9 | -49.7 | 175.6 | 165.8 | 0 | 0 | 0 | 0 | 111.2 | E249 L250 Q255 L256 L257 Y280 L285 M289 | E249-V253 PolarHBondContact O-N 3.49Å; E249-V253 VanDerWaalsContact O-N 3.09Å; L250-V253 PolarHBondContact O-N 3.35Å; V253-Q255 PolarHBondContact O-N 2.98Å; V253-L256 PolarHBondContact O-N 2.9Å; V253-L257 HydrophobicContact CG1-CD1 3.8Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 3.33Å; V253-Y280 HydrophobicContact CG1-CD1 4.03Å; V253-Y280 HydrophobicContact CG1-CG 4.38Å; V253-L285 HydrophobicContact CG2-CB 4.12Å; V253-L285 HydrophobicContact CG2-CD1 4.49Å; V253-M289 HydrophobicContact CG1-CE 3.66Å; V253-M289 HydrophobicContact CG2-CE 4.31Å |
| 254 | F | 91.6 | Very high | 89.1 | Confident | 20 Ų | 20 | 28 Ų | 28 | 9% | 0.088 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -37.1 | -179.8 | -88.9 | -79.4 | 0 | 0 | 0 | 113.2 | M235 L250 M251 T252 L256 L257 H258 L263 V276 L277 Y280 | M235-F254 HydrophobicContact SD-CD2 4.05Å; M235-F254 HydrophobicContact SD-CE2 4.2Å; M235-F254 HydrophobicContact SD-CG 4.42Å; L250-F254 HydrophobicContact CD1-CD2 3.85Å; L250-F254 HydrophobicContact CD1-CE2 3.64Å; L250-F254 HydrophobicContact CG-CD2 4.14Å; L250-F254 HydrophobicContact CG-CE2 4.27Å; L250-F254 WeakPolarHBondContact O-CD2 3.36Å; L250-F254 PolarHBondContact O-N 3.11Å; L250-F254 VanDerWaalsContact O-N 3.1Å; M251-F254 PolarHBondContact O-N 3.01Å; T252-F254 PolarHBondContact O-N 2.8Å; F254-L256 VanDerWaalsContact C-N 3.35Å; F254-L257 PolarHBondContact O-N 3.38Å; F254-H258 WeakPolarHBondContact O-CB 3.49Å; F254-H258 PolarHBondContact O-N 3.04Å; F254-L263 HydrophobicContact CD1-CD1 4.31Å; F254-L263 HydrophobicContact CD1-CD2 4.26Å; F254-L263 HydrophobicContact CE1-CD2 4.28Å; F254-V276 HydrophobicContact CE1-CG1 3.94Å; F254-V276 HydrophobicContact CZ-CG1 4.34Å; F254-L277 HydrophobicContact CE1-CD2 4.08Å; F254-L277 HydrophobicContact CE2-CD2 4.11Å; F254-L277 HydrophobicContact CZ-CD2 3.63Å; F254-L277 HydrophobicContact CZ-CG 4.45Å; F254-Y280 HydrophobicContact CZ-CD2 4.49Å |
| 255 | Q | 92.8 | Very high | 89.7 | Confident | 14 Ų | 14 | 29.3 Ų | 29.3 | 7% | 0.065 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.6 | -73.7 | 169.4 | -6.4 | 0 | 0 | 111.4 | M251 T252 V253 H258 W259 F331 | M251-Q255 WeakPolarHBondContact O-CB 3.5Å; M251-Q255 WeakPolarHBondContact O-CG 3.22Å; M251-Q255 PolarHBondContact O-N 2.64Å; T252-Q255 PolarHBondContact O-N 3.25Å; V253-Q255 PolarHBondContact O-N 2.98Å; Q255-H258 PolarHBondContact O-N 3.04Å; Q255-W259 VanDerWaalsContact O-CB 3.25Å; Q255-W259 WeakPolarHBondContact O-CB 3.28Å; Q255-W259 PolarHBondContact O-N 3.26Å; Q255-F331 HydrophobicContact CB-CD2 3.65Å; Q255-F331 HydrophobicContact CB-CE2 3.52Å; Q255-F331 HydrophobicContact CB-CG 4.48Å; Q255-F331 HydrophobicContact CB-CZ 4.25Å |
| 256 | L | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.5 | -44.7 | 176.2 | -71.4 | 169.7 | 0 | 0 | 0 | 112.1 | T252 V253 F254 H258 W259 N260 L285 M293 F331 E334 K335 I338 | T252-L256 HydrophobicContact CG2-CD1 4.08Å; T252-L256 WeakPolarHBondContact O-CG 3.4Å; T252-L256 PolarHBondContact O-N 3.4Å; V253-L256 PolarHBondContact O-N 2.9Å; F254-L256 VanDerWaalsContact C-N 3.35Å; L256-H258 PolarHBondContact O-N 3.34Å; L256-W259 HydrophobicContact CD2-CE3 3.87Å; L256-W259 HydrophobicContact CD2-CZ3 4.14Å; L256-W259 PolarHBondContact O-N 2.96Å; L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 2.95Å; L256-N260 PolarHBondContact O-OD1 2.97Å; L256-L285 HydrophobicContact CD1-CD1 3.82Å; L256-L285 HydrophobicContact CD1-CD2 3.43Å; L256-L285 VanDerWaalsContact CD1-CD2 3.43Å; L256-L285 HydrophobicContact CD1-CG 4.3Å; L256-M293 HydrophobicContact CB-CE 3.83Å; L256-M293 HydrophobicContact CB-SD 3.97Å; L256-F331 HydrophobicContact CD2-CD2 3.89Å; L256-F331 HydrophobicContact CD2-CE2 3.78Å; L256-F331 HydrophobicContact CG-CD2 3.98Å; L256-F331 HydrophobicContact CG-CE2 4.07Å; L256-E334 HydrophobicContact CD1-CB 3.82Å; L256-E334 HydrophobicContact CD1-CG 4.49Å; L256-E334 HydrophobicContact CD2-CB 4.28Å; L256-K335 HydrophobicContact CD2-CG 3.84Å; L256-I338 HydrophobicContact CD1-CD1 4.33Å; L256-I338 HydrophobicContact CD2-CD1 4.17Å |
| 257 | L | 93.8 | Very high | 90.9 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -32.6 | 175.6 | -71.9 | 169.5 | 0 | 0 | 0 | 112.4 | V253 F254 N260 S262 L263 M266 Y280 M293 | V253-L257 HydrophobicContact CG1-CD1 3.8Å; V253-L257 HydrophobicContact CG1-CG 4.36Å; V253-L257 WeakPolarHBondContact O-CG 3.45Å; V253-L257 PolarHBondContact O-N 3.33Å; F254-L257 PolarHBondContact O-N 3.38Å; L257-N260 VanDerWaalsContact C-OD1 3.3Å; L257-N260 WeakPolarHBondContact CA-OD1 3.38Å; L257-N260 PolarHBondContact O-OD1 3.19Å; L257-S262 PolarHBondContact O-N 2.91Å; L257-L263 HydrophobicContact CB-CD1 4.49Å; L257-L263 HydrophobicContact CB-CD2 3.91Å; L257-L263 HydrophobicContact CB-CG 3.78Å; L257-L263 HydrophobicContact CD1-CD2 4.35Å; L257-L263 PolarHBondContact O-N 3.27Å; L257-M266 HydrophobicContact CD2-CE 4.41Å; L257-Y280 HydrophobicContact CD1-CD1 3.85Å; L257-Y280 HydrophobicContact CD1-CD2 3.68Å; L257-Y280 HydrophobicContact CD1-CE1 3.8Å; L257-Y280 HydrophobicContact CD1-CE2 3.65Å; L257-Y280 HydrophobicContact CD1-CG 3.79Å; L257-Y280 HydrophobicContact CD2-CE1 4.2Å; L257-Y280 HydrophobicContact CD2-CE2 4.47Å; L257-M293 HydrophobicContact CD2-CE 3.65Å; L257-M293 HydrophobicContact CG-CE 3.91Å |
| 258 | H | 92 | Very high | 91.3 | Very high | 65 Ų | 65 | 36 Ų | 36 | 30% | 0.301 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.1 | -51.8 | 173.6 | -179.6 | -113.6 | 0 | 0 | 0 | 111 | P61 F254 Q255 L256 N260 G261 L263 | P61-H258 WeakPolarHBondContact CD-CE1 3.5Å; P61-H258 WeakPolarHBondContact CD-ND1 3.36Å; P61-H258 HydrophobicContact CG-CB 3.94Å; P61-H258 WeakPolarHBondContact CG-ND1 3.34Å; F254-H258 WeakPolarHBondContact O-CB 3.49Å; F254-H258 PolarHBondContact O-N 3.04Å; Q255-H258 PolarHBondContact O-N 3.04Å; L256-H258 PolarHBondContact O-N 3.34Å; H258-N260 PolarHBondContact O-N 2.87Å; H258-G261 PolarHBondContact O-N 3.09Å; H258-L263 HydrophobicContact CB-CD1 3.8Å; H258-L263 HydrophobicContact CB-CG 4.48Å |
| 259 | W | 95.3 | Very high | 91.7 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 16% | 0.163 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | -177.8 | 163.4 | 69.6 | 0 | 0 | 0 | 112.3 | Q255 L256 G261 W297 E311 F331 K335 I338 L339 | Q255-W259 VanDerWaalsContact O-CB 3.25Å; Q255-W259 WeakPolarHBondContact O-CB 3.28Å; Q255-W259 PolarHBondContact O-N 3.26Å; L256-W259 HydrophobicContact CD2-CE3 3.87Å; L256-W259 HydrophobicContact CD2-CZ3 4.14Å; L256-W259 PolarHBondContact O-N 2.96Å; W259-G261 PolarHBondContact O-N 3.21Å; W259-W297 HydrophobicContact CD2-CZ2 4.17Å; W259-W297 AromaticContact CE2-CZ2 3.46Å; W259-W297 VanDerWaalsContact CE2-CZ2 3.46Å; W259-W297 AromaticContact CH2-CE2 3.7Å; W259-W297 AromaticContact CH2-CZ2 3.91Å; W259-W297 HydrophobicContact CH2-CZ2 3.91Å; W259-W297 AromaticContact CH2-NE1 3.15Å; W259-W297 AromaticContact CZ2-CE2 3.6Å; W259-W297 HydrophobicContact CZ2-CH2 4.28Å; W259-W297 AromaticContact CZ2-CZ2 3.32Å; W259-W297 HydrophobicContact CZ2-CZ2 3.32Å; W259-W297 AromaticContact CZ2-NE1 3.58Å; W259-W297 AromaticContact CZ3-NE1 3.47Å; W259-W297 AromaticContact NE1-CZ2 3.78Å; W259-E311 HydrophobicContact CZ2-CG 3.85Å; W259-E311 PolarHBondContact NE1-OE1 3.43Å; W259-F331 HydrophobicContact CB-CE2 4.5Å; W259-F331 HydrophobicContact CB-CZ 4.34Å; W259-K335 HydrophobicContact CD2-CD 4.01Å; W259-K335 HydrophobicContact CD2-CG 3.79Å; W259-K335 VanDerWaalsContact CE2-CE 3.43Å; W259-K335 HydrophobicContact CE3-CG 3.87Å; W259-K335 HydrophobicContact CG-CD 4.18Å; W259-K335 HydrophobicContact CG-CG 4.41Å; W259-K335 HydrophobicContact CH2-CB 4.05Å; W259-K335 HydrophobicContact CH2-CG 4Å; W259-K335 HydrophobicContact CZ2-CB 4.14Å; W259-K335 HydrophobicContact CZ2-CD 4.32Å; W259-K335 HydrophobicContact CZ2-CG 3.94Å; W259-K335 HydrophobicContact CZ3-CB 4.37Å; W259-K335 HydrophobicContact CZ3-CG 3.97Å; W259-K335 VanDerWaalsContact NE1-CE 3.3Å; W259-I338 HydrophobicContact CH2-CG2 4.39Å; W259-I338 HydrophobicContact CZ3-CD1 4.37Å; W259-I338 HydrophobicContact CZ3-CG2 4.25Å; W259-L339 HydrophobicContact CH2-CD1 4.29Å; W259-L339 HydrophobicContact CH2-CD2 4.15Å; W259-L339 HydrophobicContact CH2-CG 3.92Å; W259-L339 HydrophobicContact CZ2-CD1 4.02Å; W259-L339 HydrophobicContact CZ2-CD2 4.12Å; W259-L339 HydrophobicContact CZ2-CG 4.06Å |
| 260 | N | 94 | Very high | 92 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -0.2 | 178.3 | 92.5 | -49.2 | 0 | 0 | 0 | 112.3 | L256 L257 H258 S262 M293 D296 R300 | L256-N260 WeakPolarHBondContact O-CB 3.38Å; L256-N260 PolarHBondContact O-N 2.95Å; L256-N260 PolarHBondContact O-OD1 2.97Å; L257-N260 VanDerWaalsContact C-OD1 3.3Å; L257-N260 WeakPolarHBondContact CA-OD1 3.38Å; L257-N260 PolarHBondContact O-OD1 3.19Å; H258-N260 PolarHBondContact O-N 2.87Å; N260-S262 VanDerWaalsContact C-N 3.35Å; N260-S262 PolarHBondContact ND2-OG 3.19Å; N260-S262 PolarHBondContact O-N 3.18Å; N260-S262 WeakPolarHBondContact OD1-CB 3.37Å; N260-S262 PolarHBondContact OD1-N 3.46Å; N260-S262 VanDerWaalsContact OD1-N 3.14Å; N260-S262 PolarHBondContact OD1-OG 2.96Å; N260-S262 VanDerWaalsContact OD1-OG 3.11Å; N260-M293 HydrophobicContact CB-CG 4.44Å; N260-D296 PolarHBondContact ND2-OD2 3.02Å; N260-D296 VanDerWaalsContact ND2-OD2 3.11Å; N260-R300 PolarHBondContact O-NH1 3Å; N260-R300 PolarHBondContact O-NH2 3.06Å |
| 261 | G | 92.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 52 Ų | 52 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 79.8 | 1.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | H258 W259 L263 K264 A265 | H258-G261 PolarHBondContact O-N 3.09Å; W259-G261 PolarHBondContact O-N 3.21Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 2.92Å; G261-K264 WeakPolarHBondContact O-CB 3.27Å; G261-K264 PolarHBondContact O-N 3.03Å; G261-A265 PolarHBondContact O-N 3.24Å; G261-A265 VanDerWaalsContact O-N 3.09Å |
| 262 | S | 92.7 | Very high | 92.2 | Very high | 19 Ų | 19 | 53.3 Ų | 53.3 | 13% | 0.133 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -36.1 | 177.7 | -65.6 | 0 | 0 | 0 | 0 | 112.7 | L257 N260 K264 A265 M266 D296 | L257-S262 PolarHBondContact O-N 2.91Å; N260-S262 VanDerWaalsContact C-N 3.35Å; N260-S262 PolarHBondContact ND2-OG 3.19Å; N260-S262 PolarHBondContact O-N 3.18Å; N260-S262 WeakPolarHBondContact OD1-CB 3.37Å; N260-S262 PolarHBondContact OD1-N 3.46Å; N260-S262 VanDerWaalsContact OD1-N 3.14Å; N260-S262 PolarHBondContact OD1-OG 2.96Å; N260-S262 VanDerWaalsContact OD1-OG 3.11Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.99Å; S262-A265 PolarHBondContact O-N 3.43Å; S262-M266 WeakPolarHBondContact O-CE 3.4Å; S262-M266 WeakPolarHBondContact O-CG 3.11Å; S262-M266 PolarHBondContact O-N 3.43Å; S262-D296 PolarHBondContact OG-OD2 3.42Å |
| 263 | L | 91.9 | Very high | 91.9 | Very high | 38 Ų | 38 | 57.9 Ų | 57.9 | 20% | 0.199 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.1 | -34.8 | 174 | -67.5 | -172.3 | 0 | 0 | 0 | 112.6 | F254 L257 H258 G261 M266 R267 V276 | F254-L263 HydrophobicContact CD1-CD1 4.31Å; F254-L263 HydrophobicContact CD1-CD2 4.26Å; F254-L263 HydrophobicContact CE1-CD2 4.28Å; L257-L263 HydrophobicContact CB-CD1 4.49Å; L257-L263 HydrophobicContact CB-CD2 3.91Å; L257-L263 HydrophobicContact CB-CG 3.78Å; L257-L263 HydrophobicContact CD1-CD2 4.35Å; L257-L263 PolarHBondContact O-N 3.27Å; H258-L263 HydrophobicContact CB-CD1 3.8Å; H258-L263 HydrophobicContact CB-CG 4.48Å; G261-L263 VanDerWaalsContact C-N 3.29Å; G261-L263 PolarHBondContact O-N 2.92Å; L263-M266 HydrophobicContact CD2-CE 3.75Å; L263-R267 PolarHBondContact O-N 3.04Å; L263-V276 HydrophobicContact CD2-CG1 3.96Å |
| 264 | K | 91 | Very high | 91.4 | Very high | 128 Ų | 128 | 63 Ų | 63 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68 | -46.8 | 175.6 | -177.1 | -176.4 | 172.8 | -173.6 | 0 | 110.2 | G261 S262 M266 R267 E268 | G261-K264 WeakPolarHBondContact O-CB 3.27Å; G261-K264 PolarHBondContact O-N 3.03Å; S262-K264 VanDerWaalsContact C-N 3.27Å; S262-K264 PolarHBondContact O-N 2.99Å; K264-M266 PolarHBondContact O-N 3.38Å; K264-R267 WeakPolarHBondContact O-CB 3.35Å; K264-R267 PolarHBondContact O-N 3.37Å; K264-E268 WeakPolarHBondContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.89Å |
| 265 | A | 91.1 | Very high | 91.2 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 30% | 0.298 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G261 S262 R267 E268 R269 | G261-A265 PolarHBondContact O-N 3.24Å; G261-A265 VanDerWaalsContact O-N 3.09Å; S262-A265 PolarHBondContact O-N 3.43Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.38Å; A265-E268 PolarHBondContact O-N 2.81Å; A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 3Å; A265-R269 VanDerWaalsContact O-N 3.08Å |
| 266 | M | 92.8 | Very high | 91.1 | Very high | 32 Ų | 32 | 67.9 Ų | 67.9 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 175 | -77.5 | -175.4 | -83.7 | 0 | 0 | 111.9 | L257 S262 L263 K264 R269 Q270 C271 V276 Y280 | L257-M266 HydrophobicContact CD2-CE 4.41Å; S262-M266 WeakPolarHBondContact O-CE 3.4Å; S262-M266 WeakPolarHBondContact O-CG 3.11Å; S262-M266 PolarHBondContact O-N 3.43Å; L263-M266 HydrophobicContact CD2-CE 3.75Å; K264-M266 PolarHBondContact O-N 3.38Å; M266-R269 CarbonylContact O-C 3.53Å; M266-R269 PolarHBondContact O-N 3.22Å; M266-Q270 PolarHBondContact O-N 3.19Å; M266-C271 HydrophobicContact CB-CB 4Å; M266-C271 WeakPolarHBondContact O-CB 3.41Å; M266-C271 PolarHBondContact O-N 3.08Å; M266-C271 PolarHBondContact O-SG 2.81Å; M266-V276 HydrophobicContact CB-CG2 4.38Å; M266-V276 HydrophobicContact CE-CG1 4.25Å; M266-V276 HydrophobicContact SD-CG1 4.21Å; M266-V276 HydrophobicContact SD-CG2 3.83Å; M266-Y280 HydrophobicContact CE-CE2 3.89Å; M266-Y280 HydrophobicContact SD-CE2 4.05Å |
| 267 | R | 89.4 | Confident | 90.7 | Very high | 107 Ų | 107 | 68.6 Ų | 68.6 | 40% | 0.404 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.3 | -173.2 | -165.2 | -48.5 | 174.5 | 6.7 | 112.2 | P58 L263 K264 A265 R269 Q270 | P58-R267 VanDerWaalsContact CG-NH1 3.28Å; L263-R267 PolarHBondContact O-N 3.04Å; K264-R267 WeakPolarHBondContact O-CB 3.35Å; K264-R267 PolarHBondContact O-N 3.37Å; A265-R267 VanDerWaalsContact C-N 3.31Å; A265-R267 PolarHBondContact O-N 3.38Å; R267-R269 PolarHBondContact O-N 2.94Å; R267-Q270 PolarHBondContact O-N 2.94Å |
| 268 | E | 92.8 | Very high | 90.3 | Very high | 127 Ų | 127 | 71.7 Ų | 71.7 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.1 | -32 | 177.9 | -71.5 | 168.1 | 179.7 | 0 | 0 | 111.7 | K264 A265 Q270 | K264-E268 WeakPolarHBondContact CE-OE1 3.32Å; K264-E268 WeakPolarHBondContact O-CG 3.21Å; K264-E268 PolarHBondContact O-N 2.89Å; A265-E268 PolarHBondContact O-N 2.81Å; E268-Q270 PolarHBondContact O-N 3.4Å |
| 269 | R | 93.9 | Very high | 90.2 | Very high | 203 Ų | 203 | 74 Ų | 74 | 77% | 0.766 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 7.6 | 172.8 | -64.8 | 177 | -175.1 | -177.6 | 2.2 | 114.4 | A265 M266 R267 C271 | A265-R269 WeakPolarHBondContact O-CG 3.44Å; A265-R269 PolarHBondContact O-N 3Å; A265-R269 VanDerWaalsContact O-N 3.08Å; M266-R269 CarbonylContact O-C 3.53Å; M266-R269 PolarHBondContact O-N 3.22Å; R267-R269 PolarHBondContact O-N 2.94Å; R269-C271 PolarHBondContact O-N 3.49Å |
| 270 | Q | 90.7 | Very high | 89.9 | Confident | 165 Ų | 165 | 73.2 Ų | 73.2 | 77% | 0.771 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 26.8 | -179.1 | -52.8 | -60.5 | -47.3 | 0 | 0 | 114.4 | M266 R267 E268 S272 | M266-Q270 PolarHBondContact O-N 3.19Å; R267-Q270 PolarHBondContact O-N 2.94Å; E268-Q270 PolarHBondContact O-N 3.4Å; Q270-S272 PolarHBondContact O-N 2.96Å |
| 271 | C | 90.6 | Very high | 89.4 | Confident | 53 Ų | 53 | 75 Ų | 75 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -65.3 | 129.5 | 168.2 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | M266 R269 V276 | M266-C271 HydrophobicContact CB-CB 4Å; M266-C271 WeakPolarHBondContact O-CB 3.41Å; M266-C271 PolarHBondContact O-N 3.08Å; M266-C271 PolarHBondContact O-SG 2.81Å; R269-C271 PolarHBondContact O-N 3.49Å; C271-V276 HydrophobicContact CB-CG2 3.98Å | ||
| 272 | S | 87.5 | Confident | 88.8 | Confident | 43 Ų | 43 | 81.3 Ų | 81.3 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | trans | -72.2 | 155.3 | 176.3 | 73 | 0 | 0 | 0 | 0 | 110.8 | Q270 Q274 E275 V276 | Q270-S272 PolarHBondContact O-N 2.96Å; S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 2.96Å; S272-E275 VanDerWaalsContact CB-OE2 3.3Å; S272-E275 WeakPolarHBondContact CB-OE2 3.4Å; S272-E275 PolarHBondContact N-OE2 2.78Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 WeakPolarHBondContact OG-CG 3.23Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.17Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; S272-V276 WeakPolarHBondContact O-CG2 3.48Å; S272-V276 PolarHBondContact O-N 3.34Å; S272-V276 VanDerWaalsContact O-N 3.12Å | ||
| 273 | R | 85.4 | Confident | 88.4 | Confident | 99 Ų | 99 | 84 Ų | 84 | 37% | 0.374 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 177.1 | -62.8 | 180 | -165.5 | -156.9 | 2.6 | 111.5 | N226 T227 V276 L277 | N226-R273 PolarHBondContact O-NE 3.35Å; N226-R273 VanDerWaalsContact O-NE 3.13Å; N226-R273 PolarHBondContact O-NH1 3.27Å; N226-R273 PolarHBondContact O-NH2 3.17Å; T227-R273 PolarHBondContact O-NH1 2.85Å; R273-V276 PolarHBondContact O-N 3.3Å; R273-L277 VanDerWaalsContact O-CB 3.31Å; R273-L277 WeakPolarHBondContact O-CB 3.4Å; R273-L277 WeakPolarHBondContact O-CD1 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.32Å; R273-L277 PolarHBondContact O-N 3Å |
| 274 | Q | 82.8 | Confident | 88 | Confident | 107 Ų | 107 | 83.8 Ų | 83.8 | 50% | 0.5 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.7 | -42.5 | 179 | -69.2 | 179.4 | -10 | 0 | 0 | 111.9 | S272 L277 A278 | S272-Q274 VanDerWaalsContact C-N 3.26Å; S272-Q274 PolarHBondContact O-N 2.96Å; Q274-L277 PolarHBondContact O-N 3.46Å; Q274-A278 VanDerWaalsContact O-CB 3.29Å; Q274-A278 WeakPolarHBondContact O-CB 3.32Å; Q274-A278 PolarHBondContact O-N 3.43Å |
| 275 | E | 88.1 | Confident | 87.9 | Confident | 122 Ų | 122 | 78.1 Ų | 78.1 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.3 | -45.1 | 175.2 | -72.3 | 161.6 | 145.9 | 0 | 0 | 111.6 | S272 L277 A278 H279 | S272-E275 VanDerWaalsContact CB-OE2 3.3Å; S272-E275 WeakPolarHBondContact CB-OE2 3.4Å; S272-E275 PolarHBondContact N-OE2 2.78Å; S272-E275 PolarHBondContact O-N 3.33Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 WeakPolarHBondContact OG-CG 3.23Å; S272-E275 PolarHBondContact OG-N 3.24Å; S272-E275 VanDerWaalsContact OG-N 3.17Å; S272-E275 PolarHBondContact OG-OE2 3.4Å; E275-L277 PolarHBondContact O-N 3.45Å; E275-A278 PolarHBondContact O-N 3.01Å; E275-H279 WeakPolarHBondContact O-CB 3.39Å; E275-H279 PolarHBondContact O-N 2.83Å |
| 276 | V | 89.7 | Confident | 87.8 | Confident | 16 Ų | 16 | 78.9 Ų | 78.9 | 10% | 0.097 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.3 | 176.9 | 0 | 0 | 0 | 0 | 110.5 | F254 L263 M266 C271 S272 R273 H279 Y280 | F254-V276 HydrophobicContact CE1-CG1 3.94Å; F254-V276 HydrophobicContact CZ-CG1 4.34Å; L263-V276 HydrophobicContact CD2-CG1 3.96Å; M266-V276 HydrophobicContact CB-CG2 4.38Å; M266-V276 HydrophobicContact CE-CG1 4.25Å; M266-V276 HydrophobicContact SD-CG1 4.21Å; M266-V276 HydrophobicContact SD-CG2 3.83Å; C271-V276 HydrophobicContact CB-CG2 3.98Å; S272-V276 WeakPolarHBondContact O-CG2 3.48Å; S272-V276 PolarHBondContact O-N 3.34Å; S272-V276 VanDerWaalsContact O-N 3.12Å; R273-V276 PolarHBondContact O-N 3.3Å; V276-H279 PolarHBondContact O-N 3.38Å; V276-Y280 HydrophobicContact CG1-CD2 3.85Å; V276-Y280 HydrophobicContact CG1-CE2 4.09Å; V276-Y280 VanDerWaalsContact O-CD2 3.28Å; V276-Y280 WeakPolarHBondContact O-CD2 3.22Å; V276-Y280 PolarHBondContact O-N 3.39Å; V276-Y280 VanDerWaalsContact O-N 3.1Å |
| 277 | L | 86.6 | Confident | 87.8 | Confident | 14 Ų | 14 | 82.7 Ų | 82.7 | 7% | 0.073 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 177 | -72.3 | 168.5 | 0 | 0 | 0 | 111.7 | A231 F234 M235 F254 R273 Q274 E275 H279 Y280 S281 | A231-L277 HydrophobicContact CB-CD1 4.16Å; F234-L277 HydrophobicContact CD1-CD1 3.77Å; F234-L277 HydrophobicContact CE1-CB 4.4Å; F234-L277 HydrophobicContact CE1-CD1 4.28Å; M235-L277 HydrophobicContact CG-CD2 3.35Å; M235-L277 HydrophobicContact SD-CD2 3.53Å; M235-L277 VanDerWaalsContact SD-CD2 3.53Å; F254-L277 HydrophobicContact CE1-CD2 4.08Å; F254-L277 HydrophobicContact CE2-CD2 4.11Å; F254-L277 HydrophobicContact CZ-CD2 3.63Å; F254-L277 HydrophobicContact CZ-CG 4.45Å; R273-L277 VanDerWaalsContact O-CB 3.31Å; R273-L277 WeakPolarHBondContact O-CB 3.4Å; R273-L277 WeakPolarHBondContact O-CD1 3.28Å; R273-L277 WeakPolarHBondContact O-CG 3.32Å; R273-L277 PolarHBondContact O-N 3Å; Q274-L277 PolarHBondContact O-N 3.46Å; E275-L277 PolarHBondContact O-N 3.45Å; L277-H279 VanDerWaalsContact C-N 3.33Å; L277-H279 PolarHBondContact O-N 2.94Å; L277-Y280 PolarHBondContact O-N 3.33Å; L277-S281 WeakPolarHBondContact O-CA 3.4Å; L277-S281 WeakPolarHBondContact O-CB 3.17Å; L277-S281 PolarHBondContact O-N 3.36Å; L277-S281 PolarHBondContact O-OG 3.24Å |
| 278 | A | 86.4 | Confident | 88.1 | Confident | 70 Ų | 70 | 83.2 Ų | 83.2 | 58% | 0.579 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -64.2 | -36.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q274 E275 S281 | Q274-A278 VanDerWaalsContact O-CB 3.29Å; Q274-A278 WeakPolarHBondContact O-CB 3.32Å; Q274-A278 PolarHBondContact O-N 3.43Å; E275-A278 PolarHBondContact O-N 3.01Å; A278-S281 PolarHBondContact O-OG 3.44Å |
| 279 | H | 88.9 | Confident | 88.1 | Confident | 113 Ų | 113 | 77.6 Ų | 77.6 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 179.6 | -174.7 | 73.4 | 0 | 0 | 0 | 112.9 | E275 V276 L277 | E275-H279 WeakPolarHBondContact O-CB 3.39Å; E275-H279 PolarHBondContact O-N 2.83Å; V276-H279 PolarHBondContact O-N 3.38Å; L277-H279 VanDerWaalsContact C-N 3.33Å; L277-H279 PolarHBondContact O-N 2.94Å |
| 280 | Y | 89 | Confident | 88.2 | Confident | 27 Ų | 27 | 70.3 Ų | 70.3 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -98.1 | -11.2 | -176.2 | -67.7 | -72.5 | 0 | 0 | 0 | 114.5 | L250 V253 F254 L257 M266 V276 L277 H282 R283 M289 | L250-Y280 WeakPolarHBondContact CD1-O 3.48Å; V253-Y280 HydrophobicContact CG1-CD1 4.03Å; V253-Y280 HydrophobicContact CG1-CG 4.38Å; F254-Y280 HydrophobicContact CZ-CD2 4.49Å; L257-Y280 HydrophobicContact CD1-CD1 3.85Å; L257-Y280 HydrophobicContact CD1-CD2 3.68Å; L257-Y280 HydrophobicContact CD1-CE1 3.8Å; L257-Y280 HydrophobicContact CD1-CE2 3.65Å; L257-Y280 HydrophobicContact CD1-CG 3.79Å; L257-Y280 HydrophobicContact CD2-CE1 4.2Å; L257-Y280 HydrophobicContact CD2-CE2 4.47Å; M266-Y280 HydrophobicContact CE-CE2 3.89Å; M266-Y280 HydrophobicContact SD-CE2 4.05Å; V276-Y280 HydrophobicContact CG1-CD2 3.85Å; V276-Y280 HydrophobicContact CG1-CE2 4.09Å; V276-Y280 VanDerWaalsContact O-CD2 3.28Å; V276-Y280 WeakPolarHBondContact O-CD2 3.22Å; V276-Y280 PolarHBondContact O-N 3.39Å; V276-Y280 VanDerWaalsContact O-N 3.1Å; L277-Y280 PolarHBondContact O-N 3.33Å; Y280-H282 PolarHBondContact O-N 3.07Å; Y280-H282 VanDerWaalsContact O-N 3.11Å; Y280-R283 PolarHBondContact O-N 3.43Å; Y280-M289 HydrophobicContact CD1-CE 4.08Å; Y280-M289 HydrophobicContact CE1-CE 3.91Å; Y280-M289 HydrophobicContact CE1-SD 4.39Å |
| 281 | S | 83.9 | Confident | 88.5 | Confident | 38 Ų | 38 | 65.5 Ų | 65.5 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.8 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | L277 A278 | L277-S281 WeakPolarHBondContact O-CA 3.4Å; L277-S281 WeakPolarHBondContact O-CB 3.17Å; L277-S281 PolarHBondContact O-N 3.36Å; L277-S281 PolarHBondContact O-OG 3.24Å; A278-S281 PolarHBondContact O-OG 3.44Å |
| 282 | H | 79.8 | Confident | 88.7 | Confident | 151 Ų | 151 | 68.5 Ų | 68.5 | 70% | 0.699 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119 | 3.2 | -177.9 | -58.9 | -59.9 | 0 | 0 | 0 | 113.3 | Y280 | Y280-H282 PolarHBondContact O-N 3.07Å; Y280-H282 VanDerWaalsContact O-N 3.11Å |
| 283 | R | 84.4 | Confident | 89.1 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 28% | 0.283 | 34% | 0.338 | S | S | . | . | trans | -92.5 | 118.8 | -178.3 | -166.2 | 172.2 | 179.8 | 177.3 | -2.8 | 109.7 | Y280 D286 M289 | Y280-R283 PolarHBondContact O-N 3.43Å; R283-D286 IonicContact CZ-OD2 3.79Å; R283-D286 IonicContact NE-OD2 2.89Å; R283-D286 PolarHBondContact NE-OD2 3.33Å; R283-D286 IonicContact NH2-OD1 2.85Å; R283-D286 PolarHBondContact NH2-OD1 2.77Å; R283-D286 IonicContact NH2-OD2 3.89Å; R283-D286 PolarHBondContact NH2-OD2 2.74Å; R283-D286 VanDerWaalsContact NH2-OD2 3.11Å; R283-M289 HydrophobicContact CG-SD 3.83Å; R283-M289 PolarHBondContact NE-SD 3.46Å; R283-M289 VanDerWaalsContact NE-SD 3.43Å | ||
| 284 | A | 84.2 | Confident | 89.7 | Confident | 34 Ų | 34 | 62 Ų | 62 | 28% | 0.281 | 32% | 0.32 | S | S | . | . | trans | -75 | 160.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | D286 | A284-D286 PolarHBondContact O-N 2.9Š| ||
| 285 | L | 87.9 | Confident | 90.3 | Very high | 9 Ų | 9 | 58.2 Ų | 58.2 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | trans | -71.3 | 93.7 | 173.5 | -170 | 66.7 | 0 | 0 | 0 | 110.1 | E249 V253 L256 M289 R290 E334 | E249-L285 PolarHBondContact OE1-N 3.13Å; V253-L285 HydrophobicContact CG2-CB 4.12Å; V253-L285 HydrophobicContact CG2-CD1 4.49Å; L256-L285 HydrophobicContact CD1-CD1 3.82Å; L256-L285 HydrophobicContact CD1-CD2 3.43Å; L256-L285 VanDerWaalsContact CD1-CD2 3.43Å; L256-L285 HydrophobicContact CD1-CG 4.3Å; L285-M289 HydrophobicContact CD1-CB 4.22Å; L285-M289 HydrophobicContact CD1-CE 4Å; L285-R290 PolarHBondContact O-NH1 2.93Å; L285-R290 PolarHBondContact O-NH2 3.35Å; L285-E334 HydrophobicContact CD2-CB 3.93Å; L285-E334 HydrophobicContact CD2-CG 3.46Å; L285-E334 VanDerWaalsContact CD2-CG 3.46Å; L285-E334 WeakPolarHBondContact CD2-OE1 3.47Å; L285-E334 WeakPolarHBondContact CD2-OE2 3.48Å | ||
| 286 | D | 90.1 | Very high | 90.6 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | trans | -95.6 | 171.9 | -177.3 | 62.1 | 31.3 | 0 | 0 | 0 | 112.6 | R283 A284 D288 M289 R290 | R283-D286 IonicContact CZ-OD2 3.79Å; R283-D286 IonicContact NE-OD2 2.89Å; R283-D286 PolarHBondContact NE-OD2 3.33Å; R283-D286 IonicContact NH2-OD1 2.85Å; R283-D286 PolarHBondContact NH2-OD1 2.77Å; R283-D286 IonicContact NH2-OD2 3.89Å; R283-D286 PolarHBondContact NH2-OD2 2.74Å; R283-D286 VanDerWaalsContact NH2-OD2 3.11Å; A284-D286 PolarHBondContact O-N 2.9Å; D286-D288 VanDerWaalsContact C-N 3.29Å; D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 PolarHBondContact OD1-N 2.89Å; D286-M289 PolarHBondContact O-N 3.47Å; D286-M289 WeakPolarHBondContact OD1-CB 3.46Å; D286-M289 WeakPolarHBondContact OD1-CG 3.38Å; D286-M289 PolarHBondContact OD1-N 2.79Å; D286-R290 WeakPolarHBondContact O-CG 3.38Å; D286-R290 PolarHBondContact O-N 3.45Å | ||
| 287 | D | 92.9 | Very high | 90.9 | Very high | 113 Ų | 113 | 54.1 Ų | 54.1 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.3 | -30.4 | -177.6 | -66.9 | -19.2 | 0 | 0 | 0 | 112.7 | R290 T291 | D287-R290 PolarHBondContact O-N 2.67Å; D287-R290 IonicContact OD1-NH1 2.67Å; D287-R290 PolarHBondContact OD1-NH1 2.78Å; D287-T291 VanDerWaalsContact O-CB 3.26Å; D287-T291 WeakPolarHBondContact O-CB 3.22Å; D287-T291 PolarHBondContact O-N 2.82Å; D287-T291 PolarHBondContact O-OG1 2.86Å |
| 288 | D | 93.7 | Very high | 91.3 | Very high | 118 Ų | 118 | 54.2 Ų | 54.2 | 63% | 0.631 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 175.1 | -70.9 | -16.9 | 0 | 0 | 0 | 110.8 | D286 T291 Q292 | D286-D288 VanDerWaalsContact C-N 3.29Å; D286-D288 PolarHBondContact O-N 3.34Å; D286-D288 PolarHBondContact OD1-N 2.89Å; D288-T291 PolarHBondContact O-N 3.3Å; D288-Q292 WeakPolarHBondContact O-CB 3.46Å; D288-Q292 PolarHBondContact O-N 3.42Å |
| 289 | M | 93.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 55 Ų | 55 | 4% | 0.044 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.9 | -47 | 175 | -75.7 | 177.6 | 66.9 | 0 | 0 | 111.2 | V253 Y280 R283 L285 D286 T291 Q292 M293 | V253-M289 HydrophobicContact CG1-CE 3.66Å; V253-M289 HydrophobicContact CG2-CE 4.31Å; Y280-M289 HydrophobicContact CD1-CE 4.08Å; Y280-M289 HydrophobicContact CE1-CE 3.91Å; Y280-M289 HydrophobicContact CE1-SD 4.39Å; R283-M289 HydrophobicContact CG-SD 3.83Å; R283-M289 PolarHBondContact NE-SD 3.46Å; R283-M289 VanDerWaalsContact NE-SD 3.43Å; L285-M289 HydrophobicContact CD1-CB 4.22Å; L285-M289 HydrophobicContact CD1-CE 4Å; D286-M289 PolarHBondContact O-N 3.47Å; D286-M289 WeakPolarHBondContact OD1-CB 3.46Å; D286-M289 WeakPolarHBondContact OD1-CG 3.38Å; D286-M289 PolarHBondContact OD1-N 2.79Å; M289-T291 VanDerWaalsContact C-N 3.31Å; M289-T291 PolarHBondContact O-N 3.3Å; M289-Q292 PolarHBondContact O-N 3.15Å; M289-M293 HydrophobicContact CE-CE 4.23Å; M289-M293 WeakPolarHBondContact O-CB 3.48Å; M289-M293 VanDerWaalsContact O-CG 3.24Å; M289-M293 WeakPolarHBondContact O-CG 3.46Å; M289-M293 PolarHBondContact O-N 3.35Å |
| 290 | R | 96.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 19% | 0.185 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | 176.6 | -69.1 | -176.5 | -172 | 87.6 | 13.2 | 111.4 | L285 D286 D287 M293 A294 E334 I338 L341 | L285-R290 PolarHBondContact O-NH1 2.93Å; L285-R290 PolarHBondContact O-NH2 3.35Å; D286-R290 WeakPolarHBondContact O-CG 3.38Å; D286-R290 PolarHBondContact O-N 3.45Å; D287-R290 PolarHBondContact O-N 2.67Å; D287-R290 IonicContact OD1-NH1 2.67Å; D287-R290 PolarHBondContact OD1-NH1 2.78Å; R290-M293 PolarHBondContact O-N 3.07Å; R290-A294 WeakPolarHBondContact O-CB 3.31Å; R290-A294 PolarHBondContact O-N 3.3Å; R290-E334 IonicContact CZ-OE1 3.11Å; R290-E334 IonicContact CZ-OE2 3.02Å; R290-E334 IonicContact NE-OE1 3.05Å; R290-E334 IonicContact NE-OE2 2.89Å; R290-E334 PolarHBondContact NE-OE2 3.43Å; R290-E334 IonicContact NH2-OE1 3.54Å; R290-E334 PolarHBondContact NH2-OE1 2.99Å; R290-E334 IonicContact NH2-OE2 3.96Å; R290-E334 PolarHBondContact NH2-OE2 3.3Å; R290-I338 HydrophobicContact CB-CG1 4.23Å; R290-I338 HydrophobicContact CG-CG1 4.16Å; R290-L341 HydrophobicContact CB-CD2 4.33Å |
| 291 | T | 96.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 54.3 Ų | 54.3 | 40% | 0.399 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 179.7 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | D287 D288 M289 A294 A295 | D287-T291 VanDerWaalsContact O-CB 3.26Å; D287-T291 WeakPolarHBondContact O-CB 3.22Å; D287-T291 PolarHBondContact O-N 2.82Å; D287-T291 PolarHBondContact O-OG1 2.86Å; D288-T291 PolarHBondContact O-N 3.3Å; M289-T291 VanDerWaalsContact C-N 3.31Å; M289-T291 PolarHBondContact O-N 3.3Å; T291-A294 PolarHBondContact O-N 3.33Å; T291-A295 PolarHBondContact O-N 3.3Å |
| 292 | Q | 94.8 | Very high | 92.5 | Very high | 115 Ų | 115 | 59.2 Ų | 59.2 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.3 | -175.3 | 60.7 | 56.3 | 0 | 0 | 111.6 | D288 M289 A294 A295 D296 | D288-Q292 WeakPolarHBondContact O-CB 3.46Å; D288-Q292 PolarHBondContact O-N 3.42Å; M289-Q292 PolarHBondContact O-N 3.15Å; Q292-A294 VanDerWaalsContact C-N 3.33Å; Q292-A294 PolarHBondContact O-N 3.09Å; Q292-A295 PolarHBondContact O-N 2.75Å; Q292-D296 PolarHBondContact NE2-OD1 3.44Å; Q292-D296 PolarHBondContact O-N 3.27Å |
| 293 | M | 96.6 | Very high | 93.2 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.025 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -39.4 | 176.5 | -68.2 | -179 | 177.5 | 0 | 0 | 111.5 | L256 L257 N260 M289 R290 D296 W297 I338 | L256-M293 HydrophobicContact CB-CE 3.83Å; L256-M293 HydrophobicContact CB-SD 3.97Å; L257-M293 HydrophobicContact CD2-CE 3.65Å; L257-M293 HydrophobicContact CG-CE 3.91Å; N260-M293 HydrophobicContact CB-CG 4.44Å; M289-M293 HydrophobicContact CE-CE 4.23Å; M289-M293 WeakPolarHBondContact O-CB 3.48Å; M289-M293 VanDerWaalsContact O-CG 3.24Å; M289-M293 WeakPolarHBondContact O-CG 3.46Å; M289-M293 PolarHBondContact O-N 3.35Å; R290-M293 PolarHBondContact O-N 3.07Å; M293-D296 WeakPolarHBondContact O-CB 3.3Å; M293-D296 PolarHBondContact O-N 3.38Å; M293-W297 PolarHBondContact O-N 3.23Å; M293-I338 HydrophobicContact CB-CD1 4.25Å; M293-I338 HydrophobicContact CB-CG2 3.77Å; M293-I338 HydrophobicContact SD-CD1 3.64Å |
| 294 | A | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -43.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | R290 T291 Q292 D296 W297 V298 I338 L341 A342 | R290-A294 WeakPolarHBondContact O-CB 3.31Å; R290-A294 PolarHBondContact O-N 3.3Å; T291-A294 PolarHBondContact O-N 3.33Å; Q292-A294 VanDerWaalsContact C-N 3.33Å; Q292-A294 PolarHBondContact O-N 3.09Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.45Å; A294-W297 WeakPolarHBondContact O-CA 3.47Å; A294-W297 WeakPolarHBondContact O-CB 3.35Å; A294-W297 PolarHBondContact O-N 3.1Å; A294-V298 WeakPolarHBondContact O-CG2 3.39Å; A294-V298 PolarHBondContact O-N 2.95Å; A294-I338 HydrophobicContact CB-CG2 4.31Å; A294-L341 HydrophobicContact CB-CB 4.06Å; A294-L341 HydrophobicContact CB-CD2 3.81Å; A294-L341 HydrophobicContact CB-CG 3.83Å; A294-A342 HydrophobicContact CB-CB 4.06Å |
| 295 | A | 95.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 60.1 Ų | 60.1 | 24% | 0.24 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | T291 Q292 W297 V298 N299 | T291-A295 PolarHBondContact O-N 3.3Å; Q292-A295 PolarHBondContact O-N 2.75Å; A295-W297 VanDerWaalsContact C-N 3.3Å; A295-W297 PolarHBondContact O-N 3.26Å; A295-V298 PolarHBondContact O-N 3.31Å; A295-N299 VanDerWaalsContact O-CG 3.31Å; A295-N299 PolarHBondContact O-N 3.08Å; A295-N299 PolarHBondContact O-ND2 3.33Å; A295-N299 VanDerWaalsContact O-ND2 3.15Å |
| 296 | D | 94.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 61.3 Ų | 61.3 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 174 | -67.1 | -16.1 | 0 | 0 | 0 | 111.8 | N260 S262 Q292 M293 A294 R300 | N260-D296 PolarHBondContact ND2-OD2 3.02Å; N260-D296 VanDerWaalsContact ND2-OD2 3.11Å; S262-D296 PolarHBondContact OG-OD2 3.42Å; Q292-D296 PolarHBondContact NE2-OD1 3.44Å; Q292-D296 PolarHBondContact O-N 3.27Å; M293-D296 WeakPolarHBondContact O-CB 3.3Å; M293-D296 PolarHBondContact O-N 3.38Å; A294-D296 VanDerWaalsContact C-N 3.3Å; A294-D296 PolarHBondContact O-N 3.45Å; D296-R300 WeakPolarHBondContact O-CG 3.35Å; D296-R300 PolarHBondContact O-N 3.5Å |
| 297 | W | 96.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.1 | -40.3 | 174.2 | -79.4 | 108.4 | 0 | 0 | 0 | 112.7 | W259 M293 A294 A295 N299 R300 E301 T307 I308 E311 L339 A342 | W259-W297 HydrophobicContact CD2-CZ2 4.17Å; W259-W297 AromaticContact CE2-CZ2 3.46Å; W259-W297 VanDerWaalsContact CE2-CZ2 3.46Å; W259-W297 AromaticContact CH2-CE2 3.7Å; W259-W297 AromaticContact CH2-CZ2 3.91Å; W259-W297 HydrophobicContact CH2-CZ2 3.91Å; W259-W297 AromaticContact CH2-NE1 3.15Å; W259-W297 AromaticContact CZ2-CE2 3.6Å; W259-W297 HydrophobicContact CZ2-CH2 4.28Å; W259-W297 AromaticContact CZ2-CZ2 3.32Å; W259-W297 HydrophobicContact CZ2-CZ2 3.32Å; W259-W297 AromaticContact CZ2-NE1 3.58Å; W259-W297 AromaticContact CZ3-NE1 3.47Å; W259-W297 AromaticContact NE1-CZ2 3.78Å; M293-W297 PolarHBondContact O-N 3.23Å; A294-W297 WeakPolarHBondContact O-CA 3.47Å; A294-W297 WeakPolarHBondContact O-CB 3.35Å; A294-W297 PolarHBondContact O-N 3.1Å; A295-W297 VanDerWaalsContact C-N 3.3Å; A295-W297 PolarHBondContact O-N 3.26Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 3.44Å; W297-R300 WeakPolarHBondContact O-CB 3.34Å; W297-R300 PolarHBondContact O-N 3.47Å; W297-R300 VanDerWaalsContact O-N 3.15Å; W297-E301 PolarHBondContact O-N 2.94Å; W297-T307 HydrophobicContact CE3-CG2 4.22Å; W297-T307 HydrophobicContact CZ3-CG2 3.78Å; W297-I308 HydrophobicContact CB-CD1 4.28Å; W297-I308 HydrophobicContact CB-CG1 4.23Å; W297-I308 HydrophobicContact CE3-CG1 4.39Å; W297-E311 HydrophobicContact CH2-CB 4.02Å; W297-E311 HydrophobicContact CH2-CG 3.57Å; W297-E311 HydrophobicContact CZ2-CG 3.99Å; W297-E311 HydrophobicContact CZ3-CB 4.01Å; W297-E311 HydrophobicContact CZ3-CG 4.06Å; W297-L339 HydrophobicContact CD2-CD2 3.74Å; W297-L339 HydrophobicContact CE3-CD2 4.1Å; W297-L339 HydrophobicContact CG-CD2 3.98Å; W297-L339 HydrophobicContact CZ2-CD2 4.48Å; W297-A342 HydrophobicContact CB-CB 3.99Å |
| 298 | V | 95.6 | Very high | 94.8 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 9% | 0.091 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.5 | -45.2 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A294 A295 R300 E301 Q302 A342 Q345 L346 | A294-V298 WeakPolarHBondContact O-CG2 3.39Å; A294-V298 PolarHBondContact O-N 2.95Å; A295-V298 PolarHBondContact O-N 3.31Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 3.23Å; V298-E301 WeakPolarHBondContact O-CB 3.42Å; V298-E301 PolarHBondContact O-N 2.91Å; V298-Q302 WeakPolarHBondContact O-CG 3.4Å; V298-Q302 PolarHBondContact O-N 3.27Å; V298-Q302 VanDerWaalsContact O-N 3.11Å; V298-A342 HydrophobicContact CG2-CB 3.89Å; V298-Q345 HydrophobicContact CG2-CB 4.08Å; V298-L346 HydrophobicContact CG1-CD2 3.81Å; V298-L346 HydrophobicContact CG1-CG 4.2Å; V298-L346 HydrophobicContact CG2-CG 4.13Å |
| 299 | N | 93.4 | Very high | 95 | Very high | 87 Ų | 87 | 52.7 Ų | 52.7 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 177.6 | -69.6 | -34.2 | 0 | 0 | 0 | 112.6 | A295 W297 S303 | A295-N299 VanDerWaalsContact O-CG 3.31Å; A295-N299 PolarHBondContact O-N 3.08Å; A295-N299 PolarHBondContact O-ND2 3.33Å; A295-N299 VanDerWaalsContact O-ND2 3.15Å; W297-N299 VanDerWaalsContact C-N 3.31Å; W297-N299 PolarHBondContact O-N 3.44Å; N299-S303 PolarHBondContact O-N 3.39Å; N299-S303 PolarHBondContact O-OG 2.89Å; N299-S303 VanDerWaalsContact O-OG 3.11Å |
| 300 | R | 93.9 | Very high | 95.2 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 32% | 0.317 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 174 | -73.1 | 178.7 | -177.8 | 125.4 | 17 | 112.4 | N260 D296 W297 V298 Q302 S303 V304 T307 | N260-R300 PolarHBondContact O-NH1 3Å; N260-R300 PolarHBondContact O-NH2 3.06Å; D296-R300 WeakPolarHBondContact O-CG 3.35Å; D296-R300 PolarHBondContact O-N 3.5Å; W297-R300 WeakPolarHBondContact O-CB 3.34Å; W297-R300 PolarHBondContact O-N 3.47Å; W297-R300 VanDerWaalsContact O-N 3.15Å; V298-R300 VanDerWaalsContact C-N 3.3Å; V298-R300 PolarHBondContact O-N 3.23Å; R300-Q302 VanDerWaalsContact C-N 3.26Å; R300-Q302 PolarHBondContact O-N 2.96Å; R300-S303 WeakPolarHBondContact O-CA 3.48Å; R300-S303 WeakPolarHBondContact O-CB 3.27Å; R300-S303 PolarHBondContact O-N 3.11Å; R300-V304 PolarHBondContact O-N 3.15Å; R300-T307 HydrophobicContact CB-CG2 4.4Å |
| 301 | E | 94.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 59 Ų | 59 | 19% | 0.192 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 177.6 | -172.2 | 66.4 | -164.3 | 0 | 0 | 111.6 | W297 V298 S303 V304 A305 G306 T307 I308 L346 | W297-E301 PolarHBondContact O-N 2.94Å; V298-E301 WeakPolarHBondContact O-CB 3.42Å; V298-E301 PolarHBondContact O-N 2.91Å; E301-S303 PolarHBondContact O-N 2.54Å; E301-V304 CarbonylContact O-C 3.5Å; E301-V304 PolarHBondContact O-N 2.88Å; E301-A305 PolarHBondContact O-N 3.14Å; E301-G306 PolarHBondContact OE1-N 3Å; E301-T307 PolarHBondContact OE2-N 3.01Å; E301-I308 HydrophobicContact CB-CD1 3.68Å; E301-I308 HydrophobicContact CB-CG1 4.05Å; E301-I308 HydrophobicContact CG-CD1 4.07Å; E301-I308 HydrophobicContact CG-CG1 4.43Å; E301-I308 PolarHBondContact OE2-N 3.13Å; E301-L346 HydrophobicContact CB-CD1 4.19Å; E301-L346 HydrophobicContact CG-CD1 3.8Å |
| 302 | Q | 91.4 | Very high | 95.3 | Very high | 141 Ų | 141 | 57.2 Ų | 57.2 | 66% | 0.659 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.1 | -30.3 | 174.5 | -68.7 | 173.8 | 10.5 | 0 | 0 | 112.8 | V298 R300 | V298-Q302 WeakPolarHBondContact O-CG 3.4Å; V298-Q302 PolarHBondContact O-N 3.27Å; V298-Q302 VanDerWaalsContact O-N 3.11Å; R300-Q302 VanDerWaalsContact C-N 3.26Å; R300-Q302 PolarHBondContact O-N 2.96Å |
| 303 | S | 93.1 | Very high | 95.4 | Very high | 100 Ų | 100 | 54.2 Ų | 54.2 | 70% | 0.699 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -82.6 | -41 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | N299 R300 E301 | N299-S303 PolarHBondContact O-N 3.39Å; N299-S303 PolarHBondContact O-OG 2.89Å; N299-S303 VanDerWaalsContact O-OG 3.11Å; R300-S303 WeakPolarHBondContact O-CA 3.48Å; R300-S303 WeakPolarHBondContact O-CB 3.27Å; R300-S303 PolarHBondContact O-N 3.11Å; E301-S303 PolarHBondContact O-N 2.54Å |
| 304 | V | 93.9 | Very high | 95.5 | Very high | 91 Ų | 91 | 56 Ų | 56 | 55% | 0.552 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -138.7 | 101.6 | -177.9 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | R300 E301 T307 | R300-V304 PolarHBondContact O-N 3.15Å; E301-V304 CarbonylContact O-C 3.5Å; E301-V304 PolarHBondContact O-N 2.88Å; V304-T307 WeakPolarHBondContact CB-OG1 3.37Å; V304-T307 WeakPolarHBondContact CG1-OG1 3.47Å; V304-T307 WeakPolarHBondContact O-CB 3.34Å; V304-T307 PolarHBondContact O-N 2.82Å; V304-T307 PolarHBondContact O-OG1 3Å |
| 305 | A | 93.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 56 Ų | 56 | 74% | 0.736 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 142.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E301 T307 | E301-A305 PolarHBondContact O-N 3.14Å; A305-T307 VanDerWaalsContact C-N 3.34Å |
| 306 | G | 94.5 | Very high | 95.6 | Very high | 34 Ų | 34 | 58.8 Ų | 58.8 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -1.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E301 A309 Q310 | E301-G306 PolarHBondContact OE1-N 3Å; G306-A309 PolarHBondContact O-N 3.02Å; G306-Q310 WeakPolarHBondContact O-CB 3.4Å; G306-Q310 PolarHBondContact O-N 3.43Å |
| 307 | T | 96.1 | Very high | 95.7 | Very high | 30 Ų | 30 | 65.3 Ų | 65.3 | 18% | 0.184 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.9 | -46 | -178.5 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | W297 R300 E301 V304 A305 Q310 E311 | W297-T307 HydrophobicContact CE3-CG2 4.22Å; W297-T307 HydrophobicContact CZ3-CG2 3.78Å; R300-T307 HydrophobicContact CB-CG2 4.4Å; E301-T307 PolarHBondContact OE2-N 3.01Å; V304-T307 WeakPolarHBondContact CB-OG1 3.37Å; V304-T307 WeakPolarHBondContact CG1-OG1 3.47Å; V304-T307 WeakPolarHBondContact O-CB 3.34Å; V304-T307 PolarHBondContact O-N 2.82Å; V304-T307 PolarHBondContact O-OG1 3Å; A305-T307 VanDerWaalsContact C-N 3.34Å; T307-Q310 PolarHBondContact O-N 3.32Å; T307-E311 WeakPolarHBondContact O-CB 3.48Å; T307-E311 PolarHBondContact O-N 2.87Å |
| 308 | I | 96.6 | Very high | 95.7 | Very high | 4 Ų | 4 | 67.6 Ų | 67.6 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 178.4 | -67.5 | 174.4 | 0 | 0 | 0 | 110.4 | W297 E301 Q310 E311 L312 L339 A342 V343 L346 | W297-I308 HydrophobicContact CB-CD1 4.28Å; W297-I308 HydrophobicContact CB-CG1 4.23Å; W297-I308 HydrophobicContact CE3-CG1 4.39Å; E301-I308 HydrophobicContact CB-CD1 3.68Å; E301-I308 HydrophobicContact CB-CG1 4.05Å; E301-I308 HydrophobicContact CG-CD1 4.07Å; E301-I308 HydrophobicContact CG-CG1 4.43Å; E301-I308 PolarHBondContact OE2-N 3.13Å; I308-Q310 VanDerWaalsContact C-N 3.33Å; I308-Q310 PolarHBondContact O-N 3.3Å; I308-E311 PolarHBondContact O-N 3.47Å; I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 PolarHBondContact O-N 2.68Å; I308-L339 HydrophobicContact CG2-CD2 4.26Å; I308-A342 HydrophobicContact CD1-CB 3.91Å; I308-V343 HydrophobicContact CG2-CG2 3.59Å; I308-L346 HydrophobicContact CD1-CD1 3.62Å |
| 309 | A | 96.8 | Very high | 95.8 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G306 A313 | G306-A309 PolarHBondContact O-N 3.02Å; A309-A313 PolarHBondContact O-N 2.74Å; A309-A313 VanDerWaalsContact O-N 3.1Å |
| 310 | Q | 97.1 | Very high | 95.9 | Very high | 149 Ų | 149 | 66.2 Ų | 66.2 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.8 | -47.4 | 176.5 | -176.5 | 178.1 | 1.1 | 0 | 0 | 111.9 | G306 T307 I308 L312 A313 S314 | G306-Q310 WeakPolarHBondContact O-CB 3.4Å; G306-Q310 PolarHBondContact O-N 3.43Å; T307-Q310 PolarHBondContact O-N 3.32Å; I308-Q310 VanDerWaalsContact C-N 3.33Å; I308-Q310 PolarHBondContact O-N 3.3Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 3.11Å; Q310-A313 PolarHBondContact O-N 3.22Å; Q310-S314 PolarHBondContact O-N 2.83Å; Q310-S314 VanDerWaalsContact O-N 3.07Å |
| 311 | E | 97.6 | Very high | 96 | Very high | 41 Ų | 41 | 66.4 Ų | 66.4 | 19% | 0.192 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 179.9 | -173.6 | 63.1 | -154.4 | 0 | 0 | 111.8 | W259 W297 T307 I308 S314 T315 K335 L339 | W259-E311 HydrophobicContact CZ2-CG 3.85Å; W259-E311 PolarHBondContact NE1-OE1 3.43Å; W297-E311 HydrophobicContact CH2-CB 4.02Å; W297-E311 HydrophobicContact CH2-CG 3.57Å; W297-E311 HydrophobicContact CZ2-CG 3.99Å; W297-E311 HydrophobicContact CZ3-CB 4.01Å; W297-E311 HydrophobicContact CZ3-CG 4.06Å; T307-E311 WeakPolarHBondContact O-CB 3.48Å; T307-E311 PolarHBondContact O-N 2.87Å; I308-E311 PolarHBondContact O-N 3.47Å; E311-S314 PolarHBondContact O-N 3.07Å; E311-T315 WeakPolarHBondContact O-CB 3.15Å; E311-T315 PolarHBondContact O-N 3.42Å; E311-T315 PolarHBondContact O-OG1 3Å; E311-K335 IonicContact OE1-NZ 2.96Å; E311-K335 PolarHBondContact OE1-NZ 2.88Å; E311-L339 HydrophobicContact CB-CD1 4.28Å; E311-L339 HydrophobicContact CB-CD2 4.24Å; E311-L339 HydrophobicContact CG-CD1 3.86Å; E311-L339 HydrophobicContact CG-CD2 4.1Å |
| 312 | L | 97.5 | Very high | 96.1 | Very high | 28 Ų | 28 | 64.5 Ų | 64.5 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.9 | -175 | 64.1 | 0 | 0 | 0 | 110.6 | I308 Q310 S314 T315 E316 K336 L339 M340 | I308-L312 VanDerWaalsContact O-CB 3.23Å; I308-L312 WeakPolarHBondContact O-CB 3.47Å; I308-L312 PolarHBondContact O-N 2.68Å; Q310-L312 VanDerWaalsContact C-N 3.33Å; Q310-L312 PolarHBondContact O-N 3.11Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.05Å; L312-T315 PolarHBondContact O-N 3.36Å; L312-E316 WeakPolarHBondContact O-CG 3.36Å; L312-E316 PolarHBondContact O-N 3.15Å; L312-K336 HydrophobicContact CD1-CG 4.1Å; L312-L339 HydrophobicContact CB-CD1 4.18Å; L312-L339 HydrophobicContact CD1-CB 4Å; L312-L339 HydrophobicContact CD1-CD1 4.13Å; L312-M340 HydrophobicContact CD1-CG 4.41Å; L312-M340 HydrophobicContact CD1-SD 4.35Å; L312-M340 HydrophobicContact CD2-SD 3.88Å |
| 313 | A | 97.8 | Very high | 96.3 | Very high | 52 Ų | 52 | 58.3 Ų | 58.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A309 Q310 R317 | A309-A313 PolarHBondContact O-N 2.74Å; A309-A313 VanDerWaalsContact O-N 3.1Å; Q310-A313 PolarHBondContact O-N 3.22Å; A313-R317 PolarHBondContact O-N 3.11Å |
| 314 | S | 97.6 | Very high | 96.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.5 | -47.2 | 173.8 | -164 | 0 | 0 | 0 | 0 | 111.4 | Q310 E311 L312 E316 R317 E318 | Q310-S314 PolarHBondContact O-N 2.83Å; Q310-S314 VanDerWaalsContact O-N 3.07Å; E311-S314 PolarHBondContact O-N 3.07Å; L312-S314 VanDerWaalsContact C-N 3.32Å; L312-S314 PolarHBondContact O-N 3.05Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-E316 PolarHBondContact O-N 3.2Å; S314-R317 PolarHBondContact O-N 3.21Å; S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 3.47Å; S314-E318 PolarHBondContact OG-OE1 2.67Å; S314-E318 VanDerWaalsContact OG-OE1 3.14Å |
| 315 | T | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 111.9 | E311 L312 E318 L319 Y332 K335 K336 | E311-T315 WeakPolarHBondContact O-CB 3.15Å; E311-T315 PolarHBondContact O-N 3.42Å; E311-T315 PolarHBondContact O-OG1 3Å; L312-T315 PolarHBondContact O-N 3.36Å; T315-E318 PolarHBondContact O-N 2.76Å; T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 PolarHBondContact O-N 2.96Å; T315-Y332 WeakPolarHBondContact CG2-O 3.48Å; T315-K335 HydrophobicContact CG2-CB 3.51Å; T315-K335 HydrophobicContact CG2-CD 4.46Å; T315-K335 WeakPolarHBondContact OG1-CE 3.26Å; T315-K335 PolarHBondContact OG1-NZ 3.4Å; T315-K336 HydrophobicContact CG2-CB 4.01Å |
| 316 | E | 96.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 51 Ų | 51 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178 | -73.2 | -171.8 | 142.4 | 0 | 0 | 112.5 | L312 S314 E320 K336 | L312-E316 WeakPolarHBondContact O-CG 3.36Å; L312-E316 PolarHBondContact O-N 3.15Å; S314-E316 VanDerWaalsContact C-N 3.33Å; S314-E316 PolarHBondContact O-N 3.2Å; E316-E320 WeakPolarHBondContact O-CB 3.39Å; E316-E320 PolarHBondContact O-N 3.21Å; E316-K336 HydrophobicContact CG-CD 4.32Å; E316-K336 IonicContact OE1-NZ 3.89Å; E316-K336 PolarHBondContact OE1-NZ 3.01Å |
| 317 | R | 97.5 | Very high | 96 | Very high | 176 Ų | 176 | 53 Ų | 53 | 66% | 0.664 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65 | -47.5 | 174.3 | -171.5 | -177.4 | -60.9 | 152.2 | 3.6 | 111.3 | A313 S314 L319 E320 D321 | A313-R317 PolarHBondContact O-N 3.11Å; S314-R317 PolarHBondContact O-N 3.21Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 2.88Å; R317-E320 PolarHBondContact O-N 3.17Å; R317-D321 PolarHBondContact O-N 3.45Å |
| 318 | E | 97.4 | Very high | 95.8 | Very high | 61 Ų | 61 | 53.3 Ų | 53.3 | 29% | 0.285 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.2 | -41.6 | 177.9 | -73 | 168 | -161.1 | 0 | 0 | 112.4 | S314 T315 D321 A322 Y332 K335 | S314-E318 WeakPolarHBondContact O-CG 3.28Å; S314-E318 PolarHBondContact O-N 3.47Å; S314-E318 PolarHBondContact OG-OE1 2.67Å; S314-E318 VanDerWaalsContact OG-OE1 3.14Å; T315-E318 PolarHBondContact O-N 2.76Å; E318-D321 PolarHBondContact O-N 3.43Å; E318-A322 VanDerWaalsContact O-CB 3.24Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.39Å; E318-Y332 HydrophobicContact CB-CD1 3.69Å; E318-Y332 HydrophobicContact CB-CE1 3.67Å; E318-Y332 HydrophobicContact CG-CE1 4.46Å; E318-K335 IonicContact OE1-NZ 3Å; E318-K335 IonicContact OE2-NZ 2.75Å; E318-K335 PolarHBondContact OE2-NZ 3.22Å |
| 319 | L | 97.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 176.3 | 175.6 | 58.6 | 0 | 0 | 0 | 111 | Y156 T315 R317 A322 R323 L329 K333 K336 | Y156-L319 HydrophobicContact CE1-CD1 4.36Å; T315-L319 VanDerWaalsContact O-CB 3.28Å; T315-L319 WeakPolarHBondContact O-CB 3.47Å; T315-L319 PolarHBondContact O-N 2.96Å; R317-L319 VanDerWaalsContact C-N 3.33Å; R317-L319 PolarHBondContact O-N 2.88Å; L319-A322 PolarHBondContact O-N 3.1Å; L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.46Å; L319-R323 PolarHBondContact O-N 3.48Å; L319-L329 HydrophobicContact CD1-CB 4.09Å; L319-L329 HydrophobicContact CD1-CD1 4.37Å; L319-L329 HydrophobicContact CD1-CD2 4.31Å; L319-L329 HydrophobicContact CD1-CG 4.49Å; L319-K333 HydrophobicContact CD1-CG 4.15Å; L319-K333 HydrophobicContact CD2-CD 4.44Å; L319-K336 HydrophobicContact CD2-CD 4.33Å |
| 320 | E | 95.9 | Very high | 95.7 | Very high | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.318 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 178.8 | 179.5 | 59.9 | -168.4 | 0 | 0 | 111.6 | E316 R317 A322 R323 L324 | E316-E320 WeakPolarHBondContact O-CB 3.39Å; E316-E320 PolarHBondContact O-N 3.21Å; R317-E320 PolarHBondContact O-N 3.17Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.26Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 IonicContact OE1-CZ 3.19Å; E320-R323 IonicContact OE1-NE 2.81Å; E320-R323 IonicContact OE1-NH2 2.81Å; E320-R323 PolarHBondContact OE1-NH2 2.9Å; E320-R323 IonicContact OE2-CZ 3.98Å; E320-R323 IonicContact OE2-NE 2.6Å; E320-R323 PolarHBondContact OE2-NE 3.09Å; E320-R323 IonicContact OE2-NH2 3.5Å; E320-R323 PolarHBondContact OE2-NH2 3.23Å; E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.37Å |
| 321 | D | 96.3 | Very high | 95.6 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 47% | 0.471 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.6 | -71.1 | -20.8 | 0 | 0 | 0 | 111.6 | R317 E318 A325 | R317-D321 PolarHBondContact O-N 3.45Å; E318-D321 PolarHBondContact O-N 3.43Å; D321-A325 WeakPolarHBondContact O-CB 3.12Å; D321-A325 PolarHBondContact O-N 3.29Å; D321-A325 VanDerWaalsContact O-N 3.13Å |
| 322 | A | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E318 L319 E320 A325 G326 R327 L329 Y332 | E318-A322 VanDerWaalsContact O-CB 3.24Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 3.39Å; L319-A322 PolarHBondContact O-N 3.1Å; E320-A322 VanDerWaalsContact C-N 3.31Å; E320-A322 PolarHBondContact O-N 3.26Å; A322-A325 CarbonylContact O-C 3.54Å; A322-A325 PolarHBondContact O-N 3.05Å; A322-G326 PolarHBondContact O-N 3.5Å; A322-R327 HydrophobicContact CB-CB 4.25Å; A322-R327 WeakPolarHBondContact O-CB 3.5Å; A322-R327 PolarHBondContact O-N 2.85Å; A322-L329 HydrophobicContact CB-CD2 3.61Å; A322-Y332 HydrophobicContact CB-CD2 3.74Å; A322-Y332 HydrophobicContact CB-CE2 3.42Å; A322-Y332 VanDerWaalsContact CB-CE2 3.42Å |
| 323 | R | 96.4 | Very high | 95.5 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -48.4 | 178 | -178.6 | -175.1 | 71 | 77.8 | -10.3 | 111.4 | Y156 S167 F168 L319 E320 A325 G326 L329 | Y156-R323 HydrophobicContact CE1-CG 4.37Å; S167-R323 WeakPolarHBondContact O-CD 3.41Å; S167-R323 WeakPolarHBondContact O-CG 3.42Å; S167-R323 PolarHBondContact O-NH1 3.48Å; F168-R323 WeakPolarHBondContact CB-O 3.46Å; L319-R323 VanDerWaalsContact O-CB 3.23Å; L319-R323 WeakPolarHBondContact O-CB 3.46Å; L319-R323 PolarHBondContact O-N 3.48Å; E320-R323 WeakPolarHBondContact O-CB 3.47Å; E320-R323 PolarHBondContact O-N 2.79Å; E320-R323 IonicContact OE1-CZ 3.19Å; E320-R323 IonicContact OE1-NE 2.81Å; E320-R323 IonicContact OE1-NH2 2.81Å; E320-R323 PolarHBondContact OE1-NH2 2.9Å; E320-R323 IonicContact OE2-CZ 3.98Å; E320-R323 IonicContact OE2-NE 2.6Å; E320-R323 PolarHBondContact OE2-NE 3.09Å; E320-R323 IonicContact OE2-NH2 3.5Å; E320-R323 PolarHBondContact OE2-NH2 3.23Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.34Å; R323-G326 PolarHBondContact O-N 2.95Å; R323-L329 HydrophobicContact CB-CD1 3.97Å; R323-L329 HydrophobicContact CB-CD2 4.2Å; R323-L329 HydrophobicContact CG-CD1 4.1Å |
| 324 | L | 93.3 | Very high | 95.4 | Very high | 72 Ų | 72 | 42.6 Ų | 42.6 | 38% | 0.377 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.7 | -30.3 | 179.1 | -67.3 | 178.3 | 0 | 0 | 0 | 112.3 | E320 G326 | E320-L324 HydrophobicContact CG-CD1 4.33Å; E320-L324 WeakPolarHBondContact O-CG 3.37Å; E320-L324 PolarHBondContact O-N 3.37Å; L324-G326 PolarHBondContact O-N 3.04Å |
| 325 | A | 92.2 | Very high | 95.4 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 40% | 0.397 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114 | D321 A322 R323 R327 | D321-A325 WeakPolarHBondContact O-CB 3.12Å; D321-A325 PolarHBondContact O-N 3.29Å; D321-A325 VanDerWaalsContact O-N 3.13Å; A322-A325 CarbonylContact O-C 3.54Å; A322-A325 PolarHBondContact O-N 3.05Å; R323-A325 VanDerWaalsContact C-N 3.25Å; R323-A325 PolarHBondContact O-N 3.34Å; A325-R327 HydrophobicContact CB-CG 3.94Å; A325-R327 PolarHBondContact O-N 3.1Å |
| 326 | G | 90.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 43.6 Ų | 43.6 | 6% | 0.062 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 26.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | A322 R323 L324 | A322-G326 PolarHBondContact O-N 3.5Å; R323-G326 PolarHBondContact O-N 2.95Å; L324-G326 PolarHBondContact O-N 3.04Å |
| 327 | R | 91.5 | Very high | 95.4 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | trans | -76.3 | 166.5 | 178.6 | -63.6 | -165.4 | -66 | -101.4 | 5.7 | 111.1 | A322 A325 L329 | A322-R327 HydrophobicContact CB-CB 4.25Å; A322-R327 WeakPolarHBondContact O-CB 3.5Å; A322-R327 PolarHBondContact O-N 2.85Å; A325-R327 HydrophobicContact CB-CG 3.94Å; A325-R327 PolarHBondContact O-N 3.1Å; R327-L329 WeakPolarHBondContact O-CD2 3.27Å; R327-L329 WeakPolarHBondContact O-CG 3.38Å | ||
| 328 | E | 92.4 | Very high | 95.4 | Very high | 38 Ų | 38 | 34.3 Ų | 34.3 | 18% | 0.178 | 17% | 0.17 | C | C | . | . | trans | -61.5 | 134.1 | 164.2 | -157.5 | -62 | 133 | 0 | 0 | 108.9 | S163 C164 F165 R330 | S163-E328 WeakPolarHBondContact CA-OE1 3.31Å; C164-E328 PolarHBondContact N-OE1 3.3Å; F165-E328 HydrophobicContact CE1-CB 4.31Å; F165-E328 HydrophobicContact CE1-CG 4.39Å; F165-E328 HydrophobicContact CZ-CG 4.4Å; E328-R330 VanDerWaalsContact CD-N 3.27Å; E328-R330 WeakPolarHBondContact OE1-CB 3.34Å; E328-R330 PolarHBondContact OE1-N 2.96Å; E328-R330 WeakPolarHBondContact OE2-CB 3.42Å; E328-R330 PolarHBondContact OE2-N 2.89Å | ||
| 329 | L | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -114.4 | -5.3 | -169 | -54.9 | -175.8 | 0 | 0 | 0 | 114.4 | Y156 C164 G166 L319 A322 R323 R327 F331 Y332 K333 | Y156-L329 HydrophobicContact CD1-CD1 3.78Å; Y156-L329 HydrophobicContact CE1-CD1 3.76Å; C164-L329 HydrophobicContact CB-CB 4.25Å; C164-L329 PolarHBondContact O-N 3.32Å; G166-L329 VanDerWaalsContact N-CD1 3.35Å; L319-L329 HydrophobicContact CD1-CB 4.09Å; L319-L329 HydrophobicContact CD1-CD1 4.37Å; L319-L329 HydrophobicContact CD1-CD2 4.31Å; L319-L329 HydrophobicContact CD1-CG 4.49Å; A322-L329 HydrophobicContact CB-CD2 3.61Å; R323-L329 HydrophobicContact CB-CD1 3.97Å; R323-L329 HydrophobicContact CB-CD2 4.2Å; R323-L329 HydrophobicContact CG-CD1 4.1Å; R327-L329 WeakPolarHBondContact O-CD2 3.27Å; R327-L329 WeakPolarHBondContact O-CG 3.38Å; L329-F331 VanDerWaalsContact C-N 3.34Å; L329-F331 PolarHBondContact O-N 2.85Å; L329-Y332 PolarHBondContact O-N 3.39Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.11Å | ||
| 330 | R | 94.7 | Very high | 95.5 | Very high | 22 Ų | 22 | 35.6 Ų | 35.6 | 8% | 0.083 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | -172 | -176.1 | -173.5 | -166.2 | 160.1 | -3 | 111.3 | G161 G162 C164 E249 T252 E328 Y332 K333 E334 | G161-R330 PolarHBondContact O-NH1 3.39Å; G162-R330 VanDerWaalsContact CA-CZ 3.45Å; G162-R330 WeakPolarHBondContact O-CD 3.48Å; G162-R330 WeakPolarHBondContact O-CG 3.45Å; G162-R330 PolarHBondContact O-NE 3.12Å; C164-R330 HydrophobicContact CB-CB 4.07Å; E249-R330 VanDerWaalsContact CD-CZ 3.4Å; E249-R330 VanDerWaalsContact CD-NH1 3.33Å; E249-R330 IonicContact OE1-CZ 3.4Å; E249-R330 IonicContact OE1-NH1 2.98Å; E249-R330 IonicContact OE1-NH2 2.8Å; E249-R330 PolarHBondContact OE1-NH2 3.36Å; E249-R330 IonicContact OE2-CZ 3.74Å; E249-R330 IonicContact OE2-NE 3.76Å; E249-R330 PolarHBondContact OE2-NE 3.38Å; E249-R330 IonicContact OE2-NH1 3.55Å; E249-R330 PolarHBondContact OE2-NH1 3.12Å; E249-R330 IonicContact OE2-NH2 3.78Å; E249-R330 PolarHBondContact OE2-NH2 3.03Å; T252-R330 HydrophobicContact CG2-CG 4.16Å; E328-R330 VanDerWaalsContact CD-N 3.27Å; E328-R330 WeakPolarHBondContact OE1-CB 3.34Å; E328-R330 PolarHBondContact OE1-N 2.96Å; E328-R330 WeakPolarHBondContact OE2-CB 3.42Å; E328-R330 PolarHBondContact OE2-N 2.89Å; R330-Y332 VanDerWaalsContact C-N 3.32Å; R330-Y332 PolarHBondContact O-N 3.32Å; R330-K333 PolarHBondContact O-N 3.39Å; R330-E334 HydrophobicContact CG-CG 4.03Å; R330-E334 WeakPolarHBondContact O-CB 3.45Å; R330-E334 VanDerWaalsContact O-CG 3.25Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.4Å |
| 331 | F | 95.8 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.5 Ų | 35.5 | 12% | 0.118 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.7 | -47.6 | 178.5 | 172.1 | -110.4 | 0 | 0 | 0 | 112.4 | T252 Q255 L256 W259 L329 E334 K335 | T252-F331 HydrophobicContact CG2-CB 4.33Å; Q255-F331 HydrophobicContact CB-CD2 3.65Å; Q255-F331 HydrophobicContact CB-CE2 3.52Å; Q255-F331 HydrophobicContact CB-CG 4.48Å; Q255-F331 HydrophobicContact CB-CZ 4.25Å; L256-F331 HydrophobicContact CD2-CD2 3.89Å; L256-F331 HydrophobicContact CD2-CE2 3.78Å; L256-F331 HydrophobicContact CG-CD2 3.98Å; L256-F331 HydrophobicContact CG-CE2 4.07Å; W259-F331 HydrophobicContact CB-CE2 4.5Å; W259-F331 HydrophobicContact CB-CZ 4.34Å; L329-F331 VanDerWaalsContact C-N 3.34Å; L329-F331 PolarHBondContact O-N 2.85Å; F331-E334 PolarHBondContact O-N 2.81Å; F331-K335 HydrophobicContact CD1-CD 4.29Å; F331-K335 HydrophobicContact CE1-CD 3.58Å; F331-K335 HydrophobicContact CE1-CG 4.37Å; F331-K335 HydrophobicContact CE2-CD 4.04Å; F331-K335 HydrophobicContact CE2-CG 4.08Å; F331-K335 HydrophobicContact CZ-CD 3.44Å; F331-K335 VanDerWaalsContact CZ-CD 3.44Å; F331-K335 HydrophobicContact CZ-CG 4.01Å; F331-K335 WeakPolarHBondContact O-CG 3.43Å; F331-K335 PolarHBondContact O-N 2.91Å |
| 332 | Y | 96.6 | Very high | 95.6 | Very high | 30 Ų | 30 | 31.3 Ų | 31.3 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -37.4 | -178.8 | -56.6 | -76.6 | 0 | 0 | 0 | 112.6 | T315 E318 A322 L329 R330 K336 | T315-Y332 WeakPolarHBondContact CG2-O 3.48Å; E318-Y332 HydrophobicContact CB-CD1 3.69Å; E318-Y332 HydrophobicContact CB-CE1 3.67Å; E318-Y332 HydrophobicContact CG-CE1 4.46Å; A322-Y332 HydrophobicContact CB-CD2 3.74Å; A322-Y332 HydrophobicContact CB-CE2 3.42Å; A322-Y332 VanDerWaalsContact CB-CE2 3.42Å; L329-Y332 PolarHBondContact O-N 3.39Å; R330-Y332 VanDerWaalsContact C-N 3.32Å; R330-Y332 PolarHBondContact O-N 3.32Å; Y332-K336 PolarHBondContact O-N 2.95Å; Y332-K336 VanDerWaalsContact O-N 3.08Å |
| 333 | K | 96 | Very high | 95.6 | Very high | 16 Ų | 16 | 33.9 Ų | 33.9 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -48.5 | 173.7 | -84.9 | -84.5 | -76.9 | 160.3 | 0 | 111.1 | E144 L319 L329 R330 K335 K336 D337 | E144-K333 IonicContact OE1-NZ 3.35Å; E144-K333 PolarHBondContact OE1-NZ 3.03Å; E144-K333 IonicContact OE2-NZ 2.68Å; E144-K333 PolarHBondContact OE2-NZ 3.28Å; L319-K333 HydrophobicContact CD1-CG 4.15Å; L319-K333 HydrophobicContact CD2-CD 4.44Å; L329-K333 WeakPolarHBondContact O-CB 3.41Å; L329-K333 PolarHBondContact O-N 3.11Å; R330-K333 PolarHBondContact O-N 3.39Å; K333-K335 PolarHBondContact O-N 2.93Å; K333-K336 WeakPolarHBondContact O-CB 3.35Å; K333-K336 PolarHBondContact O-N 3.26Å; K333-K336 VanDerWaalsContact O-N 3.12Å; K333-D337 VanDerWaalsContact O-CG 3.26Å; K333-D337 PolarHBondContact O-N 3.21Å |
| 334 | E | 96.6 | Very high | 95.5 | Very high | 19 Ų | 19 | 35.3 Ų | 35.3 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 178.8 | -67.5 | -74.4 | -176.4 | 0 | 0 | 111.7 | L256 L285 R290 R330 F331 K336 D337 I338 | L256-E334 HydrophobicContact CD1-CB 3.82Å; L256-E334 HydrophobicContact CD1-CG 4.49Å; L256-E334 HydrophobicContact CD2-CB 4.28Å; L285-E334 HydrophobicContact CD2-CB 3.93Å; L285-E334 HydrophobicContact CD2-CG 3.46Å; L285-E334 VanDerWaalsContact CD2-CG 3.46Å; L285-E334 WeakPolarHBondContact CD2-OE1 3.47Å; L285-E334 WeakPolarHBondContact CD2-OE2 3.48Å; R290-E334 IonicContact CZ-OE1 3.11Å; R290-E334 IonicContact CZ-OE2 3.02Å; R290-E334 IonicContact NE-OE1 3.05Å; R290-E334 IonicContact NE-OE2 2.89Å; R290-E334 PolarHBondContact NE-OE2 3.43Å; R290-E334 IonicContact NH2-OE1 3.54Å; R290-E334 PolarHBondContact NH2-OE1 2.99Å; R290-E334 IonicContact NH2-OE2 3.96Å; R290-E334 PolarHBondContact NH2-OE2 3.3Å; R330-E334 HydrophobicContact CG-CG 4.03Å; R330-E334 WeakPolarHBondContact O-CB 3.45Å; R330-E334 VanDerWaalsContact O-CG 3.25Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.4Å; F331-E334 PolarHBondContact O-N 2.81Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.39Å; E334-D337 PolarHBondContact O-N 3.26Å; E334-I338 WeakPolarHBondContact O-CB 3.25Å; E334-I338 WeakPolarHBondContact O-CD1 3.33Å; E334-I338 WeakPolarHBondContact O-CG1 3.41Å; E334-I338 PolarHBondContact O-N 3.39Å |
| 335 | K | 97.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 34.7 Ų | 34.7 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53.3 | -51 | 169.9 | -80.2 | -174.9 | 52.3 | 171.6 | 0 | 111 | L256 W259 E311 T315 E318 F331 K333 L339 | L256-K335 HydrophobicContact CD2-CG 3.84Å; W259-K335 HydrophobicContact CD2-CD 4.01Å; W259-K335 HydrophobicContact CD2-CG 3.79Å; W259-K335 VanDerWaalsContact CE2-CE 3.43Å; W259-K335 HydrophobicContact CE3-CG 3.87Å; W259-K335 HydrophobicContact CG-CD 4.18Å; W259-K335 HydrophobicContact CG-CG 4.41Å; W259-K335 HydrophobicContact CH2-CB 4.05Å; W259-K335 HydrophobicContact CH2-CG 4Å; W259-K335 HydrophobicContact CZ2-CB 4.14Å; W259-K335 HydrophobicContact CZ2-CD 4.32Å; W259-K335 HydrophobicContact CZ2-CG 3.94Å; W259-K335 HydrophobicContact CZ3-CB 4.37Å; W259-K335 HydrophobicContact CZ3-CG 3.97Å; W259-K335 VanDerWaalsContact NE1-CE 3.3Å; E311-K335 IonicContact OE1-NZ 2.96Å; E311-K335 PolarHBondContact OE1-NZ 2.88Å; T315-K335 HydrophobicContact CG2-CB 3.51Å; T315-K335 HydrophobicContact CG2-CD 4.46Å; T315-K335 WeakPolarHBondContact OG1-CE 3.26Å; T315-K335 PolarHBondContact OG1-NZ 3.4Å; E318-K335 IonicContact OE1-NZ 3Å; E318-K335 IonicContact OE2-NZ 2.75Å; E318-K335 PolarHBondContact OE2-NZ 3.22Å; F331-K335 HydrophobicContact CD1-CD 4.29Å; F331-K335 HydrophobicContact CE1-CD 3.58Å; F331-K335 HydrophobicContact CE1-CG 4.37Å; F331-K335 HydrophobicContact CE2-CD 4.04Å; F331-K335 HydrophobicContact CE2-CG 4.08Å; F331-K335 HydrophobicContact CZ-CD 3.44Å; F331-K335 VanDerWaalsContact CZ-CD 3.44Å; F331-K335 HydrophobicContact CZ-CG 4.01Å; F331-K335 WeakPolarHBondContact O-CG 3.43Å; F331-K335 PolarHBondContact O-N 2.91Å; K333-K335 PolarHBondContact O-N 2.93Å; K335-L339 WeakPolarHBondContact O-CD1 3.38Å; K335-L339 VanDerWaalsContact O-CG 3.25Å; K335-L339 WeakPolarHBondContact O-CG 3.27Å; K335-L339 PolarHBondContact O-N 2.94Å |
| 336 | K | 97.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 34 Ų | 34 | 26% | 0.261 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | -179.3 | 175.7 | 170.2 | 173.9 | 150.1 | 0 | 111.3 | L312 T315 E316 L319 Y332 K333 E334 I338 L339 M340 | L312-K336 HydrophobicContact CD1-CG 4.1Å; T315-K336 HydrophobicContact CG2-CB 4.01Å; E316-K336 HydrophobicContact CG-CD 4.32Å; E316-K336 IonicContact OE1-NZ 3.89Å; E316-K336 PolarHBondContact OE1-NZ 3.01Å; L319-K336 HydrophobicContact CD2-CD 4.33Å; Y332-K336 PolarHBondContact O-N 2.95Å; Y332-K336 VanDerWaalsContact O-N 3.08Å; K333-K336 WeakPolarHBondContact O-CB 3.35Å; K333-K336 PolarHBondContact O-N 3.26Å; K333-K336 VanDerWaalsContact O-N 3.12Å; E334-K336 VanDerWaalsContact C-N 3.32Å; E334-K336 PolarHBondContact O-N 3.39Å; K336-I338 PolarHBondContact O-N 3.1Å; K336-L339 PolarHBondContact O-N 2.95Å; K336-M340 HydrophobicContact CG-CG 4.36Å; K336-M340 WeakPolarHBondContact O-CB 3.49Å; K336-M340 VanDerWaalsContact O-CG 3.3Å; K336-M340 WeakPolarHBondContact O-CG 3.31Å; K336-M340 PolarHBondContact O-N 3.29Å |
| 337 | D | 96.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 37 Ų | 37 | 36% | 0.358 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -66.2 | -39.7 | -176.8 | -66.3 | -18.4 | 0 | 0 | 0 | 111.4 | K333 E334 M340 L341 | K333-D337 VanDerWaalsContact O-CG 3.26Å; K333-D337 PolarHBondContact O-N 3.21Å; E334-D337 PolarHBondContact O-N 3.26Å; D337-M340 PolarHBondContact O-N 3.16Å; D337-L341 WeakPolarHBondContact O-CB 3.5Å; D337-L341 PolarHBondContact O-N 3.02Å |
| 338 | I | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.2 | -43.7 | 174 | -70.1 | 163.6 | 0 | 0 | 0 | 111.6 | L256 W259 R290 M293 A294 E334 K336 L341 A342 | L256-I338 HydrophobicContact CD1-CD1 4.33Å; L256-I338 HydrophobicContact CD2-CD1 4.17Å; W259-I338 HydrophobicContact CH2-CG2 4.39Å; W259-I338 HydrophobicContact CZ3-CD1 4.37Å; W259-I338 HydrophobicContact CZ3-CG2 4.25Å; R290-I338 HydrophobicContact CB-CG1 4.23Å; R290-I338 HydrophobicContact CG-CG1 4.16Å; M293-I338 HydrophobicContact CB-CD1 4.25Å; M293-I338 HydrophobicContact CB-CG2 3.77Å; M293-I338 HydrophobicContact SD-CD1 3.64Å; A294-I338 HydrophobicContact CB-CG2 4.31Å; E334-I338 WeakPolarHBondContact O-CB 3.25Å; E334-I338 WeakPolarHBondContact O-CD1 3.33Å; E334-I338 WeakPolarHBondContact O-CG1 3.41Å; E334-I338 PolarHBondContact O-N 3.39Å; K336-I338 PolarHBondContact O-N 3.1Å; I338-L341 WeakPolarHBondContact O-CB 3.29Å; I338-L341 PolarHBondContact O-N 3.29Å; I338-A342 PolarHBondContact O-N 2.91Å |
| 339 | L | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -42.2 | 177.3 | -69.1 | 165.7 | 0 | 0 | 0 | 111.4 | W259 W297 I308 E311 L312 K335 K336 L341 A342 V343 | W259-L339 HydrophobicContact CH2-CD1 4.29Å; W259-L339 HydrophobicContact CH2-CD2 4.15Å; W259-L339 HydrophobicContact CH2-CG 3.92Å; W259-L339 HydrophobicContact CZ2-CD1 4.02Å; W259-L339 HydrophobicContact CZ2-CD2 4.12Å; W259-L339 HydrophobicContact CZ2-CG 4.06Å; W297-L339 HydrophobicContact CD2-CD2 3.74Å; W297-L339 HydrophobicContact CE3-CD2 4.1Å; W297-L339 HydrophobicContact CG-CD2 3.98Å; W297-L339 HydrophobicContact CZ2-CD2 4.48Å; I308-L339 HydrophobicContact CG2-CD2 4.26Å; E311-L339 HydrophobicContact CB-CD1 4.28Å; E311-L339 HydrophobicContact CB-CD2 4.24Å; E311-L339 HydrophobicContact CG-CD1 3.86Å; E311-L339 HydrophobicContact CG-CD2 4.1Å; L312-L339 HydrophobicContact CB-CD1 4.18Å; L312-L339 HydrophobicContact CD1-CB 4Å; L312-L339 HydrophobicContact CD1-CD1 4.13Å; K335-L339 WeakPolarHBondContact O-CD1 3.38Å; K335-L339 VanDerWaalsContact O-CG 3.25Å; K335-L339 WeakPolarHBondContact O-CG 3.27Å; K335-L339 PolarHBondContact O-N 2.94Å; K336-L339 PolarHBondContact O-N 2.95Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 3.01Å; L339-A342 WeakPolarHBondContact O-CB 3.48Å; L339-A342 PolarHBondContact O-N 3.21Å; L339-A342 VanDerWaalsContact O-N 3.15Å; L339-V343 WeakPolarHBondContact O-CG2 3.3Å; L339-V343 PolarHBondContact O-N 3.25Å |
| 340 | M | 97.1 | Very high | 94.2 | Very high | 93 Ų | 93 | 42 Ų | 42 | 46% | 0.458 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -37.9 | 175.4 | -72.9 | -60.3 | -58.7 | 0 | 0 | 111.8 | L312 K336 D337 A342 V343 G344 | L312-M340 HydrophobicContact CD1-CG 4.41Å; L312-M340 HydrophobicContact CD1-SD 4.35Å; L312-M340 HydrophobicContact CD2-SD 3.88Å; K336-M340 HydrophobicContact CG-CG 4.36Å; K336-M340 WeakPolarHBondContact O-CB 3.49Å; K336-M340 VanDerWaalsContact O-CG 3.3Å; K336-M340 WeakPolarHBondContact O-CG 3.31Å; K336-M340 PolarHBondContact O-N 3.29Å; D337-M340 PolarHBondContact O-N 3.16Å; M340-A342 VanDerWaalsContact C-N 3.34Å; M340-V343 PolarHBondContact O-N 3.3Å; M340-G344 PolarHBondContact O-N 3.2Å |
| 341 | L | 97.4 | Very high | 93.3 | Very high | 67 Ų | 67 | 44 Ų | 44 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.3 | -177.6 | 62.4 | 0 | 0 | 0 | 111.2 | R290 A294 D337 I338 L339 G344 Q345 | R290-L341 HydrophobicContact CB-CD2 4.33Å; A294-L341 HydrophobicContact CB-CB 4.06Å; A294-L341 HydrophobicContact CB-CD2 3.81Å; A294-L341 HydrophobicContact CB-CG 3.83Å; D337-L341 WeakPolarHBondContact O-CB 3.5Å; D337-L341 PolarHBondContact O-N 3.02Å; I338-L341 WeakPolarHBondContact O-CB 3.29Å; I338-L341 PolarHBondContact O-N 3.29Å; L339-L341 VanDerWaalsContact C-N 3.3Å; L339-L341 PolarHBondContact O-N 3.01Å; L341-G344 PolarHBondContact O-N 3.41Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.77Å |
| 342 | A | 96.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | A294 W297 V298 I308 I338 L339 M340 G344 Q345 L346 | A294-A342 HydrophobicContact CB-CB 4.06Å; W297-A342 HydrophobicContact CB-CB 3.99Å; V298-A342 HydrophobicContact CG2-CB 3.89Å; I308-A342 HydrophobicContact CD1-CB 3.91Å; I338-A342 PolarHBondContact O-N 2.91Å; L339-A342 WeakPolarHBondContact O-CB 3.48Å; L339-A342 PolarHBondContact O-N 3.21Å; L339-A342 VanDerWaalsContact O-N 3.15Å; M340-A342 VanDerWaalsContact C-N 3.34Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.97Å; A342-Q345 PolarHBondContact O-N 3.3Å; A342-L346 PolarHBondContact O-N 3.07Å |
| 343 | V | 96.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 50.7 Ų | 50.7 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 173.2 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | I308 L339 M340 L346 S347 | I308-V343 HydrophobicContact CG2-CG2 3.59Å; L339-V343 WeakPolarHBondContact O-CG2 3.3Å; L339-V343 PolarHBondContact O-N 3.25Å; M340-V343 PolarHBondContact O-N 3.3Å; V343-L346 PolarHBondContact O-N 2.76Å; V343-S347 WeakPolarHBondContact O-CB 3.15Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 3.19Å |
| 344 | G | 94.9 | Very high | 88.7 | Confident | 42 Ų | 42 | 56.1 Ų | 56.1 | 43% | 0.433 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.3 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M340 L341 A342 L346 S347 A348 | M340-G344 PolarHBondContact O-N 3.2Å; L341-G344 PolarHBondContact O-N 3.41Å; A342-G344 VanDerWaalsContact C-N 3.31Å; A342-G344 PolarHBondContact O-N 2.97Å; G344-L346 PolarHBondContact O-N 3.48Å; G344-S347 PolarHBondContact O-N 3.46Å; G344-A348 PolarHBondContact O-N 3.27Å |
| 345 | Q | 93.9 | Very high | 86.5 | Confident | 58 Ų | 58 | 59.8 Ų | 59.8 | 27% | 0.271 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 176.9 | -69.9 | 177.7 | 15.6 | 0 | 0 | 112.2 | V298 L341 A342 A348 A349 | V298-Q345 HydrophobicContact CG2-CB 4.08Å; L341-Q345 WeakPolarHBondContact O-CG 3.4Å; L341-Q345 PolarHBondContact O-N 2.77Å; A342-Q345 PolarHBondContact O-N 3.3Å; Q345-A348 PolarHBondContact O-N 3.19Å; Q345-A349 PolarHBondContact O-N 2.92Å |
| 346 | L | 91.3 | Very high | 84.3 | Confident | 34 Ų | 34 | 65.6 Ų | 65.6 | 18% | 0.178 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 174.8 | -76.4 | 166.5 | 0 | 0 | 0 | 112.2 | V298 E301 I308 A342 V343 G344 A348 A349 N350 | V298-L346 HydrophobicContact CG1-CD2 3.81Å; V298-L346 HydrophobicContact CG1-CG 4.2Å; V298-L346 HydrophobicContact CG2-CG 4.13Å; E301-L346 HydrophobicContact CB-CD1 4.19Å; E301-L346 HydrophobicContact CG-CD1 3.8Å; I308-L346 HydrophobicContact CD1-CD1 3.62Å; A342-L346 PolarHBondContact O-N 3.07Å; V343-L346 PolarHBondContact O-N 2.76Å; G344-L346 PolarHBondContact O-N 3.48Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 3.05Å; L346-A349 PolarHBondContact O-N 2.85Å; L346-N350 WeakPolarHBondContact O-CB 3.25Å; L346-N350 PolarHBondContact O-N 3.34Å; L346-N350 PolarHBondContact O-ND2 2.81Å |
| 347 | S | 89.9 | Confident | 81.8 | Confident | 69 Ų | 69 | 74.4 Ų | 74.4 | 48% | 0.483 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 179 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | V343 G344 N350 A351 | V343-S347 WeakPolarHBondContact O-CB 3.15Å; V343-S347 PolarHBondContact O-N 2.85Å; V343-S347 PolarHBondContact O-OG 3.19Å; G344-S347 PolarHBondContact O-N 3.46Å; S347-N350 PolarHBondContact O-N 3.34Å; S347-A351 WeakPolarHBondContact O-CB 3.16Å; S347-A351 PolarHBondContact O-N 2.94Å |
| 348 | A | 87.6 | Confident | 81.1 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 51% | 0.512 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G344 Q345 L346 A351 A352 | G344-A348 PolarHBondContact O-N 3.27Å; Q345-A348 PolarHBondContact O-N 3.19Å; L346-A348 VanDerWaalsContact C-N 3.33Å; L346-A348 PolarHBondContact O-N 3.05Å; A348-A351 PolarHBondContact O-N 3.46Å; A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 3.17Å |
| 349 | A | 83.7 | Confident | 80.2 | Confident | 54 Ų | 54 | 78.7 Ų | 78.7 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q345 L346 A352 T353 | Q345-A349 PolarHBondContact O-N 2.92Å; L346-A349 PolarHBondContact O-N 2.85Å; A349-A352 PolarHBondContact O-N 2.85Å; A349-T353 PolarHBondContact O-N 2.89Å; A349-T353 PolarHBondContact O-OG1 2.68Å |
| 350 | N | 81.3 | Confident | 79.2 | Confident | 101 Ų | 101 | 83.1 Ų | 83.1 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 176 | -68.8 | -17.2 | 0 | 0 | 0 | 112.4 | L346 S347 T353 | L346-N350 WeakPolarHBondContact O-CB 3.25Å; L346-N350 PolarHBondContact O-N 3.34Å; L346-N350 PolarHBondContact O-ND2 2.81Å; S347-N350 PolarHBondContact O-N 3.34Å; N350-T353 WeakPolarHBondContact CA-OG1 3.4Å; N350-T353 PolarHBondContact O-N 3.4Å; N350-T353 PolarHBondContact O-OG1 3.38Å |
| 351 | A | 77.1 | Confident | 78.1 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.1 | -37.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S347 A348 T353 L354 | S347-A351 WeakPolarHBondContact O-CB 3.16Å; S347-A351 PolarHBondContact O-N 2.94Å; A348-A351 PolarHBondContact O-N 3.46Å; A351-T353 PolarHBondContact O-N 2.7Å; A351-L354 PolarHBondContact O-N 3.17Å |
| 352 | A | 73.1 | Confident | 76.9 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.9 | -17.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A348 A349 | A348-A352 WeakPolarHBondContact O-CB 3.4Å; A348-A352 PolarHBondContact O-N 3.17Å; A349-A352 PolarHBondContact O-N 2.85Å |
| 353 | T | 66.8 | Low | 75.6 | Confident | 109 Ų | 109 | 89 Ų | 89 | 67% | 0.669 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | -5.5 | -178.1 | 36.4 | 0 | 0 | 0 | 0 | 113.8 | A349 N350 A351 | A349-T353 PolarHBondContact O-N 2.89Å; A349-T353 PolarHBondContact O-OG1 2.68Å; N350-T353 WeakPolarHBondContact CA-OG1 3.4Å; N350-T353 PolarHBondContact O-N 3.4Å; N350-T353 PolarHBondContact O-OG1 3.38Å; A351-T353 PolarHBondContact O-N 2.7Å |
| 354 | L | 51.1 | Low | 74.1 | Confident | 130 Ų | 130 | 91.5 Ų | 91.5 | 68% | 0.681 | 58% | 0.581 | S | S | * | * | S | Bend | trans | -85.4 | 121.6 | 172.9 | -81.7 | 152.6 | 0 | 0 | 0 | 110 | A351 S356 | A351-L354 PolarHBondContact O-N 3.17Å; L354-S356 PolarHBondContact O-N 2.61Å |
| 355 | P | 50.2 | Low | 72.5 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 62% | 0.617 | 59% | 0.592 | S | S | * | * | trans | -63.8 | 133.4 | 176.1 | 24.6 | -29.9 | 0 | 0 | 0 | 109.9 | H357 | P355-H357 PolarHBondContact O-N 2.63Å; P355-H357 VanDerWaalsContact O-N 3.09Å | ||
| 356 | S | 52.7 | Low | 70.7 | Confident | 128 Ų | 128 | 98.4 Ų | 98.4 | 90% | 0.895 | 62% | 0.619 | S | S | * | * | trans | -66.2 | 106.7 | 169.6 | -51.1 | 0 | 0 | 0 | 0 | 107.2 | L354 | L354-S356 PolarHBondContact O-N 2.61Š| ||
| 357 | H | 44 | Very low | 68.8 | Low | 245 Ų | 245 | 104.3 Ų | 104.3 | 100% | 1.134 | 66% | 0.659 | S | S | * | * | trans | -80.3 | 0 | 176.8 | -94.3 | -71.4 | 0 | 0 | 0 | 112 | P355 | P355-H357 PolarHBondContact O-N 2.63Å; P355-H357 VanDerWaalsContact O-N 3.09Å |
Retrieved 357 of 357 residues in 269.6 ms
(Link to these results)