| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.9 | Very low | 36.9 | Very low | 248 Ų | 248 | 183.6 Ų | 183.6 | 100% | 1.222 | 88% | 0.878 | S | S | * | * | 0 | 137.3 | 0 | -86.3 | 173 | -175.2 | 0 | 0 | 108.5 | |||||
| 2 | M | 34.7 | Very low | 36.4 | Very low | 198 Ų | 198 | 187.5 Ų | 187.5 | 98% | 0.975 | 88% | 0.877 | S | S | * | * | trans | -62.3 | 148.5 | -160.6 | -76.9 | 177.4 | 158.4 | 0 | 0 | 116.2 | ||||
| 3 | L | 36.3 | Very low | 36 | Very low | 168 Ų | 168 | 191.5 Ų | 191.5 | 88% | 0.88 | 88% | 0.88 | S | S | * | * | trans | -69.1 | 178.2 | 158 | -97.4 | 169.5 | 0 | 0 | 0 | 111.4 | ||||
| 4 | P | 52.8 | Low | 35.6 | Very low | 113 Ų | 113 | 184.3 Ų | 184.3 | 73% | 0.734 | 86% | 0.862 | S | S | * | * | trans | -106.3 | 178.9 | -134.4 | 42.6 | -34.5 | 0 | 0 | 0 | 114.1 | ||||
| 5 | R | 35.9 | Very low | 35.1 | Very low | 242 Ų | 242 | 182.9 Ų | 182.9 | 91% | 0.913 | 86% | 0.863 | S | S | * | * | trans | -138.8 | 117.5 | 163.8 | -120.9 | 178.7 | -178.5 | 177.6 | 0 | 112.7 | ||||
| 6 | R | 36.9 | Very low | 34.8 | Very low | 234 Ų | 234 | 175.7 Ų | 175.7 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -75.5 | 145.2 | 153.2 | -104 | 179.1 | 170.6 | 179.3 | -2.7 | 108.7 | ||||
| 7 | Q | 35.1 | Very low | 34.5 | Very low | 175 Ų | 175 | 172.8 Ų | 172.8 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | -162.1 | 126.1 | 134.6 | -122.1 | 169.4 | -2.7 | 0 | 0 | 112.4 | ||||
| 8 | D | 33.3 | Very low | 34.5 | Very low | 145 Ų | 145 | 176.3 Ų | 176.3 | 78% | 0.775 | 85% | 0.85 | S | S | * | * | trans | -65.7 | 156.6 | 161.7 | -84.4 | -53.2 | 0 | 0 | 0 | 112.5 | ||||
| 9 | Y | 35.6 | Very low | 34.3 | Very low | 230 Ų | 230 | 173.1 Ų | 173.1 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -168.3 | 117.3 | 135.9 | -103 | -78.5 | 0 | 0 | 0 | 106.2 | ||||
| 10 | G | 33 | Very low | 34.1 | Very low | 67 Ų | 67 | 167.9 Ų | 167.9 | 69% | 0.691 | 84% | 0.841 | S | S | * | * | 107.9 | 93.7 | 71.2 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 11 | K | 30.5 | Very low | 34.1 | Very low | 200 Ų | 200 | 165.3 Ų | 165.3 | 87% | 0.87 | 84% | 0.838 | S | S | * | * | 66.6 | 115.5 | 87.7 | -155.4 | -176.5 | -166.2 | 177.3 | 0 | 116.1 | |||||
| 12 | R | 31.3 | Very low | 33.6 | Very low | 230 Ų | 230 | 159 Ų | 159 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 154.4 | 121.9 | 131.7 | -84.3 | 178.7 | -169.9 | -147.6 | 3.5 | 109.5 | ||||
| 13 | R | 30.2 | Very low | 33.6 | Very low | 240 Ų | 240 | 157 Ų | 157 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | 49.4 | 132.7 | 77.5 | -87.4 | -170.3 | 178.3 | -175.6 | -1 | 111.3 | |||||
| 14 | S | 30.2 | Very low | 33.3 | Very low | 90 Ų | 90 | 155 Ų | 155 | 63% | 0.629 | 80% | 0.795 | S | S | * | * | cis | 175.4 | 154.3 | 32.6 | 21.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 15 | D | 29.2 | Very low | 32.2 | Very low | 164 Ų | 164 | 159.7 Ų | 159.7 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | 64.2 | 142.1 | 137 | -55.3 | -23.4 | 0 | 0 | 0 | 124.6 | ||||
| 16 | G | 29.3 | Very low | 31.8 | Very low | 67 Ų | 67 | 158.8 Ų | 158.8 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | trans | 115 | 95.5 | 141.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 17 | V | 30.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 152.9 Ų | 152.9 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | 88.9 | 130 | 66 | 173 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 18 | R | 34.4 | Very low | 31.2 | Very low | 236 Ų | 236 | 149.5 Ų | 149.5 | 89% | 0.891 | 80% | 0.798 | S | S | * | * | trans | 72.8 | 147.1 | 159 | -80.9 | 165.8 | -178.1 | -166.7 | -1.8 | 117.4 | ||||
| 19 | S | 31.7 | Very low | 30.9 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | cis | -161.6 | 140.4 | 29.8 | -163.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | G | 29.2 | Very low | 30.7 | Very low | 70 Ų | 70 | 141.1 Ų | 141.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | 84.6 | 139.5 | 110.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 21 | S | 33.4 | Very low | 31.2 | Very low | 113 Ų | 113 | 144.2 Ų | 144.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | cis | -174.4 | 141.9 | 16.3 | -121.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 22 | V | 32.6 | Very low | 31 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | trans | 55.4 | 131.8 | 135.6 | -146.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 23 | I | 34 | Very low | 31.1 | Very low | 157 Ų | 157 | 133 Ų | 133 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -161.1 | 145 | 63.7 | -69.8 | 155.6 | 0 | 0 | 0 | 112.4 | |||||
| 24 | N | 30.2 | Very low | 31.1 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 67% | 0.668 | 79% | 0.794 | S | S | * | * | trans | -52.3 | 156.6 | 175.3 | -68.2 | -45.7 | 0 | 0 | 0 | 117.7 | ||||
| 25 | F | 30 | Very low | 31.2 | Very low | 213 Ų | 213 | 134.5 Ų | 134.5 | 93% | 0.934 | 81% | 0.805 | S | S | * | * | -146.1 | 132.9 | 117.1 | -114.5 | -82.8 | 0 | 0 | 0 | 111.8 | |||||
| 26 | R | 28.2 | Very low | 31.2 | Very low | 222 Ų | 222 | 138.2 Ų | 138.2 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 150 | 178 | -74.3 | 173.1 | 163.5 | 179.9 | -5.2 | 110.7 | ||||
| 27 | S | 28.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 141 Ų | 141 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 170.7 | 115.3 | 109.7 | 85.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 28 | A | 29.9 | Very low | 31.3 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | 81.4 | 116.7 | 81.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 29 | G | 26.6 | Very low | 31.2 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 161.6 | 84 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 30 | S | 32.3 | Very low | 31.2 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -134.8 | 151 | 149.9 | -98.7 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 31 | P | 42.6 | Very low | 31.4 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | cis | -140.3 | 166.7 | 37.4 | 36.5 | -16.3 | 0 | 0 | 0 | 115.5 | ||||
| 32 | G | 27.3 | Very low | 31.5 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -173 | 89.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 33 | S | 33 | Very low | 31.7 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -61.2 | 131.4 | 163.6 | 168.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 34 | V | 29.7 | Very low | 31.8 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | -172.5 | 129.4 | 125.9 | 169.8 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 35 | R | 33.7 | Very low | 32.1 | Very low | 229 Ų | 229 | 137.7 Ų | 137.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -28.5 | 138 | 167.8 | -70.6 | 165.4 | 161.5 | 175.3 | -6 | 117.2 | ||||
| 36 | R | 28.8 | Very low | 32.6 | Very low | 243 Ų | 243 | 131.9 Ų | 131.9 | 92% | 0.917 | 79% | 0.793 | S | S | * | * | -179.8 | 115.2 | 99 | -99.3 | 179.3 | 176.7 | 174.3 | -0.2 | 110.5 | |||||
| 37 | S | 32.8 | Very low | 33 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 132.8 | 167.8 | -45.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 38 | S | 29.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -131 | 93.1 | 158.2 | 44.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 39 | A | 30.5 | Very low | 33.9 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -66.5 | 126.7 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | L41 | A39-L41 PolarHBondContact O-N 3.22Š| ||
| 40 | L | 33.3 | Very low | 34.6 | Very low | 178 Ų | 178 | 132 Ų | 132 | 93% | 0.932 | 76% | 0.763 | S | S | * | * | trans | -74.9 | 102.7 | 167 | -71.2 | 165.3 | 0 | 0 | 0 | 107.7 | ||||
| 41 | L | 32.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 135.3 | 169.7 | -75.8 | 160.4 | 0 | 0 | 0 | 109.7 | A39 S43 | A39-L41 PolarHBondContact O-N 3.22Å; L41-S43 PolarHBondContact O-N 3.24Å |
| 42 | P | 35.7 | Very low | 35.1 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 121.4 | 167.5 | -15.5 | 28.8 | 0 | 0 | 0 | 109.3 | ||
| 43 | S | 36.4 | Very low | 36.4 | Very low | 80 Ų | 80 | 127.9 Ų | 127.9 | 56% | 0.559 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 137.8 | -175.9 | 67.6 | 0 | 0 | 0 | 0 | 112.1 | L41 L45 | L41-S43 PolarHBondContact O-N 3.24Å; S43-L45 PolarHBondContact O-N 2.72Å |
| 44 | V | 36.3 | Very low | 37.1 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 74% | 0.739 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -37.1 | -5.7 | 172.3 | 178.5 | 0 | 0 | 0 | 0 | 117.3 | F47 | V44-F47 PolarHBondContact O-N 3.49Š|
| 45 | L | 36.6 | Very low | 37.9 | Very low | 132 Ų | 132 | 118.9 Ų | 118.9 | 69% | 0.691 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -72.6 | -21.1 | 176.9 | -97 | 135.7 | 0 | 0 | 0 | 114.9 | S43 F47 | S43-L45 PolarHBondContact O-N 2.72Å; L45-F47 VanDerWaalsContact C-N 3.34Å |
| 46 | T | 40.3 | Very low | 38.8 | Very low | 92 Ų | 92 | 111 Ų | 111 | 56% | 0.564 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -81.4 | -12.4 | 176.2 | 46.5 | 0 | 0 | 0 | 0 | 113.7 | ||
| 47 | F | 37.7 | Very low | 39.8 | Very low | 154 Ų | 154 | 104.7 Ų | 104.7 | 68% | 0.675 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -14.5 | 179.4 | -97 | -87.4 | 0 | 0 | 0 | 114.7 | V44 L45 V49 | V44-F47 PolarHBondContact O-N 3.49Å; L45-F47 VanDerWaalsContact C-N 3.34Å; F47-V49 PolarHBondContact O-N 3.39Å |
| 48 | L | 34.1 | Very low | 40.8 | Very low | 143 Ų | 143 | 101.3 Ų | 101.3 | 75% | 0.749 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -8.5 | 172.4 | -78.2 | 168.5 | 0 | 0 | 0 | 113.5 | ||
| 49 | V | 42.3 | Very low | 41.9 | Very low | 112 Ų | 112 | 97.8 Ų | 97.8 | 68% | 0.679 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.9 | -11.2 | -179.7 | -178.5 | 0 | 0 | 0 | 0 | 112.9 | F47 | F47-V49 PolarHBondContact O-N 3.39Š|
| 50 | I | 41.1 | Very low | 43 | Very low | 111 Ų | 111 | 98.1 Ų | 98.1 | 57% | 0.569 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -11.7 | -171.8 | -59.9 | 179.1 | 0 | 0 | 0 | 114.1 | A52 S53 | I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.37Å; I50-S53 PolarHBondContact O-OG 3.2Å |
| 51 | V | 39 | Very low | 43.9 | Very low | 129 Ų | 129 | 97 Ų | 97 | 78% | 0.782 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -82.5 | -7.6 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | ||
| 52 | A | 46.6 | Very low | 44.9 | Very low | 39 Ų | 39 | 95.6 Ų | 95.6 | 32% | 0.322 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -111.7 | 50 | -175 | 0 | 0 | 0 | 0 | 0 | 112.9 | I50 L56 | I50-A52 VanDerWaalsContact C-N 3.27Å; I50-A52 PolarHBondContact O-N 3.37Å; A52-L56 VanDerWaalsContact C-CB 3.49Å; A52-L56 HydrophobicContact CB-CB 4.08Å; A52-L56 HydrophobicContact CB-CD1 4.38Å; A52-L56 HydrophobicContact CB-CD2 4Å; A52-L56 HydrophobicContact CB-CG 4.39Å; A52-L56 WeakPolarHBondContact O-CB 2.92Å; A52-L56 WeakPolarHBondContact O-CD2 3.09Å |
| 53 | S | 56.2 | Low | 45.4 | Very low | 72 Ų | 72 | 91.9 Ų | 91.9 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -126 | -11.7 | -179.1 | 43.9 | 0 | 0 | 0 | 0 | 115.2 | I50 | I50-S53 PolarHBondContact O-OG 3.2Š|
| 54 | G | 47.2 | Very low | 46.4 | Very low | 41 Ų | 41 | 88.5 Ų | 88.5 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -99.2 | -56 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L57 L58 | G54-L57 PolarHBondContact O-N 3.32Å; G54-L58 PolarHBondContact O-N 3.35Å |
| 55 | G | 46.7 | Very low | 46.8 | Very low | 20 Ų | 20 | 85.6 Ų | 85.6 | 21% | 0.206 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | L57 L58 M59 | G55-L57 VanDerWaalsContact C-N 3.35Å; G55-L58 PolarHBondContact O-N 3.35Å; G55-M59 WeakPolarHBondContact O-CB 3.47Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 2.88Å |
| 56 | L | 51.5 | Low | 47 | Very low | 62 Ų | 62 | 86.7 Ų | 86.7 | 33% | 0.325 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175.1 | -161 | 76.1 | 0 | 0 | 0 | 111.4 | A52 M59 I60 L65 | A52-L56 VanDerWaalsContact C-CB 3.49Å; A52-L56 HydrophobicContact CB-CB 4.08Å; A52-L56 HydrophobicContact CB-CD1 4.38Å; A52-L56 HydrophobicContact CB-CD2 4Å; A52-L56 HydrophobicContact CB-CG 4.39Å; A52-L56 WeakPolarHBondContact O-CB 2.92Å; A52-L56 WeakPolarHBondContact O-CD2 3.09Å; L56-M59 CarbonylContact O-C 3.52Å; L56-M59 PolarHBondContact O-N 3.28Å; L56-I60 HydrophobicContact CD2-CD1 4.22Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 WeakPolarHBondContact O-CB 3.37Å; L56-I60 WeakPolarHBondContact O-CD1 3.02Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.49Å; L56-L65 HydrophobicContact CD1-CD1 3.32Å; L56-L65 HydrophobicContact CD1-CD2 4.15Å; L56-L65 HydrophobicContact CD1-CG 4.34Å; L56-L65 HydrophobicContact CD2-CD1 4.45Å; L56-L65 HydrophobicContact CG-CD1 3.67Å |
| 57 | L | 51 | Low | 47.1 | Very low | 111 Ų | 111 | 87.5 Ų | 87.5 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 177.7 | -126.7 | 99.6 | 0 | 0 | 0 | 111.5 | G54 G55 I60 E61 | G54-L57 PolarHBondContact O-N 3.32Å; G55-L57 VanDerWaalsContact C-N 3.35Å; L57-I60 CarbonylContact O-C 3.37Å; L57-I60 PolarHBondContact O-N 3.46Å; L57-E61 VanDerWaalsContact O-CB 3.24Å; L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.08Å |
| 58 | L | 52.8 | Low | 47 | Very low | 56 Ų | 56 | 84.8 Ų | 84.8 | 29% | 0.293 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.7 | -34.8 | 173.8 | -74 | 173.3 | 0 | 0 | 0 | 112.6 | G54 G55 I60 K62 P351 | G54-L58 PolarHBondContact O-N 3.35Å; G55-L58 PolarHBondContact O-N 3.35Å; L58-I60 VanDerWaalsContact C-N 3.32Å; L58-K62 VanDerWaalsContact O-CB 3.26Å; L58-K62 WeakPolarHBondContact O-CB 3.31Å; L58-K62 WeakPolarHBondContact O-CG 2.98Å; L58-K62 PolarHBondContact O-N 3.04Å; L58-P351 HydrophobicContact CD1-CB 3.51Å |
| 59 | M | 52.7 | Low | 46.9 | Very low | 40 Ų | 40 | 87 Ų | 87 | 20% | 0.197 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.1 | -33.9 | 171.5 | -73.9 | 175.3 | 167.2 | 0 | 0 | 111.1 | G55 L56 G63 M64 L65 M112 | G55-M59 WeakPolarHBondContact O-CB 3.47Å; G55-M59 WeakPolarHBondContact O-CG 3.43Å; G55-M59 PolarHBondContact O-N 2.88Å; L56-M59 CarbonylContact O-C 3.52Å; L56-M59 PolarHBondContact O-N 3.28Å; M59-G63 PolarHBondContact O-N 3.23Å; M59-G63 VanDerWaalsContact O-N 3.15Å; M59-M64 HydrophobicContact CB-CB 4.14Å; M59-M64 HydrophobicContact CB-SD 4.34Å; M59-M64 HydrophobicContact CG-CE 4.28Å; M59-M64 HydrophobicContact CG-SD 3.99Å; M59-M64 WeakPolarHBondContact O-CA 3.38Å; M59-M64 VanDerWaalsContact O-CB 3.27Å; M59-M64 WeakPolarHBondContact O-CB 3.47Å; M59-M64 PolarHBondContact O-N 3.24Å; M59-L65 HydrophobicContact CB-CG 4.34Å; M59-M112 HydrophobicContact CE-CE 4.5Å |
| 60 | I | 53.3 | Low | 46.5 | Very low | 96 Ų | 96 | 87.4 Ų | 87.4 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.8 | -47 | 173.9 | -70.3 | 162.5 | 0 | 0 | 0 | 111 | L56 L57 L58 K62 G63 L65 | L56-I60 HydrophobicContact CD2-CD1 4.22Å; L56-I60 HydrophobicContact CG-CD1 3.98Å; L56-I60 WeakPolarHBondContact O-CB 3.37Å; L56-I60 WeakPolarHBondContact O-CD1 3.02Å; L56-I60 WeakPolarHBondContact O-CG1 3.23Å; L56-I60 PolarHBondContact O-N 3.49Å; L57-I60 CarbonylContact O-C 3.37Å; L57-I60 PolarHBondContact O-N 3.46Å; L58-I60 VanDerWaalsContact C-N 3.32Å; I60-K62 PolarHBondContact O-N 2.96Å; I60-G63 WeakPolarHBondContact O-CA 3.32Å; I60-G63 PolarHBondContact O-N 3.07Å; I60-L65 HydrophobicContact CD1-CD1 3.98Å; I60-L65 HydrophobicContact CG1-CD1 3.4Å; I60-L65 VanDerWaalsContact CG1-CD1 3.4Å; I60-L65 HydrophobicContact CG1-CG 4.28Å |
| 61 | E | 51.6 | Low | 46 | Very low | 153 Ų | 153 | 88 Ų | 88 | 72% | 0.715 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -32.9 | 178.4 | -168.8 | 178.3 | -174.3 | 0 | 0 | 111.3 | L57 | L57-E61 VanDerWaalsContact O-CB 3.24Å; L57-E61 WeakPolarHBondContact O-CB 3.38Å; L57-E61 PolarHBondContact O-N 3.08Å |
| 62 | K | 53.4 | Low | 45.5 | Very low | 126 Ų | 126 | 87.1 Ų | 87.1 | 55% | 0.548 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3.7 | 170.8 | -69.1 | -170.5 | 174.1 | -176.2 | 0 | 114.4 | L58 I60 M64 N117 | L58-K62 VanDerWaalsContact O-CB 3.26Å; L58-K62 WeakPolarHBondContact O-CB 3.31Å; L58-K62 WeakPolarHBondContact O-CG 2.98Å; L58-K62 PolarHBondContact O-N 3.04Å; I60-K62 PolarHBondContact O-N 2.96Å; K62-M64 HydrophobicContact CB-CG 4.02Å; K62-M64 HydrophobicContact CB-SD 4.1Å; K62-N117 PolarHBondContact O-ND2 2.74Å |
| 63 | G | 47.6 | Very low | 45 | Very low | 38 Ų | 38 | 91.1 Ų | 91.1 | 39% | 0.392 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 22.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | M59 I60 L65 | M59-G63 PolarHBondContact O-N 3.23Å; M59-G63 VanDerWaalsContact O-N 3.15Å; I60-G63 WeakPolarHBondContact O-CA 3.32Å; I60-G63 PolarHBondContact O-N 3.07Å; G63-L65 PolarHBondContact O-N 3.43Å |
| 64 | M | 55.8 | Low | 43.9 | Very low | 10 Ų | 10 | 99.5 Ų | 99.5 | 5% | 0.049 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -83.7 | -1.2 | -171.6 | -59.4 | 175 | 61.8 | 0 | 0 | 115.4 | M59 K62 M112 Q115 N117 L355 | M59-M64 HydrophobicContact CB-CB 4.14Å; M59-M64 HydrophobicContact CB-SD 4.34Å; M59-M64 HydrophobicContact CG-CE 4.28Å; M59-M64 HydrophobicContact CG-SD 3.99Å; M59-M64 WeakPolarHBondContact O-CA 3.38Å; M59-M64 VanDerWaalsContact O-CB 3.27Å; M59-M64 WeakPolarHBondContact O-CB 3.47Å; M59-M64 PolarHBondContact O-N 3.24Å; K62-M64 HydrophobicContact CB-CG 4.02Å; K62-M64 HydrophobicContact CB-SD 4.1Å; M64-M112 HydrophobicContact CE-CE 3.45Å; M64-M112 VanDerWaalsContact CE-CE 3.45Å; M64-Q115 VanDerWaalsContact CB-OE1 3.32Å; M64-Q115 PolarHBondContact O-NE2 2.82Å; M64-N117 WeakPolarHBondContact CG-ND2 3.4Å; M64-L355 HydrophobicContact CE-CD2 4.29Å |
| 65 | L | 45.3 | Very low | 43.1 | Very low | 61 Ų | 61 | 101.6 Ų | 101.6 | 32% | 0.319 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.3 | 3.8 | -172.1 | -67.9 | -175.9 | 0 | 0 | 0 | 116.4 | L56 M59 I60 G63 S67 | L56-L65 HydrophobicContact CD1-CD1 3.32Å; L56-L65 HydrophobicContact CD1-CD2 4.15Å; L56-L65 HydrophobicContact CD1-CG 4.34Å; L56-L65 HydrophobicContact CD2-CD1 4.45Å; L56-L65 HydrophobicContact CG-CD1 3.67Å; M59-L65 HydrophobicContact CB-CG 4.34Å; I60-L65 HydrophobicContact CD1-CD1 3.98Å; I60-L65 HydrophobicContact CG1-CD1 3.4Å; I60-L65 VanDerWaalsContact CG1-CD1 3.4Å; I60-L65 HydrophobicContact CG1-CG 4.28Å; G63-L65 PolarHBondContact O-N 3.43Å; L65-S67 PolarHBondContact O-N 3.17Å |
| 66 | N | 40.4 | Very low | 42.8 | Very low | 155 Ų | 155 | 106.5 Ų | 106.5 | 83% | 0.829 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 10.1 | -171.7 | -76 | -9.4 | 0 | 0 | 0 | 115.9 | ||
| 67 | S | 43.9 | Very low | 41.9 | Very low | 108 Ų | 108 | 107.9 Ų | 107.9 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -163.8 | 35.9 | 177.6 | 52.7 | 0 | 0 | 0 | 0 | 115.9 | L65 E69 | L65-S67 PolarHBondContact O-N 3.17Å; S67-E69 PolarHBondContact O-N 3.29Å |
| 68 | V | 35.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 114.1 Ų | 114.1 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | trans | -88.4 | 92.7 | 171.6 | -175.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 69 | E | 31.4 | Very low | 40.8 | Very low | 188 Ų | 188 | 122.4 Ų | 122.4 | 88% | 0.879 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125.3 | 158.1 | -78.4 | -174.8 | 164.9 | 0 | 0 | 108.8 | S67 | S67-E69 PolarHBondContact O-N 3.29Š|
| 70 | T | 33.3 | Very low | 40 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 132.6 | 178.6 | 38.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 71 | P | 31.7 | Very low | 39 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -69 | 143.1 | 170.7 | -11.5 | 26.2 | 0 | 0 | 0 | 110.6 | ||
| 72 | S | 27.3 | Very low | 38.3 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.2 | -178.3 | -166.7 | 0 | 0 | 0 | 0 | 112.9 | R74 | S72-R74 PolarHBondContact O-N 3.14Š|
| 73 | P | 35.8 | Very low | 37.8 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | trans | -82.4 | 112.6 | -179.1 | 31.5 | -30.2 | 0 | 0 | 0 | 110.6 | ||||
| 74 | R | 33.9 | Very low | 37.3 | Very low | 249 Ų | 249 | 135.4 Ų | 135.4 | 94% | 0.94 | 75% | 0.752 | S | S | * | * | trans | -117.5 | 117.1 | 156.3 | -81.7 | -173.3 | 178 | 178.2 | 0.5 | 109.6 | S72 | S72-R74 PolarHBondContact O-N 3.14Š| ||
| 75 | G | 30.7 | Very low | 36.5 | Very low | 84 Ų | 84 | 143.5 Ų | 143.5 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 101.2 | 63.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 76 | S | 40.8 | Very low | 36.2 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -101.7 | 108.7 | 163.4 | 165.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 77 | A | 32.8 | Very low | 36.4 | Very low | 92 Ų | 92 | 149.4 Ų | 149.4 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 174.3 | 65.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 78 | R | 34.5 | Very low | 36.4 | Very low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -172.6 | 11.4 | 156.6 | -115.7 | 174.7 | -179.8 | -173.3 | -0.3 | 116.7 | ||
| 79 | R | 45.3 | Very low | 36.7 | Very low | 230 Ų | 230 | 158.1 Ų | 158.1 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 11.4 | -164.7 | -146.6 | 176.9 | -165.1 | 158.3 | 5.3 | 116.6 | ||
| 80 | L | 36.5 | Very low | 37.4 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 91% | 0.911 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | 5.3 | 179.1 | -113.4 | 98.3 | 0 | 0 | 0 | 115.9 | ||
| 81 | E | 32.1 | Very low | 38.3 | Very low | 176 Ų | 176 | 150.2 Ų | 150.2 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -106.4 | -5.4 | 172.5 | -82.2 | 177 | 155.8 | 0 | 0 | 113.7 | I83 | E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.34Å |
| 82 | L | 35.8 | Very low | 39.7 | Very low | 144 Ų | 144 | 150.9 Ų | 150.9 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 8.8 | -175 | -134.7 | 85.9 | 0 | 0 | 0 | 115.5 | ||
| 83 | I | 42.8 | Very low | 41.3 | Very low | 162 Ų | 162 | 146.8 Ų | 146.8 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -2.4 | 175.2 | -56 | 177.7 | 0 | 0 | 0 | 110.7 | E81 | E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.34Å |
| 84 | G | 37 | Very low | 42.5 | Very low | 70 Ų | 70 | 143.7 Ų | 143.7 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -93.2 | -16 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 85 | E | 38.9 | Very low | 44.5 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 84% | 0.841 | 73% | 0.733 | S | S | * | * | trans | -142.1 | 82.6 | -178.5 | -75.9 | -170.2 | 140.6 | 0 | 0 | 111.7 | ||||
| 86 | T | 39.8 | Very low | 47.1 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 58% | 0.577 | 71% | 0.713 | S | S | * | * | trans | -131.7 | 62 | 163.1 | 23.6 | 0 | 0 | 0 | 0 | 110.6 | Y89 | T86-Y89 HydrophobicContact CG2-CD2 3.61Å; T86-Y89 HydrophobicContact CG2-CE2 3.7Å | ||
| 87 | R | 45.6 | Very low | 49.2 | Very low | 246 Ų | 246 | 134.1 Ų | 134.1 | 93% | 0.928 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -89.8 | 104.9 | 150.6 | -87.3 | -179.6 | 170.3 | 175.3 | -2.4 | 107.4 | ||
| 88 | K | 44 | Very low | 51.8 | Low | 197 Ų | 197 | 130.1 Ų | 130.1 | 86% | 0.857 | 67% | 0.667 | S | S | * | * | trans | 109.4 | 74.6 | 171.7 | -63.1 | 174.9 | 174.7 | -178.7 | 0 | 115.3 | ||||
| 89 | Y | 41.2 | Very low | 54.4 | Low | 192 Ų | 192 | 124 Ų | 124 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | trans | -126.8 | 136.1 | 147.4 | -77 | -83.1 | 0 | 0 | 0 | 108.4 | T86 | T86-Y89 HydrophobicContact CG2-CD2 3.61Å; T86-Y89 HydrophobicContact CG2-CE2 3.7Å | ||
| 90 | G | 45.5 | Very low | 56.6 | Low | 58 Ų | 58 | 116.8 Ų | 116.8 | 60% | 0.598 | 63% | 0.627 | S | S | * | * | trans | -68.7 | -176.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D92 G93 | G90-D92 PolarHBondContact O-N 3.26Å; G90-D92 VanDerWaalsContact O-N 3.1Å; G90-G93 PolarHBondContact O-N 2.74Å; G90-G93 VanDerWaalsContact O-N 3.07Å | ||
| 91 | A | 53.4 | Low | 59.2 | Low | 87 Ų | 87 | 110.7 Ų | 110.7 | 72% | 0.719 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -51.5 | -35.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114 | G93 A94 D95 | A91-G93 PolarHBondContact O-N 3.41Å; A91-A94 PolarHBondContact O-N 3.44Å; A91-D95 PolarHBondContact O-N 2.95Å |
| 92 | D | 59.2 | Low | 62 | Low | 138 Ų | 138 | 103.4 Ų | 103.4 | 74% | 0.738 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -35.5 | 179.6 | -72.6 | -3.4 | 0 | 0 | 0 | 113.9 | G90 D95 V96 | G90-D92 PolarHBondContact O-N 3.26Å; G90-D92 VanDerWaalsContact O-N 3.1Å; D92-D95 PolarHBondContact O-N 2.88Å; D92-V96 WeakPolarHBondContact O-CG2 3.34Å; D92-V96 PolarHBondContact O-N 3.42Å |
| 93 | G | 60.8 | Low | 64.8 | Low | 23 Ų | 23 | 100.8 Ų | 100.8 | 24% | 0.237 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.6 | G90 A91 D95 V96 D97 | G90-G93 PolarHBondContact O-N 2.74Å; G90-G93 VanDerWaalsContact O-N 3.07Å; A91-G93 PolarHBondContact O-N 3.41Å; G93-D95 PolarHBondContact O-N 3.28Å; G93-V96 PolarHBondContact O-N 3.5Å; G93-D97 PolarHBondContact O-N 3.34Å |
| 94 | A | 62.7 | Low | 67.2 | Low | 58 Ų | 58 | 96.9 Ų | 96.9 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.3 | -25.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 S98 R302 | A91-A94 PolarHBondContact O-N 3.44Å; A94-S98 PolarHBondContact O-N 2.73Å; A94-R302 PolarHBondContact O-NH1 3.15Å |
| 95 | D | 75.9 | Confident | 69.9 | Low | 68 Ų | 68 | 93.5 Ų | 93.5 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.2 | -44.9 | 174.4 | -166.3 | 52.7 | 0 | 0 | 0 | 111.7 | A91 D92 G93 D97 S98 Q99 | A91-D95 PolarHBondContact O-N 2.95Å; D92-D95 PolarHBondContact O-N 2.88Å; G93-D95 PolarHBondContact O-N 3.28Å; D95-D97 PolarHBondContact O-N 3.5Å; D95-S98 WeakPolarHBondContact O-CB 3.34Å; D95-S98 PolarHBondContact O-N 2.75Å; D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.32Å; D95-Q99 PolarHBondContact OD2-NE2 2.87Å |
| 96 | V | 85.3 | Confident | 72.5 | Confident | 75 Ų | 75 | 87.9 Ų | 87.9 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 177.4 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | D92 G93 S98 Q99 I100 | D92-V96 WeakPolarHBondContact O-CG2 3.34Å; D92-V96 PolarHBondContact O-N 3.42Å; G93-V96 PolarHBondContact O-N 3.5Å; V96-S98 PolarHBondContact O-N 3.34Å; V96-Q99 PolarHBondContact O-N 3.23Å; V96-Q99 VanDerWaalsContact O-N 3.15Å; V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.43Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.04Å |
| 97 | D | 85.3 | Confident | 75.1 | Confident | 112 Ų | 112 | 90.5 Ų | 90.5 | 60% | 0.599 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.3 | -36.8 | -179.3 | -76.4 | -21.1 | 0 | 0 | 0 | 112.3 | G93 D95 L101 | G93-D97 PolarHBondContact O-N 3.34Å; D95-D97 PolarHBondContact O-N 3.5Å; D97-L101 WeakPolarHBondContact O-CB 3.13Å; D97-L101 PolarHBondContact O-N 3.42Å |
| 98 | S | 85.4 | Confident | 77.5 | Confident | 7 Ų | 7 | 80.8 Ų | 80.8 | 5% | 0.049 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.9 | -45.4 | 174.6 | 172.4 | 0 | 0 | 0 | 0 | 113.4 | A94 D95 V96 I100 L101 Q102 Q299 R302 | A94-S98 PolarHBondContact O-N 2.73Å; D95-S98 WeakPolarHBondContact O-CB 3.34Å; D95-S98 PolarHBondContact O-N 2.75Å; V96-S98 PolarHBondContact O-N 3.34Å; S98-I100 PolarHBondContact O-N 2.83Å; S98-L101 PolarHBondContact O-N 3.48Å; S98-L101 VanDerWaalsContact O-N 3.14Å; S98-Q102 WeakPolarHBondContact O-CB 3.19Å; S98-Q102 WeakPolarHBondContact O-CG 2.87Å; S98-Q102 PolarHBondContact O-N 2.91Å; S98-Q299 PolarHBondContact OG-OE1 3.34Å; S98-R302 PolarHBondContact OG-NH1 3.11Å; S98-R302 PolarHBondContact OG-NH2 3.3Å |
| 99 | Q | 89.2 | Confident | 79.8 | Confident | 112 Ų | 112 | 72.3 Ų | 72.3 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 178.4 | -69.3 | 179.3 | 23.6 | 0 | 0 | 110 | D95 V96 Q102 E103 | D95-Q99 WeakPolarHBondContact O-CG 3.38Å; D95-Q99 PolarHBondContact O-N 3.32Å; D95-Q99 PolarHBondContact OD2-NE2 2.87Å; V96-Q99 PolarHBondContact O-N 3.23Å; V96-Q99 VanDerWaalsContact O-N 3.15Å; Q99-Q102 PolarHBondContact O-N 3.24Å; Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 PolarHBondContact O-N 2.76Å |
| 100 | I | 91.8 | Very high | 82.4 | Confident | 80 Ų | 80 | 72.2 Ų | 72.2 | 41% | 0.41 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -60.2 | -48.1 | 173.7 | -67.1 | 168.6 | 0 | 0 | 0 | 110.9 | V96 S98 Q102 E103 I104 | V96-I100 HydrophobicContact CG1-CD1 3.8Å; V96-I100 HydrophobicContact CG1-CG1 4.43Å; V96-I100 WeakPolarHBondContact O-CG1 3.45Å; V96-I100 PolarHBondContact O-N 2.04Å; S98-I100 PolarHBondContact O-N 2.83Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.47Å; I100-E103 PolarHBondContact O-N 3.12Å; I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.03Å; I100-I104 PolarHBondContact O-N 3.05Å |
| 101 | L | 91.2 | Very high | 84.7 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 24% | 0.236 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.4 | -43.5 | 178.9 | -178.2 | 65.4 | 0 | 0 | 0 | 112 | D97 S98 E103 I104 R105 A361 | D97-L101 WeakPolarHBondContact O-CB 3.13Å; D97-L101 PolarHBondContact O-N 3.42Å; S98-L101 PolarHBondContact O-N 3.48Å; S98-L101 VanDerWaalsContact O-N 3.14Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-I104 PolarHBondContact O-N 3.23Å; L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.43Å; L101-A361 HydrophobicContact CD1-CB 3.95Å |
| 102 | Q | 92.4 | Very high | 86.6 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 11% | 0.107 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.5 | -72.9 | -65.3 | -12.1 | 0 | 0 | 111.4 | S98 Q99 I100 R105 N106 I294 | S98-Q102 WeakPolarHBondContact O-CB 3.19Å; S98-Q102 WeakPolarHBondContact O-CG 2.87Å; S98-Q102 PolarHBondContact O-N 2.91Å; Q99-Q102 PolarHBondContact O-N 3.24Å; I100-Q102 VanDerWaalsContact C-N 3.34Å; I100-Q102 PolarHBondContact O-N 3.47Å; Q102-R105 PolarHBondContact O-N 3.35Å; Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.24Å; Q102-N106 PolarHBondContact O-N 2.98Å; Q102-N106 PolarHBondContact O-ND2 2.86Å; Q102-N106 VanDerWaalsContact O-ND2 3.14Å; Q102-I294 PolarHBondContact NE2-O 3.03Å; Q102-I294 PolarHBondContact OE1-O 3.28Å |
| 103 | E | 93.4 | Very high | 88.2 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 42% | 0.421 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 176.5 | -173.4 | 177.5 | -164.7 | 0 | 0 | 112 | Q99 I100 L101 N106 R107 | Q99-E103 WeakPolarHBondContact O-CB 3.44Å; Q99-E103 PolarHBondContact O-N 2.76Å; I100-E103 PolarHBondContact O-N 3.12Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-N106 PolarHBondContact O-N 2.99Å; E103-R107 WeakPolarHBondContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 4Å; E103-R107 IonicContact OE1-NE 3.44Å; E103-R107 IonicContact OE1-NH1 2.6Å; E103-R107 PolarHBondContact OE1-NH1 2.84Å; E103-R107 IonicContact OE1-NH2 2.98Å; E103-R107 PolarHBondContact OE1-NH2 3.39Å |
| 104 | I | 93.6 | Very high | 89.8 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 41% | 0.405 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57.5 | -52 | 175.6 | -69.5 | 168 | 0 | 0 | 0 | 109.7 | I100 L101 N106 R107 T108 A361 | I100-I104 HydrophobicContact CG2-CD1 3.73Å; I100-I104 HydrophobicContact CG2-CG1 4.35Å; I100-I104 VanDerWaalsContact O-CG1 3.3Å; I100-I104 WeakPolarHBondContact O-CG1 3.03Å; I100-I104 PolarHBondContact O-N 3.05Å; L101-I104 PolarHBondContact O-N 3.23Å; I104-N106 PolarHBondContact O-N 3.02Å; I104-R107 PolarHBondContact O-N 3.11Å; I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 3.47Å; I104-T108 PolarHBondContact O-OG1 2.6Å; I104-A361 HydrophobicContact CG2-CB 3.88Å |
| 105 | R | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 179.9 | -176.3 | 177.8 | -65.2 | 150.7 | -0.6 | 111.6 | L101 Q102 R107 T108 I109 I294 S296 F360 | L101-R105 WeakPolarHBondContact O-CB 3.47Å; L101-R105 PolarHBondContact O-N 3.43Å; Q102-R105 PolarHBondContact O-N 3.35Å; R105-R107 PolarHBondContact O-N 3.42Å; R105-T108 PolarHBondContact O-N 2.88Å; R105-I109 HydrophobicContact CG-CD1 3.82Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 3.31Å; R105-I294 PolarHBondContact NH1-O 3.34Å; R105-S296 PolarHBondContact NH1-OG 2.85Å; R105-S296 PolarHBondContact NH2-OG 2.69Å; R105-F360 PolarHBondContact NE-O 2.9Å; R105-F360 VanDerWaalsContact NE-O 3.15Å; R105-F360 PolarHBondContact NH2-O 2.95Å; R105-F360 VanDerWaalsContact NH2-O 3.13Å |
| 106 | N | 93.4 | Very high | 91.8 | Very high | 61 Ų | 61 | 73.3 Ų | 73.3 | 33% | 0.326 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 179.5 | -75.7 | -28.5 | 0 | 0 | 0 | 112.2 | Q102 E103 I104 R110 | Q102-N106 VanDerWaalsContact O-CB 3.28Å; Q102-N106 WeakPolarHBondContact O-CB 3.24Å; Q102-N106 PolarHBondContact O-N 2.98Å; Q102-N106 PolarHBondContact O-ND2 2.86Å; Q102-N106 VanDerWaalsContact O-ND2 3.14Å; E103-N106 PolarHBondContact O-N 2.99Å; I104-N106 PolarHBondContact O-N 3.02Å; N106-R110 WeakPolarHBondContact O-CB 3.3Å; N106-R110 WeakPolarHBondContact O-CG 3.27Å; N106-R110 PolarHBondContact O-N 3.49Å |
| 107 | R | 94.9 | Very high | 92 | Very high | 150 Ų | 150 | 73.1 Ų | 73.1 | 57% | 0.566 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 176.1 | -76 | 178.1 | 174 | 165.2 | 1.7 | 111.7 | E103 I104 R105 R110 T111 | E103-R107 WeakPolarHBondContact O-CB 3.32Å; E103-R107 WeakPolarHBondContact O-CG 3.22Å; E103-R107 PolarHBondContact O-N 3.4Å; E103-R107 IonicContact OE1-CZ 4Å; E103-R107 IonicContact OE1-NE 3.44Å; E103-R107 IonicContact OE1-NH1 2.6Å; E103-R107 PolarHBondContact OE1-NH1 2.84Å; E103-R107 IonicContact OE1-NH2 2.98Å; E103-R107 PolarHBondContact OE1-NH2 3.39Å; I104-R107 PolarHBondContact O-N 3.11Å; R105-R107 PolarHBondContact O-N 3.42Å; R107-R110 PolarHBondContact O-N 3.31Å; R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.37Å; R107-T111 PolarHBondContact O-OG1 2.88Å |
| 108 | T | 94.3 | Very high | 92.3 | Very high | 41 Ų | 41 | 68.5 Ų | 68.5 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.7 | -48.6 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | I104 R105 R110 T111 M112 S358 | I104-T108 WeakPolarHBondContact O-CB 3.4Å; I104-T108 PolarHBondContact O-N 3.47Å; I104-T108 PolarHBondContact O-OG1 2.6Å; R105-T108 PolarHBondContact O-N 2.88Å; T108-R110 PolarHBondContact O-N 3.5Å; T108-T111 PolarHBondContact O-N 2.67Å; T108-M112 HydrophobicContact CG2-CG 4.24Å; T108-M112 HydrophobicContact CG2-SD 3.68Å; T108-M112 WeakPolarHBondContact O-CB 3.45Å; T108-M112 WeakPolarHBondContact O-CG 3.48Å; T108-M112 PolarHBondContact O-N 3.43Å; T108-S358 WeakPolarHBondContact CG2-O 3.07Å |
| 109 | I | 94.1 | Very high | 92.8 | Very high | 19 Ų | 19 | 69.1 Ų | 69.1 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -48.3 | 177.9 | -70.7 | 173.4 | 0 | 0 | 0 | 110.7 | R105 T111 M112 C113 I294 L359 F360 | R105-I109 HydrophobicContact CG-CD1 3.82Å; R105-I109 WeakPolarHBondContact O-CB 3.21Å; R105-I109 WeakPolarHBondContact O-CG1 3.29Å; R105-I109 PolarHBondContact O-N 3.31Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.02Å; I109-M112 PolarHBondContact O-N 3.44Å; I109-C113 WeakPolarHBondContact O-CB 3.26Å; I109-C113 PolarHBondContact O-N 3.18Å; I109-C113 PolarHBondContact O-SG 2.92Å; I109-I294 HydrophobicContact CD1-CD1 3.27Å; I109-L359 HydrophobicContact CG1-CB 4.19Å; I109-L359 HydrophobicContact CG1-CD2 4.06Å; I109-L359 WeakPolarHBondContact CG1-O 3.11Å; I109-F360 HydrophobicContact CD1-CD1 4.31Å; I109-F360 HydrophobicContact CD1-CE1 4.26Å |
| 110 | R | 94 | Very high | 93 | Very high | 190 Ų | 190 | 69.2 Ų | 69.2 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -57.5 | -45.5 | 177.6 | -75.8 | 175.5 | -172.9 | -172.6 | 3.9 | 111.8 | N106 R107 T108 S114 | N106-R110 WeakPolarHBondContact O-CB 3.3Å; N106-R110 WeakPolarHBondContact O-CG 3.27Å; N106-R110 PolarHBondContact O-N 3.49Å; R107-R110 PolarHBondContact O-N 3.31Å; T108-R110 PolarHBondContact O-N 3.5Å; R110-S114 WeakPolarHBondContact O-CB 3.28Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.13Å |
| 111 | T | 94.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 67.5 Ų | 67.5 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.8 | -53.4 | -178.5 | -55.5 | 0 | 0 | 0 | 0 | 110.8 | R107 T108 I109 C113 S114 | R107-T111 WeakPolarHBondContact O-CB 3.24Å; R107-T111 PolarHBondContact O-N 3.37Å; R107-T111 PolarHBondContact O-OG1 2.88Å; T108-T111 PolarHBondContact O-N 2.67Å; I109-T111 VanDerWaalsContact C-N 3.31Å; I109-T111 PolarHBondContact O-N 3.02Å; T111-C113 PolarHBondContact O-N 3.25Å; T111-S114 PolarHBondContact O-N 3.5Å; T111-S114 PolarHBondContact O-OG 3.39Å |
| 112 | M | 92.8 | Very high | 93.5 | Very high | 20 Ų | 20 | 65.4 Ų | 65.4 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | -178.4 | -67.5 | -177.7 | 73.9 | 0 | 0 | 111.9 | M59 M64 T108 I109 S114 Q115 M118 L355 L359 | M59-M112 HydrophobicContact CE-CE 4.5Å; M64-M112 HydrophobicContact CE-CE 3.45Å; M64-M112 VanDerWaalsContact CE-CE 3.45Å; T108-M112 HydrophobicContact CG2-CG 4.24Å; T108-M112 HydrophobicContact CG2-SD 3.68Å; T108-M112 WeakPolarHBondContact O-CB 3.45Å; T108-M112 WeakPolarHBondContact O-CG 3.48Å; T108-M112 PolarHBondContact O-N 3.43Å; I109-M112 PolarHBondContact O-N 3.44Å; M112-S114 PolarHBondContact O-N 3.2Å; M112-Q115 WeakPolarHBondContact O-CB 3.39Å; M112-Q115 VanDerWaalsContact O-CG 3.3Å; M112-Q115 WeakPolarHBondContact O-CG 3.3Å; M112-Q115 PolarHBondContact O-N 3.34Å; M112-M118 WeakPolarHBondContact O-CG 3.44Å; M112-L355 HydrophobicContact CE-CD2 3.94Å; M112-L359 HydrophobicContact CB-CD2 3.78Å; M112-L359 HydrophobicContact CE-CD2 4.1Å; M112-L359 HydrophobicContact CE-CG 4.31Å; M112-L359 HydrophobicContact CG-CD2 4.19Å; M112-L359 HydrophobicContact SD-CD2 3.48Å; M112-L359 WeakPolarHBondContact SD-CD2 3.32Å; M112-L359 HydrophobicContact SD-CG 4.03Å |
| 113 | C | 94.3 | Very high | 93.7 | Very high | 16 Ų | 16 | 68 Ų | 68 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.3 | -9.3 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | I109 T111 Q115 H120 C287 | I109-C113 WeakPolarHBondContact O-CB 3.26Å; I109-C113 PolarHBondContact O-N 3.18Å; I109-C113 PolarHBondContact O-SG 2.92Å; T111-C113 PolarHBondContact O-N 3.25Å; C113-Q115 VanDerWaalsContact C-N 3.3Å; C113-H120 PolarHBondContact O-CE1 2.87Å; C113-H120 PolarHBondContact O-ND1 3.49Å; C113-C287 WeakPolarHBondContact CA-SG 3.06Å; C113-C287 HydrophobicContact CB-CB 3.51Å; C113-C287 WeakPolarHBondContact CB-SG 3.44Å; C113-C287 WeakPolarHBondContact SG-CA 3.34Å; C113-C287 WeakPolarHBondContact SG-CB 3.26Å; C113-C287 CovalentContact SG-SG 2.04Å; C113-C287 PolarHBondContact SG-SG 3.41Å |
| 114 | S | 93.7 | Very high | 93.9 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 60% | 0.601 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -13.5 | 172.5 | 73.4 | 0 | 0 | 0 | 0 | 113.4 | R110 T111 M112 | R110-S114 WeakPolarHBondContact O-CB 3.28Å; R110-S114 PolarHBondContact O-N 3.22Å; R110-S114 VanDerWaalsContact O-N 3.13Å; T111-S114 PolarHBondContact O-N 3.5Å; T111-S114 PolarHBondContact O-OG 3.39Å; M112-S114 PolarHBondContact O-N 3.2Å |
| 115 | Q | 92.1 | Very high | 94.1 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 16% | 0.164 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -67.3 | 139.9 | 179.7 | -58.9 | -175.6 | -17.9 | 0 | 0 | 111 | M64 M112 C113 N117 M118 H120 | M64-Q115 VanDerWaalsContact CB-OE1 3.32Å; M64-Q115 PolarHBondContact O-NE2 2.82Å; M112-Q115 WeakPolarHBondContact O-CB 3.39Å; M112-Q115 VanDerWaalsContact O-CG 3.3Å; M112-Q115 WeakPolarHBondContact O-CG 3.3Å; M112-Q115 PolarHBondContact O-N 3.34Å; C113-Q115 VanDerWaalsContact C-N 3.3Å; Q115-N117 WeakPolarHBondContact CB-OD1 3.39Å; Q115-N117 PolarHBondContact O-N 2.95Å; Q115-N117 VanDerWaalsContact O-N 3.15Å; Q115-M118 HydrophobicContact CB-CG 4.15Å; Q115-M118 WeakPolarHBondContact O-CB 3.48Å; Q115-M118 PolarHBondContact O-N 3.31Å; Q115-H120 PolarHBondContact O-CE1 3.22Å |
| 116 | K | 88.9 | Confident | 94.2 | Very high | 207 Ų | 207 | 65.6 Ų | 65.6 | 90% | 0.9 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -26.1 | -172.8 | -68.3 | -174.6 | 177.6 | -179 | 0 | 114.9 | M118 | K116-M118 VanDerWaalsContact C-N 3.32Š|
| 117 | N | 88.8 | Confident | 94.4 | Very high | 70 Ų | 70 | 68 Ų | 68 | 37% | 0.374 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -9.8 | 178.9 | 59.3 | -24.8 | 0 | 0 | 0 | 113 | K62 M64 Q115 | K62-N117 PolarHBondContact O-ND2 2.74Å; M64-N117 WeakPolarHBondContact CG-ND2 3.4Å; Q115-N117 WeakPolarHBondContact CB-OD1 3.39Å; Q115-N117 PolarHBondContact O-N 2.95Å; Q115-N117 VanDerWaalsContact O-N 3.15Å |
| 118 | M | 92.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 64 Ų | 64 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -88.6 | 146 | 179.5 | -64.4 | -59 | -72.9 | 0 | 0 | 111.1 | M112 Q115 K116 H120 Y281 C287 | M112-M118 WeakPolarHBondContact O-CG 3.44Å; Q115-M118 HydrophobicContact CB-CG 4.15Å; Q115-M118 WeakPolarHBondContact O-CB 3.48Å; Q115-M118 PolarHBondContact O-N 3.31Å; K116-M118 VanDerWaalsContact C-N 3.32Å; M118-H120 PolarHBondContact O-N 2.94Å; M118-H120 PolarHBondContact O-NE2 3.45Å; M118-Y281 HydrophobicContact CE-CE2 3.83Å; M118-Y281 VanDerWaalsContact CE-OH 3.28Å; M118-Y281 WeakPolarHBondContact CE-OH 3.22Å; M118-C287 HydrophobicContact CB-CB 4.35Å; M118-C287 HydrophobicContact CE-CB 4.24Å; M118-C287 WeakPolarHBondContact CE-SG 3.41Å |
| 119 | P | 94.4 | Very high | 94.7 | Very high | 20 Ų | 20 | 64.1 Ų | 64.1 | 13% | 0.13 | 34% | 0.336 | C | S | . | . | trans | -68.9 | 133.2 | 176.9 | 29.2 | -34.2 | 0 | 0 | 0 | 109.9 | S124 L125 C287 A288 | P119-S124 WeakPolarHBondContact CA-OG 3.47Å; P119-S124 WeakPolarHBondContact CB-OG 3.36Å; P119-L125 HydrophobicContact CB-CD2 3.55Å; P119-L125 HydrophobicContact CB-CG 4.34Å; P119-L125 HydrophobicContact CG-CD2 3.67Å; P119-C287 HydrophobicContact CG-CB 4.29Å; P119-C287 CarbonylContact O-C 3.55Å; P119-C287 VanDerWaalsContact O-CB 3.26Å; P119-C287 WeakPolarHBondContact O-CB 3.49Å; P119-A288 HydrophobicContact CB-CB 4.11Å; P119-A288 HydrophobicContact CG-CB 4.24Å; P119-A288 PolarHBondContact O-N 3.27Å | ||
| 120 | H | 93.9 | Very high | 94.9 | Very high | 113 Ų | 113 | 66.3 Ų | 66.3 | 52% | 0.523 | 34% | 0.343 | S | S | . | . | trans | -105.6 | -2.5 | 178.8 | -57.3 | -59.9 | 0 | 0 | 0 | 113 | C113 Q115 M118 S124 | C113-H120 PolarHBondContact O-CE1 2.87Å; C113-H120 PolarHBondContact O-ND1 3.49Å; Q115-H120 PolarHBondContact O-CE1 3.22Å; M118-H120 PolarHBondContact O-N 2.94Å; M118-H120 PolarHBondContact O-NE2 3.45Å; H120-S124 PolarHBondContact N-OG 3.37Å | ||
| 121 | S | 96.5 | Very high | 95.1 | Very high | 44 Ų | 44 | 63.1 Ų | 63.1 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -154.7 | 153.3 | 176.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | W123 S124 | S121-W123 PolarHBondContact O-N 3.43Å; S121-W123 PolarHBondContact OG-N 3.49Å; S121-S124 PolarHBondContact N-OG 2.87Å; S121-S124 PolarHBondContact O-N 3.27Å; S121-S124 PolarHBondContact O-OG 2.92Å |
| 122 | V | 97.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.8 | -23.5 | 170.5 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | L125 R130 V133 L199 A288 V289 | V122-L125 HydrophobicContact CB-CD1 4.46Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; V122-R130 WeakPolarHBondContact O-CG 3.48Å; V122-R130 PolarHBondContact O-NE 2.95Å; V122-V133 HydrophobicContact CG1-CG1 4.32Å; V122-L199 HydrophobicContact CG1-CD1 4.04Å; V122-L199 HydrophobicContact CG2-CD1 3.65Å; V122-A288 PolarHBondContact N-O 3.12Å; V122-V289 HydrophobicContact CG1-CG2 3.59Å |
| 123 | W | 97.1 | Very high | 95.5 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -81.3 | -14.3 | 177.2 | -51.5 | 112.8 | 0 | 0 | 0 | 113.9 | S121 R130 P192 I195 R196 | S121-W123 PolarHBondContact O-N 3.43Å; S121-W123 PolarHBondContact OG-N 3.49Å; W123-R130 PolarHBondContact O-NH2 3.32Å; W123-P192 HydrophobicContact CH2-CB 3.69Å; W123-P192 HydrophobicContact CH2-CG 4.3Å; W123-P192 HydrophobicContact CZ2-CB 4.12Å; W123-P192 HydrophobicContact CZ3-CB 4.48Å; W123-I195 HydrophobicContact CH2-CD1 4.46Å; W123-I195 HydrophobicContact CZ2-CB 4.41Å; W123-I195 HydrophobicContact CZ2-CG2 4.15Å; W123-R196 HydrophobicContact CZ2-CG 4.24Å |
| 124 | S | 96.3 | Very high | 95.7 | Very high | 72 Ų | 72 | 58.6 Ų | 58.6 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -88.1 | -9.1 | 171.5 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | P119 H120 S121 | P119-S124 WeakPolarHBondContact CA-OG 3.47Å; P119-S124 WeakPolarHBondContact CB-OG 3.36Å; H120-S124 PolarHBondContact N-OG 3.37Å; S121-S124 PolarHBondContact N-OG 2.87Å; S121-S124 PolarHBondContact O-N 3.27Å; S121-S124 PolarHBondContact O-OG 2.92Å |
| 125 | L | 97.3 | Very high | 95.9 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -73.3 | 153.2 | 175.6 | -63.5 | 175.1 | 0 | 0 | 0 | 111.7 | P119 V122 Q129 R130 V133 Q285 A288 | P119-L125 HydrophobicContact CB-CD2 3.55Å; P119-L125 HydrophobicContact CB-CG 4.34Å; P119-L125 HydrophobicContact CG-CD2 3.67Å; V122-L125 HydrophobicContact CB-CD1 4.46Å; V122-L125 WeakPolarHBondContact O-CB 3.43Å; L125-Q129 HydrophobicContact CB-CB 3.91Å; L125-Q129 HydrophobicContact CD1-CB 4.43Å; L125-Q129 HydrophobicContact CD2-CB 4.25Å; L125-Q129 HydrophobicContact CG-CB 4.44Å; L125-R130 HydrophobicContact CB-CB 4.16Å; L125-R130 PolarHBondContact O-NH2 2.97Å; L125-V133 HydrophobicContact CD1-CG1 3.74Å; L125-Q285 HydrophobicContact CD1-CB 4.2Å; L125-Q285 HydrophobicContact CD1-CG 3.88Å; L125-Q285 HydrophobicContact CD2-CG 4.22Å; L125-A288 HydrophobicContact CD1-CB 3.91Å; L125-A288 HydrophobicContact CD2-CB 4.09Å; L125-A288 HydrophobicContact CG-CB 4.02Å |
| 126 | S | 97.3 | Very high | 96.2 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | trans | -58.6 | 157.4 | 168.7 | 84.2 | 0 | 0 | 0 | 0 | 110.8 | L128 Q129 R130 | S126-L128 PolarHBondContact O-N 3.13Å; S126-Q129 PolarHBondContact O-N 3.34Å; S126-Q129 VanDerWaalsContact OG-CG 3.3Å; S126-Q129 WeakPolarHBondContact OG-CG 3.18Å; S126-Q129 PolarHBondContact OG-N 3Å; S126-R130 VanDerWaalsContact O-CB 3.32Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.47Å | ||
| 127 | P | 97.5 | Very high | 96.7 | Very high | 111 Ų | 111 | 47.3 Ų | 47.3 | 72% | 0.721 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55.1 | -37.9 | 178.1 | -27.6 | 35.7 | 0 | 0 | 0 | 113.4 | K131 | P127-K131 VanDerWaalsContact O-CB 3.29Å; P127-K131 WeakPolarHBondContact O-CB 3.49Å; P127-K131 PolarHBondContact O-N 3.17Å |
| 128 | L | 97.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 44 Ų | 44 | 35% | 0.346 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.6 | -50.8 | 178.3 | -178.5 | 58.9 | 0 | 0 | 0 | 111.4 | S126 R130 K131 T132 E271 R272 | S126-L128 PolarHBondContact O-N 3.13Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.86Å; L128-K131 PolarHBondContact O-N 3.3Å; L128-T132 PolarHBondContact O-N 2.7Å; L128-T132 PolarHBondContact O-OG1 3.32Å; L128-T132 VanDerWaalsContact O-OG1 3.12Å; L128-E271 HydrophobicContact CD2-CB 3.79Å; L128-R272 HydrophobicContact CD2-CG 4.23Å |
| 129 | Q | 97.9 | Very high | 97.5 | Very high | 44 Ų | 44 | 43.6 Ų | 43.6 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.9 | -44.5 | 177.3 | -70.8 | 169.7 | -17.6 | 0 | 0 | 111.8 | L125 S126 T132 V133 E271 | L125-Q129 HydrophobicContact CB-CB 3.91Å; L125-Q129 HydrophobicContact CD1-CB 4.43Å; L125-Q129 HydrophobicContact CD2-CB 4.25Å; L125-Q129 HydrophobicContact CG-CB 4.44Å; S126-Q129 PolarHBondContact O-N 3.34Å; S126-Q129 VanDerWaalsContact OG-CG 3.3Å; S126-Q129 WeakPolarHBondContact OG-CG 3.18Å; S126-Q129 PolarHBondContact OG-N 3Å; Q129-T132 PolarHBondContact O-N 3.02Å; Q129-V133 WeakPolarHBondContact O-CG1 3.3Å; Q129-V133 PolarHBondContact O-N 3.48Å; Q129-E271 WeakPolarHBondContact CG-OE1 3.44Å; Q129-E271 PolarHBondContact NE2-OE1 3.34Å |
| 130 | R | 98.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 25% | 0.245 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -45.8 | 177 | -172.2 | -177.5 | -53.1 | 161.6 | 12.2 | 111.3 | V122 W123 L125 S126 L128 T132 V133 L134 | V122-R130 WeakPolarHBondContact O-CG 3.48Å; V122-R130 PolarHBondContact O-NE 2.95Å; W123-R130 PolarHBondContact O-NH2 3.32Å; L125-R130 HydrophobicContact CB-CB 4.16Å; L125-R130 PolarHBondContact O-NH2 2.97Å; S126-R130 VanDerWaalsContact O-CB 3.32Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 PolarHBondContact O-N 3.47Å; L128-R130 VanDerWaalsContact C-N 3.34Å; L128-R130 PolarHBondContact O-N 2.86Å; R130-T132 VanDerWaalsContact C-N 3.34Å; R130-T132 PolarHBondContact O-N 3.13Å; R130-V133 VanDerWaalsContact O-CG1 3.29Å; R130-V133 WeakPolarHBondContact O-CG1 3.37Å; R130-V133 PolarHBondContact O-N 3.49Å; R130-L134 HydrophobicContact CG-CD1 3.81Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.22Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.34Å |
| 131 | K | 98 | Very high | 97.8 | Very high | 123 Ų | 123 | 40.4 Ų | 40.4 | 54% | 0.535 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59 | -48 | 176.4 | -178.9 | -179.6 | 177.7 | -178.9 | 0 | 110.7 | P127 L128 L134 Q135 | P127-K131 VanDerWaalsContact O-CB 3.29Å; P127-K131 WeakPolarHBondContact O-CB 3.49Å; P127-K131 PolarHBondContact O-N 3.17Å; L128-K131 PolarHBondContact O-N 3.3Å; K131-L134 PolarHBondContact O-N 3.14Å; K131-Q135 HydrophobicContact CG-CG 4.49Å; K131-Q135 WeakPolarHBondContact O-CB 3.35Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 2.72Å |
| 132 | T | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 44.8 Ų | 44.8 | 10% | 0.104 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.4 | -52 | 179.1 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | L128 Q129 R130 L134 Q135 H136 M278 L283 | L128-T132 PolarHBondContact O-N 2.7Å; L128-T132 PolarHBondContact O-OG1 3.32Å; L128-T132 VanDerWaalsContact O-OG1 3.12Å; Q129-T132 PolarHBondContact O-N 3.02Å; R130-T132 VanDerWaalsContact C-N 3.34Å; R130-T132 PolarHBondContact O-N 3.13Å; T132-L134 PolarHBondContact O-N 2.99Å; T132-Q135 PolarHBondContact O-N 3.3Å; T132-H136 PolarHBondContact O-N 3.14Å; T132-H136 PolarHBondContact O-ND1 3.47Å; T132-M278 HydrophobicContact CG2-CE 4.42Å; T132-M278 HydrophobicContact CG2-SD 3.79Å; T132-L283 HydrophobicContact CG2-CD2 4.39Å |
| 133 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | -177.7 | 67.6 | 0 | 0 | 0 | 0 | 112.4 | V122 L125 Q129 R130 Q135 H136 I137 L283 Q285 V289 | V122-V133 HydrophobicContact CG1-CG1 4.32Å; L125-V133 HydrophobicContact CD1-CG1 3.74Å; Q129-V133 WeakPolarHBondContact O-CG1 3.3Å; Q129-V133 PolarHBondContact O-N 3.48Å; R130-V133 VanDerWaalsContact O-CG1 3.29Å; R130-V133 WeakPolarHBondContact O-CG1 3.37Å; R130-V133 PolarHBondContact O-N 3.49Å; V133-Q135 VanDerWaalsContact C-N 3.26Å; V133-Q135 PolarHBondContact O-N 3.29Å; V133-H136 PolarHBondContact O-N 3.37Å; V133-I137 HydrophobicContact CG2-CD1 3.79Å; V133-I137 HydrophobicContact CG2-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.16Å; V133-L283 WeakPolarHBondContact CA-O 3.45Å; V133-Q285 HydrophobicContact CB-CG 4.18Å; V133-Q285 HydrophobicContact CG2-CB 4.22Å; V133-Q285 HydrophobicContact CG2-CG 4.39Å; V133-V289 HydrophobicContact CG2-CG2 4.06Å |
| 134 | L | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.8 | -28.6 | -179.2 | -64.4 | 178.8 | 0 | 0 | 0 | 112.4 | R130 K131 T132 H136 L187 S188 I195 | R130-L134 HydrophobicContact CG-CD1 3.81Å; R130-L134 HydrophobicContact CG-CG 4.27Å; R130-L134 WeakPolarHBondContact O-CB 3.48Å; R130-L134 VanDerWaalsContact O-CG 3.22Å; R130-L134 WeakPolarHBondContact O-CG 3.37Å; R130-L134 PolarHBondContact O-N 3.34Å; K131-L134 PolarHBondContact O-N 3.14Å; T132-L134 PolarHBondContact O-N 2.99Å; L134-H136 VanDerWaalsContact C-N 3.29Å; L134-L187 HydrophobicContact CB-CB 4.33Å; L134-L187 HydrophobicContact CD2-CB 3.87Å; L134-L187 HydrophobicContact CD2-CD1 4.03Å; L134-S188 PolarHBondContact O-N 3.47Å; L134-I195 HydrophobicContact CD1-CD1 4.07Å; L134-I195 HydrophobicContact CD2-CD1 4.46Å; L134-I195 HydrophobicContact CD2-CG2 3.98Å |
| 135 | Q | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 38% | 0.379 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -74.4 | -19 | 173 | -74 | -179.8 | -30 | 0 | 0 | 113.1 | K131 T132 V133 F186 | K131-Q135 HydrophobicContact CG-CG 4.49Å; K131-Q135 WeakPolarHBondContact O-CB 3.35Å; K131-Q135 VanDerWaalsContact O-CG 3.24Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 2.72Å; T132-Q135 PolarHBondContact O-N 3.3Å; V133-Q135 VanDerWaalsContact C-N 3.26Å; V133-Q135 PolarHBondContact O-N 3.29Å; Q135-F186 WeakPolarHBondContact O-CD1 3.35Å; Q135-F186 WeakPolarHBondContact O-CE1 3.22Å |
| 136 | H | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -96.9 | -10.9 | 179.2 | -75.1 | 79 | 0 | 0 | 0 | 113.9 | T132 V133 L134 C148 Y149 E275 L283 | T132-H136 PolarHBondContact O-N 3.14Å; T132-H136 PolarHBondContact O-ND1 3.47Å; V133-H136 PolarHBondContact O-N 3.37Å; L134-H136 VanDerWaalsContact C-N 3.29Å; H136-C148 CarbonylContact O-C 3.6Å; H136-C148 WeakPolarHBondContact O-CA 3.07Å; H136-Y149 HydrophobicContact CB-CD1 4.43Å; H136-Y149 HydrophobicContact CB-CE1 4.26Å; H136-Y149 AromaticContact CD2-CE1 3.79Å; H136-Y149 AromaticContact CD2-CE2 3.45Å; H136-Y149 VanDerWaalsContact CD2-CE2 3.45Å; H136-Y149 WeakPolarHBondContact CD2-CE2 3.43Å; H136-Y149 AromaticContact CD2-CZ 3.31Å; H136-Y149 PolarHBondContact CD2-O 2.53Å; H136-Y149 AromaticContact NE2-CE2 3.81Å; H136-Y149 AromaticContact NE2-CZ 3.64Å; H136-Y149 PolarHBondContact NE2-OH 3.43Å; H136-Y149 WeakPolarHBondContact O-CD1 3.38Å; H136-Y149 PolarHBondContact O-N 2.9Å; H136-E275 IonicContact NE2-OE2 3.32Å; H136-E275 PolarHBondContact NE2-OE2 3.04Å; H136-L283 WeakPolarHBondContact NE2-CD2 3.34Å |
| 137 | I | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 113.6 | 178.3 | -61.5 | 168.9 | 0 | 0 | 0 | 110.3 | V133 L146 Y147 C148 F186 L187 V289 | V133-I137 HydrophobicContact CG2-CD1 3.79Å; V133-I137 HydrophobicContact CG2-CG1 4.39Å; V133-I137 WeakPolarHBondContact O-CG1 3.39Å; V133-I137 PolarHBondContact O-N 3.16Å; I137-L146 HydrophobicContact CG2-CB 3.83Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 HydrophobicContact CG2-CD2 4.03Å; I137-L146 HydrophobicContact CG2-CG 4.31Å; I137-Y147 WeakPolarHBondContact CA-O 3.02Å; I137-C148 HydrophobicContact CG1-CB 3.95Å; I137-F186 CarbonylContact O-C 3.57Å; I137-F186 WeakPolarHBondContact O-CA 3.37Å; I137-L187 HydrophobicContact CB-CB 4.4Å; I137-L187 HydrophobicContact CB-CD1 3.72Å; I137-L187 HydrophobicContact CB-CG 3.97Å; I137-L187 HydrophobicContact CD1-CD1 3.85Å; I137-L187 HydrophobicContact CG1-CD1 4.39Å; I137-L187 HydrophobicContact CG2-CD1 3.46Å; I137-L187 VanDerWaalsContact CG2-CD1 3.46Å; I137-L187 HydrophobicContact CG2-CG 3.69Å; I137-L187 PolarHBondContact O-N 3.23Å; I137-V289 HydrophobicContact CD1-CG1 4.42Å; I137-V289 HydrophobicContact CD1-CG2 4.08Å |
| 138 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 147.6 | 171.5 | -70.4 | 157.6 | 0 | 0 | 0 | 110.7 | L146 Y147 Y149 K159 L162 L184 L185 F186 | L138-L146 VanDerWaalsContact O-CA 3.31Å; L138-L146 WeakPolarHBondContact O-CA 3.38Å; L138-Y147 HydrophobicContact CD1-CD1 3.78Å; L138-Y147 HydrophobicContact CD1-CE1 4.22Å; L138-Y147 PolarHBondContact N-O 2.78Å; L138-Y147 PolarHBondContact O-N 2.99Å; L138-Y149 HydrophobicContact CD1-CD1 4Å; L138-Y149 HydrophobicContact CD1-CG 4.48Å; L138-Y149 HydrophobicContact CG-CD1 4.28Å; L138-K159 HydrophobicContact CD1-CG 3.96Å; L138-L162 HydrophobicContact CB-CD2 3.56Å; L138-L162 HydrophobicContact CD1-CD2 4.05Å; L138-L162 HydrophobicContact CD2-CD2 4.38Å; L138-L162 HydrophobicContact CG-CD2 4.22Å; L138-L184 HydrophobicContact CD2-CB 3.68Å; L138-L184 HydrophobicContact CD2-CD1 4.05Å; L138-L184 HydrophobicContact CD2-CD2 4.21Å; L138-L184 HydrophobicContact CD2-CG 4.2Å; L138-L185 CarbonylContact C-O 3.54Å; L138-L185 WeakPolarHBondContact CA-O 3.34Å; L138-F186 HydrophobicContact CD2-CD1 3.74Å; L138-F186 HydrophobicContact CD2-CD2 4.33Å; L138-F186 HydrophobicContact CD2-CE1 3.33Å; L138-F186 HydrophobicContact CD2-CE2 3.98Å; L138-F186 HydrophobicContact CD2-CG 4.23Å; L138-F186 HydrophobicContact CD2-CZ 3.48Å; L138-F186 VanDerWaalsContact CD2-CZ 3.48Å; L138-F186 HydrophobicContact CG-CD1 4.17Å; L138-F186 HydrophobicContact CG-CE1 3.85Å; L138-F186 HydrophobicContact CG-CZ 4.43Å |
| 139 | V | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 134.2 | -177.9 | -175.5 | 0 | 0 | 0 | 0 | 109.2 | D141 L146 L185 L187 L190 Y202 | V139-D141 WeakPolarHBondContact CG1-OD1 3.23Å; V139-L146 HydrophobicContact CB-CD2 4.19Å; V139-L146 HydrophobicContact CG1-CD2 4.2Å; V139-L146 HydrophobicContact CG2-CD2 3.74Å; V139-L185 HydrophobicContact CB-CB 4.15Å; V139-L185 HydrophobicContact CB-CD2 3.88Å; V139-L185 HydrophobicContact CB-CG 3.92Å; V139-L185 HydrophobicContact CG1-CD2 3.88Å; V139-L185 HydrophobicContact CG1-CG 4.47Å; V139-L185 HydrophobicContact CG2-CG 4.31Å; V139-L185 PolarHBondContact N-O 3.17Å; V139-L187 HydrophobicContact CG2-CD2 3.56Å; V139-L187 HydrophobicContact CG2-CG 3.94Å; V139-L190 HydrophobicContact CG2-CD1 4.21Å; V139-Y202 HydrophobicContact CG1-CE2 4.2Å |
| 140 | N | 98.3 | Very high | 98.3 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.027 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 112.8 | 159.8 | -176.1 | -63.2 | 0 | 0 | 0 | 107.9 | E142 Y143 R144 F145 | N140-E142 PolarHBondContact OD1-N 2.98Å; N140-Y143 WeakPolarHBondContact OD1-CD2 3.34Å; N140-Y143 PolarHBondContact OD1-N 3.01Å; N140-R144 WeakPolarHBondContact O-CA 3.44Å; N140-R144 PolarHBondContact O-N 3.35Å; N140-R144 VanDerWaalsContact O-N 3.09Å; N140-F145 HydrophobicContact CB-CD1 3.93Å; N140-F145 HydrophobicContact CB-CD2 4.31Å; N140-F145 HydrophobicContact CB-CE1 3.45Å; N140-F145 VanDerWaalsContact CB-CE1 3.45Å; N140-F145 HydrophobicContact CB-CE2 3.87Å; N140-F145 HydrophobicContact CB-CG 4.34Å; N140-F145 HydrophobicContact CB-CZ 3.43Å; N140-F145 VanDerWaalsContact CB-CZ 3.43Å; N140-F145 PolarHBondContact N-O 3.15Å; N140-F145 VanDerWaalsContact N-O 3.09Å; N140-F145 PolarHBondContact O-N 3.44Å; N140-F145 VanDerWaalsContact O-N 3.08Å |
| 141 | D | 97.7 | Very high | 98.3 | Very high | 61 Ų | 61 | 31 Ų | 31 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -33.4 | -175.5 | -77.9 | -35.8 | 0 | 0 | 0 | 112.8 | V139 R144 R198 Y202 | V139-D141 WeakPolarHBondContact CG1-OD1 3.23Å; D141-R144 VanDerWaalsContact O-CG 3.27Å; D141-R144 WeakPolarHBondContact O-CG 3.28Å; D141-R144 PolarHBondContact O-N 3.33Å; D141-R198 VanDerWaalsContact CG-NH2 3.3Å; D141-R198 IonicContact OD1-CZ 2.74Å; D141-R198 VanDerWaalsContact OD1-CZ 3.29Å; D141-R198 IonicContact OD1-NE 2.78Å; D141-R198 PolarHBondContact OD1-NE 3.33Å; D141-R198 IonicContact OD1-NH2 3.62Å; D141-R198 PolarHBondContact OD1-NH2 3.24Å; D141-R198 VanDerWaalsContact OD1-NH2 3.14Å; D141-R198 IonicContact OD2-CZ 3.76Å; D141-R198 IonicContact OD2-NE 3.61Å; D141-R198 IonicContact OD2-NH2 3.67Å; D141-R198 PolarHBondContact OD2-NH2 2.88Å; D141-Y202 WeakPolarHBondContact OD1-CE2 3.37Å; D141-Y202 VanDerWaalsContact OD1-CZ 3.24Å; D141-Y202 PolarHBondContact OD1-OH 2.73Å |
| 142 | E | 96.8 | Very high | 98.2 | Very high | 136 Ų | 136 | 26.6 Ų | 26.6 | 64% | 0.636 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -50.2 | -179.8 | -176 | 177.5 | 166.9 | 0 | 0 | 111.6 | N140 R144 | N140-E142 PolarHBondContact OD1-N 2.98Å; E142-R144 VanDerWaalsContact C-N 3.33Å |
| 143 | Y | 97.9 | Very high | 98.1 | Very high | 49 Ų | 49 | 25.8 Ų | 25.8 | 19% | 0.192 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.3 | 178.2 | -63.1 | -91.2 | 0 | 0 | 0 | 112.7 | N140 F145 L165 P314 | N140-Y143 WeakPolarHBondContact OD1-CD2 3.34Å; N140-Y143 PolarHBondContact OD1-N 3.01Å; Y143-F145 PolarHBondContact O-N 3.45Å; Y143-L165 HydrophobicContact CD2-CB 3.99Å; Y143-L165 HydrophobicContact CD2-CD1 4.34Å; Y143-L165 HydrophobicContact CD2-CD2 4.2Å; Y143-L165 HydrophobicContact CD2-CG 4.41Å; Y143-L165 HydrophobicContact CE1-CD2 4.07Å; Y143-L165 HydrophobicContact CE2-CB 3.8Å; Y143-L165 HydrophobicContact CE2-CD2 3.74Å; Y143-L165 HydrophobicContact CE2-CG 4.25Å; Y143-P314 HydrophobicContact CE1-CG 4.35Å; Y143-P314 WeakPolarHBondContact OH-CD 3.47Å; Y143-P314 VanDerWaalsContact OH-CG 3.26Å; Y143-P314 WeakPolarHBondContact OH-CG 3.15Å |
| 144 | R | 98.3 | Very high | 97.8 | Very high | 122 Ų | 122 | 26.8 Ų | 26.8 | 46% | 0.46 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 49.1 | 173.2 | -59.6 | 178.8 | 61.6 | 158.3 | 1.2 | 114.3 | N140 D141 E142 Y202 F203 | N140-R144 WeakPolarHBondContact O-CA 3.44Å; N140-R144 PolarHBondContact O-N 3.35Å; N140-R144 VanDerWaalsContact O-N 3.09Å; D141-R144 VanDerWaalsContact O-CG 3.27Å; D141-R144 WeakPolarHBondContact O-CG 3.28Å; D141-R144 PolarHBondContact O-N 3.33Å; E142-R144 VanDerWaalsContact C-N 3.33Å; R144-Y202 VanDerWaalsContact C-CD2 3.45Å; R144-Y202 HydrophobicContact CB-CD1 4.04Å; R144-Y202 HydrophobicContact CB-CD2 4.49Å; R144-Y202 HydrophobicContact CB-CE1 4.08Å; R144-Y202 HydrophobicContact CB-CG 4.26Å; R144-Y202 HydrophobicContact CG-CE1 4.16Å; R144-Y202 VanDerWaalsContact O-CA 3.3Å; R144-Y202 WeakPolarHBondContact O-CA 3.35Å; R144-Y202 VanDerWaalsContact O-CB 3.23Å; R144-Y202 WeakPolarHBondContact O-CB 3.33Å; R144-F203 PolarHBondContact O-N 3.2Å |
| 145 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.4 | 176.6 | 73.5 | -101.5 | 0 | 0 | 0 | 113.6 | N140 Y143 L162 L165 F203 F205 I311 | N140-F145 HydrophobicContact CB-CD1 3.93Å; N140-F145 HydrophobicContact CB-CD2 4.31Å; N140-F145 HydrophobicContact CB-CE1 3.45Å; N140-F145 VanDerWaalsContact CB-CE1 3.45Å; N140-F145 HydrophobicContact CB-CE2 3.87Å; N140-F145 HydrophobicContact CB-CG 4.34Å; N140-F145 HydrophobicContact CB-CZ 3.43Å; N140-F145 VanDerWaalsContact CB-CZ 3.43Å; N140-F145 PolarHBondContact N-O 3.15Å; N140-F145 VanDerWaalsContact N-O 3.09Å; N140-F145 PolarHBondContact O-N 3.44Å; N140-F145 VanDerWaalsContact O-N 3.08Å; Y143-F145 PolarHBondContact O-N 3.45Å; F145-L162 HydrophobicContact CE2-CD1 3.91Å; F145-L162 HydrophobicContact CE2-CD2 4.25Å; F145-L162 HydrophobicContact CE2-CG 3.97Å; F145-L162 HydrophobicContact CZ-CD1 4.01Å; F145-L162 HydrophobicContact CZ-CG 3.87Å; F145-L165 HydrophobicContact CE1-CD1 3.85Å; F145-L165 HydrophobicContact CZ-CD1 4.09Å; F145-F203 CarbonylContact C-O 3.59Å; F145-F203 WeakPolarHBondContact CA-O 3.04Å; F145-F203 HydrophobicContact CB-CB 4.31Å; F145-F203 HydrophobicContact CB-CD1 4.36Å; F145-F203 WeakPolarHBondContact CB-O 3.24Å; F145-F205 HydrophobicContact CB-CE1 4.37Å; F145-F205 HydrophobicContact CD2-CD1 4.49Å; F145-F205 AromaticContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CZ 4.23Å; F145-F205 HydrophobicContact CE2-CE1 4.04Å; F145-F205 HydrophobicContact CE2-CZ 4.28Å; F145-F205 HydrophobicContact CG-CE1 4.09Å; F145-I311 HydrophobicContact CB-CG2 3.95Å; F145-I311 HydrophobicContact CD1-CB 4.19Å; F145-I311 HydrophobicContact CD1-CD1 3.76Å; F145-I311 HydrophobicContact CD1-CG2 3.97Å; F145-I311 HydrophobicContact CE1-CD1 3.61Å; F145-I311 HydrophobicContact CG-CG2 4.17Å; F145-I311 HydrophobicContact CZ-CD1 4.38Å |
| 146 | L | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.2 | 172.8 | -63.6 | 179.7 | 0 | 0 | 0 | 109.3 | I137 L138 V139 L187 R198 L199 Y202 F203 K204 F205 | I137-L146 HydrophobicContact CG2-CB 3.83Å; I137-L146 HydrophobicContact CG2-CD1 4.4Å; I137-L146 HydrophobicContact CG2-CD2 4.03Å; I137-L146 HydrophobicContact CG2-CG 4.31Å; L138-L146 VanDerWaalsContact O-CA 3.31Å; L138-L146 WeakPolarHBondContact O-CA 3.38Å; V139-L146 HydrophobicContact CB-CD2 4.19Å; V139-L146 HydrophobicContact CG1-CD2 4.2Å; V139-L146 HydrophobicContact CG2-CD2 3.74Å; L146-L187 HydrophobicContact CD1-CD1 4.33Å; L146-L187 HydrophobicContact CD2-CD2 4.02Å; L146-L187 HydrophobicContact CD2-CG 4.35Å; L146-R198 HydrophobicContact CD1-CB 4.24Å; L146-R198 HydrophobicContact CD2-CB 4.25Å; L146-L199 HydrophobicContact CD1-CD2 3.88Å; L146-L199 HydrophobicContact CD1-CG 4.43Å; L146-Y202 HydrophobicContact CD2-CD2 4.14Å; L146-Y202 HydrophobicContact CG-CD2 4.19Å; L146-F203 PolarHBondContact N-O 3.45Å; L146-K204 HydrophobicContact CB-CG 3.75Å; L146-K204 HydrophobicContact CD1-CD 4.21Å; L146-K204 HydrophobicContact CD1-CG 3.73Å; L146-K204 HydrophobicContact CG-CG 4.18Å; L146-K204 WeakPolarHBondContact O-CA 3.05Å; L146-F205 PolarHBondContact O-N 3.44Å |
| 147 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 113.4 | 178 | 169.5 | -129.3 | 0 | 0 | 0 | 110.2 | I137 L138 Y149 C155 W158 L162 F205 F207 | I137-Y147 WeakPolarHBondContact CA-O 3.02Å; L138-Y147 HydrophobicContact CD1-CD1 3.78Å; L138-Y147 HydrophobicContact CD1-CE1 4.22Å; L138-Y147 PolarHBondContact N-O 2.78Å; L138-Y147 PolarHBondContact O-N 2.99Å; Y147-Y149 PolarHBondContact O-N 3.46Å; Y147-C155 WeakPolarHBondContact OH-CA 3.26Å; Y147-W158 HydrophobicContact CD1-CB 3.92Å; Y147-W158 HydrophobicContact CD1-CG 4.46Å; Y147-W158 HydrophobicContact CE1-CB 3.25Å; Y147-W158 AromaticContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE2-CB 4.45Å; Y147-W158 HydrophobicContact CE2-CG 4.18Å; Y147-W158 AromaticContact CZ-CD1 3.76Å; Y147-W158 AromaticContact CZ-CG 3.68Å; Y147-L162 HydrophobicContact CD1-CD1 4.2Å; Y147-F205 WeakPolarHBondContact CA-O 3.42Å; Y147-F205 AromaticContact CD2-CD2 3.7Å; Y147-F205 HydrophobicContact CD2-CD2 3.7Å; Y147-F205 AromaticContact CD2-CE2 3.29Å; Y147-F205 HydrophobicContact CD2-CE2 3.29Å; Y147-F205 AromaticContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CE2-CD2 4.34Å; Y147-F205 AromaticContact CE2-CE2 3.96Å; Y147-F205 HydrophobicContact CE2-CE2 3.96Å; Y147-F205 AromaticContact CG-CE2 3.81Å; Y147-F205 HydrophobicContact CG-CE2 3.81Å; Y147-F205 AromaticContact CG-CZ 3.9Å; Y147-F205 HydrophobicContact CG-CZ 3.9Å; Y147-F207 HydrophobicContact CE2-CD2 4.34Å |
| 148 | C | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 109.2 | 168.9 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | H136 I137 F205 M206 C284 Y291 | H136-C148 CarbonylContact O-C 3.6Å; H136-C148 WeakPolarHBondContact O-CA 3.07Å; I137-C148 HydrophobicContact CG1-CB 3.95Å; C148-F205 PolarHBondContact N-O 3.31Å; C148-M206 HydrophobicContact CB-CB 4.09Å; C148-C284 HydrophobicContact CB-CB 3.92Å; C148-C284 WeakPolarHBondContact CB-SG 3.37Å; C148-C284 WeakPolarHBondContact SG-CA 3.33Å; C148-C284 WeakPolarHBondContact SG-CB 3.18Å; C148-C284 CovalentContact SG-SG 2.04Å; C148-C284 PolarHBondContact SG-SG 3.39Å; C148-Y291 HydrophobicContact CB-CE1 3.7Å; C148-Y291 WeakPolarHBondContact CB-OH 3.17Å |
| 149 | Y | 98.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 25.4 Ų | 25.4 | 8% | 0.078 | 12% | 0.123 | C | C | . | . | trans | -80.2 | 134.2 | -178.5 | 83.1 | -97.8 | 0 | 0 | 0 | 111 | H136 L138 Y147 P151 C155 F186 E275 | H136-Y149 HydrophobicContact CB-CD1 4.43Å; H136-Y149 HydrophobicContact CB-CE1 4.26Å; H136-Y149 AromaticContact CD2-CE1 3.79Å; H136-Y149 AromaticContact CD2-CE2 3.45Å; H136-Y149 VanDerWaalsContact CD2-CE2 3.45Å; H136-Y149 WeakPolarHBondContact CD2-CE2 3.43Å; H136-Y149 AromaticContact CD2-CZ 3.31Å; H136-Y149 PolarHBondContact CD2-O 2.53Å; H136-Y149 AromaticContact NE2-CE2 3.81Å; H136-Y149 AromaticContact NE2-CZ 3.64Å; H136-Y149 PolarHBondContact NE2-OH 3.43Å; H136-Y149 WeakPolarHBondContact O-CD1 3.38Å; H136-Y149 PolarHBondContact O-N 2.9Å; L138-Y149 HydrophobicContact CD1-CD1 4Å; L138-Y149 HydrophobicContact CD1-CG 4.48Å; L138-Y149 HydrophobicContact CG-CD1 4.28Å; Y147-Y149 PolarHBondContact O-N 3.46Å; Y149-P151 HydrophobicContact CD2-CG 4.41Å; Y149-P151 HydrophobicContact CE2-CG 4.12Å; Y149-C155 HydrophobicContact CD2-CB 4.27Å; Y149-F186 HydrophobicContact CD1-CE1 4.27Å; Y149-F186 AromaticContact CE1-CE1 3.76Å; Y149-F186 HydrophobicContact CE1-CE1 3.76Å; Y149-E275 WeakPolarHBondContact CE2-OE2 3.2Å; Y149-E275 PolarHBondContact OH-OE2 3.01Å | ||
| 150 | V | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -116.6 | 119.3 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | K152 V153 C155 M206 I280 L283 | V150-K152 PolarHBondContact O-N 3.48Å; V150-V153 HydrophobicContact CB-CB 4.16Å; V150-V153 HydrophobicContact CB-CG2 3.82Å; V150-V153 HydrophobicContact CG1-CB 4.41Å; V150-V153 HydrophobicContact CG1-CG2 3.53Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.35Å; V150-C155 WeakPolarHBondContact O-CB 3.34Å; V150-M206 HydrophobicContact CG2-CE 4.1Å; V150-I280 HydrophobicContact CG1-CB 4.42Å; V150-I280 HydrophobicContact CG1-CD1 4.23Å; V150-I280 HydrophobicContact CG1-CG1 3.79Å; V150-I280 HydrophobicContact CG1-CG2 4.15Å; V150-I280 HydrophobicContact CG2-CG2 3.78Å; V150-L283 HydrophobicContact CG1-CD1 4.1Å | ||
| 151 | P | 97.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 143.9 | 176.5 | -25.9 | 35.2 | 0 | 0 | 0 | 112.2 | Y149 V153 R214 E275 H276 | Y149-P151 HydrophobicContact CD2-CG 4.41Å; Y149-P151 HydrophobicContact CE2-CG 4.12Å; P151-V153 PolarHBondContact O-N 3.38Å; P151-R214 PolarHBondContact O-NE 3.17Å; P151-E275 HydrophobicContact CG-CB 4.22Å; P151-E275 HydrophobicContact CG-CG 4.06Å; P151-H276 VanDerWaalsContact CB-ND1 3.33Å; P151-H276 WeakPolarHBondContact CB-ND1 3.44Å |
| 152 | K | 95.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 22.7 Ų | 22.7 | 13% | 0.13 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 13.4 | -176.7 | -49.9 | -52.2 | -166.7 | -178.1 | 0 | 115.5 | V150 R209 R214 S217 A218 N221 | V150-K152 PolarHBondContact O-N 3.48Å; K152-R209 PolarHBondContact O-NH1 3.31Å; K152-R214 HydrophobicContact CB-CG 3.82Å; K152-S217 WeakPolarHBondContact CE-O 3.48Å; K152-A218 HydrophobicContact CG-CB 4.18Å; K152-N221 PolarHBondContact NZ-OD1 2.98Å |
| 153 | V | 96.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 51.2 | 174.4 | -162.1 | 0 | 0 | 0 | 0 | 110.3 | V150 P151 C155 F207 V208 R209 R214 Y297 | V150-V153 HydrophobicContact CB-CB 4.16Å; V150-V153 HydrophobicContact CB-CG2 3.82Å; V150-V153 HydrophobicContact CG1-CB 4.41Å; V150-V153 HydrophobicContact CG1-CG2 3.53Å; V150-V153 WeakPolarHBondContact O-CB 3.31Å; V150-V153 PolarHBondContact O-N 3.35Å; P151-V153 PolarHBondContact O-N 3.38Å; V153-C155 PolarHBondContact O-N 3.2Å; V153-F207 HydrophobicContact CG1-CB 3.61Å; V153-V208 WeakPolarHBondContact CG1-O 3.48Å; V153-R209 HydrophobicContact CG1-CB 4.19Å; V153-R209 HydrophobicContact CG2-CB 3.81Å; V153-R214 HydrophobicContact CG2-CG 4.38Å; V153-Y297 HydrophobicContact CG1-CD2 4.21Å |
| 154 | A | 92.4 | Very high | 96.1 | Very high | 21 Ų | 21 | 15 Ų | 15 | 17% | 0.174 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 25 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S156 N157 W158 Y297 L300 F319 | A154-S156 PolarHBondContact O-N 3.14Å; A154-S156 VanDerWaalsContact O-N 3.14Å; A154-N157 WeakPolarHBondContact O-CB 3.34Å; A154-N157 PolarHBondContact O-N 3.29Å; A154-W158 PolarHBondContact O-N 2.84Å; A154-Y297 HydrophobicContact CB-CD2 4.42Å; A154-Y297 HydrophobicContact CB-CE2 4.15Å; A154-L300 HydrophobicContact CB-CD1 3.67Å; A154-L300 HydrophobicContact CB-CD2 3.86Å; A154-L300 HydrophobicContact CB-CG 4.45Å; A154-F319 HydrophobicContact CB-CE1 4.44Å; A154-F319 HydrophobicContact CB-CZ 3.82Å |
| 155 | C | 93.6 | Very high | 96 | Very high | 15 Ų | 15 | 9.5 Ų | 9.5 | 10% | 0.101 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59 | -29.2 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | Y147 Y149 V150 V153 N157 W158 K159 | Y147-C155 WeakPolarHBondContact OH-CA 3.26Å; Y149-C155 HydrophobicContact CD2-CB 4.27Å; V150-C155 WeakPolarHBondContact O-CB 3.34Å; V153-C155 PolarHBondContact O-N 3.2Å; C155-N157 VanDerWaalsContact C-N 3.33Å; C155-W158 PolarHBondContact O-N 3.12Å; C155-K159 WeakPolarHBondContact O-CB 3.32Å; C155-K159 VanDerWaalsContact O-CG 3.32Å; C155-K159 WeakPolarHBondContact O-CG 3.19Å; C155-K159 PolarHBondContact O-N 2.95Å |
| 156 | S | 92.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 12.5 Ų | 12.5 | 27% | 0.273 | 8% | 0.075 | S | C | . | . | H | α-helix | trans | -66.6 | -35.5 | 175.6 | -52.7 | 0 | 0 | 0 | 0 | 112.3 | A154 K159 R160 H180 | A154-S156 PolarHBondContact O-N 3.14Å; A154-S156 VanDerWaalsContact O-N 3.14Å; S156-K159 PolarHBondContact O-N 2.88Å; S156-R160 PolarHBondContact O-N 3.43Å; S156-R160 VanDerWaalsContact O-N 3.09Å; S156-H180 PolarHBondContact OG-CE1 2.98Å; S156-H180 VanDerWaalsContact OG-CE1 3.24Å |
| 157 | N | 93.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 15.6 Ų | 15.6 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -71.7 | -42.7 | 176.6 | -78.5 | 10.8 | 0 | 0 | 0 | 110.7 | A154 C155 K159 R160 V161 F319 P320 E321 | A154-N157 WeakPolarHBondContact O-CB 3.34Å; A154-N157 PolarHBondContact O-N 3.29Å; C155-N157 VanDerWaalsContact C-N 3.33Å; N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 3.13Å; N157-R160 VanDerWaalsContact O-CB 3.3Å; N157-R160 WeakPolarHBondContact O-CB 3.43Å; N157-R160 PolarHBondContact O-N 2.89Å; N157-R160 VanDerWaalsContact O-N 3.11Å; N157-R160 PolarHBondContact OD1-NH1 3.22Å; N157-V161 PolarHBondContact O-N 3.14Å; N157-F319 HydrophobicContact CB-CE1 4.13Å; N157-F319 HydrophobicContact CB-CE2 3.75Å; N157-F319 HydrophobicContact CB-CZ 3.51Å; N157-P320 HydrophobicContact CB-CG 3.79Å; N157-P320 PolarHBondContact ND2-O 2.91Å; N157-E321 PolarHBondContact ND2-O 3.22Å |
| 158 | W | 96 | Very high | 95 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -41.2 | 171.3 | -81.9 | 110.7 | 0 | 0 | 0 | 112.7 | Y147 A154 C155 R160 V161 L162 F205 F207 V307 L308 F319 | Y147-W158 HydrophobicContact CD1-CB 3.92Å; Y147-W158 HydrophobicContact CD1-CG 4.46Å; Y147-W158 HydrophobicContact CE1-CB 3.25Å; Y147-W158 AromaticContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE1-CG 3.85Å; Y147-W158 HydrophobicContact CE2-CB 4.45Å; Y147-W158 HydrophobicContact CE2-CG 4.18Å; Y147-W158 AromaticContact CZ-CD1 3.76Å; Y147-W158 AromaticContact CZ-CG 3.68Å; A154-W158 PolarHBondContact O-N 2.84Å; C155-W158 PolarHBondContact O-N 3.12Å; W158-R160 VanDerWaalsContact C-N 3.28Å; W158-R160 PolarHBondContact O-N 3.38Å; W158-V161 HydrophobicContact CE3-CB 4.31Å; W158-V161 HydrophobicContact CE3-CG1 4.31Å; W158-V161 HydrophobicContact CZ3-CG1 4.23Å; W158-V161 WeakPolarHBondContact O-CB 3.48Å; W158-V161 PolarHBondContact O-N 3.28Å; W158-V161 VanDerWaalsContact O-N 3.16Å; W158-L162 WeakPolarHBondContact O-CD1 3.48Å; W158-L162 PolarHBondContact O-N 3.15Å; W158-F205 AromaticContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CZ 4.35Å; W158-F205 AromaticContact CE2-CE2 3.97Å; W158-F205 AromaticContact CE3-CE2 3.87Å; W158-F205 HydrophobicContact CE3-CE2 3.87Å; W158-F205 AromaticContact CE3-CZ 3.81Å; W158-F205 HydrophobicContact CE3-CZ 3.81Å; W158-F205 AromaticContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CZ 4.14Å; W158-F205 AromaticContact CZ2-CE2 3.99Å; W158-F205 HydrophobicContact CZ2-CE2 3.99Å; W158-F205 AromaticContact CZ3-CE2 3.87Å; W158-F205 HydrophobicContact CZ3-CE2 3.87Å; W158-F205 AromaticContact CZ3-CZ 3.69Å; W158-F205 HydrophobicContact CZ3-CZ 3.69Å; W158-F207 AromaticContact CE2-CD2 3.88Å; W158-F207 AromaticContact CE2-CE2 3.36Å; W158-F207 AromaticContact CE2-CZ 3.87Å; W158-F207 HydrophobicContact CH2-CE2 4.3Å; W158-F207 HydrophobicContact CZ2-CD2 4.2Å; W158-F207 HydrophobicContact CZ2-CE1 4.5Å; W158-F207 AromaticContact CZ2-CE2 3.23Å; W158-F207 HydrophobicContact CZ2-CE2 3.23Å; W158-F207 AromaticContact CZ2-CZ 3.44Å; W158-F207 HydrophobicContact CZ2-CZ 3.44Å; W158-F207 VanDerWaalsContact CZ2-CZ 3.44Å; W158-F207 AromaticContact NE1-CD2 3.32Å; W158-F207 VanDerWaalsContact NE1-CD2 3.32Å; W158-F207 AromaticContact NE1-CE2 3.26Å; W158-F207 VanDerWaalsContact NE1-CE2 3.26Å; W158-F207 AromaticContact NE1-CG 3.91Å; W158-F207 AromaticContact NE1-CZ 3.77Å; W158-V307 HydrophobicContact CH2-CB 3.75Å; W158-V307 HydrophobicContact CH2-CG1 3.47Å; W158-V307 VanDerWaalsContact CH2-CG1 3.47Å; W158-V307 HydrophobicContact CZ2-CB 4.33Å; W158-V307 HydrophobicContact CZ2-CG1 4.31Å; W158-V307 HydrophobicContact CZ3-CG1 3.95Å; W158-L308 HydrophobicContact CZ3-CD2 4.45Å; W158-F319 AromaticContact CD1-CE2 3.68Å; W158-F319 HydrophobicContact CD2-CD2 4.36Å; W158-F319 AromaticContact CD2-CE2 3.92Å; W158-F319 HydrophobicContact CD2-CE2 3.92Å; W158-F319 AromaticContact CE2-CE2 3.62Å; W158-F319 AromaticContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CZ2-CD2 4.13Å; W158-F319 HydrophobicContact CZ2-CE2 4.16Å; W158-F319 AromaticContact NE1-CE2 3.49Å |
| 159 | K | 95.3 | Very high | 94.5 | Very high | 8 Ų | 8 | 19.5 Ų | 19.5 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -33.9 | 174.6 | -73.9 | 178.7 | -179.5 | -168.7 | 0 | 112.7 | L138 C155 S156 N157 L162 K163 H180 L184 | L138-K159 HydrophobicContact CD1-CG 3.96Å; C155-K159 WeakPolarHBondContact O-CB 3.32Å; C155-K159 VanDerWaalsContact O-CG 3.32Å; C155-K159 WeakPolarHBondContact O-CG 3.19Å; C155-K159 PolarHBondContact O-N 2.95Å; S156-K159 PolarHBondContact O-N 2.88Å; N157-K159 VanDerWaalsContact C-N 3.33Å; N157-K159 PolarHBondContact O-N 3.13Å; K159-L162 PolarHBondContact O-N 2.91Å; K159-K163 WeakPolarHBondContact O-CG 3.34Å; K159-K163 PolarHBondContact O-N 3.37Å; K159-H180 HydrophobicContact CD-CB 4.28Å; K159-H180 PolarHBondContact NZ-O 3.08Å; K159-L184 HydrophobicContact CB-CD1 4.19Å; K159-L184 HydrophobicContact CD-CD1 3.84Å; K159-L184 HydrophobicContact CG-CD1 3.85Å |
| 160 | R | 93.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 27.4 Ų | 27.4 | 5% | 0.045 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 170.1 | -77.1 | 176.9 | -178.8 | 119.3 | -0.5 | 111.4 | S156 N157 W158 L162 K163 V164 I176 M178 P320 | S156-R160 PolarHBondContact O-N 3.43Å; S156-R160 VanDerWaalsContact O-N 3.09Å; N157-R160 VanDerWaalsContact O-CB 3.3Å; N157-R160 WeakPolarHBondContact O-CB 3.43Å; N157-R160 PolarHBondContact O-N 2.89Å; N157-R160 VanDerWaalsContact O-N 3.11Å; N157-R160 PolarHBondContact OD1-NH1 3.22Å; W158-R160 VanDerWaalsContact C-N 3.28Å; W158-R160 PolarHBondContact O-N 3.38Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.48Å; R160-K163 PolarHBondContact O-N 2.93Å; R160-K163 VanDerWaalsContact O-N 3.08Å; R160-V164 WeakPolarHBondContact O-CG2 3.4Å; R160-V164 PolarHBondContact O-N 3.34Å; R160-I176 PolarHBondContact NH2-O 2.92Å; R160-M178 HydrophobicContact CB-CE 4.46Å; R160-M178 HydrophobicContact CG-CE 3.21Å; R160-M178 HydrophobicContact CG-CG 4.45Å; R160-M178 HydrophobicContact CG-SD 3.89Å; R160-P320 HydrophobicContact CB-CG 4.34Å |
| 161 | V | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -53.9 | -48.1 | 176.8 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | N157 W158 K163 V164 L165 V172 L308 V317 F319 | N157-V161 PolarHBondContact O-N 3.14Å; W158-V161 HydrophobicContact CE3-CB 4.31Å; W158-V161 HydrophobicContact CE3-CG1 4.31Å; W158-V161 HydrophobicContact CZ3-CG1 4.23Å; W158-V161 WeakPolarHBondContact O-CB 3.48Å; W158-V161 PolarHBondContact O-N 3.28Å; W158-V161 VanDerWaalsContact O-N 3.16Å; V161-K163 PolarHBondContact O-N 3.02Å; V161-V164 PolarHBondContact O-N 2.95Å; V161-L165 HydrophobicContact CG1-CD1 3.8Å; V161-L165 HydrophobicContact CG1-CG 4.26Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 2.91Å; V161-V172 HydrophobicContact CG2-CG1 4.18Å; V161-L308 HydrophobicContact CG1-CD2 3.79Å; V161-V317 HydrophobicContact CG1-CG1 4.11Å; V161-F319 HydrophobicContact CG2-CD2 4.38Å |
| 162 | L | 96 | Very high | 93.1 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -44.5 | 177 | -87.3 | 80.2 | 0 | 0 | 0 | 112.5 | L138 F145 Y147 W158 K159 R160 V164 L165 S166 L184 | L138-L162 HydrophobicContact CB-CD2 3.56Å; L138-L162 HydrophobicContact CD1-CD2 4.05Å; L138-L162 HydrophobicContact CD2-CD2 4.38Å; L138-L162 HydrophobicContact CG-CD2 4.22Å; F145-L162 HydrophobicContact CE2-CD1 3.91Å; F145-L162 HydrophobicContact CE2-CD2 4.25Å; F145-L162 HydrophobicContact CE2-CG 3.97Å; F145-L162 HydrophobicContact CZ-CD1 4.01Å; F145-L162 HydrophobicContact CZ-CG 3.87Å; Y147-L162 HydrophobicContact CD1-CD1 4.2Å; W158-L162 WeakPolarHBondContact O-CD1 3.48Å; W158-L162 PolarHBondContact O-N 3.15Å; K159-L162 PolarHBondContact O-N 2.91Å; R160-L162 VanDerWaalsContact C-N 3.29Å; R160-L162 PolarHBondContact O-N 3.48Å; L162-V164 VanDerWaalsContact C-N 3.34Å; L162-V164 PolarHBondContact O-N 3.46Å; L162-L165 PolarHBondContact O-N 3.27Å; L162-S166 WeakPolarHBondContact O-CB 3.27Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 3.15Å; L162-L184 HydrophobicContact CB-CD2 3.84Å; L162-L184 HydrophobicContact CD2-CD2 4.2Å |
| 163 | K | 94.4 | Very high | 92.6 | Very high | 11 Ų | 11 | 32.3 Ų | 32.3 | 5% | 0.048 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -36.8 | 179.1 | -75 | -167.2 | 176 | -138.6 | 0 | 112.6 | K159 R160 V161 S166 G167 A168 L169 M178 S182 D183 L184 | K159-K163 WeakPolarHBondContact O-CG 3.34Å; K159-K163 PolarHBondContact O-N 3.37Å; R160-K163 PolarHBondContact O-N 2.93Å; R160-K163 VanDerWaalsContact O-N 3.08Å; V161-K163 PolarHBondContact O-N 3.02Å; K163-S166 PolarHBondContact O-N 3.13Å; K163-G167 PolarHBondContact O-N 3.13Å; K163-A168 HydrophobicContact CB-CB 4.21Å; K163-A168 HydrophobicContact CG-CB 4.47Å; K163-A168 WeakPolarHBondContact O-CA 3.44Å; K163-A168 PolarHBondContact O-N 3.41Å; K163-L169 HydrophobicContact CB-CB 4.23Å; K163-L169 HydrophobicContact CB-CD1 3.69Å; K163-L169 HydrophobicContact CB-CG 3.79Å; K163-L169 HydrophobicContact CD-CD1 4Å; K163-L169 HydrophobicContact CD-CG 4.23Å; K163-L169 HydrophobicContact CG-CD1 4.48Å; K163-L169 PolarHBondContact O-N 3.31Å; K163-M178 HydrophobicContact CD-SD 3.98Å; K163-S182 WeakPolarHBondContact CE-O 3.28Å; K163-S182 PolarHBondContact NZ-O 3.06Å; K163-D183 IonicContact NZ-OD2 2.73Å; K163-D183 PolarHBondContact NZ-OD2 2.71Å; K163-L184 HydrophobicContact CG-CD2 4.08Å |
| 164 | V | 95 | Very high | 91.9 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -47 | 174.4 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | R160 V161 L162 S166 G167 L169 S171 V172 F316 V317 | R160-V164 WeakPolarHBondContact O-CG2 3.4Å; R160-V164 PolarHBondContact O-N 3.34Å; V161-V164 PolarHBondContact O-N 2.95Å; L162-V164 VanDerWaalsContact C-N 3.34Å; L162-V164 PolarHBondContact O-N 3.46Å; V164-S166 PolarHBondContact O-N 2.92Å; V164-G167 PolarHBondContact O-N 3.38Å; V164-L169 WeakPolarHBondContact CA-O 3.33Å; V164-L169 HydrophobicContact CG2-CB 3.77Å; V164-S171 VanDerWaalsContact CG2-C 3.41Å; V164-V172 HydrophobicContact CB-CG1 4.24Å; V164-V172 HydrophobicContact CG2-CG1 3.79Å; V164-F316 HydrophobicContact CG1-CE2 4.34Å; V164-V317 HydrophobicContact CG1-CG2 3.91Å |
| 165 | L | 95.3 | Very high | 90.9 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -29.7 | 177.7 | -68.7 | 175.6 | 0 | 0 | 0 | 112.6 | Y143 F145 V161 L162 G167 I311 A313 V317 | Y143-L165 HydrophobicContact CD2-CB 3.99Å; Y143-L165 HydrophobicContact CD2-CD1 4.34Å; Y143-L165 HydrophobicContact CD2-CD2 4.2Å; Y143-L165 HydrophobicContact CD2-CG 4.41Å; Y143-L165 HydrophobicContact CE1-CD2 4.07Å; Y143-L165 HydrophobicContact CE2-CB 3.8Å; Y143-L165 HydrophobicContact CE2-CD2 3.74Å; Y143-L165 HydrophobicContact CE2-CG 4.25Å; F145-L165 HydrophobicContact CE1-CD1 3.85Å; F145-L165 HydrophobicContact CZ-CD1 4.09Å; V161-L165 HydrophobicContact CG1-CD1 3.8Å; V161-L165 HydrophobicContact CG1-CG 4.26Å; V161-L165 WeakPolarHBondContact O-CB 3.22Å; V161-L165 VanDerWaalsContact O-CG 3.28Å; V161-L165 WeakPolarHBondContact O-CG 3.37Å; V161-L165 PolarHBondContact O-N 2.91Å; L162-L165 PolarHBondContact O-N 3.27Å; L165-G167 VanDerWaalsContact C-N 3.34Å; L165-I311 HydrophobicContact CD1-CD1 4Å; L165-A313 HydrophobicContact CD2-CB 4.25Å; L165-V317 HydrophobicContact CD2-CB 4.44Å; L165-V317 HydrophobicContact CD2-CG1 4.16Å; L165-V317 HydrophobicContact CD2-CG2 4.05Å; L165-V317 HydrophobicContact CG-CG1 4.45Å |
| 166 | S | 92.6 | Very high | 89.9 | Confident | 63 Ų | 63 | 43.6 Ų | 43.6 | 44% | 0.441 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 2.7 | 175.2 | -57.1 | 0 | 0 | 0 | 0 | 114 | L162 K163 V164 A168 | L162-S166 WeakPolarHBondContact O-CB 3.27Å; L162-S166 PolarHBondContact O-N 3.43Å; L162-S166 PolarHBondContact O-OG 3.15Å; K163-S166 PolarHBondContact O-N 3.13Å; V164-S166 PolarHBondContact O-N 2.92Å; S166-A168 PolarHBondContact O-N 2.97Å |
| 167 | G | 91.8 | Very high | 89 | Confident | 66 Ų | 66 | 51.4 Ų | 51.4 | 68% | 0.68 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 8.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K163 V164 L165 | K163-G167 PolarHBondContact O-N 3.13Å; V164-G167 PolarHBondContact O-N 3.38Å; L165-G167 VanDerWaalsContact C-N 3.34Å |
| 168 | A | 90.9 | Very high | 88.2 | Confident | 43 Ų | 43 | 51.6 Ų | 51.6 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -80.9 | -15.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K163 S166 D183 | K163-A168 HydrophobicContact CB-CB 4.21Å; K163-A168 HydrophobicContact CG-CB 4.47Å; K163-A168 WeakPolarHBondContact O-CA 3.44Å; K163-A168 PolarHBondContact O-N 3.41Å; S166-A168 PolarHBondContact O-N 2.97Å; A168-D183 HydrophobicContact CB-CB 3.74Å |
| 169 | L | 89.7 | Confident | 87.5 | Confident | 40 Ų | 40 | 55 Ų | 55 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -135.3 | 144.1 | 171.7 | -71.7 | 178.5 | 0 | 0 | 0 | 109.8 | K163 V164 M178 | K163-L169 HydrophobicContact CB-CB 4.23Å; K163-L169 HydrophobicContact CB-CD1 3.69Å; K163-L169 HydrophobicContact CB-CG 3.79Å; K163-L169 HydrophobicContact CD-CD1 4Å; K163-L169 HydrophobicContact CD-CG 4.23Å; K163-L169 HydrophobicContact CG-CD1 4.48Å; K163-L169 PolarHBondContact O-N 3.31Å; V164-L169 WeakPolarHBondContact CA-O 3.33Å; V164-L169 HydrophobicContact CG2-CB 3.77Å; L169-M178 HydrophobicContact CD1-CE 3.91Å; L169-M178 HydrophobicContact CD1-SD 4.4Å | ||
| 170 | E | 88.5 | Confident | 86.8 | Confident | 186 Ų | 186 | 58.2 Ų | 58.2 | 87% | 0.869 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -74.2 | -34.2 | 179.7 | -63.6 | 178.9 | 173.8 | 0 | 0 | 112.9 | ||
| 171 | S | 89.6 | Confident | 86.2 | Confident | 45 Ų | 45 | 66.8 Ų | 66.8 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | trans | -151 | 154.5 | -177.1 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | V164 D173 V174 | V164-S171 VanDerWaalsContact CG2-C 3.41Å; S171-D173 VanDerWaalsContact C-N 3.27Å; S171-D173 PolarHBondContact O-N 3.32Å; S171-D173 PolarHBondContact OG-N 3.29Å; S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.41Å | ||
| 172 | V | 86.9 | Confident | 85.5 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.006 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21.3 | 175.6 | -66.9 | 0 | 0 | 0 | 0 | 112.8 | V161 V164 V174 V317 H318 P320 | V161-V172 HydrophobicContact CG2-CG1 4.18Å; V164-V172 HydrophobicContact CB-CG1 4.24Å; V164-V172 HydrophobicContact CG2-CG1 3.79Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V172-V317 HydrophobicContact CG1-CG1 4.34Å; V172-H318 WeakPolarHBondContact CG2-CE1 3.11Å; V172-H318 WeakPolarHBondContact CG2-NE2 3.28Å; V172-P320 HydrophobicContact CB-CB 4.17Å; V172-P320 HydrophobicContact CB-CG 3.94Å |
| 173 | D | 85.7 | Confident | 85 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 2.3 | -175.4 | -58.9 | -45.9 | 0 | 0 | 0 | 113.4 | S171 N175 H318 | S171-D173 VanDerWaalsContact C-N 3.27Å; S171-D173 PolarHBondContact O-N 3.32Å; S171-D173 PolarHBondContact OG-N 3.29Å; D173-N175 PolarHBondContact O-N 3Å; D173-H318 IonicContact OD1-CE1 3.66Å; D173-H318 IonicContact OD1-NE2 2.65Å; D173-H318 PolarHBondContact OD1-NE2 2.61Å; D173-H318 VanDerWaalsContact OD1-NE2 3.11Å; D173-H318 IonicContact OD2-CE1 3.86Å; D173-H318 PolarHBondContact OD2-CE1 3.03Å; D173-H318 IonicContact OD2-NE2 2.78Å; D173-H318 PolarHBondContact OD2-NE2 2.91Å |
| 174 | V | 80.8 | Confident | 85 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | trans | -61.8 | 121.3 | 178.6 | 176.6 | 0 | 0 | 0 | 0 | 110.4 | S171 V172 I176 | S171-V174 VanDerWaalsContact O-CG2 3.3Å; S171-V174 WeakPolarHBondContact O-CG2 3.41Å; V172-V174 VanDerWaalsContact C-N 3.32Å; V174-I176 HydrophobicContact CG1-CB 4.02Å; V174-I176 HydrophobicContact CG1-CD1 3.33Å; V174-I176 HydrophobicContact CG1-CG1 3.47Å; V174-I176 VanDerWaalsContact CG1-CG1 3.47Å; V174-I176 PolarHBondContact O-N 2.84Å | ||
| 175 | N | 71.6 | Confident | 85 | Confident | 129 Ų | 129 | 77.5 Ų | 77.5 | 69% | 0.69 | 42% | 0.417 | S | S | * | . | trans | -82.6 | 57.4 | -179 | -168.7 | 19.8 | 0 | 0 | 0 | 112.3 | D173 | D173-N175 PolarHBondContact O-N 3Š| ||
| 176 | I | 72.1 | Confident | 85.2 | Confident | 99 Ų | 99 | 78.6 Ų | 78.6 | 51% | 0.508 | 42% | 0.421 | S | S | . | . | trans | -109.1 | 142.9 | 175.5 | -65.7 | 170.8 | 0 | 0 | 0 | 109.4 | R160 V174 M178 | R160-I176 PolarHBondContact NH2-O 2.92Å; V174-I176 HydrophobicContact CG1-CB 4.02Å; V174-I176 HydrophobicContact CG1-CD1 3.33Å; V174-I176 HydrophobicContact CG1-CG1 3.47Å; V174-I176 VanDerWaalsContact CG1-CG1 3.47Å; V174-I176 PolarHBondContact O-N 2.84Å; I176-M178 PolarHBondContact O-N 2.89Å; I176-M178 VanDerWaalsContact O-N 3.12Å | ||
| 177 | K | 74 | Confident | 85.5 | Confident | 202 Ų | 202 | 75.6 Ų | 75.6 | 88% | 0.878 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 116.2 | 169.8 | -177.1 | 178.8 | 179.8 | 179.9 | 0 | 108.4 | D179 | K177-D179 PolarHBondContact O-N 3.05Š|
| 178 | M | 77.4 | Confident | 85.7 | Confident | 21 Ų | 21 | 75.1 Ų | 75.1 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 119.7 | -172.9 | -167.1 | 53.3 | 34.2 | 0 | 0 | 111.5 | R160 K163 L169 I176 | R160-M178 HydrophobicContact CB-CE 4.46Å; R160-M178 HydrophobicContact CG-CE 3.21Å; R160-M178 HydrophobicContact CG-CG 4.45Å; R160-M178 HydrophobicContact CG-SD 3.89Å; K163-M178 HydrophobicContact CD-SD 3.98Å; L169-M178 HydrophobicContact CD1-CE 3.91Å; L169-M178 HydrophobicContact CD1-SD 4.4Å; I176-M178 PolarHBondContact O-N 2.89Å; I176-M178 VanDerWaalsContact O-N 3.12Å |
| 179 | D | 80.3 | Confident | 86.1 | Confident | 72 Ų | 72 | 76.9 Ų | 76.9 | 39% | 0.385 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 134.2 | 162.4 | 177 | 44.9 | 0 | 0 | 0 | 109.9 | K177 S182 | K177-D179 PolarHBondContact O-N 3.05Å; D179-S182 WeakPolarHBondContact OD2-CA 3.32Å; D179-S182 WeakPolarHBondContact OD2-CB 3.44Å; D179-S182 PolarHBondContact OD2-N 3.31Å; D179-S182 PolarHBondContact OD2-OG 2.59Å |
| 180 | H | 81.4 | Confident | 86.5 | Confident | 75 Ų | 75 | 76.3 Ų | 76.3 | 35% | 0.347 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -101.4 | 4.9 | -166.6 | -72.3 | -41.2 | 0 | 0 | 0 | 113.7 | S156 K159 | S156-H180 PolarHBondContact OG-CE1 2.98Å; S156-H180 VanDerWaalsContact OG-CE1 3.24Å; K159-H180 HydrophobicContact CD-CB 4.28Å; K159-H180 PolarHBondContact NZ-O 3.08Å |
| 181 | R | 79.9 | Confident | 86.9 | Confident | 193 Ų | 193 | 73.8 Ų | 73.8 | 73% | 0.728 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -135.6 | -49.5 | -174.9 | -69.9 | -170.5 | 174.5 | -165.7 | -1.4 | 114.7 | L184 | R181-L184 PolarHBondContact O-N 2.8Š|
| 182 | S | 82.7 | Confident | 87.3 | Confident | 68 Ų | 68 | 74.8 Ų | 74.8 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 145.7 | -179.9 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | K163 D179 L184 | K163-S182 WeakPolarHBondContact CE-O 3.28Å; K163-S182 PolarHBondContact NZ-O 3.06Å; D179-S182 WeakPolarHBondContact OD2-CA 3.32Å; D179-S182 WeakPolarHBondContact OD2-CB 3.44Å; D179-S182 PolarHBondContact OD2-N 3.31Å; D179-S182 PolarHBondContact OD2-OG 2.59Å; S182-L184 PolarHBondContact O-N 3.01Å; S182-L184 VanDerWaalsContact O-N 3.12Å |
| 183 | D | 85.4 | Confident | 87.9 | Confident | 103 Ų | 103 | 80 Ų | 80 | 55% | 0.551 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | 17.7 | 177.9 | -29.5 | -58.1 | 0 | 0 | 0 | 114.1 | K163 A168 | K163-D183 IonicContact NZ-OD2 2.73Å; K163-D183 PolarHBondContact NZ-OD2 2.71Å; A168-D183 HydrophobicContact CB-CB 3.74Å |
| 184 | L | 93.1 | Very high | 88.5 | Confident | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 40% | 0.401 | C | S | . | . | trans | -121 | 127.1 | 176.5 | -66.6 | 175.5 | 0 | 0 | 0 | 110.1 | L138 K159 L162 K163 R181 S182 F186 | L138-L184 HydrophobicContact CD2-CB 3.68Å; L138-L184 HydrophobicContact CD2-CD1 4.05Å; L138-L184 HydrophobicContact CD2-CD2 4.21Å; L138-L184 HydrophobicContact CD2-CG 4.2Å; K159-L184 HydrophobicContact CB-CD1 4.19Å; K159-L184 HydrophobicContact CD-CD1 3.84Å; K159-L184 HydrophobicContact CG-CD1 3.85Å; L162-L184 HydrophobicContact CB-CD2 3.84Å; L162-L184 HydrophobicContact CD2-CD2 4.2Å; K163-L184 HydrophobicContact CG-CD2 4.08Å; R181-L184 PolarHBondContact O-N 2.8Å; S182-L184 PolarHBondContact O-N 3.01Å; S182-L184 VanDerWaalsContact O-N 3.12Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 4.23Å; L184-F186 WeakPolarHBondContact O-CD2 3.38Å | ||
| 185 | L | 96.7 | Very high | 89.3 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 32% | 0.319 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 130.3 | 175 | -176.7 | 63 | 0 | 0 | 0 | 109.9 | L138 V139 S189 L190 | L138-L185 CarbonylContact C-O 3.54Å; L138-L185 WeakPolarHBondContact CA-O 3.34Å; V139-L185 HydrophobicContact CB-CB 4.15Å; V139-L185 HydrophobicContact CB-CD2 3.88Å; V139-L185 HydrophobicContact CB-CG 3.92Å; V139-L185 HydrophobicContact CG1-CD2 3.88Å; V139-L185 HydrophobicContact CG1-CG 4.47Å; V139-L185 HydrophobicContact CG2-CG 4.31Å; V139-L185 PolarHBondContact N-O 3.17Å; L185-S189 WeakPolarHBondContact CD1-OG 3.4Å; L185-L190 HydrophobicContact CD1-CD2 3.99Å; L185-L190 HydrophobicContact CD1-CG 4.47Å; L185-L190 HydrophobicContact CD2-CD2 4.34Å |
| 186 | F | 98 | Very high | 90.6 | Very high | 29 Ų | 29 | 78.3 Ų | 78.3 | 13% | 0.127 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 149.9 | 177.5 | -65.6 | -93.1 | 0 | 0 | 0 | 110.1 | Q135 I137 L138 Y149 L184 S188 S189 | Q135-F186 WeakPolarHBondContact O-CD1 3.35Å; Q135-F186 WeakPolarHBondContact O-CE1 3.22Å; I137-F186 CarbonylContact O-C 3.57Å; I137-F186 WeakPolarHBondContact O-CA 3.37Å; L138-F186 HydrophobicContact CD2-CD1 3.74Å; L138-F186 HydrophobicContact CD2-CD2 4.33Å; L138-F186 HydrophobicContact CD2-CE1 3.33Å; L138-F186 HydrophobicContact CD2-CE2 3.98Å; L138-F186 HydrophobicContact CD2-CG 4.23Å; L138-F186 HydrophobicContact CD2-CZ 3.48Å; L138-F186 VanDerWaalsContact CD2-CZ 3.48Å; L138-F186 HydrophobicContact CG-CD1 4.17Å; L138-F186 HydrophobicContact CG-CE1 3.85Å; L138-F186 HydrophobicContact CG-CZ 4.43Å; Y149-F186 HydrophobicContact CD1-CE1 4.27Å; Y149-F186 AromaticContact CE1-CE1 3.76Å; Y149-F186 HydrophobicContact CE1-CE1 3.76Å; L184-F186 HydrophobicContact CB-CE2 3.85Å; L184-F186 HydrophobicContact CB-CZ 4.23Å; L184-F186 WeakPolarHBondContact O-CD2 3.38Å; F186-S188 PolarHBondContact O-N 2.77Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.11Å; F186-S189 PolarHBondContact O-OG 2.77Å |
| 187 | L | 98.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 38% | 0.381 | C | S | . | . | G | 310 helix | trans | -59.2 | -30.9 | 172.9 | -74.2 | -174.9 | 0 | 0 | 0 | 111.9 | L134 I137 V139 L146 S189 L190 I195 R198 L199 | L134-L187 HydrophobicContact CB-CB 4.33Å; L134-L187 HydrophobicContact CD2-CB 3.87Å; L134-L187 HydrophobicContact CD2-CD1 4.03Å; I137-L187 HydrophobicContact CB-CB 4.4Å; I137-L187 HydrophobicContact CB-CD1 3.72Å; I137-L187 HydrophobicContact CB-CG 3.97Å; I137-L187 HydrophobicContact CD1-CD1 3.85Å; I137-L187 HydrophobicContact CG1-CD1 4.39Å; I137-L187 HydrophobicContact CG2-CD1 3.46Å; I137-L187 VanDerWaalsContact CG2-CD1 3.46Å; I137-L187 HydrophobicContact CG2-CG 3.69Å; I137-L187 PolarHBondContact O-N 3.23Å; V139-L187 HydrophobicContact CG2-CD2 3.56Å; V139-L187 HydrophobicContact CG2-CG 3.94Å; L146-L187 HydrophobicContact CD1-CD1 4.33Å; L146-L187 HydrophobicContact CD2-CD2 4.02Å; L146-L187 HydrophobicContact CD2-CG 4.35Å; L187-S189 PolarHBondContact O-N 3.08Å; L187-L190 HydrophobicContact CD2-CD1 4.07Å; L187-L190 PolarHBondContact O-N 2.58Å; L187-L190 VanDerWaalsContact O-N 3.13Å; L187-I195 HydrophobicContact CB-CG1 4.41Å; L187-I195 HydrophobicContact CD1-CG2 4.41Å; L187-I195 HydrophobicContact CD2-CG1 4.37Å; L187-I195 VanDerWaalsContact O-CD1 3.29Å; L187-I195 WeakPolarHBondContact O-CD1 3.21Å; L187-I195 WeakPolarHBondContact O-CG1 3.44Å; L187-R198 HydrophobicContact CD2-CB 4.38Å; L187-L199 HydrophobicContact CD1-CD2 3.95Å; L187-L199 HydrophobicContact CD1-CG 4.19Å |
| 188 | S | 97.7 | Very high | 93 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -64.3 | -16.2 | 178.4 | 59.3 | 0 | 0 | 0 | 0 | 115 | L134 F186 | L134-S188 PolarHBondContact O-N 3.47Å; F186-S188 PolarHBondContact O-N 2.77Å |
| 189 | S | 97.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 70.9 Ų | 70.9 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -94.5 | -0.1 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | L185 F186 L187 | L185-S189 WeakPolarHBondContact CD1-OG 3.4Å; F186-S189 PolarHBondContact O-N 2.85Å; F186-S189 VanDerWaalsContact O-N 3.11Å; F186-S189 PolarHBondContact O-OG 2.77Å; L187-S189 PolarHBondContact O-N 3.08Å |
| 190 | L | 98.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 75.1 Ų | 75.1 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -102.4 | 159.3 | -177 | -62.5 | -178.3 | 0 | 0 | 0 | 112.1 | V139 L185 L187 E194 I195 | V139-L190 HydrophobicContact CG2-CD1 4.21Å; L185-L190 HydrophobicContact CD1-CD2 3.99Å; L185-L190 HydrophobicContact CD1-CG 4.47Å; L185-L190 HydrophobicContact CD2-CD2 4.34Å; L187-L190 HydrophobicContact CD2-CD1 4.07Å; L187-L190 PolarHBondContact O-N 2.58Å; L187-L190 VanDerWaalsContact O-N 3.13Å; L190-E194 HydrophobicContact CB-CB 4.05Å; L190-E194 HydrophobicContact CD1-CB 4.45Å; L190-I195 HydrophobicContact CB-CG1 3.9Å |
| 191 | K | 98.3 | Very high | 95.7 | Very high | 133 Ų | 133 | 75.7 Ų | 75.7 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | trans | -73 | 155.5 | 174.1 | -61.4 | 178.9 | -176.9 | 172.8 | 0 | 111.4 | E193 E194 I195 | K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 VanDerWaalsContact CB-CD 3.44Å; K191-E193 WeakPolarHBondContact CB-OE1 3.32Å; K191-E193 WeakPolarHBondContact CB-OE2 3.47Å; K191-E193 WeakPolarHBondContact CD-OE1 3.21Å; K191-E193 PolarHBondContact O-N 3.23Å; K191-E194 HydrophobicContact CB-CG 4.35Å; K191-E194 PolarHBondContact N-OE2 3.06Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.9Å | ||
| 192 | P | 98.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 67.4 Ų | 67.4 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -53.5 | -37.6 | -177.1 | -29.9 | 37.6 | 0 | 0 | 0 | 115.8 | W123 R196 | W123-P192 HydrophobicContact CH2-CB 3.69Å; W123-P192 HydrophobicContact CH2-CG 4.3Å; W123-P192 HydrophobicContact CZ2-CB 4.12Å; W123-P192 HydrophobicContact CZ3-CB 4.48Å; P192-R196 PolarHBondContact O-N 2.78Å |
| 193 | E | 98.1 | Very high | 97.4 | Very high | 112 Ų | 112 | 65.4 Ų | 65.4 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -67.1 | -40.8 | 177.5 | 63.8 | -77.7 | -175.5 | 0 | 0 | 112.3 | K191 R196 Y197 | K191-E193 VanDerWaalsContact C-N 3.28Å; K191-E193 VanDerWaalsContact CB-CD 3.44Å; K191-E193 WeakPolarHBondContact CB-OE1 3.32Å; K191-E193 WeakPolarHBondContact CB-OE2 3.47Å; K191-E193 WeakPolarHBondContact CD-OE1 3.21Å; K191-E193 PolarHBondContact O-N 3.23Å; E193-R196 PolarHBondContact O-N 2.65Å; E193-Y197 PolarHBondContact O-N 2.04Å |
| 194 | E | 98.6 | Very high | 98 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.3 | -67.3 | -176.9 | 118.1 | 0 | 0 | 111.5 | L190 K191 Y197 R198 | L190-E194 HydrophobicContact CB-CB 4.05Å; L190-E194 HydrophobicContact CD1-CB 4.45Å; K191-E194 HydrophobicContact CB-CG 4.35Å; K191-E194 PolarHBondContact N-OE2 3.06Å; K191-E194 WeakPolarHBondContact O-CB 3.37Å; K191-E194 PolarHBondContact O-N 2.98Å; E194-Y197 PolarHBondContact O-N 3Å; E194-R198 WeakPolarHBondContact O-CG 3.13Å; E194-R198 PolarHBondContact O-N 3.22Å; E194-R198 VanDerWaalsContact O-N 3.14Å; E194-R198 PolarHBondContact O-NH1 3.28Å |
| 195 | I | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -48.5 | 173.9 | -65.9 | 168.4 | 0 | 0 | 0 | 110.1 | W123 L134 L187 L190 K191 Y197 R198 L199 | W123-I195 HydrophobicContact CH2-CD1 4.46Å; W123-I195 HydrophobicContact CZ2-CB 4.41Å; W123-I195 HydrophobicContact CZ2-CG2 4.15Å; L134-I195 HydrophobicContact CD1-CD1 4.07Å; L134-I195 HydrophobicContact CD2-CD1 4.46Å; L134-I195 HydrophobicContact CD2-CG2 3.98Å; L187-I195 HydrophobicContact CB-CG1 4.41Å; L187-I195 HydrophobicContact CD1-CG2 4.41Å; L187-I195 HydrophobicContact CD2-CG1 4.37Å; L187-I195 VanDerWaalsContact O-CD1 3.29Å; L187-I195 WeakPolarHBondContact O-CD1 3.21Å; L187-I195 WeakPolarHBondContact O-CG1 3.44Å; L190-I195 HydrophobicContact CB-CG1 3.9Å; K191-I195 WeakPolarHBondContact O-CG1 3.45Å; K191-I195 PolarHBondContact O-N 2.9Å; I195-Y197 VanDerWaalsContact C-N 3.34Å; I195-Y197 PolarHBondContact O-N 3.39Å; I195-R198 PolarHBondContact O-N 3.32Å; I195-L199 HydrophobicContact CG2-CD1 3.63Å; I195-L199 HydrophobicContact CG2-CG 4.21Å; I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 WeakPolarHBondContact O-CG 3.3Å; I195-L199 PolarHBondContact O-N 2.99Å |
| 196 | R | 98.4 | Very high | 98.4 | Very high | 154 Ų | 154 | 57.6 Ų | 57.6 | 58% | 0.581 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.7 | -44.5 | 178.4 | -82.9 | -174.9 | -148.6 | 169.1 | 8.4 | 112 | W123 P192 E193 K200 | W123-R196 HydrophobicContact CZ2-CG 4.24Å; P192-R196 PolarHBondContact O-N 2.78Å; E193-R196 PolarHBondContact O-N 2.65Å; R196-K200 VanDerWaalsContact O-CB 3.32Å; R196-K200 WeakPolarHBondContact O-CB 3.41Å; R196-K200 PolarHBondContact O-N 3.27Å |
| 197 | Y | 98.7 | Very high | 98.4 | Very high | 112 Ų | 112 | 56.2 Ų | 56.2 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -57.8 | -52.3 | 179.1 | 178.1 | -95.7 | 0 | 0 | 0 | 110.8 | E193 E194 I195 K200 H201 Y202 | E193-Y197 PolarHBondContact O-N 2.04Å; E194-Y197 PolarHBondContact O-N 3Å; I195-Y197 VanDerWaalsContact C-N 3.34Å; I195-Y197 PolarHBondContact O-N 3.39Å; Y197-K200 PolarHBondContact O-N 3.09Å; Y197-K200 VanDerWaalsContact O-N 3.16Å; Y197-H201 AromaticContact CD2-CD2 3.42Å; Y197-H201 VanDerWaalsContact CD2-CD2 3.42Å; Y197-H201 WeakPolarHBondContact CD2-CD2 3.26Å; Y197-H201 AromaticContact CD2-NE2 4Å; Y197-H201 AromaticContact CE2-CD2 3.47Å; Y197-H201 VanDerWaalsContact CE2-CD2 3.47Å; Y197-H201 WeakPolarHBondContact CE2-CD2 3.32Å; Y197-H201 AromaticContact CG-CD2 3.99Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-CD2 3.36Å; Y197-H201 PolarHBondContact O-N 3.43Å; Y197-Y202 HydrophobicContact CD1-CE1 4.47Å; Y197-Y202 HydrophobicContact CE1-CE1 4.02Å |
| 198 | R | 98.7 | Very high | 98.4 | Very high | 27 Ų | 27 | 56.2 Ų | 56.2 | 10% | 0.102 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -45.1 | -178.3 | -67.2 | 172.4 | 172.7 | 78 | -7.5 | 112.2 | D141 L146 L187 E194 I195 K200 H201 Y202 | D141-R198 VanDerWaalsContact CG-NH2 3.3Å; D141-R198 IonicContact OD1-CZ 2.74Å; D141-R198 VanDerWaalsContact OD1-CZ 3.29Å; D141-R198 IonicContact OD1-NE 2.78Å; D141-R198 PolarHBondContact OD1-NE 3.33Å; D141-R198 IonicContact OD1-NH2 3.62Å; D141-R198 PolarHBondContact OD1-NH2 3.24Å; D141-R198 VanDerWaalsContact OD1-NH2 3.14Å; D141-R198 IonicContact OD2-CZ 3.76Å; D141-R198 IonicContact OD2-NE 3.61Å; D141-R198 IonicContact OD2-NH2 3.67Å; D141-R198 PolarHBondContact OD2-NH2 2.88Å; L146-R198 HydrophobicContact CD1-CB 4.24Å; L146-R198 HydrophobicContact CD2-CB 4.25Å; L187-R198 HydrophobicContact CD2-CB 4.38Å; E194-R198 WeakPolarHBondContact O-CG 3.13Å; E194-R198 PolarHBondContact O-N 3.22Å; E194-R198 VanDerWaalsContact O-N 3.14Å; E194-R198 PolarHBondContact O-NH1 3.28Å; I195-R198 PolarHBondContact O-N 3.32Å; R198-K200 PolarHBondContact O-N 3.41Å; R198-K200 VanDerWaalsContact O-N 3.16Å; R198-H201 PolarHBondContact O-N 2.95Å; R198-Y202 HydrophobicContact CB-CD1 4.47Å; R198-Y202 HydrophobicContact CB-CD2 4.1Å; R198-Y202 HydrophobicContact CB-CE2 4.29Å; R198-Y202 HydrophobicContact CB-CG 4.19Å; R198-Y202 HydrophobicContact CG-CD1 4.44Å; R198-Y202 HydrophobicContact CG-CD2 4.07Å; R198-Y202 HydrophobicContact CG-CE1 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.74Å; R198-Y202 HydrophobicContact CG-CG 4.4Å; R198-Y202 VanDerWaalsContact O-CB 3.28Å; R198-Y202 WeakPolarHBondContact O-CB 3.35Å; R198-Y202 PolarHBondContact O-N 3.47Å |
| 199 | L | 98.5 | Very high | 98.4 | Very high | 26 Ų | 26 | 53.6 Ų | 53.6 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -28.6 | 175.9 | -74.6 | 174.7 | 0 | 0 | 0 | 112.8 | V122 L146 L187 I195 K204 V289 | V122-L199 HydrophobicContact CG1-CD1 4.04Å; V122-L199 HydrophobicContact CG2-CD1 3.65Å; L146-L199 HydrophobicContact CD1-CD2 3.88Å; L146-L199 HydrophobicContact CD1-CG 4.43Å; L187-L199 HydrophobicContact CD1-CD2 3.95Å; L187-L199 HydrophobicContact CD1-CG 4.19Å; I195-L199 HydrophobicContact CG2-CD1 3.63Å; I195-L199 HydrophobicContact CG2-CG 4.21Å; I195-L199 WeakPolarHBondContact O-CB 3.45Å; I195-L199 WeakPolarHBondContact O-CG 3.3Å; I195-L199 PolarHBondContact O-N 2.99Å; L199-K204 HydrophobicContact CD2-CD 4.45Å; L199-K204 VanDerWaalsContact O-CE 3.32Å; L199-K204 WeakPolarHBondContact O-CE 3.46Å; L199-K204 PolarHBondContact O-NZ 3.25Å; L199-V289 HydrophobicContact CD2-CG1 4.21Å |
| 200 | K | 98.3 | Very high | 98.4 | Very high | 161 Ų | 161 | 50.9 Ų | 50.9 | 70% | 0.7 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -82.9 | -39.4 | 177 | -174.9 | 175 | 177.5 | -174.8 | 0 | 112.8 | R196 Y197 R198 | R196-K200 VanDerWaalsContact O-CB 3.32Å; R196-K200 WeakPolarHBondContact O-CB 3.41Å; R196-K200 PolarHBondContact O-N 3.27Å; Y197-K200 PolarHBondContact O-N 3.09Å; Y197-K200 VanDerWaalsContact O-N 3.16Å; R198-K200 PolarHBondContact O-N 3.41Å; R198-K200 VanDerWaalsContact O-N 3.16Å |
| 201 | H | 98.5 | Very high | 98.4 | Very high | 88 Ų | 88 | 49.5 Ų | 49.5 | 41% | 0.407 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -110.4 | -12.9 | -164 | -66.3 | -69.4 | 0 | 0 | 0 | 115.6 | Y197 R198 | Y197-H201 AromaticContact CD2-CD2 3.42Å; Y197-H201 VanDerWaalsContact CD2-CD2 3.42Å; Y197-H201 WeakPolarHBondContact CD2-CD2 3.26Å; Y197-H201 AromaticContact CD2-NE2 4Å; Y197-H201 AromaticContact CE2-CD2 3.47Å; Y197-H201 VanDerWaalsContact CE2-CD2 3.47Å; Y197-H201 WeakPolarHBondContact CE2-CD2 3.32Å; Y197-H201 AromaticContact CG-CD2 3.99Å; Y197-H201 WeakPolarHBondContact O-CB 3.48Å; Y197-H201 PolarHBondContact O-CD2 3.36Å; Y197-H201 PolarHBondContact O-N 3.43Å; R198-H201 PolarHBondContact O-N 2.95Å |
| 202 | Y | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -98.3 | 152.5 | -175.1 | -74.8 | 20.8 | 0 | 0 | 0 | 111.5 | V139 D141 R144 L146 Y197 R198 K204 | V139-Y202 HydrophobicContact CG1-CE2 4.2Å; D141-Y202 WeakPolarHBondContact OD1-CE2 3.37Å; D141-Y202 VanDerWaalsContact OD1-CZ 3.24Å; D141-Y202 PolarHBondContact OD1-OH 2.73Å; R144-Y202 VanDerWaalsContact C-CD2 3.45Å; R144-Y202 HydrophobicContact CB-CD1 4.04Å; R144-Y202 HydrophobicContact CB-CD2 4.49Å; R144-Y202 HydrophobicContact CB-CE1 4.08Å; R144-Y202 HydrophobicContact CB-CG 4.26Å; R144-Y202 HydrophobicContact CG-CE1 4.16Å; R144-Y202 VanDerWaalsContact O-CA 3.3Å; R144-Y202 WeakPolarHBondContact O-CA 3.35Å; R144-Y202 VanDerWaalsContact O-CB 3.23Å; R144-Y202 WeakPolarHBondContact O-CB 3.33Å; L146-Y202 HydrophobicContact CD2-CD2 4.14Å; L146-Y202 HydrophobicContact CG-CD2 4.19Å; Y197-Y202 HydrophobicContact CD1-CE1 4.47Å; Y197-Y202 HydrophobicContact CE1-CE1 4.02Å; R198-Y202 HydrophobicContact CB-CD1 4.47Å; R198-Y202 HydrophobicContact CB-CD2 4.1Å; R198-Y202 HydrophobicContact CB-CE2 4.29Å; R198-Y202 HydrophobicContact CB-CG 4.19Å; R198-Y202 HydrophobicContact CG-CD1 4.44Å; R198-Y202 HydrophobicContact CG-CD2 4.07Å; R198-Y202 HydrophobicContact CG-CE1 4.14Å; R198-Y202 HydrophobicContact CG-CE2 3.74Å; R198-Y202 HydrophobicContact CG-CG 4.4Å; R198-Y202 VanDerWaalsContact O-CB 3.28Å; R198-Y202 WeakPolarHBondContact O-CB 3.35Å; R198-Y202 PolarHBondContact O-N 3.47Å; Y202-K204 WeakPolarHBondContact O-CE 3.26Å; Y202-K204 PolarHBondContact O-N 3.15Å |
| 203 | F | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 11% | 0.114 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 120.9 | 170.5 | 177.9 | -103.6 | 0 | 0 | 0 | 109.6 | R144 F145 L146 F205 N292 F293 V307 R310 I311 | R144-F203 PolarHBondContact O-N 3.2Å; F145-F203 CarbonylContact C-O 3.59Å; F145-F203 WeakPolarHBondContact CA-O 3.04Å; F145-F203 HydrophobicContact CB-CB 4.31Å; F145-F203 HydrophobicContact CB-CD1 4.36Å; F145-F203 WeakPolarHBondContact CB-O 3.24Å; L146-F203 PolarHBondContact N-O 3.45Å; F203-F205 AromaticContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CE1-CB 3.92Å; F203-F205 AromaticContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CG 4.11Å; F203-F205 HydrophobicContact CZ-CB 4.39Å; F203-N292 HydrophobicContact CD2-CB 3.52Å; F203-N292 HydrophobicContact CE2-CB 3.37Å; F203-N292 HydrophobicContact CG-CB 4.49Å; F203-N292 HydrophobicContact CZ-CB 4.26Å; F203-F293 HydrophobicContact CE2-CB 4.39Å; F203-F293 HydrophobicContact CZ-CB 3.75Å; F203-V307 HydrophobicContact CE1-CG1 4.31Å; F203-R310 HydrophobicContact CD2-CG 4.02Å; F203-R310 HydrophobicContact CE1-CG 4.2Å; F203-R310 HydrophobicContact CE2-CG 3.59Å; F203-R310 HydrophobicContact CG-CG 4.48Å; F203-R310 HydrophobicContact CZ-CB 4.35Å; F203-R310 HydrophobicContact CZ-CG 3.7Å; F203-I311 HydrophobicContact CD1-CG2 3.71Å; F203-I311 HydrophobicContact CE1-CG2 4.21Å |
| 204 | K | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.4 | -177.6 | -73.4 | 150.6 | -75.7 | 173.1 | 0 | 110.5 | L146 L199 Y202 V289 S290 Y291 N292 F293 | L146-K204 HydrophobicContact CB-CG 3.75Å; L146-K204 HydrophobicContact CD1-CD 4.21Å; L146-K204 HydrophobicContact CD1-CG 3.73Å; L146-K204 HydrophobicContact CG-CG 4.18Å; L146-K204 WeakPolarHBondContact O-CA 3.05Å; L199-K204 HydrophobicContact CD2-CD 4.45Å; L199-K204 VanDerWaalsContact O-CE 3.32Å; L199-K204 WeakPolarHBondContact O-CE 3.46Å; L199-K204 PolarHBondContact O-NZ 3.25Å; Y202-K204 WeakPolarHBondContact O-CE 3.26Å; Y202-K204 PolarHBondContact O-N 3.15Å; K204-V289 HydrophobicContact CD-CG1 4.21Å; K204-S290 WeakPolarHBondContact CD-O 3.24Å; K204-S290 VanDerWaalsContact CE-O 3.24Å; K204-S290 WeakPolarHBondContact CE-O 3.38Å; K204-S290 PolarHBondContact NZ-O 3.41Å; K204-Y291 HydrophobicContact CB-CD1 4.03Å; K204-N292 PolarHBondContact N-OD1 3.49Å; K204-N292 WeakPolarHBondContact O-CA 3.39Å; K204-N292 WeakPolarHBondContact O-CB 3.42Å; K204-N292 PolarHBondContact O-N 3.05Å; K204-F293 PolarHBondContact O-N 3.47Å |
| 205 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 161.1 | 172.5 | 70.7 | -85.1 | 0 | 0 | 0 | 112.9 | F145 L146 Y147 C148 W158 F203 F207 F293 V307 | F145-F205 HydrophobicContact CB-CE1 4.37Å; F145-F205 HydrophobicContact CD2-CD1 4.49Å; F145-F205 AromaticContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CE1 3.54Å; F145-F205 HydrophobicContact CD2-CZ 4.23Å; F145-F205 HydrophobicContact CE2-CE1 4.04Å; F145-F205 HydrophobicContact CE2-CZ 4.28Å; F145-F205 HydrophobicContact CG-CE1 4.09Å; L146-F205 PolarHBondContact O-N 3.44Å; Y147-F205 WeakPolarHBondContact CA-O 3.42Å; Y147-F205 AromaticContact CD2-CD2 3.7Å; Y147-F205 HydrophobicContact CD2-CD2 3.7Å; Y147-F205 AromaticContact CD2-CE2 3.29Å; Y147-F205 HydrophobicContact CD2-CE2 3.29Å; Y147-F205 AromaticContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CD2-CZ 3.87Å; Y147-F205 HydrophobicContact CE2-CD2 4.34Å; Y147-F205 AromaticContact CE2-CE2 3.96Å; Y147-F205 HydrophobicContact CE2-CE2 3.96Å; Y147-F205 AromaticContact CG-CE2 3.81Å; Y147-F205 HydrophobicContact CG-CE2 3.81Å; Y147-F205 AromaticContact CG-CZ 3.9Å; Y147-F205 HydrophobicContact CG-CZ 3.9Å; C148-F205 PolarHBondContact N-O 3.31Å; W158-F205 AromaticContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CE2 3.95Å; W158-F205 HydrophobicContact CD2-CZ 4.35Å; W158-F205 AromaticContact CE2-CE2 3.97Å; W158-F205 AromaticContact CE3-CE2 3.87Å; W158-F205 HydrophobicContact CE3-CE2 3.87Å; W158-F205 AromaticContact CE3-CZ 3.81Å; W158-F205 HydrophobicContact CE3-CZ 3.81Å; W158-F205 AromaticContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CE2 3.95Å; W158-F205 HydrophobicContact CH2-CZ 4.14Å; W158-F205 AromaticContact CZ2-CE2 3.99Å; W158-F205 HydrophobicContact CZ2-CE2 3.99Å; W158-F205 AromaticContact CZ3-CE2 3.87Å; W158-F205 HydrophobicContact CZ3-CE2 3.87Å; W158-F205 AromaticContact CZ3-CZ 3.69Å; W158-F205 HydrophobicContact CZ3-CZ 3.69Å; F203-F205 AromaticContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CD1-CD1 3.85Å; F203-F205 HydrophobicContact CE1-CB 3.92Å; F203-F205 AromaticContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CD1 3.66Å; F203-F205 HydrophobicContact CE1-CG 4.11Å; F203-F205 HydrophobicContact CZ-CB 4.39Å; F205-F207 HydrophobicContact CD2-CD2 4.06Å; F205-F207 AromaticContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CE2-CD2 4.31Å; F205-F207 AromaticContact CE2-CE2 3.9Å; F205-F207 HydrophobicContact CE2-CE2 3.9Å; F205-F293 WeakPolarHBondContact CA-O 3.45Å; F205-F293 HydrophobicContact CB-CB 4.14Å; F205-F293 HydrophobicContact CB-CD1 4.44Å; F205-F293 WeakPolarHBondContact CB-O 3.36Å; F205-V307 HydrophobicContact CB-CG2 4.48Å; F205-V307 HydrophobicContact CD1-CG1 3.87Å; F205-V307 HydrophobicContact CD2-CG1 4.03Å; F205-V307 HydrophobicContact CD2-CG2 4.18Å; F205-V307 HydrophobicContact CE1-CG1 3.65Å; F205-V307 HydrophobicContact CE2-CG1 3.84Å; F205-V307 HydrophobicContact CG-CG1 4.04Å; F205-V307 HydrophobicContact CG-CG2 4.25Å; F205-V307 HydrophobicContact CZ-CG1 3.64Å |
| 206 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 163.9 | 171.3 | 63.5 | 178.7 | -67.2 | 0 | 0 | 109.6 | C148 V150 V208 I280 C284 Y291 F293 I294 G295 F360 | C148-M206 HydrophobicContact CB-CB 4.09Å; V150-M206 HydrophobicContact CG2-CE 4.1Å; M206-V208 HydrophobicContact CE-CG1 3.82Å; M206-I280 HydrophobicContact CE-CG2 3.45Å; M206-I280 VanDerWaalsContact CE-CG2 3.45Å; M206-C284 HydrophobicContact CE-CB 3.56Å; M206-C284 HydrophobicContact SD-CB 3.82Å; M206-Y291 HydrophobicContact CB-CD1 4.16Å; M206-Y291 HydrophobicContact CB-CE1 4Å; M206-Y291 HydrophobicContact CG-CD1 3.99Å; M206-Y291 HydrophobicContact CG-CD2 4.38Å; M206-Y291 HydrophobicContact CG-CE1 4.13Å; M206-Y291 HydrophobicContact CG-CG 4.14Å; M206-Y291 HydrophobicContact SD-CD1 4.32Å; M206-Y291 HydrophobicContact SD-CD2 3.79Å; M206-Y291 HydrophobicContact SD-CE1 4.18Å; M206-Y291 HydrophobicContact SD-CE2 3.62Å; M206-Y291 HydrophobicContact SD-CG 4.16Å; M206-F293 PolarHBondContact N-O 3.33Å; M206-I294 HydrophobicContact CG-CB 4.42Å; M206-I294 HydrophobicContact CG-CG1 3.92Å; M206-I294 HydrophobicContact CG-CG2 4.11Å; M206-I294 CarbonylContact O-C 3.56Å; M206-I294 WeakPolarHBondContact O-CA 3.32Å; M206-I294 HydrophobicContact SD-CG1 4.47Å; M206-G295 PolarHBondContact O-N 3.48Å; M206-F360 HydrophobicContact CE-CE1 4.37Å; M206-F360 HydrophobicContact CE-CZ 4.03Å |
| 207 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 142.6 | 171.9 | -77.3 | -105.6 | 0 | 0 | 0 | 109.8 | Y147 V153 W158 F205 F293 G295 L300 D303 V307 | Y147-F207 HydrophobicContact CE2-CD2 4.34Å; V153-F207 HydrophobicContact CG1-CB 3.61Å; W158-F207 AromaticContact CE2-CD2 3.88Å; W158-F207 AromaticContact CE2-CE2 3.36Å; W158-F207 AromaticContact CE2-CZ 3.87Å; W158-F207 HydrophobicContact CH2-CE2 4.3Å; W158-F207 HydrophobicContact CZ2-CD2 4.2Å; W158-F207 HydrophobicContact CZ2-CE1 4.5Å; W158-F207 AromaticContact CZ2-CE2 3.23Å; W158-F207 HydrophobicContact CZ2-CE2 3.23Å; W158-F207 AromaticContact CZ2-CZ 3.44Å; W158-F207 HydrophobicContact CZ2-CZ 3.44Å; W158-F207 VanDerWaalsContact CZ2-CZ 3.44Å; W158-F207 AromaticContact NE1-CD2 3.32Å; W158-F207 VanDerWaalsContact NE1-CD2 3.32Å; W158-F207 AromaticContact NE1-CE2 3.26Å; W158-F207 VanDerWaalsContact NE1-CE2 3.26Å; W158-F207 AromaticContact NE1-CG 3.91Å; W158-F207 AromaticContact NE1-CZ 3.77Å; F205-F207 HydrophobicContact CD2-CD2 4.06Å; F205-F207 AromaticContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CD2-CE2 3.7Å; F205-F207 HydrophobicContact CE2-CD2 4.31Å; F205-F207 AromaticContact CE2-CE2 3.9Å; F205-F207 HydrophobicContact CE2-CE2 3.9Å; F207-F293 HydrophobicContact CZ-CE1 4.33Å; F207-G295 CarbonylContact C-O 3.58Å; F207-G295 VanDerWaalsContact CA-O 3.31Å; F207-G295 WeakPolarHBondContact CA-O 3.29Å; F207-L300 HydrophobicContact CD1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CD2 3.99Å; F207-D303 HydrophobicContact CE1-CB 3.62Å; F207-D303 HydrophobicContact CZ-CB 4.12Å; F207-V307 HydrophobicContact CE2-CG2 4.31Å; F207-V307 HydrophobicContact CZ-CG2 4.29Å |
| 208 | V | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 163.3 | 178.7 | -63 | 0 | 0 | 0 | 0 | 110.7 | V153 M206 I280 I294 G295 S296 Y297 F360 Y362 | V153-V208 WeakPolarHBondContact CG1-O 3.48Å; M206-V208 HydrophobicContact CE-CG1 3.82Å; V208-I280 HydrophobicContact CB-CD1 4.32Å; V208-I280 HydrophobicContact CG1-CG2 4.15Å; V208-I294 HydrophobicContact CG1-CG2 3.71Å; V208-I294 HydrophobicContact CG2-CG2 4Å; V208-G295 VanDerWaalsContact CG2-O 3.25Å; V208-G295 WeakPolarHBondContact CG2-O 3.24Å; V208-G295 PolarHBondContact N-O 3.33Å; V208-S296 CarbonylContact O-C 3.42Å; V208-S296 WeakPolarHBondContact O-CA 3.4Å; V208-Y297 PolarHBondContact O-N 3.49Å; V208-F360 HydrophobicContact CB-CB 4.32Å; V208-F360 HydrophobicContact CB-CD1 4.44Å; V208-F360 HydrophobicContact CB-CD2 4.31Å; V208-F360 HydrophobicContact CB-CG 4.1Å; V208-F360 HydrophobicContact CG1-CB 4.33Å; V208-F360 HydrophobicContact CG1-CD1 3.58Å; V208-F360 HydrophobicContact CG1-CD2 3.81Å; V208-F360 HydrophobicContact CG1-CE1 3.71Å; V208-F360 HydrophobicContact CG1-CE2 3.97Å; V208-F360 HydrophobicContact CG1-CG 3.63Å; V208-F360 HydrophobicContact CG1-CZ 3.9Å; V208-F360 HydrophobicContact CG2-CB 4.13Å; V208-F360 HydrophobicContact CG2-CG 4.31Å; V208-Y362 HydrophobicContact CB-CE2 4.21Å; V208-Y362 HydrophobicContact CG2-CE2 4.02Å; V208-Y362 WeakPolarHBondContact CG2-OH 3.47Å; V208-Y362 PolarHBondContact O-OH 3.02Å |
| 209 | R | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | trans | -143.4 | 154.9 | 175.1 | -177.1 | 172.1 | -177.6 | 165.7 | 6.3 | 109 | K152 V153 E213 R214 Y297 Y362 | K152-R209 PolarHBondContact O-NH1 3.31Å; V153-R209 HydrophobicContact CG1-CB 4.19Å; V153-R209 HydrophobicContact CG2-CB 3.81Å; R209-E213 HydrophobicContact CG-CB 4.45Å; R209-E213 IonicContact CZ-OE2 3.82Å; R209-E213 IonicContact NE-OE2 3.29Å; R209-E213 PolarHBondContact NE-OE2 2.7Å; R209-E213 VanDerWaalsContact NE-OE2 3.16Å; R209-E213 IonicContact NH2-OE2 2.88Å; R209-E213 PolarHBondContact NH2-OE2 3.46Å; R209-R214 HydrophobicContact CB-CB 4.3Å; R209-R214 HydrophobicContact CG-CB 4.35Å; R209-Y297 HydrophobicContact CB-CG 4.37Å; R209-Y297 HydrophobicContact CG-CD1 4.23Å; R209-Y297 HydrophobicContact CG-CG 4.03Å; R209-Y362 VanDerWaalsContact C-CE2 3.5Å; R209-Y362 VanDerWaalsContact C-OH 3.31Å; R209-Y362 WeakPolarHBondContact CA-OH 3.37Å; R209-Y362 PolarHBondContact N-OH 2.96Å; R209-Y362 WeakPolarHBondContact O-CE2 3.28Å | ||
| 210 | E | 97.6 | Very high | 98.1 | Very high | 23 Ų | 23 | 22.9 Ų | 22.9 | 11% | 0.107 | 10% | 0.1 | C | C | . | . | trans | -46.6 | 124.3 | 170.1 | -162.8 | -72.3 | 130.4 | 0 | 0 | 110.4 | M212 E213 R214 E298 F357 Y362 | E210-M212 PolarHBondContact O-N 2.92Å; E210-M212 PolarHBondContact OE1-N 3.09Å; E210-M212 WeakPolarHBondContact OE2-CA 3.43Å; E210-M212 WeakPolarHBondContact OE2-CB 3.39Å; E210-M212 PolarHBondContact OE2-N 3.09Å; E210-E213 HydrophobicContact CB-CB 4.29Å; E210-E213 HydrophobicContact CB-CG 4.24Å; E210-E213 PolarHBondContact O-N 2.59Å; E210-E213 PolarHBondContact OE2-N 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.42Å; E210-R214 PolarHBondContact O-N 3.19Å; E210-E298 PolarHBondContact N-OE1 3.32Å; E210-F357 VanDerWaalsContact OE1-CE1 3.22Å; E210-F357 WeakPolarHBondContact OE1-CE1 3.12Å; E210-Y362 HydrophobicContact CB-CD1 3.89Å; E210-Y362 HydrophobicContact CB-CE1 3.97Å; E210-Y362 HydrophobicContact CG-CD1 4.05Å; E210-Y362 HydrophobicContact CG-CG 4.48Å; E210-Y362 VanDerWaalsContact N-CZ 3.27Å | ||
| 211 | P | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.5 | -39.3 | -168.4 | -29.7 | 36.4 | 0 | 0 | 0 | 114.9 | L215 D356 F357 Y362 | P211-L215 WeakPolarHBondContact O-CB 3.3Å; P211-L215 PolarHBondContact O-N 3.1Å; P211-D356 HydrophobicContact CB-CB 4.34Å; P211-D356 HydrophobicContact CG-CB 3.68Å; P211-F357 HydrophobicContact CB-CD2 4.37Å; P211-F357 HydrophobicContact CB-CE1 4.15Å; P211-F357 HydrophobicContact CB-CE2 3.85Å; P211-F357 HydrophobicContact CB-CZ 3.74Å; P211-F357 HydrophobicContact CG-CD1 3.87Å; P211-F357 HydrophobicContact CG-CD2 4.03Å; P211-F357 HydrophobicContact CG-CE1 3.79Å; P211-F357 HydrophobicContact CG-CE2 3.96Å; P211-F357 HydrophobicContact CG-CG 3.99Å; P211-F357 HydrophobicContact CG-CZ 3.85Å; P211-Y362 HydrophobicContact CG-CD2 4.48Å |
| 212 | M | 97.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 13 Ų | 13 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -76.3 | -36.2 | -178.3 | -62 | -61.4 | 95.5 | 0 | 0 | 112.5 | E210 R214 L215 L216 L334 L338 L349 L350 Y353 F357 P365 | E210-M212 PolarHBondContact O-N 2.92Å; E210-M212 PolarHBondContact OE1-N 3.09Å; E210-M212 WeakPolarHBondContact OE2-CA 3.43Å; E210-M212 WeakPolarHBondContact OE2-CB 3.39Å; E210-M212 PolarHBondContact OE2-N 3.09Å; M212-R214 VanDerWaalsContact C-N 3.34Å; M212-L215 HydrophobicContact CE-CD2 4.27Å; M212-L215 PolarHBondContact O-N 3.3Å; M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.34Å; M212-L216 PolarHBondContact O-N 2.93Å; M212-L334 HydrophobicContact CB-CD1 3.89Å; M212-L338 HydrophobicContact CB-CD1 4.2Å; M212-L338 HydrophobicContact CB-CD2 4.32Å; M212-L338 HydrophobicContact CG-CD1 4.34Å; M212-L338 HydrophobicContact CG-CD2 4.28Å; M212-L338 HydrophobicContact SD-CD2 4.34Å; M212-L349 HydrophobicContact SD-CD2 4.17Å; M212-L350 HydrophobicContact SD-CD2 4.15Å; M212-Y353 HydrophobicContact CE-CD2 4.01Å; M212-Y353 HydrophobicContact CE-CG 4.13Å; M212-F357 HydrophobicContact CE-CE2 4.18Å; M212-F357 HydrophobicContact CE-CZ 4.09Å; M212-F357 HydrophobicContact CG-CZ 4.02Å; M212-P365 HydrophobicContact CG-CG 4.21Å |
| 213 | E | 97.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 12.4 Ų | 12.4 | 17% | 0.168 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 170.5 | -75.2 | -160.8 | -175.4 | 0 | 0 | 111.4 | R209 E210 L215 L216 S217 V329 L334 | R209-E213 HydrophobicContact CG-CB 4.45Å; R209-E213 IonicContact CZ-OE2 3.82Å; R209-E213 IonicContact NE-OE2 3.29Å; R209-E213 PolarHBondContact NE-OE2 2.7Å; R209-E213 VanDerWaalsContact NE-OE2 3.16Å; R209-E213 IonicContact NH2-OE2 2.88Å; R209-E213 PolarHBondContact NH2-OE2 3.46Å; E210-E213 HydrophobicContact CB-CB 4.29Å; E210-E213 HydrophobicContact CB-CG 4.24Å; E210-E213 PolarHBondContact O-N 2.59Å; E210-E213 PolarHBondContact OE2-N 3.29Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.93Å; E213-L216 PolarHBondContact O-N 3Å; E213-S217 VanDerWaalsContact O-CB 3.3Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 3.1Å; E213-V329 HydrophobicContact CG-CG1 4.26Å; E213-L334 HydrophobicContact CG-CD2 3.71Å |
| 214 | R | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.7 | -170.4 | -167.8 | 146.7 | -94.5 | 5.3 | 110.2 | P151 K152 V153 R209 E210 M212 S217 A218 E275 H276 M278 | P151-R214 PolarHBondContact O-NE 3.17Å; K152-R214 HydrophobicContact CB-CG 3.82Å; V153-R214 HydrophobicContact CG2-CG 4.38Å; R209-R214 HydrophobicContact CB-CB 4.3Å; R209-R214 HydrophobicContact CG-CB 4.35Å; E210-R214 WeakPolarHBondContact O-CB 3.42Å; E210-R214 PolarHBondContact O-N 3.19Å; M212-R214 VanDerWaalsContact C-N 3.34Å; R214-S217 WeakPolarHBondContact O-CB 3.4Å; R214-S217 PolarHBondContact O-N 3.07Å; R214-A218 PolarHBondContact O-N 3.33Å; R214-E275 PolarHBondContact NH2-O 3.43Å; R214-H276 PolarHBondContact NH2-O 2.84Å; R214-M278 VanDerWaalsContact CZ-O 3.23Å; R214-M278 PolarHBondContact NH1-O 3.11Å; R214-M278 VanDerWaalsContact NH1-O 3.11Å; R214-M278 PolarHBondContact NH2-O 3.1Å |
| 215 | L | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 17.9 Ų | 17.9 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 179.9 | -171.3 | 61.3 | 0 | 0 | 0 | 112.3 | P211 M212 E213 S217 A218 Y219 F261 L265 W277 L349 Y353 | P211-L215 WeakPolarHBondContact O-CB 3.3Å; P211-L215 PolarHBondContact O-N 3.1Å; M212-L215 HydrophobicContact CE-CD2 4.27Å; M212-L215 PolarHBondContact O-N 3.3Å; E213-L215 VanDerWaalsContact C-N 3.3Å; E213-L215 PolarHBondContact O-N 2.93Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.77Å; L215-A218 WeakPolarHBondContact O-CB 3.34Å; L215-A218 PolarHBondContact O-N 3.33Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L215-Y219 PolarHBondContact O-N 3.22Å; L215-F261 HydrophobicContact CD1-CE1 3.85Å; L215-F261 HydrophobicContact CD1-CZ 4.04Å; L215-F261 HydrophobicContact CG-CE1 4.12Å; L215-L265 HydrophobicContact CD1-CD1 3.7Å; L215-L265 HydrophobicContact CD2-CD1 3.96Å; L215-L265 HydrophobicContact CG-CD1 4.31Å; L215-W277 HydrophobicContact CD1-CB 3.58Å; L215-L349 HydrophobicContact CD2-CD1 4.34Å; L215-L349 HydrophobicContact CD2-CD2 3.92Å; L215-Y353 WeakPolarHBondContact CD1-OH 3.44Å; L215-Y353 HydrophobicContact CD2-CE2 4.16Å |
| 216 | L | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66 | -36.4 | 177.2 | -178 | 55.9 | 0 | 0 | 0 | 111.7 | M212 E213 A218 Y219 R220 F258 V329 T333 L334 Y337 | M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.34Å; M212-L216 PolarHBondContact O-N 2.93Å; E213-L216 PolarHBondContact O-N 3Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.49Å; L216-Y219 HydrophobicContact CD1-CD1 4.04Å; L216-Y219 PolarHBondContact O-N 3.35Å; L216-R220 HydrophobicContact CD1-CG 4Å; L216-R220 HydrophobicContact CG-CG 4.43Å; L216-R220 WeakPolarHBondContact O-CB 3.46Å; L216-R220 WeakPolarHBondContact O-CG 3.5Å; L216-R220 PolarHBondContact O-N 3.46Å; L216-F258 HydrophobicContact CD1-CD2 4.31Å; L216-F258 HydrophobicContact CD1-CE2 4.21Å; L216-V329 HydrophobicContact CB-CG2 4.26Å; L216-V329 HydrophobicContact CD2-CG1 3.77Å; L216-V329 HydrophobicContact CD2-CG2 4.36Å; L216-V329 HydrophobicContact CG-CG1 4.33Å; L216-V329 HydrophobicContact CG-CG2 4.05Å; L216-T333 HydrophobicContact CD2-CG2 4.31Å; L216-L334 HydrophobicContact CB-CD1 4.43Å; L216-L334 HydrophobicContact CD2-CB 4.32Å; L216-L334 HydrophobicContact CD2-CD1 3.91Å; L216-Y337 HydrophobicContact CD1-CD1 4.04Å; L216-Y337 HydrophobicContact CD1-CD2 3.62Å; L216-Y337 HydrophobicContact CD1-CE1 4.34Å; L216-Y337 HydrophobicContact CD1-CE2 3.96Å; L216-Y337 HydrophobicContact CD1-CG 3.66Å; L216-Y337 HydrophobicContact CD2-CD2 3.72Å; L216-Y337 HydrophobicContact CD2-CE2 4.5Å; L216-Y337 HydrophobicContact CD2-CG 4.11Å; L216-Y337 HydrophobicContact CG-CD2 4.29Å |
| 217 | S | 97.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 4% | 0.042 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 172.6 | -170.9 | 0 | 0 | 0 | 0 | 112 | K152 E213 R214 L215 N221 Y326 | K152-S217 WeakPolarHBondContact CE-O 3.48Å; E213-S217 VanDerWaalsContact O-CB 3.3Å; E213-S217 WeakPolarHBondContact O-CB 3.37Å; E213-S217 PolarHBondContact O-N 3.1Å; R214-S217 WeakPolarHBondContact O-CB 3.4Å; R214-S217 PolarHBondContact O-N 3.07Å; L215-S217 VanDerWaalsContact C-N 3.32Å; L215-S217 PolarHBondContact O-N 2.77Å; S217-N221 WeakPolarHBondContact O-CB 3.32Å; S217-N221 PolarHBondContact O-N 3.05Å; S217-Y326 PolarHBondContact OG-OH 3.3Å |
| 218 | A | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -52.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K152 R214 L215 L216 N221 K222 H276 | K152-A218 HydrophobicContact CG-CB 4.18Å; R214-A218 PolarHBondContact O-N 3.33Å; L215-A218 WeakPolarHBondContact O-CB 3.34Å; L215-A218 PolarHBondContact O-N 3.33Å; L215-A218 VanDerWaalsContact O-N 3.15Å; L216-A218 VanDerWaalsContact C-N 3.31Å; L216-A218 PolarHBondContact O-N 3.49Å; A218-N221 PolarHBondContact O-N 2.85Å; A218-K222 WeakPolarHBondContact O-CB 3.3Å; A218-K222 VanDerWaalsContact O-CG 3.3Å; A218-K222 WeakPolarHBondContact O-CG 3.46Å; A218-K222 PolarHBondContact O-N 2.7Å; A218-H276 HydrophobicContact CB-CB 4.32Å; A218-H276 WeakPolarHBondContact CB-O 3.19Å |
| 219 | Y | 97.9 | Very high | 96.5 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 10% | 0.102 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55.4 | -56.1 | 179.1 | 169.1 | -105.2 | 0 | 0 | 0 | 112.1 | L215 L216 N221 K222 F223 V256 T257 F258 F261 Y337 | L215-Y219 PolarHBondContact O-N 3.22Å; L216-Y219 HydrophobicContact CD1-CD1 4.04Å; L216-Y219 PolarHBondContact O-N 3.35Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.08Å; Y219-K222 PolarHBondContact O-N 3.22Å; Y219-F223 HydrophobicContact CD2-CB 4.38Å; Y219-F223 AromaticContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CD2 3.45Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CE2 4.12Å; Y219-F223 HydrophobicContact CD2-CG 4.24Å; Y219-F223 HydrophobicContact CE2-CB 4.17Å; Y219-F223 AromaticContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CG 4.28Å; Y219-F223 HydrophobicContact CG-CD2 4.32Å; Y219-F223 WeakPolarHBondContact O-CD2 3.49Å; Y219-F223 PolarHBondContact O-N 2.86Å; Y219-V256 HydrophobicContact CE2-CG1 4.36Å; Y219-V256 WeakPolarHBondContact CE2-O 3.35Å; Y219-V256 PolarHBondContact OH-O 2.85Å; Y219-T257 VanDerWaalsContact OH-C 3.26Å; Y219-T257 WeakPolarHBondContact OH-CA 3.47Å; Y219-F258 HydrophobicContact CD1-CB 4.31Å; Y219-F258 AromaticContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CG 4.43Å; Y219-F258 HydrophobicContact CD2-CD2 4.19Å; Y219-F258 HydrophobicContact CE1-CB 3.86Å; Y219-F258 HydrophobicContact CE1-CD2 4.15Å; Y219-F258 HydrophobicContact CE1-CG 4.45Å; Y219-F258 HydrophobicContact CE2-CB 4.42Å; Y219-F258 AromaticContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CE2 4.44Å; Y219-F258 PolarHBondContact OH-N 3.34Å; Y219-F261 HydrophobicContact CD2-CB 3.7Å; Y219-F261 AromaticContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CE1 4.44Å; Y219-F261 AromaticContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CE2-CB 3.98Å; Y219-F261 HydrophobicContact CE2-CG 4.5Å; Y219-F261 HydrophobicContact CG-CD1 4.02Å; Y219-Y337 AromaticContact CE1-CE1 3.94Å; Y219-Y337 HydrophobicContact CE1-CE1 3.94Å |
| 220 | R | 96.7 | Very high | 96.4 | Very high | 71 Ų | 71 | 32.8 Ų | 32.8 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -59.8 | -40.6 | -176.2 | -70.3 | 177.3 | 68 | -158.9 | 2.3 | 112.4 | L216 G224 P328 | L216-R220 HydrophobicContact CD1-CG 4Å; L216-R220 HydrophobicContact CG-CG 4.43Å; L216-R220 WeakPolarHBondContact O-CB 3.46Å; L216-R220 WeakPolarHBondContact O-CG 3.5Å; L216-R220 PolarHBondContact O-N 3.46Å; R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.3Å; R220-P328 PolarHBondContact NH1-O 3.04Å |
| 221 | N | 94.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -71.1 | -49.9 | 176.8 | 173.6 | -118.8 | 0 | 0 | 0 | 111.7 | K152 S217 A218 Y219 F223 E225 I226 | K152-N221 PolarHBondContact NZ-OD1 2.98Å; S217-N221 WeakPolarHBondContact O-CB 3.32Å; S217-N221 PolarHBondContact O-N 3.05Å; A218-N221 PolarHBondContact O-N 2.85Å; Y219-N221 VanDerWaalsContact C-N 3.31Å; Y219-N221 PolarHBondContact O-N 3.08Å; N221-F223 PolarHBondContact O-N 3.32Å; N221-E225 PolarHBondContact ND2-OE2 2.82Å; N221-E225 WeakPolarHBondContact O-CB 3.41Å; N221-E225 PolarHBondContact O-N 3.23Å; N221-I226 WeakPolarHBondContact O-CG1 3.25Å; N221-I226 PolarHBondContact O-N 2.82Å |
| 222 | K | 96.5 | Very high | 96.2 | Very high | 17 Ų | 17 | 44.2 Ų | 44.2 | 7% | 0.074 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -72 | -32.2 | -171.9 | -64.3 | -46.8 | -172.1 | 170.5 | 0 | 113.9 | A218 Y219 I226 Y229 H276 W277 | A218-K222 WeakPolarHBondContact O-CB 3.3Å; A218-K222 VanDerWaalsContact O-CG 3.3Å; A218-K222 WeakPolarHBondContact O-CG 3.46Å; A218-K222 PolarHBondContact O-N 2.7Å; Y219-K222 PolarHBondContact O-N 3.22Å; K222-I226 HydrophobicContact CD-CB 4.36Å; K222-I226 HydrophobicContact CD-CG1 4.12Å; K222-Y229 HydrophobicContact CB-CD1 3.93Å; K222-Y229 HydrophobicContact CB-CG 4.08Å; K222-Y229 HydrophobicContact CD-CD1 3.66Å; K222-Y229 HydrophobicContact CD-CD2 3.84Å; K222-Y229 HydrophobicContact CD-CE1 3.89Å; K222-Y229 HydrophobicContact CD-CE2 4.06Å; K222-Y229 HydrophobicContact CD-CG 3.64Å; K222-Y229 HydrophobicContact CG-CD1 3.75Å; K222-Y229 HydrophobicContact CG-CE1 4.13Å; K222-Y229 HydrophobicContact CG-CG 4.11Å; K222-Y229 WeakPolarHBondContact O-CB 3.49Å; K222-H276 WeakPolarHBondContact CE-CD2 3.47Å; K222-H276 VanDerWaalsContact CE-CG 3.41Å; K222-H276 WeakPolarHBondContact CE-NE2 3.41Å; K222-H276 PolarHBondContact NZ-CD2 2.75Å; K222-H276 PolarHBondContact NZ-CE1 2.04Å; K222-H276 PolarHBondContact NZ-NE2 3.39Å; K222-W277 HydrophobicContact CG-CZ3 4.45Å |
| 223 | F | 96.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -105.3 | -9.5 | -179.8 | -58.3 | -74.4 | 0 | 0 | 0 | 113.5 | Y219 N221 Q230 I237 V256 F261 | Y219-F223 HydrophobicContact CD2-CB 4.38Å; Y219-F223 AromaticContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CD2 3.45Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.45Å; Y219-F223 HydrophobicContact CD2-CE2 4.12Å; Y219-F223 HydrophobicContact CD2-CG 4.24Å; Y219-F223 HydrophobicContact CE2-CB 4.17Å; Y219-F223 AromaticContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CD2 3.92Å; Y219-F223 HydrophobicContact CE2-CG 4.28Å; Y219-F223 HydrophobicContact CG-CD2 4.32Å; Y219-F223 WeakPolarHBondContact O-CD2 3.49Å; Y219-F223 PolarHBondContact O-N 2.86Å; N221-F223 PolarHBondContact O-N 3.32Å; F223-Q230 PolarHBondContact O-NE2 2.75Å; F223-I237 HydrophobicContact CE1-CD1 3.96Å; F223-I237 HydrophobicContact CZ-CD1 3.67Å; F223-V256 HydrophobicContact CD1-CB 4.01Å; F223-V256 HydrophobicContact CD1-CG1 4.37Å; F223-V256 HydrophobicContact CD1-CG2 3.97Å; F223-V256 HydrophobicContact CE1-CG2 4.26Å; F223-V256 HydrophobicContact CG-CB 4.29Å; F223-F261 HydrophobicContact CD2-CD2 4.45Å; F223-F261 AromaticContact CE2-CD2 3.48Å; F223-F261 HydrophobicContact CE2-CD2 3.48Å; F223-F261 VanDerWaalsContact CE2-CD2 3.48Å; F223-F261 AromaticContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CG 4.09Å; F223-F261 HydrophobicContact CE2-CZ 4.5Å; F223-F261 AromaticContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CE2 4.28Å |
| 224 | G | 92.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 43.9 Ų | 43.9 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -104.7 | -21.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R220 | R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.3Å |
| 225 | E | 91.2 | Very high | 96.1 | Very high | 103 Ų | 103 | 44.2 Ų | 44.2 | 48% | 0.481 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | -22.8 | -169.6 | -58.7 | 169 | -170 | 0 | 0 | 114.2 | N221 | N221-E225 PolarHBondContact ND2-OE2 2.82Å; N221-E225 WeakPolarHBondContact O-CB 3.41Å; N221-E225 PolarHBondContact O-N 3.23Å |
| 226 | I | 93.8 | Very high | 96.1 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 27% | 0.267 | 24% | 0.236 | S | C | . | . | trans | -112.6 | 95.2 | -170.1 | -49.5 | -61 | 0 | 0 | 0 | 111.6 | N221 K222 S228 Y229 Q230 | N221-I226 WeakPolarHBondContact O-CG1 3.25Å; N221-I226 PolarHBondContact O-N 2.82Å; K222-I226 HydrophobicContact CD-CB 4.36Å; K222-I226 HydrophobicContact CD-CG1 4.12Å; I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 WeakPolarHBondContact CG2-OG 3.3Å; I226-S228 PolarHBondContact O-N 2.8Å; I226-S228 VanDerWaalsContact O-N 3.16Å; I226-Y229 HydrophobicContact CB-CD2 4.3Å; I226-Y229 HydrophobicContact CG2-CD2 3.57Å; I226-Y229 HydrophobicContact CG2-CE2 4.37Å; I226-Y229 HydrophobicContact CG2-CG 4.35Å; I226-Y229 WeakPolarHBondContact O-CB 3.37Å; I226-Y229 PolarHBondContact O-N 3.16Å; I226-Q230 PolarHBondContact O-N 3.4Å | ||
| 227 | E | 95.3 | Very high | 96.1 | Very high | 116 Ų | 116 | 46.9 Ų | 46.9 | 54% | 0.542 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.3 | -38.8 | -177 | -166.6 | -170.9 | 174.6 | 0 | 0 | 114 | Y229 Q230 K231 | E227-Y229 VanDerWaalsContact C-N 3.25Å; E227-Y229 PolarHBondContact O-N 3.47Å; E227-Q230 WeakPolarHBondContact O-CB 3.25Å; E227-Q230 PolarHBondContact O-N 3.02Å; E227-K231 HydrophobicContact CG-CD 4.16Å; E227-K231 HydrophobicContact CG-CG 4.48Å; E227-K231 PolarHBondContact O-N 2.85Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.41Å |
| 228 | S | 95.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 57% | 0.573 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65 | -29 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | I226 K232 | I226-S228 VanDerWaalsContact C-N 3.27Å; I226-S228 WeakPolarHBondContact CG2-OG 3.3Å; I226-S228 PolarHBondContact O-N 2.8Å; I226-S228 VanDerWaalsContact O-N 3.16Å; S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 2.89Å |
| 229 | Y | 97.1 | Very high | 96.1 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80 | -38 | 174.5 | -85.3 | -105.5 | 0 | 0 | 0 | 111.5 | K222 I226 E227 K232 Y233 G234 H276 W277 | K222-Y229 HydrophobicContact CB-CD1 3.93Å; K222-Y229 HydrophobicContact CB-CG 4.08Å; K222-Y229 HydrophobicContact CD-CD1 3.66Å; K222-Y229 HydrophobicContact CD-CD2 3.84Å; K222-Y229 HydrophobicContact CD-CE1 3.89Å; K222-Y229 HydrophobicContact CD-CE2 4.06Å; K222-Y229 HydrophobicContact CD-CG 3.64Å; K222-Y229 HydrophobicContact CG-CD1 3.75Å; K222-Y229 HydrophobicContact CG-CE1 4.13Å; K222-Y229 HydrophobicContact CG-CG 4.11Å; K222-Y229 WeakPolarHBondContact O-CB 3.49Å; I226-Y229 HydrophobicContact CB-CD2 4.3Å; I226-Y229 HydrophobicContact CG2-CD2 3.57Å; I226-Y229 HydrophobicContact CG2-CE2 4.37Å; I226-Y229 HydrophobicContact CG2-CG 4.35Å; I226-Y229 WeakPolarHBondContact O-CB 3.37Å; I226-Y229 PolarHBondContact O-N 3.16Å; E227-Y229 VanDerWaalsContact C-N 3.25Å; E227-Y229 PolarHBondContact O-N 3.47Å; Y229-K232 PolarHBondContact O-N 2.98Å; Y229-Y233 AromaticContact CD1-CD2 3.64Å; Y229-Y233 HydrophobicContact CD1-CD2 3.64Å; Y229-Y233 AromaticContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CE1-CD2 4.1Å; Y229-Y233 AromaticContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CG-CD2 4.37Å; Y229-Y233 PolarHBondContact O-N 3.39Å; Y229-G234 PolarHBondContact O-N 2.94Å; Y229-G234 VanDerWaalsContact O-N 3.11Å; Y229-H276 AromaticContact CE1-CD2 3.8Å; Y229-H276 AromaticContact CZ-CD2 3.64Å; Y229-H276 AromaticContact CZ-NE2 3.88Å; Y229-H276 PolarHBondContact OH-CD2 3.05Å; Y229-H276 PolarHBondContact OH-NE2 2.92Å; Y229-W277 HydrophobicContact CD1-CH2 4.32Å; Y229-W277 HydrophobicContact CD1-CZ3 4.17Å; Y229-W277 HydrophobicContact CE1-CH2 4.36Å; Y229-W277 HydrophobicContact CE1-CZ3 4.18Å |
| 230 | Q | 96.8 | Very high | 96 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 12% | 0.121 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -58.6 | -52.1 | 173.3 | -66.5 | 168.7 | -22.9 | 0 | 0 | 110.8 | F223 I226 E227 K232 G234 A235 T252 D254 | F223-Q230 PolarHBondContact O-NE2 2.75Å; I226-Q230 PolarHBondContact O-N 3.4Å; E227-Q230 WeakPolarHBondContact O-CB 3.25Å; E227-Q230 PolarHBondContact O-N 3.02Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.33Å; Q230-G234 CarbonylContact O-C 3.46Å; Q230-G234 WeakPolarHBondContact O-CA 3.3Å; Q230-G234 PolarHBondContact O-N 2.88Å; Q230-A235 PolarHBondContact O-N 3.43Å; Q230-T252 CarbonylContact C-O 3.55Å; Q230-D254 HydrophobicContact CB-CB 4.4Å; Q230-D254 HydrophobicContact CG-CB 4.23Å |
| 231 | K | 95.9 | Very high | 96 | Very high | 131 Ų | 131 | 54.2 Ų | 54.2 | 57% | 0.57 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -63.3 | -33.3 | 179.5 | -74.5 | 177.8 | 168.7 | 170.7 | 0 | 113.9 | E227 A235 | E227-K231 HydrophobicContact CG-CD 4.16Å; E227-K231 HydrophobicContact CG-CG 4.48Å; E227-K231 PolarHBondContact O-N 2.85Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.14Å; E227-K231 PolarHBondContact OE1-NZ 3.41Å; K231-A235 WeakPolarHBondContact O-CB 3.36Å |
| 232 | K | 95.8 | Very high | 96 | Very high | 132 Ų | 132 | 55.8 Ų | 55.8 | 57% | 0.574 | 27% | 0.27 | S | S | * | . | I | π-helix | trans | -85.6 | -70.6 | -179.8 | -177 | 178.8 | 178.5 | -177 | 0 | 111.7 | S228 Y229 Q230 E236 | S228-K232 VanDerWaalsContact O-CB 3.32Å; S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 2.89Å; Y229-K232 PolarHBondContact O-N 2.98Å; Q230-K232 VanDerWaalsContact C-N 3.31Å; Q230-K232 PolarHBondContact O-N 3.33Å; K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 PolarHBondContact O-N 3.48Å |
| 233 | Y | 97.8 | Very high | 95.9 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -81.5 | -38.1 | -174 | -67.9 | -77.4 | 0 | 0 | 0 | 111.3 | Y229 E236 I237 Y264 N274 W277 | Y229-Y233 AromaticContact CD1-CD2 3.64Å; Y229-Y233 HydrophobicContact CD1-CD2 3.64Å; Y229-Y233 AromaticContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CD1-CE2 3.93Å; Y229-Y233 HydrophobicContact CE1-CD2 4.1Å; Y229-Y233 AromaticContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CE1-CE2 3.89Å; Y229-Y233 HydrophobicContact CG-CD2 4.37Å; Y229-Y233 PolarHBondContact O-N 3.39Å; Y233-E236 WeakPolarHBondContact O-CB 3.4Å; Y233-E236 PolarHBondContact O-N 3.15Å; Y233-I237 WeakPolarHBondContact O-CB 3.44Å; Y233-I237 WeakPolarHBondContact O-CD1 3.18Å; Y233-I237 WeakPolarHBondContact O-CG1 3.12Å; Y233-I237 PolarHBondContact O-N 2.95Å; Y233-Y264 HydrophobicContact CD1-CE1 4.34Å; Y233-Y264 WeakPolarHBondContact CD1-OH 3.49Å; Y233-N274 PolarHBondContact OH-ND2 3.24Å; Y233-N274 VanDerWaalsContact OH-ND2 3.12Å; Y233-W277 AromaticContact CD1-CH2 3.89Å; Y233-W277 HydrophobicContact CD1-CH2 3.89Å; Y233-W277 AromaticContact CD1-CZ2 3.85Å; Y233-W277 HydrophobicContact CD1-CZ2 3.85Å; Y233-W277 AromaticContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CE1-CH2 4.07Å; Y233-W277 AromaticContact CE1-CZ2 3.85Å; Y233-W277 HydrophobicContact CE1-CZ2 3.85Å; Y233-W277 AromaticContact CE2-CH2 4Å; Y233-W277 HydrophobicContact CE2-CH2 4Å; Y233-W277 AromaticContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CZ2 4.21Å |
| 234 | G | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -68 | -43.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y229 Q230 E236 I237 V238 G253 V256 | Y229-G234 PolarHBondContact O-N 2.94Å; Y229-G234 VanDerWaalsContact O-N 3.11Å; Q230-G234 CarbonylContact O-C 3.46Å; Q230-G234 WeakPolarHBondContact O-CA 3.3Å; Q230-G234 PolarHBondContact O-N 2.88Å; G234-E236 VanDerWaalsContact C-N 3.31Å; G234-E236 PolarHBondContact O-N 3.26Å; G234-I237 PolarHBondContact O-N 2.91Å; G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.29Å; G234-G253 VanDerWaalsContact C-CA 3.42Å; G234-G253 WeakPolarHBondContact CA-O 3.48Å; G234-V256 VanDerWaalsContact CA-CG2 3.41Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å |
| 235 | A | 96.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 71.2 Ų | 71.2 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q230 K231 K239 V251 | Q230-A235 PolarHBondContact O-N 3.43Å; K231-A235 WeakPolarHBondContact O-CB 3.36Å; A235-K239 WeakPolarHBondContact O-CB 3.38Å; A235-K239 WeakPolarHBondContact O-CG 3.35Å; A235-K239 PolarHBondContact O-N 3.11Å; A235-V251 HydrophobicContact CB-CG1 3.92Å |
| 236 | E | 97 | Very high | 95.7 | Very high | 57 Ų | 57 | 69.8 Ų | 69.8 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.6 | -49 | 173.1 | 177.7 | 180 | -170.6 | 0 | 0 | 112 | K232 Y233 G234 V238 K239 R240 | K232-E236 WeakPolarHBondContact O-CB 3.34Å; K232-E236 PolarHBondContact O-N 3.48Å; Y233-E236 WeakPolarHBondContact O-CB 3.4Å; Y233-E236 PolarHBondContact O-N 3.15Å; G234-E236 VanDerWaalsContact C-N 3.31Å; G234-E236 PolarHBondContact O-N 3.26Å; E236-V238 PolarHBondContact O-N 2.82Å; E236-K239 PolarHBondContact O-N 3.42Å; E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.42Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.65Å; E236-R240 IonicContact OE1-NE 3.51Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.45Å; E236-R240 PolarHBondContact OE1-NH2 3.2Å |
| 237 | I | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 178.8 | -69.3 | 166.5 | 0 | 0 | 0 | 110.3 | F223 Y233 G234 K239 R240 Y241 V256 E260 F261 Y264 | F223-I237 HydrophobicContact CE1-CD1 3.96Å; F223-I237 HydrophobicContact CZ-CD1 3.67Å; Y233-I237 WeakPolarHBondContact O-CB 3.44Å; Y233-I237 WeakPolarHBondContact O-CD1 3.18Å; Y233-I237 WeakPolarHBondContact O-CG1 3.12Å; Y233-I237 PolarHBondContact O-N 2.95Å; G234-I237 PolarHBondContact O-N 2.91Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.48Å; I237-R240 PolarHBondContact O-N 3.26Å; I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 4.34Å; I237-Y241 WeakPolarHBondContact O-CD2 3.38Å; I237-Y241 PolarHBondContact O-N 3.07Å; I237-V256 HydrophobicContact CB-CG1 4.44Å; I237-V256 HydrophobicContact CB-CG2 4.4Å; I237-V256 HydrophobicContact CD1-CG1 4.2Å; I237-V256 HydrophobicContact CG2-CG1 3.81Å; I237-V256 HydrophobicContact CG2-CG2 4.43Å; I237-E260 HydrophobicContact CG2-CB 3.72Å; I237-F261 HydrophobicContact CD1-CD2 4.25Å; I237-Y264 HydrophobicContact CD1-CD1 3.95Å; I237-Y264 HydrophobicContact CD1-CD2 4.47Å; I237-Y264 HydrophobicContact CD1-CG 3.9Å; I237-Y264 HydrophobicContact CG1-CD1 4.1Å; I237-Y264 HydrophobicContact CG1-CD2 3.72Å; I237-Y264 HydrophobicContact CG1-CE2 4.33Å; I237-Y264 HydrophobicContact CG1-CG 3.58Å |
| 238 | V | 97.8 | Very high | 95.3 | Very high | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 178.7 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | G234 E236 R240 R242 R245 V251 V256 | G234-V238 WeakPolarHBondContact O-CG2 3.48Å; G234-V238 PolarHBondContact O-N 3.29Å; E236-V238 PolarHBondContact O-N 2.82Å; V238-R240 VanDerWaalsContact C-N 3.32Å; V238-R240 PolarHBondContact O-N 2.73Å; V238-R242 HydrophobicContact CG1-CB 4.44Å; V238-R242 HydrophobicContact CG1-CG 4.24Å; V238-R242 WeakPolarHBondContact O-CB 3.03Å; V238-R242 PolarHBondContact O-N 2.59Å; V238-R245 HydrophobicContact CG1-CB 4.29Å; V238-R245 HydrophobicContact CG1-CG 4.42Å; V238-V251 HydrophobicContact CB-CG1 3.71Å; V238-V251 HydrophobicContact CG1-CG1 3.55Å; V238-V251 HydrophobicContact CG1-CG2 4.1Å; V238-V251 HydrophobicContact CG2-CG1 4.43Å; V238-V256 HydrophobicContact CG2-CG2 4.02Å |
| 239 | K | 96.4 | Very high | 95 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.5 | -35.9 | 178.5 | -75.2 | 174.2 | -179.8 | -179.1 | 0 | 112.9 | A235 E236 I237 R245 D248 V251 | A235-K239 WeakPolarHBondContact O-CB 3.38Å; A235-K239 WeakPolarHBondContact O-CG 3.35Å; A235-K239 PolarHBondContact O-N 3.11Å; E236-K239 PolarHBondContact O-N 3.42Å; I237-K239 VanDerWaalsContact C-N 3.34Å; I237-K239 PolarHBondContact O-N 3.48Å; K239-R245 WeakPolarHBondContact CG-O 3.39Å; K239-D248 WeakPolarHBondContact CE-O 3.38Å; K239-V251 HydrophobicContact CG-CG2 4.48Å |
| 240 | R | 96.4 | Very high | 94.6 | Very high | 120 Ų | 120 | 76.1 Ų | 76.1 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.3 | -43.8 | 179.2 | -74.5 | -178.5 | -178 | -162.1 | 2.2 | 112.5 | E236 I237 V238 E268 | E236-R240 WeakPolarHBondContact O-CB 3.45Å; E236-R240 WeakPolarHBondContact O-CG 3.42Å; E236-R240 PolarHBondContact O-N 3.47Å; E236-R240 IonicContact OE1-CZ 3.65Å; E236-R240 IonicContact OE1-NE 3.51Å; E236-R240 PolarHBondContact OE1-NE 3.05Å; E236-R240 IonicContact OE1-NH2 3.45Å; E236-R240 PolarHBondContact OE1-NH2 3.2Å; I237-R240 PolarHBondContact O-N 3.26Å; V238-R240 VanDerWaalsContact C-N 3.32Å; V238-R240 PolarHBondContact O-N 2.73Å; R240-E268 IonicContact CZ-OE1 3.22Å; R240-E268 IonicContact NH1-OE1 3.12Å; R240-E268 PolarHBondContact NH1-OE1 3.22Å; R240-E268 IonicContact NH2-OE1 3.11Å |
| 241 | Y | 96.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 75.9 Ų | 75.9 | 23% | 0.231 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -108.9 | -14.6 | -166.2 | -57.1 | -69.3 | 0 | 0 | 0 | 115.6 | I237 R263 Y264 D267 | I237-Y241 HydrophobicContact CG2-CD2 3.9Å; I237-Y241 HydrophobicContact CG2-CE2 4.34Å; I237-Y241 WeakPolarHBondContact O-CD2 3.38Å; I237-Y241 PolarHBondContact O-N 3.07Å; Y241-R263 HydrophobicContact CD1-CB 4.29Å; Y241-R263 HydrophobicContact CE1-CB 4.09Å; Y241-Y264 HydrophobicContact CE2-CD2 4.35Å; Y241-Y264 WeakPolarHBondContact OH-CA 3.16Å; Y241-D267 VanDerWaalsContact CE1-OD2 3.32Å; Y241-D267 WeakPolarHBondContact CE1-OD2 3.27Å; Y241-D267 VanDerWaalsContact CZ-OD2 3.32Å; Y241-D267 PolarHBondContact OH-OD2 3.26Å |
| 242 | R | 96.4 | Very high | 94.1 | Very high | 56 Ų | 56 | 73.3 Ų | 73.3 | 21% | 0.211 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -96.5 | 125.8 | 175.2 | -58.7 | -164.9 | -171.4 | 152.1 | -1.2 | 111.4 | V238 G244 R245 D255 E260 | V238-R242 HydrophobicContact CG1-CB 4.44Å; V238-R242 HydrophobicContact CG1-CG 4.24Å; V238-R242 WeakPolarHBondContact O-CB 3.03Å; V238-R242 PolarHBondContact O-N 2.59Å; R242-G244 PolarHBondContact O-N 2.94Å; R242-R245 HydrophobicContact CB-CB 4.23Å; R242-R245 HydrophobicContact CB-CG 3.9Å; R242-R245 PolarHBondContact O-N 2.89Å; R242-D255 IonicContact CZ-OD1 3.44Å; R242-D255 IonicContact CZ-OD2 3.56Å; R242-D255 IonicContact NH1-OD1 3.59Å; R242-D255 PolarHBondContact NH1-OD1 2.8Å; R242-D255 IonicContact NH1-OD2 3.71Å; R242-D255 PolarHBondContact NH1-OD2 2.69Å; R242-D255 PolarHBondContact NH2-O 2.82Å; R242-D255 IonicContact NH2-OD1 3.5Å; R242-D255 PolarHBondContact NH2-OD1 3Å; R242-D255 IonicContact NH2-OD2 2.72Å; R242-E260 VanDerWaalsContact CG-OE1 3.23Å; R242-E260 WeakPolarHBondContact CG-OE1 3.49Å; R242-E260 IonicContact CZ-OE1 3.1Å; R242-E260 IonicContact CZ-OE2 2.8Å; R242-E260 IonicContact NE-OE1 3.29Å; R242-E260 PolarHBondContact NE-OE1 3.32Å; R242-E260 IonicContact NE-OE2 3.33Å; R242-E260 IonicContact NH2-OE1 2.59Å; R242-E260 IonicContact NH2-OE2 3.16Å; R242-E260 PolarHBondContact NH2-OE2 3.38Å |
| 243 | K | 93.6 | Very high | 94 | Very high | 213 Ų | 213 | 67 Ų | 67 | 93% | 0.926 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 135.9 | 177.8 | -66.5 | -175.3 | 179.9 | -178.7 | 0 | 110.7 | R245 | K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 3.5Å |
| 244 | G | 92.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 69.8 Ų | 69.8 | 86% | 0.856 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.8 | -0.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R242 | R242-G244 PolarHBondContact O-N 2.94Š|
| 245 | R | 92.9 | Very high | 93.7 | Very high | 109 Ų | 109 | 74 Ų | 74 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | trans | -99.3 | -7.8 | -176.5 | -63.9 | -63.4 | -170 | 144.9 | 6.5 | 115.1 | V238 K239 R242 K243 K247 D248 V251 | V238-R245 HydrophobicContact CG1-CB 4.29Å; V238-R245 HydrophobicContact CG1-CG 4.42Å; K239-R245 WeakPolarHBondContact CG-O 3.39Å; R242-R245 HydrophobicContact CB-CB 4.23Å; R242-R245 HydrophobicContact CB-CG 3.9Å; R242-R245 PolarHBondContact O-N 2.89Å; K243-R245 VanDerWaalsContact C-N 3.28Å; K243-R245 PolarHBondContact O-N 3.5Å; R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.23Å; R245-K247 VanDerWaalsContact O-N 3.1Å; R245-D248 VanDerWaalsContact CD-OD2 3.3Å; R245-D248 WeakPolarHBondContact CD-OD2 3.42Å; R245-D248 IonicContact CZ-OD2 2.61Å; R245-D248 IonicContact NE-OD2 2.9Å; R245-D248 IonicContact NH1-OD2 3.61Å; R245-D248 PolarHBondContact NH1-OD2 2.86Å; R245-D248 WeakPolarHBondContact O-CB 3.38Å; R245-D248 PolarHBondContact O-N 3.18Å; R245-V251 HydrophobicContact CB-CG2 4.39Å | ||
| 246 | A | 89.8 | Confident | 93.7 | Very high | 72 Ų | 72 | 73.8 Ų | 73.8 | 60% | 0.595 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -36.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 247 | K | 90.6 | Very high | 93.8 | Very high | 207 Ų | 207 | 74.2 Ų | 74.2 | 90% | 0.9 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | 8.3 | 179.4 | -63.5 | -176.6 | 179.5 | -179.2 | 0 | 113.5 | R245 A249 | R245-K247 VanDerWaalsContact C-N 3.28Å; R245-K247 PolarHBondContact O-N 3.23Å; R245-K247 VanDerWaalsContact O-N 3.1Å; K247-A249 PolarHBondContact O-N 3.44Å |
| 248 | D | 91.1 | Very high | 93.8 | Very high | 40 Ų | 40 | 74.9 Ų | 74.9 | 21% | 0.214 | 41% | 0.406 | C | S | . | . | trans | -77.3 | 114.2 | -176.7 | -176.3 | -0.6 | 0 | 0 | 0 | 110.3 | K239 R245 S250 V251 | K239-D248 WeakPolarHBondContact CE-O 3.38Å; R245-D248 VanDerWaalsContact CD-OD2 3.3Å; R245-D248 WeakPolarHBondContact CD-OD2 3.42Å; R245-D248 IonicContact CZ-OD2 2.61Å; R245-D248 IonicContact NE-OD2 2.9Å; R245-D248 IonicContact NH1-OD2 3.61Å; R245-D248 PolarHBondContact NH1-OD2 2.86Å; R245-D248 WeakPolarHBondContact O-CB 3.38Å; R245-D248 PolarHBondContact O-N 3.18Å; D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 VanDerWaalsContact CG-OG 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.4Å; D248-S250 PolarHBondContact OD1-N 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.48Å; D248-S250 PolarHBondContact OD2-OG 2.98Å; D248-V251 HydrophobicContact CB-CG2 3.85Å | ||
| 249 | A | 88.5 | Confident | 93.8 | Very high | 97 Ų | 97 | 75.3 Ų | 75.3 | 80% | 0.802 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -14.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | K247 V251 | K247-A249 PolarHBondContact O-N 3.44Å; A249-V251 VanDerWaalsContact C-N 3.31Å |
| 250 | S | 90.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 56% | 0.559 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6.7 | 179.8 | 72.4 | 0 | 0 | 0 | 0 | 114 | D248 T252 | D248-S250 VanDerWaalsContact C-N 3.27Å; D248-S250 VanDerWaalsContact CG-OG 3.23Å; D248-S250 WeakPolarHBondContact OD1-CB 3.4Å; D248-S250 PolarHBondContact OD1-N 3.34Å; D248-S250 PolarHBondContact OD1-OG 3.48Å; D248-S250 PolarHBondContact OD2-OG 2.98Å; S250-T252 PolarHBondContact O-N 2.91Å; S250-T252 VanDerWaalsContact O-N 3.17Å |
| 251 | V | 92.4 | Very high | 94 | Very high | 20 Ų | 20 | 66.8 Ų | 66.8 | 12% | 0.121 | 38% | 0.378 | C | S | . | . | trans | -66.1 | 114.7 | -179 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | A235 V238 K239 R245 D248 A249 | A235-V251 HydrophobicContact CB-CG1 3.92Å; V238-V251 HydrophobicContact CB-CG1 3.71Å; V238-V251 HydrophobicContact CG1-CG1 3.55Å; V238-V251 HydrophobicContact CG1-CG2 4.1Å; V238-V251 HydrophobicContact CG2-CG1 4.43Å; K239-V251 HydrophobicContact CG-CG2 4.48Å; R245-V251 HydrophobicContact CB-CG2 4.39Å; D248-V251 HydrophobicContact CB-CG2 3.85Å; A249-V251 VanDerWaalsContact C-N 3.31Å | ||
| 252 | T | 88.9 | Confident | 94.1 | Very high | 78 Ų | 78 | 64 Ų | 64 | 48% | 0.479 | 37% | 0.367 | S | S | . | . | trans | -87.8 | -31.3 | 178.7 | 45.3 | 0 | 0 | 0 | 0 | 113.3 | Q230 S250 D254 | Q230-T252 CarbonylContact C-O 3.55Å; S250-T252 PolarHBondContact O-N 2.91Å; S250-T252 VanDerWaalsContact O-N 3.17Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact CB-OD1 3.45Å; T252-D254 PolarHBondContact OG1-OD1 3.11Å | ||
| 253 | G | 93.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 37% | 0.374 | C | S | . | . | trans | 78 | 14 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G234 V256 | G234-G253 VanDerWaalsContact C-CA 3.42Å; G234-G253 WeakPolarHBondContact CA-O 3.48Å; G253-V256 WeakPolarHBondContact O-CG2 3.08Å | ||
| 254 | D | 93.6 | Very high | 94.4 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -86.6 | -7.2 | 178.2 | 59.6 | -26.9 | 0 | 0 | 0 | 113.6 | Q230 T252 | Q230-D254 HydrophobicContact CB-CB 4.4Å; Q230-D254 HydrophobicContact CG-CB 4.23Å; T252-D254 VanDerWaalsContact C-N 3.34Å; T252-D254 WeakPolarHBondContact CB-OD1 3.45Å; T252-D254 PolarHBondContact OG1-OD1 3.11Å | ||
| 255 | D | 95.7 | Very high | 94.7 | Very high | 88 Ų | 88 | 52.1 Ų | 52.1 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | trans | -112 | 20.6 | -177.7 | 77.4 | -20.5 | 0 | 0 | 0 | 113.6 | R242 T257 | R242-D255 IonicContact CZ-OD1 3.44Å; R242-D255 IonicContact CZ-OD2 3.56Å; R242-D255 IonicContact NH1-OD1 3.59Å; R242-D255 PolarHBondContact NH1-OD1 2.8Å; R242-D255 IonicContact NH1-OD2 3.71Å; R242-D255 PolarHBondContact NH1-OD2 2.69Å; R242-D255 PolarHBondContact NH2-O 2.82Å; R242-D255 IonicContact NH2-OD1 3.5Å; R242-D255 PolarHBondContact NH2-OD1 3Å; R242-D255 IonicContact NH2-OD2 2.72Å; D255-T257 PolarHBondContact O-N 3.17Å | ||
| 256 | V | 97.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | trans | -62.1 | 124.5 | 179.6 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | Y219 F223 G234 I237 V238 G253 E260 F261 | Y219-V256 HydrophobicContact CE2-CG1 4.36Å; Y219-V256 WeakPolarHBondContact CE2-O 3.35Å; Y219-V256 PolarHBondContact OH-O 2.85Å; F223-V256 HydrophobicContact CD1-CB 4.01Å; F223-V256 HydrophobicContact CD1-CG1 4.37Å; F223-V256 HydrophobicContact CD1-CG2 3.97Å; F223-V256 HydrophobicContact CE1-CG2 4.26Å; F223-V256 HydrophobicContact CG-CB 4.29Å; G234-V256 VanDerWaalsContact CA-CG2 3.41Å; G234-V256 WeakPolarHBondContact O-CG2 3.43Å; I237-V256 HydrophobicContact CB-CG1 4.44Å; I237-V256 HydrophobicContact CB-CG2 4.4Å; I237-V256 HydrophobicContact CD1-CG1 4.2Å; I237-V256 HydrophobicContact CG2-CG1 3.81Å; I237-V256 HydrophobicContact CG2-CG2 4.43Å; V238-V256 HydrophobicContact CG2-CG2 4.02Å; G253-V256 WeakPolarHBondContact O-CG2 3.08Å; V256-E260 HydrophobicContact CG1-CB 4.26Å; V256-F261 HydrophobicContact CG1-CB 4.23Å | ||
| 257 | T | 97.5 | Very high | 95.2 | Very high | 66 Ų | 66 | 50 Ų | 50 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | trans | -78.1 | 156.7 | 175.3 | 65 | 0 | 0 | 0 | 0 | 111.7 | Y219 D255 G259 E260 F261 | Y219-T257 VanDerWaalsContact OH-C 3.26Å; Y219-T257 WeakPolarHBondContact OH-CA 3.47Å; D255-T257 PolarHBondContact O-N 3.17Å; T257-G259 PolarHBondContact O-N 2.98Å; T257-E260 WeakPolarHBondContact CB-OE2 3.16Å; T257-E260 PolarHBondContact N-OE2 2.6Å; T257-E260 PolarHBondContact O-N 3.31Å; T257-E260 VanDerWaalsContact O-N 3.17Å; T257-E260 WeakPolarHBondContact OG1-CB 3.33Å; T257-E260 VanDerWaalsContact OG1-CD 3.24Å; T257-E260 WeakPolarHBondContact OG1-CG 3.34Å; T257-E260 PolarHBondContact OG1-N 2.88Å; T257-E260 PolarHBondContact OG1-OE2 3.44Å; T257-F261 PolarHBondContact O-N 2.82Å | ||
| 258 | F | 97.8 | Very high | 95.5 | Very high | 13 Ų | 13 | 41.9 Ų | 41.9 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -37 | 176.6 | -176.5 | -118.3 | 0 | 0 | 0 | 111.9 | L216 Y219 F261 V262 Y337 L341 | L216-F258 HydrophobicContact CD1-CD2 4.31Å; L216-F258 HydrophobicContact CD1-CE2 4.21Å; Y219-F258 HydrophobicContact CD1-CB 4.31Å; Y219-F258 AromaticContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CD2 3.72Å; Y219-F258 HydrophobicContact CD1-CG 4.43Å; Y219-F258 HydrophobicContact CD2-CD2 4.19Å; Y219-F258 HydrophobicContact CE1-CB 3.86Å; Y219-F258 HydrophobicContact CE1-CD2 4.15Å; Y219-F258 HydrophobicContact CE1-CG 4.45Å; Y219-F258 HydrophobicContact CE2-CB 4.42Å; Y219-F258 AromaticContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CD2 3.75Å; Y219-F258 HydrophobicContact CG-CE2 4.44Å; Y219-F258 PolarHBondContact OH-N 3.34Å; F258-F261 HydrophobicContact CD2-CD1 4.15Å; F258-F261 HydrophobicContact CE2-CD1 4.18Å; F258-F261 PolarHBondContact O-N 3.4Å; F258-V262 HydrophobicContact CD1-CG2 4.34Å; F258-V262 HydrophobicContact CD2-CG2 4.48Å; F258-V262 HydrophobicContact CE1-CG2 3.99Å; F258-V262 HydrophobicContact CE2-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 3.88Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.88Å; F258-Y337 HydrophobicContact CB-CD1 3.56Å; F258-Y337 HydrophobicContact CB-CE1 3.75Å; F258-Y337 AromaticContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CG 4.36Å; F258-Y337 HydrophobicContact CD2-CD1 4.37Å; F258-Y337 AromaticContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CE1 4.24Å; F258-L341 HydrophobicContact CD1-CD1 4.23Å; F258-L341 HydrophobicContact CE1-CD1 4.45Å; F258-L341 HydrophobicContact CE1-CD2 4.27Å |
| 259 | G | 98.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | T257 V262 R263 | T257-G259 PolarHBondContact O-N 2.98Å; G259-V262 PolarHBondContact O-N 2.85Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.41Å |
| 260 | E | 98.1 | Very high | 96 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 173.4 | -72.3 | 165.2 | 143.9 | 0 | 0 | 111.8 | I237 R242 V256 T257 R263 Y264 | I237-E260 HydrophobicContact CG2-CB 3.72Å; R242-E260 VanDerWaalsContact CG-OE1 3.23Å; R242-E260 WeakPolarHBondContact CG-OE1 3.49Å; R242-E260 IonicContact CZ-OE1 3.1Å; R242-E260 IonicContact CZ-OE2 2.8Å; R242-E260 IonicContact NE-OE1 3.29Å; R242-E260 PolarHBondContact NE-OE1 3.32Å; R242-E260 IonicContact NE-OE2 3.33Å; R242-E260 IonicContact NH2-OE1 2.59Å; R242-E260 IonicContact NH2-OE2 3.16Å; R242-E260 PolarHBondContact NH2-OE2 3.38Å; V256-E260 HydrophobicContact CG1-CB 4.26Å; T257-E260 WeakPolarHBondContact CB-OE2 3.16Å; T257-E260 PolarHBondContact N-OE2 2.6Å; T257-E260 PolarHBondContact O-N 3.31Å; T257-E260 VanDerWaalsContact O-N 3.17Å; T257-E260 WeakPolarHBondContact OG1-CB 3.33Å; T257-E260 VanDerWaalsContact OG1-CD 3.24Å; T257-E260 WeakPolarHBondContact OG1-CG 3.34Å; T257-E260 PolarHBondContact OG1-N 2.88Å; T257-E260 PolarHBondContact OG1-OE2 3.44Å; E260-R263 PolarHBondContact O-N 3.26Å; E260-Y264 PolarHBondContact O-N 3.12Å |
| 261 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 172.7 | 174.4 | -118.7 | 0 | 0 | 0 | 111.6 | L215 Y219 F223 I237 V256 T257 F258 R263 Y264 L265 W277 | L215-F261 HydrophobicContact CD1-CE1 3.85Å; L215-F261 HydrophobicContact CD1-CZ 4.04Å; L215-F261 HydrophobicContact CG-CE1 4.12Å; Y219-F261 HydrophobicContact CD2-CB 3.7Å; Y219-F261 AromaticContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CD1 3.67Å; Y219-F261 HydrophobicContact CD2-CE1 4.44Å; Y219-F261 AromaticContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CD2-CG 3.73Å; Y219-F261 HydrophobicContact CE2-CB 3.98Å; Y219-F261 HydrophobicContact CE2-CG 4.5Å; Y219-F261 HydrophobicContact CG-CD1 4.02Å; F223-F261 HydrophobicContact CD2-CD2 4.45Å; F223-F261 AromaticContact CE2-CD2 3.48Å; F223-F261 HydrophobicContact CE2-CD2 3.48Å; F223-F261 VanDerWaalsContact CE2-CD2 3.48Å; F223-F261 AromaticContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CE2 3.73Å; F223-F261 HydrophobicContact CE2-CG 4.09Å; F223-F261 HydrophobicContact CE2-CZ 4.5Å; F223-F261 AromaticContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CD2 3.96Å; F223-F261 HydrophobicContact CZ-CE2 4.28Å; I237-F261 HydrophobicContact CD1-CD2 4.25Å; V256-F261 HydrophobicContact CG1-CB 4.23Å; T257-F261 PolarHBondContact O-N 2.82Å; F258-F261 HydrophobicContact CD2-CD1 4.15Å; F258-F261 HydrophobicContact CE2-CD1 4.18Å; F258-F261 PolarHBondContact O-N 3.4Å; F261-R263 PolarHBondContact O-N 3.21Å; F261-Y264 VanDerWaalsContact O-CB 3.32Å; F261-Y264 WeakPolarHBondContact O-CB 3.25Å; F261-Y264 PolarHBondContact O-N 2.93Å; F261-L265 HydrophobicContact CD1-CD1 4.29Å; F261-L265 HydrophobicContact CD2-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.75Å; F261-L265 HydrophobicContact CE1-CG 4.44Å; F261-L265 HydrophobicContact CE2-CD1 4.24Å; F261-L265 HydrophobicContact CE2-CD2 3.84Å; F261-L265 HydrophobicContact CE2-CG 4.11Å; F261-L265 HydrophobicContact CZ-CD1 3.73Å; F261-L265 HydrophobicContact CZ-CD2 3.99Å; F261-L265 HydrophobicContact CZ-CG 4.11Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.05Å; F261-W277 AromaticContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CE3 4.01Å; F261-W277 HydrophobicContact CE2-CG 4.32Å; F261-W277 HydrophobicContact CE2-CZ3 4.44Å; F261-W277 HydrophobicContact CZ-CB 3.96Å; F261-W277 HydrophobicContact CZ-CD2 4.06Å; F261-W277 HydrophobicContact CZ-CE3 4.08Å; F261-W277 HydrophobicContact CZ-CG 4.07Å |
| 262 | V | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.4 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | F258 G259 Y264 L265 L266 L341 L345 L349 | F258-V262 HydrophobicContact CD1-CG2 4.34Å; F258-V262 HydrophobicContact CD2-CG2 4.48Å; F258-V262 HydrophobicContact CE1-CG2 3.99Å; F258-V262 HydrophobicContact CE2-CG2 4.14Å; F258-V262 HydrophobicContact CZ-CG2 3.88Å; F258-V262 WeakPolarHBondContact O-CG2 3.39Å; F258-V262 PolarHBondContact O-N 2.88Å; G259-V262 PolarHBondContact O-N 2.85Å; V262-Y264 VanDerWaalsContact C-N 3.27Å; V262-Y264 PolarHBondContact O-N 3.24Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 2.92Å; V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.45Å; V262-L341 HydrophobicContact CB-CD1 4.21Å; V262-L341 HydrophobicContact CG1-CD1 4.48Å; V262-L341 HydrophobicContact CG1-CD2 4.22Å; V262-L341 HydrophobicContact CG2-CD1 4.1Å; V262-L341 HydrophobicContact CG2-CD2 4.06Å; V262-L345 HydrophobicContact CG1-CB 3.98Å; V262-L349 HydrophobicContact CG1-CB 4.27Å; V262-L349 HydrophobicContact CG1-CD1 4.25Å; V262-L349 HydrophobicContact CG1-CD2 3.99Å; V262-L349 HydrophobicContact CG1-CG 4.41Å; V262-L349 HydrophobicContact CG2-CD2 3.98Å |
| 263 | R | 98.1 | Very high | 96.8 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.6 | -42.6 | 175.9 | -73.4 | -177.2 | -164.7 | 106.7 | -0.2 | 112.1 | Y241 G259 E260 F261 L265 L266 D267 L345 | Y241-R263 HydrophobicContact CD1-CB 4.29Å; Y241-R263 HydrophobicContact CE1-CB 4.09Å; G259-R263 WeakPolarHBondContact O-CG 3.33Å; G259-R263 PolarHBondContact O-N 3.41Å; E260-R263 PolarHBondContact O-N 3.26Å; F261-R263 PolarHBondContact O-N 3.21Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.3Å; R263-L266 WeakPolarHBondContact O-CB 3.36Å; R263-L266 PolarHBondContact O-N 2.77Å; R263-L266 VanDerWaalsContact O-N 3.14Å; R263-D267 PolarHBondContact O-N 3.19Å; R263-L345 HydrophobicContact CG-CD1 3.86Å; R263-L345 HydrophobicContact CG-CD2 3.74Å; R263-L345 HydrophobicContact CG-CG 4.49Å |
| 264 | Y | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 173.2 | 176.8 | -105.3 | 0 | 0 | 0 | 112.1 | Y233 I237 Y241 E260 F261 V262 L266 D267 E268 W277 | Y233-Y264 HydrophobicContact CD1-CE1 4.34Å; Y233-Y264 WeakPolarHBondContact CD1-OH 3.49Å; I237-Y264 HydrophobicContact CD1-CD1 3.95Å; I237-Y264 HydrophobicContact CD1-CD2 4.47Å; I237-Y264 HydrophobicContact CD1-CG 3.9Å; I237-Y264 HydrophobicContact CG1-CD1 4.1Å; I237-Y264 HydrophobicContact CG1-CD2 3.72Å; I237-Y264 HydrophobicContact CG1-CE2 4.33Å; I237-Y264 HydrophobicContact CG1-CG 3.58Å; Y241-Y264 HydrophobicContact CE2-CD2 4.35Å; Y241-Y264 WeakPolarHBondContact OH-CA 3.16Å; E260-Y264 PolarHBondContact O-N 3.12Å; F261-Y264 VanDerWaalsContact O-CB 3.32Å; F261-Y264 WeakPolarHBondContact O-CB 3.25Å; F261-Y264 PolarHBondContact O-N 2.93Å; V262-Y264 VanDerWaalsContact C-N 3.27Å; V262-Y264 PolarHBondContact O-N 3.24Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.75Å; Y264-D267 PolarHBondContact O-N 2.82Å; Y264-E268 HydrophobicContact CD1-CG 4.29Å; Y264-E268 HydrophobicContact CD2-CG 4.33Å; Y264-E268 HydrophobicContact CE1-CG 3.92Å; Y264-E268 HydrophobicContact CE2-CG 3.96Å; Y264-E268 HydrophobicContact CG-CG 4.48Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.47Å; Y264-E268 PolarHBondContact O-N 2.99Å; Y264-E268 VanDerWaalsContact O-N 3.16Å; Y264-W277 AromaticContact CE1-CZ2 3.99Å; Y264-W277 HydrophobicContact CE1-CZ2 3.99Å |
| 265 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -34.1 | 177.3 | -58.2 | 179.8 | 0 | 0 | 0 | 113.4 | L215 F261 V262 R263 D267 E268 M273 W277 L349 K352 | L215-L265 HydrophobicContact CD1-CD1 3.7Å; L215-L265 HydrophobicContact CD2-CD1 3.96Å; L215-L265 HydrophobicContact CG-CD1 4.31Å; F261-L265 HydrophobicContact CD1-CD1 4.29Å; F261-L265 HydrophobicContact CD2-CG 4.47Å; F261-L265 HydrophobicContact CE1-CD1 3.75Å; F261-L265 HydrophobicContact CE1-CG 4.44Å; F261-L265 HydrophobicContact CE2-CD1 4.24Å; F261-L265 HydrophobicContact CE2-CD2 3.84Å; F261-L265 HydrophobicContact CE2-CG 4.11Å; F261-L265 HydrophobicContact CZ-CD1 3.73Å; F261-L265 HydrophobicContact CZ-CD2 3.99Å; F261-L265 HydrophobicContact CZ-CG 4.11Å; F261-L265 WeakPolarHBondContact O-CG 3.48Å; F261-L265 PolarHBondContact O-N 3.05Å; V262-L265 WeakPolarHBondContact O-CB 3.45Å; V262-L265 PolarHBondContact O-N 2.92Å; R263-L265 VanDerWaalsContact C-N 3.33Å; R263-L265 PolarHBondContact O-N 3.3Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 3.14Å; L265-E268 PolarHBondContact O-N 3.22Å; L265-M273 HydrophobicContact CB-CE 4.16Å; L265-M273 HydrophobicContact CD2-CE 4.47Å; L265-M273 WeakPolarHBondContact O-CE 3.32Å; L265-W277 HydrophobicContact CD2-CB 4.19Å; L265-W277 HydrophobicContact CD2-CD2 4.27Å; L265-W277 HydrophobicContact CD2-CG 3.64Å; L265-L349 HydrophobicContact CB-CD1 4.34Å; L265-L349 HydrophobicContact CD1-CD1 4.25Å; L265-K352 WeakPolarHBondContact O-CE 3.3Å; L265-K352 PolarHBondContact O-NZ 3.37Å; L265-K352 VanDerWaalsContact O-NZ 3.14Å |
| 266 | L | 97.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 15% | 0.147 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 176.7 | -65 | -177.7 | 0 | 0 | 0 | 111.6 | V262 R263 Y264 L345 E348 L349 K352 | V262-L266 HydrophobicContact CG1-CD1 4.39Å; V262-L266 HydrophobicContact CG1-CG 4.38Å; V262-L266 WeakPolarHBondContact O-CG 3.47Å; V262-L266 PolarHBondContact O-N 3.45Å; R263-L266 WeakPolarHBondContact O-CB 3.36Å; R263-L266 PolarHBondContact O-N 2.77Å; R263-L266 VanDerWaalsContact O-N 3.14Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.75Å; L266-L345 HydrophobicContact CD1-CB 4.42Å; L266-L345 HydrophobicContact CD1-CD2 3.63Å; L266-E348 HydrophobicContact CD1-CB 3.92Å; L266-E348 HydrophobicContact CD2-CB 3.8Å; L266-L349 HydrophobicContact CD2-CB 4.16Å; L266-L349 HydrophobicContact CD2-CD1 4.35Å; L266-K352 VanDerWaalsContact CA-CE 3.46Å; L266-K352 VanDerWaalsContact O-CE 3.26Å; L266-K352 WeakPolarHBondContact O-CE 3.34Å; L266-K352 PolarHBondContact O-NZ 3.12Å |
| 267 | D | 97.3 | Very high | 97.3 | Very high | 109 Ų | 109 | 40.7 Ų | 40.7 | 58% | 0.583 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -78.3 | -22.7 | -179.4 | -66 | -16.3 | 0 | 0 | 0 | 113.5 | Y241 R263 Y264 L265 | Y241-D267 VanDerWaalsContact CE1-OD2 3.32Å; Y241-D267 WeakPolarHBondContact CE1-OD2 3.27Å; Y241-D267 VanDerWaalsContact CZ-OD2 3.32Å; Y241-D267 PolarHBondContact OH-OD2 3.26Å; R263-D267 PolarHBondContact O-N 3.19Å; Y264-D267 PolarHBondContact O-N 2.82Å; L265-D267 VanDerWaalsContact C-N 3.29Å; L265-D267 PolarHBondContact O-N 3.14Å |
| 268 | E | 96.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 37.9 Ų | 37.9 | 17% | 0.168 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -80.4 | 140 | -178.8 | -66.9 | -66.9 | 123.9 | 0 | 0 | 112.6 | R240 Y264 L265 V270 M273 K352 | R240-E268 IonicContact CZ-OE1 3.22Å; R240-E268 IonicContact NH1-OE1 3.12Å; R240-E268 PolarHBondContact NH1-OE1 3.22Å; R240-E268 IonicContact NH2-OE1 3.11Å; Y264-E268 HydrophobicContact CD1-CG 4.29Å; Y264-E268 HydrophobicContact CD2-CG 4.33Å; Y264-E268 HydrophobicContact CE1-CG 3.92Å; Y264-E268 HydrophobicContact CE2-CG 3.96Å; Y264-E268 HydrophobicContact CG-CG 4.48Å; Y264-E268 VanDerWaalsContact O-CG 3.31Å; Y264-E268 WeakPolarHBondContact O-CG 3.47Å; Y264-E268 PolarHBondContact O-N 2.99Å; Y264-E268 VanDerWaalsContact O-N 3.16Å; L265-E268 PolarHBondContact O-N 3.22Å; E268-V270 PolarHBondContact O-N 2.93Å; E268-M273 HydrophobicContact CB-CE 4.06Å; E268-M273 HydrophobicContact CB-CG 4.1Å; E268-K352 PolarHBondContact O-NZ 3.19Å |
| 269 | D | 95.6 | Very high | 97.4 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 44% | 0.439 | 18% | 0.176 | S | C | . | . | trans | -66.5 | 127.2 | 166.6 | 176.5 | 5.8 | 0 | 0 | 0 | 109.5 | E271 R272 M273 | D269-E271 PolarHBondContact O-N 3.22Å; D269-E271 PolarHBondContact OD1-N 3.4Å; D269-E271 VanDerWaalsContact OD1-N 3.09Å; D269-R272 HydrophobicContact CB-CB 4.34Å; D269-R272 HydrophobicContact CB-CG 4.35Å; D269-R272 CarbonylContact O-C 2.99Å; D269-R272 PolarHBondContact O-N 3.5Å; D269-M273 WeakPolarHBondContact O-CG 3.37Å; D269-M273 PolarHBondContact O-N 3.02Å; D269-M273 VanDerWaalsContact O-N 3.09Å | ||
| 270 | V | 95 | Very high | 97.4 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -55.7 | -36.4 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | E268 R272 M273 M278 P279 N282 K352 | E268-V270 PolarHBondContact O-N 2.93Å; V270-R272 PolarHBondContact O-N 3.06Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; V270-M278 WeakPolarHBondContact O-CE 3.23Å; V270-P279 HydrophobicContact CG1-CG 3.61Å; V270-N282 HydrophobicContact CG1-CB 4.49Å; V270-N282 WeakPolarHBondContact CG1-OD1 3.48Å; V270-K352 HydrophobicContact CG2-CB 4.36Å; V270-K352 HydrophobicContact CG2-CD 4.1Å; V270-K352 HydrophobicContact CG2-CG 4.25Å |
| 271 | E | 94.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 37 Ų | 37 | 27% | 0.266 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -72.5 | -15.3 | 179.8 | -59.1 | -162.2 | 160.9 | 0 | 0 | 113.7 | L128 Q129 D269 M278 | L128-E271 HydrophobicContact CD2-CB 3.79Å; Q129-E271 WeakPolarHBondContact CG-OE1 3.44Å; Q129-E271 PolarHBondContact NE2-OE1 3.34Å; D269-E271 PolarHBondContact O-N 3.22Å; D269-E271 PolarHBondContact OD1-N 3.4Å; D269-E271 VanDerWaalsContact OD1-N 3.09Å; E271-M278 WeakPolarHBondContact O-CE 3.22Å |
| 272 | R | 95.2 | Very high | 97.4 | Very high | 187 Ų | 187 | 38 Ų | 38 | 71% | 0.706 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -110.5 | -3.7 | -178.3 | -62 | -175.9 | 175.5 | -159.8 | -1.6 | 113.7 | L128 D269 V270 | L128-R272 HydrophobicContact CD2-CG 4.23Å; D269-R272 HydrophobicContact CB-CB 4.34Å; D269-R272 HydrophobicContact CB-CG 4.35Å; D269-R272 CarbonylContact O-C 2.99Å; D269-R272 PolarHBondContact O-N 3.5Å; V270-R272 PolarHBondContact O-N 3.06Å |
| 273 | M | 97.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 38 Ų | 38 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -56.4 | 151.7 | 175.8 | -74.9 | -173.9 | 177.4 | 0 | 0 | 111.8 | L265 E268 D269 V270 M278 K352 | L265-M273 HydrophobicContact CB-CE 4.16Å; L265-M273 HydrophobicContact CD2-CE 4.47Å; L265-M273 WeakPolarHBondContact O-CE 3.32Å; E268-M273 HydrophobicContact CB-CE 4.06Å; E268-M273 HydrophobicContact CB-CG 4.1Å; D269-M273 WeakPolarHBondContact O-CG 3.37Å; D269-M273 PolarHBondContact O-N 3.02Å; D269-M273 VanDerWaalsContact O-N 3.09Å; V270-M273 HydrophobicContact CG2-CE 4.23Å; M273-M278 HydrophobicContact CB-CB 4.04Å; M273-M278 HydrophobicContact CB-CE 4.42Å; M273-M278 VanDerWaalsContact O-CE 3.25Å; M273-M278 WeakPolarHBondContact O-CE 3.44Å; M273-K352 HydrophobicContact CE-CD 3.8Å |
| 274 | N | 98.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | trans | -63.3 | 143.5 | 170 | -176.5 | -80.7 | 0 | 0 | 0 | 110.3 | Y233 H276 W277 M278 | Y233-N274 PolarHBondContact OH-ND2 3.24Å; Y233-N274 VanDerWaalsContact OH-ND2 3.12Å; N274-H276 PolarHBondContact O-N 2.72Å; N274-H276 WeakPolarHBondContact OD1-CB 3.43Å; N274-H276 PolarHBondContact OD1-CD2 3.05Å; N274-H276 PolarHBondContact OD1-N 2.97Å; N274-W277 HydrophobicContact CB-CD2 3.85Å; N274-W277 HydrophobicContact CB-CE3 4.17Å; N274-W277 HydrophobicContact CB-CH2 3.56Å; N274-W277 HydrophobicContact CB-CZ2 3.2Å; N274-W277 HydrophobicContact CB-CZ3 4.03Å; N274-W277 PolarHBondContact O-N 3.21Å; N274-M278 WeakPolarHBondContact O-CB 3.43Å; N274-M278 PolarHBondContact O-N 3.44Å | ||
| 275 | E | 97.8 | Very high | 97.4 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -29.2 | -178.2 | 65.6 | -178.2 | 138.3 | 0 | 0 | 114.1 | H136 Y149 P151 R214 W277 L283 | H136-E275 IonicContact NE2-OE2 3.32Å; H136-E275 PolarHBondContact NE2-OE2 3.04Å; Y149-E275 WeakPolarHBondContact CE2-OE2 3.2Å; Y149-E275 PolarHBondContact OH-OE2 3.01Å; P151-E275 HydrophobicContact CG-CB 4.22Å; P151-E275 HydrophobicContact CG-CG 4.06Å; R214-E275 PolarHBondContact NH2-O 3.43Å; E275-W277 VanDerWaalsContact C-N 3.32Å; E275-W277 PolarHBondContact O-N 3.48Å; E275-L283 HydrophobicContact CB-CD2 4.11Å |
| 276 | H | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 13% | 0.13 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23.9 | -177.5 | -69.6 | -63.7 | 0 | 0 | 0 | 114.3 | P151 R214 A218 K222 Y229 N274 | P151-H276 VanDerWaalsContact CB-ND1 3.33Å; P151-H276 WeakPolarHBondContact CB-ND1 3.44Å; R214-H276 PolarHBondContact NH2-O 2.84Å; A218-H276 HydrophobicContact CB-CB 4.32Å; A218-H276 WeakPolarHBondContact CB-O 3.19Å; K222-H276 WeakPolarHBondContact CE-CD2 3.47Å; K222-H276 VanDerWaalsContact CE-CG 3.41Å; K222-H276 WeakPolarHBondContact CE-NE2 3.41Å; K222-H276 PolarHBondContact NZ-CD2 2.75Å; K222-H276 PolarHBondContact NZ-CE1 2.04Å; K222-H276 PolarHBondContact NZ-NE2 3.39Å; Y229-H276 AromaticContact CE1-CD2 3.8Å; Y229-H276 AromaticContact CZ-CD2 3.64Å; Y229-H276 AromaticContact CZ-NE2 3.88Å; Y229-H276 PolarHBondContact OH-CD2 3.05Å; Y229-H276 PolarHBondContact OH-NE2 2.92Å; N274-H276 PolarHBondContact O-N 2.72Å; N274-H276 WeakPolarHBondContact OD1-CB 3.43Å; N274-H276 PolarHBondContact OD1-CD2 3.05Å; N274-H276 PolarHBondContact OD1-N 2.97Å |
| 277 | W | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -6.1 | 177.9 | 52.2 | 80.3 | 0 | 0 | 0 | 113.6 | L215 K222 Y229 Y233 F261 Y264 L265 N274 E275 Y353 | L215-W277 HydrophobicContact CD1-CB 3.58Å; K222-W277 HydrophobicContact CG-CZ3 4.45Å; Y229-W277 HydrophobicContact CD1-CH2 4.32Å; Y229-W277 HydrophobicContact CD1-CZ3 4.17Å; Y229-W277 HydrophobicContact CE1-CH2 4.36Å; Y229-W277 HydrophobicContact CE1-CZ3 4.18Å; Y233-W277 AromaticContact CD1-CH2 3.89Å; Y233-W277 HydrophobicContact CD1-CH2 3.89Å; Y233-W277 AromaticContact CD1-CZ2 3.85Å; Y233-W277 HydrophobicContact CD1-CZ2 3.85Å; Y233-W277 AromaticContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CD2-CH2 3.82Å; Y233-W277 HydrophobicContact CE1-CH2 4.07Å; Y233-W277 AromaticContact CE1-CZ2 3.85Å; Y233-W277 HydrophobicContact CE1-CZ2 3.85Å; Y233-W277 AromaticContact CE2-CH2 4Å; Y233-W277 HydrophobicContact CE2-CH2 4Å; Y233-W277 AromaticContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CH2 3.75Å; Y233-W277 HydrophobicContact CG-CZ2 4.21Å; F261-W277 AromaticContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CD2 3.97Å; F261-W277 HydrophobicContact CE2-CE3 4.01Å; F261-W277 HydrophobicContact CE2-CG 4.32Å; F261-W277 HydrophobicContact CE2-CZ3 4.44Å; F261-W277 HydrophobicContact CZ-CB 3.96Å; F261-W277 HydrophobicContact CZ-CD2 4.06Å; F261-W277 HydrophobicContact CZ-CE3 4.08Å; F261-W277 HydrophobicContact CZ-CG 4.07Å; Y264-W277 AromaticContact CE1-CZ2 3.99Å; Y264-W277 HydrophobicContact CE1-CZ2 3.99Å; L265-W277 HydrophobicContact CD2-CB 4.19Å; L265-W277 HydrophobicContact CD2-CD2 4.27Å; L265-W277 HydrophobicContact CD2-CG 3.64Å; N274-W277 HydrophobicContact CB-CD2 3.85Å; N274-W277 HydrophobicContact CB-CE3 4.17Å; N274-W277 HydrophobicContact CB-CH2 3.56Å; N274-W277 HydrophobicContact CB-CZ2 3.2Å; N274-W277 HydrophobicContact CB-CZ3 4.03Å; N274-W277 PolarHBondContact O-N 3.21Å; E275-W277 VanDerWaalsContact C-N 3.32Å; E275-W277 PolarHBondContact O-N 3.48Å; W277-Y353 VanDerWaalsContact O-CE1 3.26Å; W277-Y353 WeakPolarHBondContact O-CE1 3.15Å; W277-Y353 PolarHBondContact O-OH 3.5Å |
| 278 | M | 98.6 | Very high | 97.4 | Very high | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.034 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -54.3 | 141.3 | 167.8 | -178.3 | 178.1 | -79.8 | 0 | 0 | 110.8 | T132 R214 V270 E271 M273 N274 N282 L283 | T132-M278 HydrophobicContact CG2-CE 4.42Å; T132-M278 HydrophobicContact CG2-SD 3.79Å; R214-M278 VanDerWaalsContact CZ-O 3.23Å; R214-M278 PolarHBondContact NH1-O 3.11Å; R214-M278 VanDerWaalsContact NH1-O 3.11Å; R214-M278 PolarHBondContact NH2-O 3.1Å; V270-M278 WeakPolarHBondContact O-CE 3.23Å; E271-M278 WeakPolarHBondContact O-CE 3.22Å; M273-M278 HydrophobicContact CB-CB 4.04Å; M273-M278 HydrophobicContact CB-CE 4.42Å; M273-M278 VanDerWaalsContact O-CE 3.25Å; M273-M278 WeakPolarHBondContact O-CE 3.44Å; N274-M278 WeakPolarHBondContact O-CB 3.43Å; N274-M278 PolarHBondContact O-N 3.44Å; M278-N282 HydrophobicContact CG-CB 3.65Å; M278-N282 HydrophobicContact SD-CB 3.81Å; M278-L283 HydrophobicContact CB-CD2 4.1Å; M278-L283 HydrophobicContact CB-CG 4.21Å; M278-L283 HydrophobicContact CG-CD2 4.09Å; M278-L283 HydrophobicContact CG-CG 4.05Å; M278-L283 HydrophobicContact SD-CD2 3.53Å; M278-L283 VanDerWaalsContact SD-CD2 3.53Å; M278-L283 HydrophobicContact SD-CG 3.95Å |
| 279 | P | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | trans | -57.3 | 147.5 | 174.2 | -24.3 | 34 | 0 | 0 | 0 | 112.6 | V270 Y281 N282 L283 K352 Y353 D356 | V270-P279 HydrophobicContact CG1-CG 3.61Å; P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 3.17Å; P279-N282 PolarHBondContact O-N 3.3Å; P279-N282 VanDerWaalsContact O-N 3.09Å; P279-L283 WeakPolarHBondContact O-CG 3.09Å; P279-L283 PolarHBondContact O-N 2.95Å; P279-K352 WeakPolarHBondContact CG-O 3.23Å; P279-Y353 HydrophobicContact CB-CD1 3.92Å; P279-Y353 HydrophobicContact CB-CE1 4.22Å; P279-Y353 HydrophobicContact CG-CD1 3.77Å; P279-Y353 HydrophobicContact CG-CE1 3.78Å; P279-Y353 HydrophobicContact CG-CG 4.44Å; P279-D356 VanDerWaalsContact CA-OD2 3.3Å; P279-D356 WeakPolarHBondContact CA-OD2 3.39Å; P279-D356 WeakPolarHBondContact CB-OD2 3.43Å | ||
| 280 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.8 | -39.7 | -178.5 | -54.9 | 179 | 0 | 0 | 0 | 110.9 | V150 M206 V208 N282 L283 C284 D356 F360 | V150-I280 HydrophobicContact CG1-CB 4.42Å; V150-I280 HydrophobicContact CG1-CD1 4.23Å; V150-I280 HydrophobicContact CG1-CG1 3.79Å; V150-I280 HydrophobicContact CG1-CG2 4.15Å; V150-I280 HydrophobicContact CG2-CG2 3.78Å; M206-I280 HydrophobicContact CE-CG2 3.45Å; M206-I280 VanDerWaalsContact CE-CG2 3.45Å; V208-I280 HydrophobicContact CB-CD1 4.32Å; V208-I280 HydrophobicContact CG1-CG2 4.15Å; I280-N282 VanDerWaalsContact C-N 3.28Å; I280-N282 PolarHBondContact O-N 3.16Å; I280-L283 PolarHBondContact O-N 3.23Å; I280-C284 PolarHBondContact O-N 3.05Å; I280-D356 VanDerWaalsContact N-CG 3.28Å; I280-D356 PolarHBondContact N-OD1 3.26Å; I280-D356 VanDerWaalsContact N-OD1 3.08Å; I280-D356 PolarHBondContact N-OD2 2.91Å; I280-F360 HydrophobicContact CB-CE2 3.82Å; I280-F360 HydrophobicContact CG2-CE2 3.65Å; I280-F360 HydrophobicContact CG2-CZ 3.96Å |
| 281 | Y | 98.1 | Very high | 97.7 | Very high | 21 Ų | 21 | 26.6 Ų | 26.6 | 8% | 0.082 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -53.1 | -46.3 | 172.7 | 172.3 | -96.5 | 0 | 0 | 0 | 111.7 | M118 P279 L283 Q285 P286 L355 D356 L359 | M118-Y281 HydrophobicContact CE-CE2 3.83Å; M118-Y281 VanDerWaalsContact CE-OH 3.28Å; M118-Y281 WeakPolarHBondContact CE-OH 3.22Å; P279-Y281 VanDerWaalsContact C-N 3.29Å; P279-Y281 PolarHBondContact O-N 3.17Å; Y281-L283 PolarHBondContact O-N 2.9Å; Y281-Q285 VanDerWaalsContact O-CA 3.27Å; Y281-Q285 WeakPolarHBondContact O-CA 3.39Å; Y281-Q285 PolarHBondContact O-N 3.33Å; Y281-P286 HydrophobicContact CD2-CG 4.07Å; Y281-L355 HydrophobicContact CD1-CB 4.48Å; Y281-L355 HydrophobicContact CD1-CD1 3.56Å; Y281-L355 HydrophobicContact CD2-CB 4.39Å; Y281-L355 HydrophobicContact CD2-CD1 4.13Å; Y281-L355 HydrophobicContact CE1-CD1 3.63Å; Y281-L355 HydrophobicContact CE2-CD1 4.17Å; Y281-L355 HydrophobicContact CG-CB 4.04Å; Y281-L355 HydrophobicContact CG-CD1 3.83Å; Y281-D356 WeakPolarHBondContact CB-OD1 3.42Å; Y281-D356 PolarHBondContact N-OD1 3.49Å; Y281-L359 HydrophobicContact CD2-CD1 3.42Å; Y281-L359 VanDerWaalsContact CD2-CD1 3.42Å; Y281-L359 HydrophobicContact CE2-CD1 3.98Å; Y281-L359 HydrophobicContact CG-CD1 4.35Å |
| 282 | N | 98.2 | Very high | 97.8 | Very high | 21 Ų | 21 | 28.1 Ų | 28.1 | 11% | 0.112 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -35.3 | -178.1 | -71.5 | 79.1 | 0 | 0 | 0 | 112.4 | V270 M278 P279 I280 Q285 | V270-N282 HydrophobicContact CG1-CB 4.49Å; V270-N282 WeakPolarHBondContact CG1-OD1 3.48Å; M278-N282 HydrophobicContact CG-CB 3.65Å; M278-N282 HydrophobicContact SD-CB 3.81Å; P279-N282 PolarHBondContact O-N 3.3Å; P279-N282 VanDerWaalsContact O-N 3.09Å; I280-N282 VanDerWaalsContact C-N 3.28Å; I280-N282 PolarHBondContact O-N 3.16Å; N282-Q285 PolarHBondContact O-NE2 2.99Å |
| 283 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69 | -44.6 | 178 | -66.2 | 169.4 | 0 | 0 | 0 | 112.4 | T132 V133 H136 V150 E275 M278 P279 I280 Y281 | T132-L283 HydrophobicContact CG2-CD2 4.39Å; V133-L283 WeakPolarHBondContact CA-O 3.45Å; H136-L283 WeakPolarHBondContact NE2-CD2 3.34Å; V150-L283 HydrophobicContact CG1-CD1 4.1Å; E275-L283 HydrophobicContact CB-CD2 4.11Å; M278-L283 HydrophobicContact CB-CD2 4.1Å; M278-L283 HydrophobicContact CB-CG 4.21Å; M278-L283 HydrophobicContact CG-CD2 4.09Å; M278-L283 HydrophobicContact CG-CG 4.05Å; M278-L283 HydrophobicContact SD-CD2 3.53Å; M278-L283 VanDerWaalsContact SD-CD2 3.53Å; M278-L283 HydrophobicContact SD-CG 3.95Å; P279-L283 WeakPolarHBondContact O-CG 3.09Å; P279-L283 PolarHBondContact O-N 2.95Å; I280-L283 PolarHBondContact O-N 3.23Å; Y281-L283 PolarHBondContact O-N 2.9Å |
| 284 | C | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -115.1 | -11.9 | -166.6 | -70.5 | 0 | 0 | 0 | 0 | 115.5 | C148 M206 I280 Y291 | C148-C284 HydrophobicContact CB-CB 3.92Å; C148-C284 WeakPolarHBondContact CB-SG 3.37Å; C148-C284 WeakPolarHBondContact SG-CA 3.33Å; C148-C284 WeakPolarHBondContact SG-CB 3.18Å; C148-C284 CovalentContact SG-SG 2.04Å; C148-C284 PolarHBondContact SG-SG 3.39Å; M206-C284 HydrophobicContact CE-CB 3.56Å; M206-C284 HydrophobicContact SD-CB 3.82Å; I280-C284 PolarHBondContact O-N 3.05Å; C284-Y291 HydrophobicContact CB-CE2 4.39Å; C284-Y291 WeakPolarHBondContact CB-OH 3.13Å; C284-Y291 WeakPolarHBondContact O-CE2 3.32Å; C284-Y291 PolarHBondContact O-OH 2.73Å |
| 285 | Q | 98 | Very high | 98 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | trans | 44.9 | 63 | 173.7 | -61.5 | -72.3 | -22.6 | 0 | 0 | 113.7 | L125 V133 Y281 N282 C287 A288 V289 | L125-Q285 HydrophobicContact CD1-CB 4.2Å; L125-Q285 HydrophobicContact CD1-CG 3.88Å; L125-Q285 HydrophobicContact CD2-CG 4.22Å; V133-Q285 HydrophobicContact CB-CG 4.18Å; V133-Q285 HydrophobicContact CG2-CB 4.22Å; V133-Q285 HydrophobicContact CG2-CG 4.39Å; Y281-Q285 VanDerWaalsContact O-CA 3.27Å; Y281-Q285 WeakPolarHBondContact O-CA 3.39Å; Y281-Q285 PolarHBondContact O-N 3.33Å; N282-Q285 PolarHBondContact O-NE2 2.99Å; Q285-C287 PolarHBondContact O-N 2.77Å; Q285-A288 HydrophobicContact CB-CB 3.9Å; Q285-A288 PolarHBondContact O-N 2.81Å; Q285-V289 PolarHBondContact O-N 3.31Å | ||
| 286 | P | 97.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -12.1 | -173.5 | 27.7 | -37.4 | 0 | 0 | 0 | 115.4 | Y281 V289 Y291 L359 F360 | Y281-P286 HydrophobicContact CD2-CG 4.07Å; P286-V289 CarbonylContact C-O 3.48Å; P286-V289 VanDerWaalsContact O-O 3.05Å; P286-Y291 HydrophobicContact CB-CD2 4.13Å; P286-Y291 HydrophobicContact CB-CE2 4.21Å; P286-L359 HydrophobicContact CG-CD1 4.07Å; P286-F360 HydrophobicContact CG-CE1 4.35Å; P286-F360 HydrophobicContact CG-CZ 4.09Å |
| 287 | C | 97.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 16.9 Ų | 16.9 | 9% | 0.088 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -34.6 | 169.5 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | C113 M118 P119 Q285 | C113-C287 WeakPolarHBondContact CA-SG 3.06Å; C113-C287 HydrophobicContact CB-CB 3.51Å; C113-C287 WeakPolarHBondContact CB-SG 3.44Å; C113-C287 WeakPolarHBondContact SG-CA 3.34Å; C113-C287 WeakPolarHBondContact SG-CB 3.26Å; C113-C287 CovalentContact SG-SG 2.04Å; C113-C287 PolarHBondContact SG-SG 3.41Å; M118-C287 HydrophobicContact CB-CB 4.35Å; M118-C287 HydrophobicContact CE-CB 4.24Å; M118-C287 WeakPolarHBondContact CE-SG 3.41Å; P119-C287 HydrophobicContact CG-CB 4.29Å; P119-C287 CarbonylContact O-C 3.55Å; P119-C287 VanDerWaalsContact O-CB 3.26Å; P119-C287 WeakPolarHBondContact O-CB 3.49Å; Q285-C287 PolarHBondContact O-N 2.77Å |
| 288 | A | 97.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 8% | 0.083 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -23.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P119 V122 L125 Q285 | P119-A288 HydrophobicContact CB-CB 4.11Å; P119-A288 HydrophobicContact CG-CB 4.24Å; P119-A288 PolarHBondContact O-N 3.27Å; V122-A288 PolarHBondContact N-O 3.12Å; L125-A288 HydrophobicContact CD1-CB 3.91Å; L125-A288 HydrophobicContact CD2-CB 4.09Å; L125-A288 HydrophobicContact CG-CB 4.02Å; Q285-A288 HydrophobicContact CB-CB 3.9Å; Q285-A288 PolarHBondContact O-N 2.81Å |
| 289 | V | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -121.8 | 111.2 | 178.8 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | V122 V133 I137 L199 K204 Q285 P286 Y291 | V122-V289 HydrophobicContact CG1-CG2 3.59Å; V133-V289 HydrophobicContact CG2-CG2 4.06Å; I137-V289 HydrophobicContact CD1-CG1 4.42Å; I137-V289 HydrophobicContact CD1-CG2 4.08Å; L199-V289 HydrophobicContact CD2-CG1 4.21Å; K204-V289 HydrophobicContact CD-CG1 4.21Å; Q285-V289 PolarHBondContact O-N 3.31Å; P286-V289 CarbonylContact C-O 3.48Å; P286-V289 VanDerWaalsContact O-O 3.05Å; V289-Y291 HydrophobicContact CB-CD2 4.36Å; V289-Y291 HydrophobicContact CB-CE2 3.71Å; V289-Y291 HydrophobicContact CG1-CD1 4.38Å; V289-Y291 HydrophobicContact CG1-CD2 4.24Å; V289-Y291 HydrophobicContact CG1-CE1 3.93Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å; V289-Y291 WeakPolarHBondContact O-CD2 3.16Å; V289-Y291 WeakPolarHBondContact O-CE2 3.5Å; V289-Y291 PolarHBondContact O-N 3.31Å |
| 290 | S | 96.2 | Very high | 97.1 | Very high | 88 Ų | 88 | 24.1 Ų | 24.1 | 62% | 0.615 | 13% | 0.127 | S | C | * | . | trans | -76.1 | 95.7 | 176.1 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | K204 | K204-S290 WeakPolarHBondContact CD-O 3.24Å; K204-S290 VanDerWaalsContact CE-O 3.24Å; K204-S290 WeakPolarHBondContact CE-O 3.38Å; K204-S290 PolarHBondContact NZ-O 3.41Å | ||
| 291 | Y | 98.3 | Very high | 96.8 | Very high | 26 Ų | 26 | 26.8 Ų | 26.8 | 10% | 0.102 | 16% | 0.155 | C | C | . | . | trans | -73.5 | 134.8 | 174.3 | -65.5 | -81.4 | 0 | 0 | 0 | 110.8 | C148 K204 M206 C284 P286 V289 | C148-Y291 HydrophobicContact CB-CE1 3.7Å; C148-Y291 WeakPolarHBondContact CB-OH 3.17Å; K204-Y291 HydrophobicContact CB-CD1 4.03Å; M206-Y291 HydrophobicContact CB-CD1 4.16Å; M206-Y291 HydrophobicContact CB-CE1 4Å; M206-Y291 HydrophobicContact CG-CD1 3.99Å; M206-Y291 HydrophobicContact CG-CD2 4.38Å; M206-Y291 HydrophobicContact CG-CE1 4.13Å; M206-Y291 HydrophobicContact CG-CG 4.14Å; M206-Y291 HydrophobicContact SD-CD1 4.32Å; M206-Y291 HydrophobicContact SD-CD2 3.79Å; M206-Y291 HydrophobicContact SD-CE1 4.18Å; M206-Y291 HydrophobicContact SD-CE2 3.62Å; M206-Y291 HydrophobicContact SD-CG 4.16Å; C284-Y291 HydrophobicContact CB-CE2 4.39Å; C284-Y291 WeakPolarHBondContact CB-OH 3.13Å; C284-Y291 WeakPolarHBondContact O-CE2 3.32Å; C284-Y291 PolarHBondContact O-OH 2.73Å; P286-Y291 HydrophobicContact CB-CD2 4.13Å; P286-Y291 HydrophobicContact CB-CE2 4.21Å; V289-Y291 HydrophobicContact CB-CD2 4.36Å; V289-Y291 HydrophobicContact CB-CE2 3.71Å; V289-Y291 HydrophobicContact CG1-CD1 4.38Å; V289-Y291 HydrophobicContact CG1-CD2 4.24Å; V289-Y291 HydrophobicContact CG1-CE1 3.93Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å; V289-Y291 WeakPolarHBondContact O-CD2 3.16Å; V289-Y291 WeakPolarHBondContact O-CE2 3.5Å; V289-Y291 PolarHBondContact O-N 3.31Å | ||
| 292 | N | 97.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 29.9 Ų | 29.9 | 47% | 0.471 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -79.7 | -26.9 | 174.5 | -61.3 | 103.4 | 0 | 0 | 0 | 112.1 | F203 K204 | F203-N292 HydrophobicContact CD2-CB 3.52Å; F203-N292 HydrophobicContact CE2-CB 3.37Å; F203-N292 HydrophobicContact CG-CB 4.49Å; F203-N292 HydrophobicContact CZ-CB 4.26Å; K204-N292 PolarHBondContact N-OD1 3.49Å; K204-N292 WeakPolarHBondContact O-CA 3.39Å; K204-N292 WeakPolarHBondContact O-CB 3.42Å; K204-N292 PolarHBondContact O-N 3.05Å |
| 293 | F | 98 | Very high | 96.6 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.088 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 138.8 | 177.8 | -177 | -108.2 | 0 | 0 | 0 | 111.6 | F203 K204 F205 M206 F207 D303 Y306 V307 | F203-F293 HydrophobicContact CE2-CB 4.39Å; F203-F293 HydrophobicContact CZ-CB 3.75Å; K204-F293 PolarHBondContact O-N 3.47Å; F205-F293 WeakPolarHBondContact CA-O 3.45Å; F205-F293 HydrophobicContact CB-CB 4.14Å; F205-F293 HydrophobicContact CB-CD1 4.44Å; F205-F293 WeakPolarHBondContact CB-O 3.36Å; M206-F293 PolarHBondContact N-O 3.33Å; F207-F293 HydrophobicContact CZ-CE1 4.33Å; F293-D303 HydrophobicContact CE1-CB 4Å; F293-D303 HydrophobicContact CZ-CB 3.87Å; F293-Y306 HydrophobicContact CB-CE1 4.3Å; F293-Y306 HydrophobicContact CD1-CD1 4.17Å; F293-Y306 HydrophobicContact CD1-CE1 4.39Å; F293-Y306 AromaticContact CD2-CD1 3.77Å; F293-Y306 HydrophobicContact CD2-CD1 3.77Å; F293-Y306 AromaticContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CD2-CE1 3.47Å; F293-Y306 VanDerWaalsContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CE1-CD1 4.05Å; F293-Y306 AromaticContact CE2-CD1 3.65Å; F293-Y306 HydrophobicContact CE2-CD1 3.65Å; F293-Y306 AromaticContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CG-CD1 4.02Å; F293-Y306 AromaticContact CG-CE1 3.8Å; F293-Y306 HydrophobicContact CG-CE1 3.8Å; F293-Y306 AromaticContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CE1 4.35Å; F293-V307 HydrophobicContact CD1-CG2 3.35Å; F293-V307 HydrophobicContact CE1-CG2 3.62Å; F293-V307 HydrophobicContact CG-CG2 4.31Å |
| 294 | I | 98.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 99.6 | 174.4 | -58.7 | 176.1 | 0 | 0 | 0 | 107.7 | Q102 R105 I109 M206 V208 F360 | Q102-I294 PolarHBondContact NE2-O 3.03Å; Q102-I294 PolarHBondContact OE1-O 3.28Å; R105-I294 PolarHBondContact NH1-O 3.34Å; I109-I294 HydrophobicContact CD1-CD1 3.27Å; M206-I294 HydrophobicContact CG-CB 4.42Å; M206-I294 HydrophobicContact CG-CG1 3.92Å; M206-I294 HydrophobicContact CG-CG2 4.11Å; M206-I294 CarbonylContact O-C 3.56Å; M206-I294 WeakPolarHBondContact O-CA 3.32Å; M206-I294 HydrophobicContact SD-CG1 4.47Å; V208-I294 HydrophobicContact CG1-CG2 3.71Å; V208-I294 HydrophobicContact CG2-CG2 4Å; I294-F360 HydrophobicContact CD1-CE1 4.31Å; I294-F360 HydrophobicContact CG2-CD1 4.26Å; I294-F360 HydrophobicContact CG2-CE1 4.41Å |
| 295 | G | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 167.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M206 F207 V208 D303 | M206-G295 PolarHBondContact O-N 3.48Å; F207-G295 CarbonylContact C-O 3.58Å; F207-G295 VanDerWaalsContact CA-O 3.31Å; F207-G295 WeakPolarHBondContact CA-O 3.29Å; V208-G295 VanDerWaalsContact CG2-O 3.25Å; V208-G295 WeakPolarHBondContact CG2-O 3.24Å; V208-G295 PolarHBondContact N-O 3.33Å; G295-D303 WeakPolarHBondContact CA-OD2 3.35Å |
| 296 | S | 96.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.3 | 179.6 | -31.9 | 0 | 0 | 0 | 0 | 111.5 | R105 V208 E298 Q299 L300 D303 | R105-S296 PolarHBondContact NH1-OG 2.85Å; R105-S296 PolarHBondContact NH2-OG 2.69Å; V208-S296 CarbonylContact O-C 3.42Å; V208-S296 WeakPolarHBondContact O-CA 3.4Å; S296-E298 VanDerWaalsContact CB-OE2 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.37Å; S296-E298 PolarHBondContact O-N 3.06Å; S296-Q299 CarbonylContact O-C 3.45Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.08Å; S296-L300 PolarHBondContact O-N 3.09Å; S296-D303 PolarHBondContact N-OD2 2.94Å |
| 297 | Y | 95.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 37.6 Ų | 37.6 | 16% | 0.161 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -60 | -36.8 | 178 | -173.1 | -97.3 | 0 | 0 | 0 | 111.7 | V153 A154 V208 R209 Q299 L300 | V153-Y297 HydrophobicContact CG1-CD2 4.21Å; A154-Y297 HydrophobicContact CB-CD2 4.42Å; A154-Y297 HydrophobicContact CB-CE2 4.15Å; V208-Y297 PolarHBondContact O-N 3.49Å; R209-Y297 HydrophobicContact CB-CG 4.37Å; R209-Y297 HydrophobicContact CG-CD1 4.23Å; R209-Y297 HydrophobicContact CG-CG 4.03Å; Y297-Q299 PolarHBondContact O-N 2.96Å; Y297-L300 HydrophobicContact CD2-CD1 3.43Å; Y297-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y297-L300 HydrophobicContact CD2-CG 4.2Å; Y297-L300 HydrophobicContact CE2-CD1 3.47Å; Y297-L300 VanDerWaalsContact CE2-CD1 3.47Å; Y297-L300 HydrophobicContact CG-CD1 4.04Å; Y297-L300 WeakPolarHBondContact O-CD1 3.29Å; Y297-L300 VanDerWaalsContact O-CG 3.23Å; Y297-L300 WeakPolarHBondContact O-CG 3.22Å; Y297-L300 PolarHBondContact O-N 3.41Å |
| 298 | E | 93.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -65.9 | -18.6 | -179.5 | -57.7 | 75.4 | -165.5 | 0 | 0 | 111.6 | E210 S296 Y362 | E210-E298 PolarHBondContact N-OE1 3.32Å; S296-E298 VanDerWaalsContact CB-OE2 3.25Å; S296-E298 WeakPolarHBondContact CB-OE2 3.37Å; S296-E298 PolarHBondContact O-N 3.06Å; E298-Y362 PolarHBondContact OE2-OH 2.88Å; E298-Y362 VanDerWaalsContact OE2-OH 3.13Å |
| 299 | Q | 93.9 | Very high | 96.4 | Very high | 46 Ų | 46 | 42.9 Ų | 42.9 | 22% | 0.215 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -126.3 | 24.9 | -176.4 | -65.4 | 173.8 | 95.8 | 0 | 0 | 111.7 | S98 S296 Y297 G301 R302 D303 | S98-Q299 PolarHBondContact OG-OE1 3.34Å; S296-Q299 CarbonylContact O-C 3.45Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.08Å; Y297-Q299 PolarHBondContact O-N 2.96Å; Q299-G301 VanDerWaalsContact C-N 3.3Å; Q299-G301 PolarHBondContact O-N 3.32Å; Q299-G301 VanDerWaalsContact O-N 3.14Å; Q299-R302 PolarHBondContact O-N 3.42Å; Q299-D303 WeakPolarHBondContact O-CB 3.09Å; Q299-D303 PolarHBondContact O-N 2.91Å |
| 300 | L | 93.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 14% | 0.141 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -49.6 | -44.6 | -172.1 | -88.1 | 168.1 | 0 | 0 | 0 | 114.2 | A154 F207 S296 Y297 S304 F319 | A154-L300 HydrophobicContact CB-CD1 3.67Å; A154-L300 HydrophobicContact CB-CD2 3.86Å; A154-L300 HydrophobicContact CB-CG 4.45Å; F207-L300 HydrophobicContact CD1-CD2 3.77Å; F207-L300 HydrophobicContact CE1-CD2 3.99Å; S296-L300 PolarHBondContact O-N 3.09Å; Y297-L300 HydrophobicContact CD2-CD1 3.43Å; Y297-L300 VanDerWaalsContact CD2-CD1 3.43Å; Y297-L300 HydrophobicContact CD2-CG 4.2Å; Y297-L300 HydrophobicContact CE2-CD1 3.47Å; Y297-L300 VanDerWaalsContact CE2-CD1 3.47Å; Y297-L300 HydrophobicContact CG-CD1 4.04Å; Y297-L300 WeakPolarHBondContact O-CD1 3.29Å; Y297-L300 VanDerWaalsContact O-CG 3.23Å; Y297-L300 WeakPolarHBondContact O-CG 3.22Å; Y297-L300 PolarHBondContact O-N 3.41Å; L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 2.62Å; L300-S304 PolarHBondContact O-OG 2.9Å; L300-F319 HydrophobicContact CB-CE1 4.4Å; L300-F319 HydrophobicContact CD2-CE1 4.12Å; L300-F319 HydrophobicContact CD2-CZ 3.98Å |
| 301 | G | 93.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 46.3 Ų | 46.3 | 58% | 0.577 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -57.9 | -59.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q299 E305 | Q299-G301 VanDerWaalsContact C-N 3.3Å; Q299-G301 PolarHBondContact O-N 3.32Å; Q299-G301 VanDerWaalsContact O-N 3.14Å; G301-E305 WeakPolarHBondContact O-CB 3.48Å; G301-E305 PolarHBondContact O-N 3.23Å; G301-E305 VanDerWaalsContact O-N 3.09Å |
| 302 | R | 94.1 | Very high | 96.5 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.4 | -45 | -179 | -169.2 | -163.2 | 61.7 | -137.7 | -22.9 | 112.6 | A94 S98 Q299 S304 E305 Y306 | A94-R302 PolarHBondContact O-NH1 3.15Å; S98-R302 PolarHBondContact OG-NH1 3.11Å; S98-R302 PolarHBondContact OG-NH2 3.3Å; Q299-R302 PolarHBondContact O-N 3.42Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 3.44Å; R302-E305 PolarHBondContact O-N 3.32Å; R302-Y306 PolarHBondContact O-N 3.14Å |
| 303 | D | 96.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.3 | -31.9 | -175.9 | -73.7 | 7.6 | 0 | 0 | 0 | 111.6 | F207 F293 G295 S296 Q299 V307 | F207-D303 HydrophobicContact CE1-CB 3.62Å; F207-D303 HydrophobicContact CZ-CB 4.12Å; F293-D303 HydrophobicContact CE1-CB 4Å; F293-D303 HydrophobicContact CZ-CB 3.87Å; G295-D303 WeakPolarHBondContact CA-OD2 3.35Å; S296-D303 PolarHBondContact N-OD2 2.94Å; Q299-D303 WeakPolarHBondContact O-CB 3.09Å; Q299-D303 PolarHBondContact O-N 2.91Å; D303-V307 WeakPolarHBondContact O-CG2 3.2Å; D303-V307 PolarHBondContact O-N 3.5Å |
| 304 | S | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.2 | -39.1 | 175.1 | -50.8 | 0 | 0 | 0 | 0 | 111.9 | L300 R302 V307 L308 F319 | L300-S304 WeakPolarHBondContact O-CB 3.44Å; L300-S304 PolarHBondContact O-N 2.62Å; L300-S304 PolarHBondContact O-OG 2.9Å; R302-S304 VanDerWaalsContact C-N 3.3Å; R302-S304 PolarHBondContact O-N 3.44Å; S304-V307 PolarHBondContact O-N 3.23Å; S304-L308 WeakPolarHBondContact O-CG 3.39Å; S304-L308 PolarHBondContact O-N 2.95Å; S304-F319 VanDerWaalsContact CB-CG 3.48Å |
| 305 | E | 96.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 51 Ų | 51 | 38% | 0.383 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 173.8 | -175.8 | 56.9 | -147.5 | 0 | 0 | 111.4 | G301 R302 V307 L308 Q309 | G301-E305 WeakPolarHBondContact O-CB 3.48Å; G301-E305 PolarHBondContact O-N 3.23Å; G301-E305 VanDerWaalsContact O-N 3.09Å; R302-E305 PolarHBondContact O-N 3.32Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 PolarHBondContact O-N 3.18Å; E305-L308 PolarHBondContact O-N 3.28Å; E305-Q309 WeakPolarHBondContact O-CG 3.38Å; E305-Q309 PolarHBondContact O-N 2.91Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å |
| 306 | Y | 96.3 | Very high | 95.9 | Very high | 107 Ų | 107 | 58 Ų | 58 | 42% | 0.42 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.3 | -44.4 | 173.8 | 171.9 | -95.5 | 0 | 0 | 0 | 112.2 | F293 R302 R310 | F293-Y306 HydrophobicContact CB-CE1 4.3Å; F293-Y306 HydrophobicContact CD1-CD1 4.17Å; F293-Y306 HydrophobicContact CD1-CE1 4.39Å; F293-Y306 AromaticContact CD2-CD1 3.77Å; F293-Y306 HydrophobicContact CD2-CD1 3.77Å; F293-Y306 AromaticContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CD2-CE1 3.47Å; F293-Y306 VanDerWaalsContact CD2-CE1 3.47Å; F293-Y306 HydrophobicContact CE1-CD1 4.05Å; F293-Y306 AromaticContact CE2-CD1 3.65Å; F293-Y306 HydrophobicContact CE2-CD1 3.65Å; F293-Y306 AromaticContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CE2-CE1 3.78Å; F293-Y306 HydrophobicContact CG-CD1 4.02Å; F293-Y306 AromaticContact CG-CE1 3.8Å; F293-Y306 HydrophobicContact CG-CE1 3.8Å; F293-Y306 AromaticContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CD1 3.79Å; F293-Y306 HydrophobicContact CZ-CE1 4.35Å; R302-Y306 PolarHBondContact O-N 3.14Å; Y306-R310 WeakPolarHBondContact O-CB 3.33Å; Y306-R310 PolarHBondContact O-N 2.94Å |
| 307 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 178.6 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | W158 F203 F205 F207 F293 D303 S304 E305 Q309 R310 I311 | W158-V307 HydrophobicContact CH2-CB 3.75Å; W158-V307 HydrophobicContact CH2-CG1 3.47Å; W158-V307 VanDerWaalsContact CH2-CG1 3.47Å; W158-V307 HydrophobicContact CZ2-CB 4.33Å; W158-V307 HydrophobicContact CZ2-CG1 4.31Å; W158-V307 HydrophobicContact CZ3-CG1 3.95Å; F203-V307 HydrophobicContact CE1-CG1 4.31Å; F205-V307 HydrophobicContact CB-CG2 4.48Å; F205-V307 HydrophobicContact CD1-CG1 3.87Å; F205-V307 HydrophobicContact CD2-CG1 4.03Å; F205-V307 HydrophobicContact CD2-CG2 4.18Å; F205-V307 HydrophobicContact CE1-CG1 3.65Å; F205-V307 HydrophobicContact CE2-CG1 3.84Å; F205-V307 HydrophobicContact CG-CG1 4.04Å; F205-V307 HydrophobicContact CG-CG2 4.25Å; F205-V307 HydrophobicContact CZ-CG1 3.64Å; F207-V307 HydrophobicContact CE2-CG2 4.31Å; F207-V307 HydrophobicContact CZ-CG2 4.29Å; F293-V307 HydrophobicContact CD1-CG2 3.35Å; F293-V307 HydrophobicContact CE1-CG2 3.62Å; F293-V307 HydrophobicContact CG-CG2 4.31Å; D303-V307 WeakPolarHBondContact O-CG2 3.2Å; D303-V307 PolarHBondContact O-N 3.5Å; S304-V307 PolarHBondContact O-N 3.23Å; E305-V307 VanDerWaalsContact C-N 3.3Å; E305-V307 PolarHBondContact O-N 3.18Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 2.77Å; V307-R310 PolarHBondContact O-N 3.37Å; V307-R310 VanDerWaalsContact O-N 3.11Å; V307-I311 HydrophobicContact CG1-CG2 4.48Å; V307-I311 WeakPolarHBondContact O-CG1 3.32Å; V307-I311 PolarHBondContact O-N 2.99Å |
| 308 | L | 98.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 179.2 | -72.1 | 170.6 | 0 | 0 | 0 | 111.4 | W158 V161 S304 E305 I311 G312 A313 V317 F319 | W158-L308 HydrophobicContact CZ3-CD2 4.45Å; V161-L308 HydrophobicContact CG1-CD2 3.79Å; S304-L308 WeakPolarHBondContact O-CG 3.39Å; S304-L308 PolarHBondContact O-N 2.95Å; E305-L308 PolarHBondContact O-N 3.28Å; L308-I311 HydrophobicContact CD2-CD1 4.45Å; L308-I311 VanDerWaalsContact O-CG1 3.31Å; L308-I311 WeakPolarHBondContact O-CG1 3.5Å; L308-G312 PolarHBondContact O-N 3.24Å; L308-A313 HydrophobicContact CB-CB 4.12Å; L308-A313 HydrophobicContact CD2-CB 3.8Å; L308-A313 WeakPolarHBondContact O-CB 3.48Å; L308-A313 PolarHBondContact O-N 3.38Å; L308-V317 HydrophobicContact CD2-CG1 4.24Å; L308-F319 HydrophobicContact CD1-CB 4.27Å |
| 309 | Q | 97.7 | Very high | 95.9 | Very high | 128 Ų | 128 | 57 Ų | 57 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 173.1 | -68.6 | 175.6 | 10.1 | 0 | 0 | 111.5 | E305 V307 I311 G312 | E305-Q309 WeakPolarHBondContact O-CG 3.38Å; E305-Q309 PolarHBondContact O-N 2.91Å; E305-Q309 PolarHBondContact OE1-NE2 2.98Å; V307-Q309 VanDerWaalsContact C-N 3.34Å; V307-Q309 PolarHBondContact O-N 2.77Å; Q309-I311 VanDerWaalsContact C-N 3.33Å; Q309-I311 PolarHBondContact O-N 3Å; Q309-G312 PolarHBondContact O-N 2.93Å; Q309-G312 VanDerWaalsContact O-N 3.1Å |
| 310 | R | 97.9 | Very high | 95.8 | Very high | 145 Ų | 145 | 55 Ų | 55 | 55% | 0.547 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -34.3 | -176.7 | -175.8 | 63.1 | -175.1 | 102.4 | -8.4 | 113.6 | F203 Y306 V307 G312 | F203-R310 HydrophobicContact CD2-CG 4.02Å; F203-R310 HydrophobicContact CE1-CG 4.2Å; F203-R310 HydrophobicContact CE2-CG 3.59Å; F203-R310 HydrophobicContact CG-CG 4.48Å; F203-R310 HydrophobicContact CZ-CB 4.35Å; F203-R310 HydrophobicContact CZ-CG 3.7Å; Y306-R310 WeakPolarHBondContact O-CB 3.33Å; Y306-R310 PolarHBondContact O-N 2.94Å; V307-R310 PolarHBondContact O-N 3.37Å; V307-R310 VanDerWaalsContact O-N 3.11Å; R310-G312 VanDerWaalsContact C-N 3.34Å |
| 311 | I | 97.8 | Very high | 95.5 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 10% | 0.103 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -85.9 | -5.4 | 176.9 | 68.5 | 174.9 | 0 | 0 | 0 | 112.9 | F145 L165 F203 V307 L308 Q309 A313 | F145-I311 HydrophobicContact CB-CG2 3.95Å; F145-I311 HydrophobicContact CD1-CB 4.19Å; F145-I311 HydrophobicContact CD1-CD1 3.76Å; F145-I311 HydrophobicContact CD1-CG2 3.97Å; F145-I311 HydrophobicContact CE1-CD1 3.61Å; F145-I311 HydrophobicContact CG-CG2 4.17Å; F145-I311 HydrophobicContact CZ-CD1 4.38Å; L165-I311 HydrophobicContact CD1-CD1 4Å; F203-I311 HydrophobicContact CD1-CG2 3.71Å; F203-I311 HydrophobicContact CE1-CG2 4.21Å; V307-I311 HydrophobicContact CG1-CG2 4.48Å; V307-I311 WeakPolarHBondContact O-CG1 3.32Å; V307-I311 PolarHBondContact O-N 2.99Å; L308-I311 HydrophobicContact CD2-CD1 4.45Å; L308-I311 VanDerWaalsContact O-CG1 3.31Å; L308-I311 WeakPolarHBondContact O-CG1 3.5Å; Q309-I311 VanDerWaalsContact C-N 3.33Å; Q309-I311 PolarHBondContact O-N 3Å; I311-A313 HydrophobicContact CD1-CB 4.23Å; I311-A313 HydrophobicContact CG1-CB 4.08Å |
| 312 | G | 97.7 | Very high | 95 | Very high | 52 Ų | 52 | 65 Ų | 65 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 38.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L308 Q309 R310 | L308-G312 PolarHBondContact O-N 3.24Å; Q309-G312 PolarHBondContact O-N 2.93Å; Q309-G312 VanDerWaalsContact O-N 3.1Å; R310-G312 VanDerWaalsContact C-N 3.34Å |
| 313 | A | 97.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 62.7 Ų | 62.7 | 15% | 0.149 | 31% | 0.308 | C | S | . | . | trans | -59.3 | 146.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | L165 L308 I311 | L165-A313 HydrophobicContact CD2-CB 4.25Å; L308-A313 HydrophobicContact CB-CB 4.12Å; L308-A313 HydrophobicContact CD2-CB 3.8Å; L308-A313 WeakPolarHBondContact O-CB 3.48Å; L308-A313 PolarHBondContact O-N 3.38Å; I311-A313 HydrophobicContact CD1-CB 4.23Å; I311-A313 HydrophobicContact CG1-CB 4.08Å | ||
| 314 | P | 96.3 | Very high | 93.6 | Very high | 26 Ų | 26 | 69 Ų | 69 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | trans | -59.4 | 148.1 | 177.5 | -23.5 | 34.9 | 0 | 0 | 0 | 111.5 | Y143 F316 V317 | Y143-P314 HydrophobicContact CE1-CG 4.35Å; Y143-P314 WeakPolarHBondContact OH-CD 3.47Å; Y143-P314 VanDerWaalsContact OH-CG 3.26Å; Y143-P314 WeakPolarHBondContact OH-CG 3.15Å; P314-F316 HydrophobicContact CB-CD1 3.59Å; P314-F316 HydrophobicContact CB-CE1 3.23Å; P314-F316 HydrophobicContact CB-CG 4.41Å; P314-F316 HydrophobicContact CB-CZ 3.77Å; P314-F316 HydrophobicContact CG-CE1 3.93Å; P314-F316 HydrophobicContact CG-CZ 4.05Å; P314-F316 PolarHBondContact O-N 2.87Å; P314-V317 HydrophobicContact CB-CG2 4.3Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 PolarHBondContact O-N 2.84Å | ||
| 315 | P | 93.3 | Very high | 92.6 | Very high | 142 Ų | 142 | 76.6 Ų | 76.6 | 92% | 0.922 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.5 | -175.7 | -26.5 | 34.7 | 0 | 0 | 0 | 115.5 | V317 | P315-V317 VanDerWaalsContact C-N 3.31Š|
| 316 | F | 92.2 | Very high | 91.9 | Very high | 145 Ų | 145 | 74.9 Ų | 74.9 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -7.4 | 177.1 | 67.5 | -96.8 | 0 | 0 | 0 | 113.4 | V164 P314 | V164-F316 HydrophobicContact CG1-CE2 4.34Å; P314-F316 HydrophobicContact CB-CD1 3.59Å; P314-F316 HydrophobicContact CB-CE1 3.23Å; P314-F316 HydrophobicContact CB-CG 4.41Å; P314-F316 HydrophobicContact CB-CZ 3.77Å; P314-F316 HydrophobicContact CG-CE1 3.93Å; P314-F316 HydrophobicContact CG-CZ 4.05Å; P314-F316 PolarHBondContact O-N 2.87Å |
| 317 | V | 95.3 | Very high | 91.3 | Very high | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.055 | 38% | 0.377 | C | S | . | . | trans | -97 | 104.6 | 178 | -178 | 0 | 0 | 0 | 0 | 109.1 | V161 V164 L165 V172 L308 P314 P315 | V161-V317 HydrophobicContact CG1-CG1 4.11Å; V164-V317 HydrophobicContact CG1-CG2 3.91Å; L165-V317 HydrophobicContact CD2-CB 4.44Å; L165-V317 HydrophobicContact CD2-CG1 4.16Å; L165-V317 HydrophobicContact CD2-CG2 4.05Å; L165-V317 HydrophobicContact CG-CG1 4.45Å; V172-V317 HydrophobicContact CG1-CG1 4.34Å; L308-V317 HydrophobicContact CD2-CG1 4.24Å; P314-V317 HydrophobicContact CB-CG2 4.3Å; P314-V317 HydrophobicContact CG-CG2 4.32Å; P314-V317 PolarHBondContact O-N 2.84Å; P315-V317 VanDerWaalsContact C-N 3.31Å | ||
| 318 | H | 95.4 | Very high | 90.8 | Very high | 72 Ų | 72 | 79.2 Ų | 79.2 | 33% | 0.333 | 39% | 0.392 | S | S | . | . | trans | -106.4 | 167.3 | 171.2 | 58.4 | -77.5 | 0 | 0 | 0 | 111.8 | V172 D173 P320 | V172-H318 WeakPolarHBondContact CG2-CE1 3.11Å; V172-H318 WeakPolarHBondContact CG2-NE2 3.28Å; D173-H318 IonicContact OD1-CE1 3.66Å; D173-H318 IonicContact OD1-NE2 2.65Å; D173-H318 PolarHBondContact OD1-NE2 2.61Å; D173-H318 VanDerWaalsContact OD1-NE2 3.11Å; D173-H318 IonicContact OD2-CE1 3.86Å; D173-H318 PolarHBondContact OD2-CE1 3.03Å; D173-H318 IonicContact OD2-NE2 2.78Å; D173-H318 PolarHBondContact OD2-NE2 2.91Å; H318-P320 WeakPolarHBondContact O-CD 3.5Å | ||
| 319 | F | 95 | Very high | 90.4 | Very high | 30 Ų | 30 | 79.5 Ų | 79.5 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -75 | 122.7 | 170.4 | -170.3 | -104.1 | 0 | 0 | 0 | 109.7 | A154 N157 W158 V161 L300 S304 L308 | A154-F319 HydrophobicContact CB-CE1 4.44Å; A154-F319 HydrophobicContact CB-CZ 3.82Å; N157-F319 HydrophobicContact CB-CE1 4.13Å; N157-F319 HydrophobicContact CB-CE2 3.75Å; N157-F319 HydrophobicContact CB-CZ 3.51Å; W158-F319 AromaticContact CD1-CE2 3.68Å; W158-F319 HydrophobicContact CD2-CD2 4.36Å; W158-F319 AromaticContact CD2-CE2 3.92Å; W158-F319 HydrophobicContact CD2-CE2 3.92Å; W158-F319 AromaticContact CE2-CE2 3.62Å; W158-F319 AromaticContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CG-CE2 3.93Å; W158-F319 HydrophobicContact CZ2-CD2 4.13Å; W158-F319 HydrophobicContact CZ2-CE2 4.16Å; W158-F319 AromaticContact NE1-CE2 3.49Å; V161-F319 HydrophobicContact CG2-CD2 4.38Å; L300-F319 HydrophobicContact CB-CE1 4.4Å; L300-F319 HydrophobicContact CD2-CE1 4.12Å; L300-F319 HydrophobicContact CD2-CZ 3.98Å; S304-F319 VanDerWaalsContact CB-CG 3.48Å; L308-F319 HydrophobicContact CD1-CB 4.27Å |
| 320 | P | 91.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 76.1 Ų | 76.1 | 2% | 0.019 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 145.4 | -174.3 | 9.2 | -14.3 | 0 | 0 | 0 | 112 | N157 R160 V172 H318 | N157-P320 HydrophobicContact CB-CG 3.79Å; N157-P320 PolarHBondContact ND2-O 2.91Å; R160-P320 HydrophobicContact CB-CG 4.34Å; V172-P320 HydrophobicContact CB-CB 4.17Å; V172-P320 HydrophobicContact CB-CG 3.94Å; H318-P320 WeakPolarHBondContact O-CD 3.5Å |
| 321 | E | 87.5 | Confident | 89.9 | Confident | 162 Ų | 162 | 74 Ų | 74 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -62 | 162.2 | 174.2 | -68.9 | -164.7 | 172.2 | 0 | 0 | 112 | N157 Q323 | N157-E321 PolarHBondContact ND2-O 3.22Å; E321-Q323 PolarHBondContact O-N 2.92Å |
| 322 | R | 84.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 79.8 Ų | 79.8 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 124.9 | 174.5 | -174.6 | -179.8 | 64 | 69 | -0.9 | 109.2 | T324 Y326 | R322-T324 PolarHBondContact O-N 3.16Å; R322-Y326 HydrophobicContact CG-CD1 4Å; R322-Y326 PolarHBondContact NH1-O 3.16Å |
| 323 | Q | 79.4 | Confident | 89.5 | Confident | 37 Ų | 37 | 79 Ų | 79 | 17% | 0.173 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -55.1 | 134 | 175.6 | -62 | -67.7 | -38.8 | 0 | 0 | 111.6 | E321 W325 Y326 | E321-Q323 PolarHBondContact O-N 2.92Å; Q323-W325 VanDerWaalsContact C-N 3.3Å; Q323-W325 HydrophobicContact CB-CD2 4.32Å; Q323-W325 HydrophobicContact CB-CZ2 4.02Å; Q323-W325 HydrophobicContact CG-CZ2 4.19Å; Q323-W325 PolarHBondContact O-N 3.18Å; Q323-Y326 WeakPolarHBondContact O-CB 3.31Å; Q323-Y326 PolarHBondContact O-N 3.25Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å |
| 324 | T | 81.1 | Confident | 89.4 | Confident | 135 Ų | 135 | 79.2 Ų | 79.2 | 83% | 0.828 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -33.2 | -171.4 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | R322 Y326 | R322-T324 PolarHBondContact O-N 3.16Å; T324-Y326 VanDerWaalsContact C-N 3.3Å; T324-Y326 PolarHBondContact O-N 3.03Å |
| 325 | W | 76.8 | Confident | 89.4 | Confident | 161 Ų | 161 | 80.2 Ų | 80.2 | 61% | 0.61 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -17.4 | 178.5 | 54.2 | -97.4 | 0 | 0 | 0 | 113.8 | Q323 K327 | Q323-W325 VanDerWaalsContact C-N 3.3Å; Q323-W325 HydrophobicContact CB-CD2 4.32Å; Q323-W325 HydrophobicContact CB-CZ2 4.02Å; Q323-W325 HydrophobicContact CG-CZ2 4.19Å; Q323-W325 PolarHBondContact O-N 3.18Å; W325-K327 PolarHBondContact O-N 3.16Å |
| 326 | Y | 80.6 | Confident | 89.5 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | trans | -75.4 | 124.7 | 178.8 | 175.5 | -94.5 | 0 | 0 | 0 | 110.6 | S217 R322 Q323 T324 P328 | S217-Y326 PolarHBondContact OG-OH 3.3Å; R322-Y326 HydrophobicContact CG-CD1 4Å; R322-Y326 PolarHBondContact NH1-O 3.16Å; Q323-Y326 WeakPolarHBondContact O-CB 3.31Å; Q323-Y326 PolarHBondContact O-N 3.25Å; Q323-Y326 VanDerWaalsContact O-N 3.11Å; T324-Y326 VanDerWaalsContact C-N 3.3Å; T324-Y326 PolarHBondContact O-N 3.03Å; Y326-P328 HydrophobicContact CE1-CB 4.03Å; Y326-P328 WeakPolarHBondContact O-CD 3.38Å | ||
| 327 | K | 84.4 | Confident | 89.6 | Confident | 151 Ų | 151 | 75.2 Ų | 75.2 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | trans | -96 | 107.6 | 176.5 | -64 | -177.8 | -177.4 | 178.6 | 0 | 110.2 | W325 | W325-K327 PolarHBondContact O-N 3.16Š| ||
| 328 | P | 87.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 75.1 Ų | 75.1 | 31% | 0.312 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 157.2 | -179.9 | 27.2 | -33.5 | 0 | 0 | 0 | 111.9 | R220 Y326 | R220-P328 PolarHBondContact NH1-O 3.04Å; Y326-P328 HydrophobicContact CE1-CB 4.03Å; Y326-P328 WeakPolarHBondContact O-CD 3.38Å |
| 329 | V | 91 | Very high | 89.6 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 6% | 0.061 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 125.2 | 162.3 | 174.8 | 0 | 0 | 0 | 0 | 107.1 | E213 L216 L334 | E213-V329 HydrophobicContact CG-CG1 4.26Å; L216-V329 HydrophobicContact CB-CG2 4.26Å; L216-V329 HydrophobicContact CD2-CG1 3.77Å; L216-V329 HydrophobicContact CD2-CG2 4.36Å; L216-V329 HydrophobicContact CG-CG1 4.33Å; L216-V329 HydrophobicContact CG-CG2 4.05Å; V329-L334 HydrophobicContact CG1-CB 4.04Å |
| 330 | T | 92.6 | Very high | 89.6 | Confident | 57 Ų | 57 | 74.7 Ų | 74.7 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -97 | 161.2 | 172.6 | 70.9 | 0 | 0 | 0 | 0 | 110 | Q332 T333 L334 | T330-Q332 PolarHBondContact O-N 2.97Å; T330-Q332 PolarHBondContact OG1-OE1 3.39Å; T330-T333 PolarHBondContact O-N 3.02Å; T330-T333 VanDerWaalsContact O-N 3.08Å; T330-T333 PolarHBondContact OG1-N 2.93Å; T330-T333 VanDerWaalsContact OG1-N 3.12Å; T330-T333 PolarHBondContact OG1-OG1 3.44Å; T330-L334 PolarHBondContact O-N 2.99Å |
| 331 | T | 91.3 | Very high | 89.8 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 63% | 0.626 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54.8 | -41.2 | 174.3 | -48.4 | 0 | 0 | 0 | 0 | 112 | L334 H335 | T331-L334 PolarHBondContact O-N 3.5Å; T331-H335 VanDerWaalsContact O-CB 3.28Å; T331-H335 WeakPolarHBondContact O-CB 3.14Å; T331-H335 PolarHBondContact O-N 2.82Å |
| 332 | Q | 93.1 | Very high | 90.1 | Very high | 141 Ų | 141 | 70.3 Ų | 70.3 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 177.8 | -58.5 | 80.1 | 7.2 | 0 | 0 | 111.7 | T330 H335 Y336 | T330-Q332 PolarHBondContact O-N 2.97Å; T330-Q332 PolarHBondContact OG1-OE1 3.39Å; Q332-H335 PolarHBondContact O-N 2.85Å; Q332-Y336 WeakPolarHBondContact O-CB 3.14Å; Q332-Y336 PolarHBondContact O-N 3.46Å |
| 333 | T | 94.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65 | -46.3 | 177.6 | -52 | 0 | 0 | 0 | 0 | 110 | L216 T330 H335 Y336 Y337 | L216-T333 HydrophobicContact CD2-CG2 4.31Å; T330-T333 PolarHBondContact O-N 3.02Å; T330-T333 VanDerWaalsContact O-N 3.08Å; T330-T333 PolarHBondContact OG1-N 2.93Å; T330-T333 VanDerWaalsContact OG1-N 3.12Å; T330-T333 PolarHBondContact OG1-OG1 3.44Å; T333-H335 PolarHBondContact O-N 3.35Å; T333-Y336 PolarHBondContact O-N 2.95Å; T333-Y337 HydrophobicContact CG2-CD2 3.88Å; T333-Y337 HydrophobicContact CG2-CE2 3.8Å; T333-Y337 VanDerWaalsContact O-CD2 3.27Å; T333-Y337 WeakPolarHBondContact O-CD2 3.46Å; T333-Y337 PolarHBondContact O-N 3.18Å; T333-Y337 VanDerWaalsContact O-N 3.13Å |
| 334 | L | 95.6 | Very high | 91.2 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 12% | 0.115 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 176.9 | -179.5 | 66.6 | 0 | 0 | 0 | 111.4 | M212 E213 L216 V329 T330 T331 Y336 Y337 L338 | M212-L334 HydrophobicContact CB-CD1 3.89Å; E213-L334 HydrophobicContact CG-CD2 3.71Å; L216-L334 HydrophobicContact CB-CD1 4.43Å; L216-L334 HydrophobicContact CD2-CB 4.32Å; L216-L334 HydrophobicContact CD2-CD1 3.91Å; V329-L334 HydrophobicContact CG1-CB 4.04Å; T330-L334 PolarHBondContact O-N 2.99Å; T331-L334 PolarHBondContact O-N 3.5Å; L334-Y336 PolarHBondContact O-N 3.24Å; L334-Y337 PolarHBondContact O-N 3.33Å; L334-L338 HydrophobicContact CD1-CD1 3.83Å; L334-L338 HydrophobicContact CD1-CD2 4.48Å; L334-L338 HydrophobicContact CD1-CG 3.9Å; L334-L338 HydrophobicContact CD2-CD1 4.27Å; L334-L338 HydrophobicContact CG-CD1 3.81Å; L334-L338 HydrophobicContact CG-CG 4.19Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.99Å |
| 335 | H | 94.7 | Very high | 91.9 | Very high | 47 Ų | 47 | 66.7 Ų | 66.7 | 22% | 0.218 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.1 | -50.6 | 177.7 | 178.7 | -91.7 | 0 | 0 | 0 | 111.5 | T331 Q332 T333 Y337 L338 C339 H371 H374 | T331-H335 VanDerWaalsContact O-CB 3.28Å; T331-H335 WeakPolarHBondContact O-CB 3.14Å; T331-H335 PolarHBondContact O-N 2.82Å; Q332-H335 PolarHBondContact O-N 2.85Å; T333-H335 PolarHBondContact O-N 3.35Å; H335-Y337 PolarHBondContact O-N 3.11Å; H335-L338 PolarHBondContact O-N 3.1Å; H335-C339 PolarHBondContact NE2-SG 3.16Å; H335-C339 VanDerWaalsContact NE2-SG 3.42Å; H335-C339 WeakPolarHBondContact O-CB 3.37Å; H335-C339 PolarHBondContact O-N 3.37Å; H335-C339 PolarHBondContact O-SG 2.92Å; H335-H371 AromaticContact CD2-CD2 3.65Å; H335-H371 AromaticContact CD2-NE2 3.34Å; H335-H371 PolarHBondContact CD2-NE2 3.26Å; H335-H371 VanDerWaalsContact CD2-NE2 3.34Å; H335-H371 AromaticContact NE2-CD2 3.66Å; H335-H371 AromaticContact NE2-NE2 3.72Å; H335-H371 PolarHBondContact NE2-O 3.18Å; H335-H374 AromaticContact CE1-CE1 3.58Å; H335-H374 AromaticContact ND1-CE1 3.67Å |
| 336 | Y | 95.1 | Very high | 92.7 | Very high | 129 Ų | 129 | 59 Ų | 59 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.7 | -50.8 | 176.7 | 173.6 | -97 | 0 | 0 | 0 | 112.4 | Q332 T333 L334 L338 T340 | Q332-Y336 WeakPolarHBondContact O-CB 3.14Å; Q332-Y336 PolarHBondContact O-N 3.46Å; T333-Y336 PolarHBondContact O-N 2.95Å; L334-Y336 PolarHBondContact O-N 3.24Å; Y336-L338 PolarHBondContact O-N 3.39Å; Y336-T340 HydrophobicContact CD2-CG2 4.01Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.49Å; Y336-T340 WeakPolarHBondContact O-CB 3.43Å; Y336-T340 VanDerWaalsContact O-CG2 3.22Å; Y336-T340 WeakPolarHBondContact O-CG2 3.29Å; Y336-T340 PolarHBondContact O-N 3.36Å; Y336-T340 PolarHBondContact O-OG1 3.03Å |
| 337 | Y | 96.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.4 | -37.8 | -177.9 | -84.2 | -79.9 | 0 | 0 | 0 | 113 | L216 Y219 F258 T333 L334 H335 T340 L341 | L216-Y337 HydrophobicContact CD1-CD1 4.04Å; L216-Y337 HydrophobicContact CD1-CD2 3.62Å; L216-Y337 HydrophobicContact CD1-CE1 4.34Å; L216-Y337 HydrophobicContact CD1-CE2 3.96Å; L216-Y337 HydrophobicContact CD1-CG 3.66Å; L216-Y337 HydrophobicContact CD2-CD2 3.72Å; L216-Y337 HydrophobicContact CD2-CE2 4.5Å; L216-Y337 HydrophobicContact CD2-CG 4.11Å; L216-Y337 HydrophobicContact CG-CD2 4.29Å; Y219-Y337 AromaticContact CE1-CE1 3.94Å; Y219-Y337 HydrophobicContact CE1-CE1 3.94Å; F258-Y337 HydrophobicContact CB-CD1 3.56Å; F258-Y337 HydrophobicContact CB-CE1 3.75Å; F258-Y337 AromaticContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CD1 3.75Å; F258-Y337 HydrophobicContact CD1-CG 4.36Å; F258-Y337 HydrophobicContact CD2-CD1 4.37Å; F258-Y337 AromaticContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CD1 3.64Å; F258-Y337 HydrophobicContact CG-CE1 4.24Å; T333-Y337 HydrophobicContact CG2-CD2 3.88Å; T333-Y337 HydrophobicContact CG2-CE2 3.8Å; T333-Y337 VanDerWaalsContact O-CD2 3.27Å; T333-Y337 WeakPolarHBondContact O-CD2 3.46Å; T333-Y337 PolarHBondContact O-N 3.18Å; T333-Y337 VanDerWaalsContact O-N 3.13Å; L334-Y337 PolarHBondContact O-N 3.33Å; H335-Y337 PolarHBondContact O-N 3.11Å; Y337-T340 PolarHBondContact O-OG1 3.11Å; Y337-L341 WeakPolarHBondContact O-CB 3.32Å; Y337-L341 PolarHBondContact O-N 3.09Å |
| 338 | L | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -39 | 178.5 | -67.3 | -175.7 | 0 | 0 | 0 | 112.2 | M212 L334 H335 Y336 L341 L346 P365 T367 | M212-L338 HydrophobicContact CB-CD1 4.2Å; M212-L338 HydrophobicContact CB-CD2 4.32Å; M212-L338 HydrophobicContact CG-CD1 4.34Å; M212-L338 HydrophobicContact CG-CD2 4.28Å; M212-L338 HydrophobicContact SD-CD2 4.34Å; L334-L338 HydrophobicContact CD1-CD1 3.83Å; L334-L338 HydrophobicContact CD1-CD2 4.48Å; L334-L338 HydrophobicContact CD1-CG 3.9Å; L334-L338 HydrophobicContact CD2-CD1 4.27Å; L334-L338 HydrophobicContact CG-CD1 3.81Å; L334-L338 HydrophobicContact CG-CG 4.19Å; L334-L338 WeakPolarHBondContact O-CG 3.34Å; L334-L338 PolarHBondContact O-N 2.99Å; H335-L338 PolarHBondContact O-N 3.1Å; Y336-L338 PolarHBondContact O-N 3.39Å; L338-L341 PolarHBondContact O-N 2.81Å; L338-L346 HydrophobicContact CD2-CD1 4.08Å; L338-P365 HydrophobicContact CD1-CB 3.73Å; L338-P365 HydrophobicContact CD1-CG 4.29Å; L338-T367 HydrophobicContact CB-CG2 4.13Å |
| 339 | C | 94.5 | Very high | 94.3 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 14% | 0.142 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77.5 | -25.5 | -179.1 | -74 | 0 | 0 | 0 | 0 | 113.8 | H335 C372 | H335-C339 PolarHBondContact NE2-SG 3.16Å; H335-C339 VanDerWaalsContact NE2-SG 3.42Å; H335-C339 WeakPolarHBondContact O-CB 3.37Å; H335-C339 PolarHBondContact O-N 3.37Å; H335-C339 PolarHBondContact O-SG 2.92Å; C339-C372 WeakPolarHBondContact CA-SG 3.3Å; C339-C372 HydrophobicContact CB-CB 3.48Å; C339-C372 VanDerWaalsContact CB-CB 3.48Å; C339-C372 WeakPolarHBondContact CB-SG 3.41Å; C339-C372 WeakPolarHBondContact SG-CA 3.36Å; C339-C372 WeakPolarHBondContact SG-CB 3.26Å; C339-C372 CovalentContact SG-SG 2.04Å; C339-C372 PolarHBondContact SG-SG 3.19Å |
| 340 | T | 93.9 | Very high | 94.5 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -83.4 | -15.6 | 173.2 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | Y336 Y337 | Y336-T340 HydrophobicContact CD2-CG2 4.01Å; Y336-T340 HydrophobicContact CE2-CG2 3.76Å; Y336-T340 HydrophobicContact CG-CG2 4.49Å; Y336-T340 WeakPolarHBondContact O-CB 3.43Å; Y336-T340 VanDerWaalsContact O-CG2 3.22Å; Y336-T340 WeakPolarHBondContact O-CG2 3.29Å; Y336-T340 PolarHBondContact O-N 3.36Å; Y336-T340 PolarHBondContact O-OG1 3.03Å; Y337-T340 PolarHBondContact O-OG1 3.11Å |
| 341 | L | 95.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -71.3 | 134.8 | 177.8 | -170.5 | 69.9 | 0 | 0 | 0 | 110.4 | F258 V262 Y337 L338 Q343 L345 L346 | F258-L341 HydrophobicContact CD1-CD1 4.23Å; F258-L341 HydrophobicContact CE1-CD1 4.45Å; F258-L341 HydrophobicContact CE1-CD2 4.27Å; V262-L341 HydrophobicContact CB-CD1 4.21Å; V262-L341 HydrophobicContact CG1-CD1 4.48Å; V262-L341 HydrophobicContact CG1-CD2 4.22Å; V262-L341 HydrophobicContact CG2-CD1 4.1Å; V262-L341 HydrophobicContact CG2-CD2 4.06Å; Y337-L341 WeakPolarHBondContact O-CB 3.32Å; Y337-L341 PolarHBondContact O-N 3.09Å; L338-L341 PolarHBondContact O-N 2.81Å; L341-Q343 PolarHBondContact O-N 3.08Å; L341-L345 HydrophobicContact CD1-CB 4.36Å; L341-L345 HydrophobicContact CD1-CD1 4.07Å; L341-L345 HydrophobicContact CD2-CB 4.35Å; L341-L345 HydrophobicContact CG-CB 4.21Å; L341-L346 HydrophobicContact CD2-CB 4.02Å; L341-L346 HydrophobicContact CD2-CD1 4.27Å |
| 342 | P | 94.8 | Very high | 94.9 | Very high | 65 Ų | 65 | 57.6 Ų | 57.6 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | trans | -53.2 | 126 | 172.9 | -27.4 | 34.4 | 0 | 0 | 0 | 111.4 | K344 L345 L346 | P342-K344 PolarHBondContact O-N 3.41Å; P342-L345 HydrophobicContact CB-CD1 4.34Å; P342-L345 HydrophobicContact CB-CG 4.26Å; P342-L345 HydrophobicContact CG-CD1 4.15Å; P342-L345 WeakPolarHBondContact O-CB 3.4Å; P342-L345 PolarHBondContact O-N 3.47Å; P342-L346 PolarHBondContact O-N 3.28Å | ||
| 343 | Q | 91.6 | Very high | 95.2 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.4 | -34 | -174.6 | -73.2 | -71.4 | -31.8 | 0 | 0 | 113.6 | L341 L346 R347 T367 | L341-Q343 PolarHBondContact O-N 3.08Å; Q343-L346 PolarHBondContact O-N 3.09Å; Q343-R347 VanDerWaalsContact O-CG 3.31Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 2.81Å; Q343-T367 PolarHBondContact NE2-O 2.74Å; Q343-T367 VanDerWaalsContact NE2-O 3.08Å |
| 344 | K | 93.9 | Very high | 95.2 | Very high | 145 Ų | 145 | 50.7 Ų | 50.7 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59 | -48.6 | 174 | -178.5 | 178.4 | 174.7 | -178.4 | 0 | 112.1 | P342 L346 R347 E348 | P342-K344 PolarHBondContact O-N 3.41Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.31Å; K344-R347 PolarHBondContact O-N 3.14Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 WeakPolarHBondContact CG-OE1 3.31Å; K344-E348 IonicContact NZ-OE1 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 2.82Å; K344-E348 VanDerWaalsContact O-N 3.14Å |
| 345 | L | 96.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 9% | 0.094 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -40.7 | -179.4 | -63.2 | -178 | 0 | 0 | 0 | 111.2 | V262 R263 L266 L341 P342 E348 L349 | V262-L345 HydrophobicContact CG1-CB 3.98Å; R263-L345 HydrophobicContact CG-CD1 3.86Å; R263-L345 HydrophobicContact CG-CD2 3.74Å; R263-L345 HydrophobicContact CG-CG 4.49Å; L266-L345 HydrophobicContact CD1-CB 4.42Å; L266-L345 HydrophobicContact CD1-CD2 3.63Å; L341-L345 HydrophobicContact CD1-CB 4.36Å; L341-L345 HydrophobicContact CD1-CD1 4.07Å; L341-L345 HydrophobicContact CD2-CB 4.35Å; L341-L345 HydrophobicContact CG-CB 4.21Å; P342-L345 HydrophobicContact CB-CD1 4.34Å; P342-L345 HydrophobicContact CB-CG 4.26Å; P342-L345 HydrophobicContact CG-CD1 4.15Å; P342-L345 WeakPolarHBondContact O-CB 3.4Å; P342-L345 PolarHBondContact O-N 3.47Å; L345-E348 PolarHBondContact O-N 3.01Å; L345-L349 VanDerWaalsContact O-CB 3.26Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å |
| 346 | L | 94.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.7 | -45.3 | 178 | -175.5 | 61.9 | 0 | 0 | 0 | 111.9 | L338 L341 P342 Q343 K344 E348 L349 L350 T367 | L338-L346 HydrophobicContact CD2-CD1 4.08Å; L341-L346 HydrophobicContact CD2-CB 4.02Å; L341-L346 HydrophobicContact CD2-CD1 4.27Å; P342-L346 PolarHBondContact O-N 3.28Å; Q343-L346 PolarHBondContact O-N 3.09Å; K344-L346 VanDerWaalsContact C-N 3.32Å; K344-L346 PolarHBondContact O-N 3.31Å; L346-E348 PolarHBondContact O-N 3.11Å; L346-L349 PolarHBondContact O-N 3.07Å; L346-L349 VanDerWaalsContact O-N 3.11Å; L346-L350 HydrophobicContact CD1-CD2 4.25Å; L346-L350 HydrophobicContact CD1-CG 4.14Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CG 3Å; L346-L350 PolarHBondContact O-N 3.13Å; L346-T367 HydrophobicContact CD2-CG2 3.37Å; L346-T367 VanDerWaalsContact CD2-OG1 3.29Å; L346-T367 WeakPolarHBondContact CD2-OG1 3.45Å |
| 347 | R | 92.9 | Very high | 95.6 | Very high | 178 Ų | 178 | 42.3 Ų | 42.3 | 67% | 0.672 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -60.7 | -32.5 | 177.7 | -73.3 | 176.3 | -169.1 | 171.9 | 2.5 | 113 | Q343 K344 P351 | Q343-R347 VanDerWaalsContact O-CG 3.31Å; Q343-R347 WeakPolarHBondContact O-CG 3.45Å; Q343-R347 PolarHBondContact O-N 2.81Å; K344-R347 PolarHBondContact O-N 3.14Å; R347-P351 WeakPolarHBondContact O-CD 3.4Å; R347-P351 VanDerWaalsContact O-CG 3.32Å; R347-P351 WeakPolarHBondContact O-CG 3.41Å |
| 348 | E | 95.6 | Very high | 95.5 | Very high | 88 Ų | 88 | 41.5 Ų | 41.5 | 41% | 0.411 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -81.6 | -28 | 176 | -69.6 | 171.7 | -161 | 0 | 0 | 112.3 | L266 K344 L345 L346 P351 | L266-E348 HydrophobicContact CD1-CB 3.92Å; L266-E348 HydrophobicContact CD2-CB 3.8Å; K344-E348 WeakPolarHBondContact CE-OE1 3.49Å; K344-E348 WeakPolarHBondContact CG-OE1 3.31Å; K344-E348 IonicContact NZ-OE1 2.93Å; K344-E348 WeakPolarHBondContact O-CG 3.33Å; K344-E348 PolarHBondContact O-N 2.82Å; K344-E348 VanDerWaalsContact O-N 3.14Å; L345-E348 PolarHBondContact O-N 3.01Å; L346-E348 PolarHBondContact O-N 3.11Å; E348-P351 WeakPolarHBondContact O-CD 3.3Å |
| 349 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -75 | -46.4 | 180 | -176.7 | 67.6 | 0 | 0 | 0 | 112.5 | M212 L215 V262 L265 L266 L345 L346 K352 Y353 | M212-L349 HydrophobicContact SD-CD2 4.17Å; L215-L349 HydrophobicContact CD2-CD1 4.34Å; L215-L349 HydrophobicContact CD2-CD2 3.92Å; V262-L349 HydrophobicContact CG1-CB 4.27Å; V262-L349 HydrophobicContact CG1-CD1 4.25Å; V262-L349 HydrophobicContact CG1-CD2 3.99Å; V262-L349 HydrophobicContact CG1-CG 4.41Å; V262-L349 HydrophobicContact CG2-CD2 3.98Å; L265-L349 HydrophobicContact CB-CD1 4.34Å; L265-L349 HydrophobicContact CD1-CD1 4.25Å; L266-L349 HydrophobicContact CD2-CB 4.16Å; L266-L349 HydrophobicContact CD2-CD1 4.35Å; L345-L349 VanDerWaalsContact O-CB 3.26Å; L345-L349 WeakPolarHBondContact O-CB 3.41Å; L345-L349 PolarHBondContact O-N 3.17Å; L346-L349 PolarHBondContact O-N 3.07Å; L346-L349 VanDerWaalsContact O-N 3.11Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 2.88Å; L349-Y353 HydrophobicContact CD1-CD2 4.29Å; L349-Y353 HydrophobicContact CD1-CE2 3.74Å; L349-Y353 HydrophobicContact CG-CD2 4.44Å; L349-Y353 HydrophobicContact CG-CE2 4.31Å |
| 350 | L | 96.1 | Very high | 95.5 | Very high | 26 Ų | 26 | 40.2 Ų | 40.2 | 14% | 0.136 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -43.6 | -176 | -67.2 | 174.2 | 0 | 0 | 0 | 113.3 | M212 L346 K352 Y353 I354 F357 P365 | M212-L350 HydrophobicContact SD-CD2 4.15Å; L346-L350 HydrophobicContact CD1-CD2 4.25Å; L346-L350 HydrophobicContact CD1-CG 4.14Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CG 4.34Å; L346-L350 WeakPolarHBondContact O-CG 3Å; L346-L350 PolarHBondContact O-N 3.13Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.18Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 PolarHBondContact O-N 3.22Å; L350-I354 PolarHBondContact O-N 3.11Å; L350-I354 VanDerWaalsContact O-N 3.12Å; L350-F357 HydrophobicContact CD2-CE2 3.99Å; L350-F357 HydrophobicContact CD2-CZ 4.01Å; L350-P365 HydrophobicContact CD1-CG 4.42Å; L350-P365 HydrophobicContact CD2-CG 3.71Å |
| 351 | P | 96.1 | Very high | 95.6 | Very high | 37 Ų | 37 | 38.3 Ų | 38.3 | 24% | 0.24 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.5 | -33.1 | 174.8 | -28.1 | 35.7 | 0 | 0 | 0 | 115 | L58 R347 E348 Y353 I354 | L58-P351 HydrophobicContact CD1-CB 3.51Å; R347-P351 WeakPolarHBondContact O-CD 3.4Å; R347-P351 VanDerWaalsContact O-CG 3.32Å; R347-P351 WeakPolarHBondContact O-CG 3.41Å; E348-P351 WeakPolarHBondContact O-CD 3.3Å; P351-Y353 PolarHBondContact O-N 2.89Å; P351-I354 VanDerWaalsContact O-CG2 3.24Å; P351-I354 WeakPolarHBondContact O-CG2 3.36Å; P351-I354 PolarHBondContact O-N 2.93Å |
| 352 | K | 96.6 | Very high | 95.6 | Very high | 53 Ų | 53 | 39.3 Ų | 39.3 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -25.7 | 177.2 | -71.1 | -164.5 | -173.8 | -104.4 | 0 | 113.2 | L265 L266 E268 V270 M273 P279 L349 L350 | L265-K352 WeakPolarHBondContact O-CE 3.3Å; L265-K352 PolarHBondContact O-NZ 3.37Å; L265-K352 VanDerWaalsContact O-NZ 3.14Å; L266-K352 VanDerWaalsContact CA-CE 3.46Å; L266-K352 VanDerWaalsContact O-CE 3.26Å; L266-K352 WeakPolarHBondContact O-CE 3.34Å; L266-K352 PolarHBondContact O-NZ 3.12Å; E268-K352 PolarHBondContact O-NZ 3.19Å; V270-K352 HydrophobicContact CG2-CB 4.36Å; V270-K352 HydrophobicContact CG2-CD 4.1Å; V270-K352 HydrophobicContact CG2-CG 4.25Å; M273-K352 HydrophobicContact CE-CD 3.8Å; P279-K352 WeakPolarHBondContact CG-O 3.23Å; L349-K352 WeakPolarHBondContact O-CB 3.42Å; L349-K352 PolarHBondContact O-N 2.88Å; L350-K352 VanDerWaalsContact C-N 3.26Å; L350-K352 PolarHBondContact O-N 3.18Å |
| 353 | Y | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 9.2 | -179.4 | -63.7 | -89.3 | 0 | 0 | 0 | 112.7 | M212 L215 W277 P279 L349 L350 P351 L355 D356 F357 | M212-Y353 HydrophobicContact CE-CD2 4.01Å; M212-Y353 HydrophobicContact CE-CG 4.13Å; L215-Y353 WeakPolarHBondContact CD1-OH 3.44Å; L215-Y353 HydrophobicContact CD2-CE2 4.16Å; W277-Y353 VanDerWaalsContact O-CE1 3.26Å; W277-Y353 WeakPolarHBondContact O-CE1 3.15Å; W277-Y353 PolarHBondContact O-OH 3.5Å; P279-Y353 HydrophobicContact CB-CD1 3.92Å; P279-Y353 HydrophobicContact CB-CE1 4.22Å; P279-Y353 HydrophobicContact CG-CD1 3.77Å; P279-Y353 HydrophobicContact CG-CE1 3.78Å; P279-Y353 HydrophobicContact CG-CG 4.44Å; L349-Y353 HydrophobicContact CD1-CD2 4.29Å; L349-Y353 HydrophobicContact CD1-CE2 3.74Å; L349-Y353 HydrophobicContact CG-CD2 4.44Å; L349-Y353 HydrophobicContact CG-CE2 4.31Å; L350-Y353 CarbonylContact O-C 3.59Å; L350-Y353 PolarHBondContact O-N 3.22Å; P351-Y353 PolarHBondContact O-N 2.89Å; Y353-L355 PolarHBondContact O-N 2.9Å; Y353-L355 VanDerWaalsContact O-N 3.13Å; Y353-D356 WeakPolarHBondContact O-CB 3.41Å; Y353-D356 PolarHBondContact O-N 3.38Å; Y353-F357 VanDerWaalsContact O-CD2 3.3Å; Y353-F357 WeakPolarHBondContact O-CD2 3.38Å; Y353-F357 PolarHBondContact O-N 3.4Å |
| 354 | I | 96.4 | Very high | 95.7 | Very high | 31 Ų | 31 | 42.3 Ų | 42.3 | 16% | 0.159 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.3 | -32.8 | -170.5 | -165.8 | 59 | 0 | 0 | 0 | 113.6 | L350 P351 D356 F357 S358 L364 | L350-I354 PolarHBondContact O-N 3.11Å; L350-I354 VanDerWaalsContact O-N 3.12Å; P351-I354 VanDerWaalsContact O-CG2 3.24Å; P351-I354 WeakPolarHBondContact O-CG2 3.36Å; P351-I354 PolarHBondContact O-N 2.93Å; I354-D356 VanDerWaalsContact C-N 3.34Å; I354-F357 PolarHBondContact O-N 3.08Å; I354-S358 WeakPolarHBondContact O-CB 3.45Å; I354-S358 PolarHBondContact O-N 3.02Å; I354-S358 PolarHBondContact O-OG 3.12Å; I354-L364 HydrophobicContact CD1-CD2 4.13Å |
| 355 | L | 96.3 | Very high | 95.7 | Very high | 18 Ų | 18 | 36.6 Ų | 36.6 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69 | -32.8 | 176.6 | -69.4 | 179.9 | 0 | 0 | 0 | 112 | M64 M112 Y281 Y353 S358 L359 | M64-L355 HydrophobicContact CE-CD2 4.29Å; M112-L355 HydrophobicContact CE-CD2 3.94Å; Y281-L355 HydrophobicContact CD1-CB 4.48Å; Y281-L355 HydrophobicContact CD1-CD1 3.56Å; Y281-L355 HydrophobicContact CD2-CB 4.39Å; Y281-L355 HydrophobicContact CD2-CD1 4.13Å; Y281-L355 HydrophobicContact CE1-CD1 3.63Å; Y281-L355 HydrophobicContact CE2-CD1 4.17Å; Y281-L355 HydrophobicContact CG-CB 4.04Å; Y281-L355 HydrophobicContact CG-CD1 3.83Å; Y353-L355 PolarHBondContact O-N 2.9Å; Y353-L355 VanDerWaalsContact O-N 3.13Å; L355-S358 PolarHBondContact O-N 3.35Å; L355-L359 HydrophobicContact CB-CD1 4.23Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.23Å |
| 356 | D | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.3 | -43.5 | 175.4 | -65.8 | -7.4 | 0 | 0 | 0 | 110.5 | P211 P279 I280 Y281 Y353 I354 F360 | P211-D356 HydrophobicContact CB-CB 4.34Å; P211-D356 HydrophobicContact CG-CB 3.68Å; P279-D356 VanDerWaalsContact CA-OD2 3.3Å; P279-D356 WeakPolarHBondContact CA-OD2 3.39Å; P279-D356 WeakPolarHBondContact CB-OD2 3.43Å; I280-D356 VanDerWaalsContact N-CG 3.28Å; I280-D356 PolarHBondContact N-OD1 3.26Å; I280-D356 VanDerWaalsContact N-OD1 3.08Å; I280-D356 PolarHBondContact N-OD2 2.91Å; Y281-D356 WeakPolarHBondContact CB-OD1 3.42Å; Y281-D356 PolarHBondContact N-OD1 3.49Å; Y353-D356 WeakPolarHBondContact O-CB 3.41Å; Y353-D356 PolarHBondContact O-N 3.38Å; I354-D356 VanDerWaalsContact C-N 3.34Å; D356-F360 HydrophobicContact CB-CD2 4.2Å; D356-F360 HydrophobicContact CB-CE2 4.44Å; D356-F360 WeakPolarHBondContact O-CB 3.43Å; D356-F360 WeakPolarHBondContact O-CD2 3.47Å; D356-F360 PolarHBondContact O-N 3.36Å |
| 357 | F | 97.3 | Very high | 95 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60 | -50.1 | 174.5 | -71.8 | -76.5 | 0 | 0 | 0 | 111.5 | E210 P211 M212 L350 Y353 I354 A361 Y362 P363 L364 | E210-F357 VanDerWaalsContact OE1-CE1 3.22Å; E210-F357 WeakPolarHBondContact OE1-CE1 3.12Å; P211-F357 HydrophobicContact CB-CD2 4.37Å; P211-F357 HydrophobicContact CB-CE1 4.15Å; P211-F357 HydrophobicContact CB-CE2 3.85Å; P211-F357 HydrophobicContact CB-CZ 3.74Å; P211-F357 HydrophobicContact CG-CD1 3.87Å; P211-F357 HydrophobicContact CG-CD2 4.03Å; P211-F357 HydrophobicContact CG-CE1 3.79Å; P211-F357 HydrophobicContact CG-CE2 3.96Å; P211-F357 HydrophobicContact CG-CG 3.99Å; P211-F357 HydrophobicContact CG-CZ 3.85Å; M212-F357 HydrophobicContact CE-CE2 4.18Å; M212-F357 HydrophobicContact CE-CZ 4.09Å; M212-F357 HydrophobicContact CG-CZ 4.02Å; L350-F357 HydrophobicContact CD2-CE2 3.99Å; L350-F357 HydrophobicContact CD2-CZ 4.01Å; Y353-F357 VanDerWaalsContact O-CD2 3.3Å; Y353-F357 WeakPolarHBondContact O-CD2 3.38Å; Y353-F357 PolarHBondContact O-N 3.4Å; I354-F357 PolarHBondContact O-N 3.08Å; F357-A361 PolarHBondContact O-N 3.09Å; F357-Y362 PolarHBondContact O-N 3.24Å; F357-P363 WeakPolarHBondContact CD1-O 3.43Å; F357-P363 WeakPolarHBondContact CE1-O 3.44Å; F357-L364 HydrophobicContact CB-CD2 4.26Å; F357-L364 HydrophobicContact CD1-CD2 4.08Å; F357-L364 HydrophobicContact CD2-CD2 3.85Å; F357-L364 HydrophobicContact CE1-CD2 4.36Å; F357-L364 HydrophobicContact CE2-CD2 4.15Å; F357-L364 HydrophobicContact CG-CD2 3.81Å; F357-L364 HydrophobicContact CZ-CD2 4.39Å |
| 358 | S | 94.9 | Very high | 94.7 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 25% | 0.245 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.4 | -54.2 | -172.8 | -53.5 | 0 | 0 | 0 | 0 | 112 | T108 I354 L355 F360 A361 | T108-S358 WeakPolarHBondContact CG2-O 3.07Å; I354-S358 WeakPolarHBondContact O-CB 3.45Å; I354-S358 PolarHBondContact O-N 3.02Å; I354-S358 PolarHBondContact O-OG 3.12Å; L355-S358 PolarHBondContact O-N 3.35Å; S358-F360 VanDerWaalsContact C-N 3.32Å; S358-F360 PolarHBondContact O-N 3.47Å; S358-A361 PolarHBondContact O-N 2.86Å |
| 359 | L | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -32.3 | -174.2 | -69.9 | 166.8 | 0 | 0 | 0 | 112.4 | I109 M112 Y281 P286 L355 | I109-L359 HydrophobicContact CG1-CB 4.19Å; I109-L359 HydrophobicContact CG1-CD2 4.06Å; I109-L359 WeakPolarHBondContact CG1-O 3.11Å; M112-L359 HydrophobicContact CB-CD2 3.78Å; M112-L359 HydrophobicContact CE-CD2 4.1Å; M112-L359 HydrophobicContact CE-CG 4.31Å; M112-L359 HydrophobicContact CG-CD2 4.19Å; M112-L359 HydrophobicContact SD-CD2 3.48Å; M112-L359 WeakPolarHBondContact SD-CD2 3.32Å; M112-L359 HydrophobicContact SD-CG 4.03Å; Y281-L359 HydrophobicContact CD2-CD1 3.42Å; Y281-L359 VanDerWaalsContact CD2-CD1 3.42Å; Y281-L359 HydrophobicContact CE2-CD1 3.98Å; Y281-L359 HydrophobicContact CG-CD1 4.35Å; P286-L359 HydrophobicContact CG-CD1 4.07Å; L355-L359 HydrophobicContact CB-CD1 4.23Å; L355-L359 WeakPolarHBondContact O-CB 3.47Å; L355-L359 WeakPolarHBondContact O-CG 3.41Å; L355-L359 PolarHBondContact O-N 3.23Å |
| 360 | F | 96.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -101 | 7.1 | -174.7 | -52.7 | -52 | 0 | 0 | 0 | 114.4 | R105 I109 M206 V208 I280 P286 I294 D356 S358 Y362 | R105-F360 PolarHBondContact NE-O 2.9Å; R105-F360 VanDerWaalsContact NE-O 3.15Å; R105-F360 PolarHBondContact NH2-O 2.95Å; R105-F360 VanDerWaalsContact NH2-O 3.13Å; I109-F360 HydrophobicContact CD1-CD1 4.31Å; I109-F360 HydrophobicContact CD1-CE1 4.26Å; M206-F360 HydrophobicContact CE-CE1 4.37Å; M206-F360 HydrophobicContact CE-CZ 4.03Å; V208-F360 HydrophobicContact CB-CB 4.32Å; V208-F360 HydrophobicContact CB-CD1 4.44Å; V208-F360 HydrophobicContact CB-CD2 4.31Å; V208-F360 HydrophobicContact CB-CG 4.1Å; V208-F360 HydrophobicContact CG1-CB 4.33Å; V208-F360 HydrophobicContact CG1-CD1 3.58Å; V208-F360 HydrophobicContact CG1-CD2 3.81Å; V208-F360 HydrophobicContact CG1-CE1 3.71Å; V208-F360 HydrophobicContact CG1-CE2 3.97Å; V208-F360 HydrophobicContact CG1-CG 3.63Å; V208-F360 HydrophobicContact CG1-CZ 3.9Å; V208-F360 HydrophobicContact CG2-CB 4.13Å; V208-F360 HydrophobicContact CG2-CG 4.31Å; I280-F360 HydrophobicContact CB-CE2 3.82Å; I280-F360 HydrophobicContact CG2-CE2 3.65Å; I280-F360 HydrophobicContact CG2-CZ 3.96Å; P286-F360 HydrophobicContact CG-CE1 4.35Å; P286-F360 HydrophobicContact CG-CZ 4.09Å; I294-F360 HydrophobicContact CD1-CE1 4.31Å; I294-F360 HydrophobicContact CG2-CD1 4.26Å; I294-F360 HydrophobicContact CG2-CE1 4.41Å; D356-F360 HydrophobicContact CB-CD2 4.2Å; D356-F360 HydrophobicContact CB-CE2 4.44Å; D356-F360 WeakPolarHBondContact O-CB 3.43Å; D356-F360 WeakPolarHBondContact O-CD2 3.47Å; D356-F360 PolarHBondContact O-N 3.36Å; S358-F360 VanDerWaalsContact C-N 3.32Å; S358-F360 PolarHBondContact O-N 3.47Å; F360-Y362 HydrophobicContact CB-CD2 3.77Å; F360-Y362 HydrophobicContact CB-CE2 3.66Å |
| 361 | A | 95.2 | Very high | 93.2 | Very high | 32 Ų | 32 | 46.5 Ų | 46.5 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 39.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L101 I104 F357 S358 | L101-A361 HydrophobicContact CD1-CB 3.95Å; I104-A361 HydrophobicContact CG2-CB 3.88Å; F357-A361 PolarHBondContact O-N 3.09Å; S358-A361 PolarHBondContact O-N 2.86Å |
| 362 | Y | 95.9 | Very high | 92.9 | Very high | 29 Ų | 29 | 45.8 Ų | 45.8 | 11% | 0.114 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -90.6 | 137 | 171 | -68.7 | -72 | 0 | 0 | 0 | 110.9 | V208 R209 E210 P211 E298 F357 F360 | V208-Y362 HydrophobicContact CB-CE2 4.21Å; V208-Y362 HydrophobicContact CG2-CE2 4.02Å; V208-Y362 WeakPolarHBondContact CG2-OH 3.47Å; V208-Y362 PolarHBondContact O-OH 3.02Å; R209-Y362 VanDerWaalsContact C-CE2 3.5Å; R209-Y362 VanDerWaalsContact C-OH 3.31Å; R209-Y362 WeakPolarHBondContact CA-OH 3.37Å; R209-Y362 PolarHBondContact N-OH 2.96Å; R209-Y362 WeakPolarHBondContact O-CE2 3.28Å; E210-Y362 HydrophobicContact CB-CD1 3.89Å; E210-Y362 HydrophobicContact CB-CE1 3.97Å; E210-Y362 HydrophobicContact CG-CD1 4.05Å; E210-Y362 HydrophobicContact CG-CG 4.48Å; E210-Y362 VanDerWaalsContact N-CZ 3.27Å; P211-Y362 HydrophobicContact CG-CD2 4.48Å; E298-Y362 PolarHBondContact OE2-OH 2.88Å; E298-Y362 VanDerWaalsContact OE2-OH 3.13Å; F357-Y362 PolarHBondContact O-N 3.24Å; F360-Y362 HydrophobicContact CB-CD2 3.77Å; F360-Y362 HydrophobicContact CB-CE2 3.66Å |
| 363 | P | 94.3 | Very high | 92.2 | Very high | 101 Ų | 101 | 51.8 Ų | 51.8 | 66% | 0.656 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 148.5 | 172 | 30.6 | -34.3 | 0 | 0 | 0 | 110.4 | F357 | F357-P363 WeakPolarHBondContact CD1-O 3.43Å; F357-P363 WeakPolarHBondContact CE1-O 3.44Å |
| 364 | L | 94.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 47% | 0.471 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -65 | 143.5 | 166.9 | -68.8 | 174.8 | 0 | 0 | 0 | 109.7 | I354 F357 N366 | I354-L364 HydrophobicContact CD1-CD2 4.13Å; F357-L364 HydrophobicContact CB-CD2 4.26Å; F357-L364 HydrophobicContact CD1-CD2 4.08Å; F357-L364 HydrophobicContact CD2-CD2 3.85Å; F357-L364 HydrophobicContact CE1-CD2 4.36Å; F357-L364 HydrophobicContact CE2-CD2 4.15Å; F357-L364 HydrophobicContact CG-CD2 3.81Å; F357-L364 HydrophobicContact CZ-CD2 4.39Å; L364-N366 PolarHBondContact O-N 2.82Å |
| 365 | P | 92.9 | Very high | 90.3 | Very high | 26 Ų | 26 | 62.4 Ų | 62.4 | 17% | 0.169 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 133.2 | -179.4 | 27.2 | -35.1 | 0 | 0 | 0 | 111 | M212 L338 L350 T367 | M212-P365 HydrophobicContact CG-CG 4.21Å; L338-P365 HydrophobicContact CD1-CB 3.73Å; L338-P365 HydrophobicContact CD1-CG 4.29Å; L350-P365 HydrophobicContact CD1-CG 4.42Å; L350-P365 HydrophobicContact CD2-CG 3.71Å; P365-T367 HydrophobicContact CB-CG2 4.27Å; P365-T367 PolarHBondContact O-N 3.14Å |
| 366 | N | 88.9 | Confident | 89.9 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 46% | 0.46 | 34% | 0.338 | S | S | . | . | trans | -71.6 | 114.8 | 170.7 | -174.1 | -6.5 | 0 | 0 | 0 | 108.7 | L364 T368 H371 | L364-N366 PolarHBondContact O-N 2.82Å; N366-T368 WeakPolarHBondContact OD1-CG2 3.27Å; N366-T368 PolarHBondContact OD1-N 2.57Å; N366-T368 PolarHBondContact OD1-OG1 3.12Å; N366-H371 PolarHBondContact O-CD2 2.98Å; N366-H371 PolarHBondContact O-NE2 2.82Å; N366-H371 WeakPolarHBondContact OD1-CB 3.06Å | ||
| 367 | T | 87.2 | Confident | 89.5 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | trans | -131.8 | 26.1 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | L338 Q343 L346 P365 | L338-T367 HydrophobicContact CB-CG2 4.13Å; Q343-T367 PolarHBondContact NE2-O 2.74Å; Q343-T367 VanDerWaalsContact NE2-O 3.08Å; L346-T367 HydrophobicContact CD2-CG2 3.37Å; L346-T367 VanDerWaalsContact CD2-OG1 3.29Å; L346-T367 WeakPolarHBondContact CD2-OG1 3.45Å; P365-T367 HydrophobicContact CB-CG2 4.27Å; P365-T367 PolarHBondContact O-N 3.14Å | ||
| 368 | T | 86.2 | Confident | 89 | Confident | 73 Ų | 73 | 72.1 Ų | 72.1 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | trans | -58.8 | 151.4 | 173 | 57.6 | 0 | 0 | 0 | 0 | 110.7 | N366 E370 H371 C372 | N366-T368 WeakPolarHBondContact OD1-CG2 3.27Å; N366-T368 PolarHBondContact OD1-N 2.57Å; N366-T368 PolarHBondContact OD1-OG1 3.12Å; T368-E370 PolarHBondContact O-N 2.95Å; T368-H371 PolarHBondContact O-N 3.01Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 VanDerWaalsContact OG1-CB 3.23Å; T368-H371 WeakPolarHBondContact OG1-CB 2.98Å; T368-H371 PolarHBondContact OG1-N 3.35Å; T368-C372 PolarHBondContact O-N 3.27Å | ||
| 369 | T | 83.8 | Confident | 88.7 | Confident | 106 Ų | 106 | 74.4 Ų | 74.4 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -36.2 | 177.6 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | C372 R373 | T369-C372 PolarHBondContact O-N 3.46Å; T369-R373 WeakPolarHBondContact O-CG 3.47Å; T369-R373 PolarHBondContact O-N 3.3Å |
| 370 | E | 86.7 | Confident | 88.2 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 72% | 0.715 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -46.9 | 175.4 | -176.2 | 175.4 | -170.6 | 0 | 0 | 112.1 | T368 C372 R373 | T368-E370 PolarHBondContact O-N 2.95Å; E370-C372 VanDerWaalsContact C-N 3.26Å; E370-C372 PolarHBondContact O-N 2.74Å; E370-R373 PolarHBondContact O-N 2.78Å |
| 371 | H | 87.6 | Confident | 87.7 | Confident | 80 Ų | 80 | 84.9 Ų | 84.9 | 37% | 0.37 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -28.2 | 178.4 | -171.7 | 75.2 | 0 | 0 | 0 | 113.4 | H335 N366 T368 | H335-H371 AromaticContact CD2-CD2 3.65Å; H335-H371 AromaticContact CD2-NE2 3.34Å; H335-H371 PolarHBondContact CD2-NE2 3.26Å; H335-H371 VanDerWaalsContact CD2-NE2 3.34Å; H335-H371 AromaticContact NE2-CD2 3.66Å; H335-H371 AromaticContact NE2-NE2 3.72Å; H335-H371 PolarHBondContact NE2-O 3.18Å; N366-H371 PolarHBondContact O-CD2 2.98Å; N366-H371 PolarHBondContact O-NE2 2.82Å; N366-H371 WeakPolarHBondContact OD1-CB 3.06Å; T368-H371 PolarHBondContact O-N 3.01Å; T368-H371 VanDerWaalsContact O-N 3.07Å; T368-H371 VanDerWaalsContact OG1-CB 3.23Å; T368-H371 WeakPolarHBondContact OG1-CB 2.98Å; T368-H371 PolarHBondContact OG1-N 3.35Å |
| 372 | C | 89.7 | Confident | 87.1 | Confident | 21 Ų | 21 | 89 Ų | 89 | 14% | 0.142 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 11.2 | -180 | -69.9 | 0 | 0 | 0 | 0 | 114.2 | C339 T368 T369 E370 | C339-C372 WeakPolarHBondContact CA-SG 3.3Å; C339-C372 HydrophobicContact CB-CB 3.48Å; C339-C372 VanDerWaalsContact CB-CB 3.48Å; C339-C372 WeakPolarHBondContact CB-SG 3.41Å; C339-C372 WeakPolarHBondContact SG-CA 3.36Å; C339-C372 WeakPolarHBondContact SG-CB 3.26Å; C339-C372 CovalentContact SG-SG 2.04Å; C339-C372 PolarHBondContact SG-SG 3.19Å; T368-C372 PolarHBondContact O-N 3.27Å; T369-C372 PolarHBondContact O-N 3.46Å; E370-C372 VanDerWaalsContact C-N 3.26Å; E370-C372 PolarHBondContact O-N 2.74Å |
| 373 | R | 81.3 | Confident | 86.4 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 48% | 0.481 | S | S | * | . | trans | -72.8 | 129.8 | 169.8 | -82.5 | 166.5 | -174.4 | 171.7 | 0.5 | 109.4 | T369 E370 | T369-R373 WeakPolarHBondContact O-CG 3.47Å; T369-R373 PolarHBondContact O-N 3.3Å; E370-R373 PolarHBondContact O-N 2.78Å | ||
| 374 | H | 63.4 | Low | 85.6 | Confident | 191 Ų | 191 | 93.4 Ų | 93.4 | 88% | 0.884 | 47% | 0.465 | S | S | * | . | trans | -104 | 0 | 174.6 | -70.1 | -60.8 | 0 | 0 | 0 | 110.6 | H335 | H335-H374 AromaticContact CE1-CE1 3.58Å; H335-H374 AromaticContact ND1-CE1 3.67Å |
Retrieved 374 of 374 residues in 78.7 ms
(Link to these results)