| 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 | 36.9 | Very low | 42.8 | Very low | 244 Ų | 244 | 138 Ų | 138 | 100% | 1.202 | 82% | 0.815 | S | S | * | * | 0 | 134.2 | 0 | -84.7 | 173.9 | 160.3 | 0 | 0 | 108.1 | |||||
| 2 | A | 37.9 | Very low | 42.1 | Very low | 96 Ų | 96 | 139.5 Ų | 139.5 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | trans | 66.5 | 102.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 3 | S | 40.3 | Very low | 41.1 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | 68.9 | 131.6 | 75.7 | -77.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 4 | V | 40.4 | Very low | 40.4 | Very low | 136 Ų | 136 | 137.9 Ų | 137.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | cis | -165.3 | 153.1 | 14.5 | 136.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | S | 45.2 | Very low | 39.7 | Very low | 105 Ų | 105 | 136.1 Ų | 136.1 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -71.5 | -172.9 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 6 | P | 61.7 | Low | 40.5 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | -145.5 | -176.9 | -61.5 | 45.1 | -27.8 | 0 | 0 | 0 | 115.8 | |||||
| 7 | S | 42.5 | Very low | 40 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | 80 | 159.4 | 138.2 | -68.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 8 | P | 52.2 | Low | 39.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -140.9 | 170.5 | -90.7 | 30.9 | -4 | 0 | 0 | 0 | 118.3 | |||||
| 9 | L | 37.4 | Very low | 39.5 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | trans | 21 | 123.4 | 140.4 | -118.6 | 59.7 | 0 | 0 | 0 | 121.2 | ||||
| 10 | I | 38.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 70% | 0.703 | 79% | 0.788 | S | S | * | * | 89.6 | 127.3 | 60.3 | -88.8 | 168 | 0 | 0 | 0 | 116.6 | |||||
| 11 | K | 37.8 | Very low | 39.3 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 158.4 | 119.8 | 135.7 | -96.4 | 170.9 | 178.1 | -177.8 | 0 | 110 | ||||
| 12 | Q | 33.9 | Very low | 39.1 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 73% | 0.729 | 77% | 0.771 | S | S | * | * | 52.5 | 131.9 | 51.3 | -100.6 | -175.2 | -37.8 | 0 | 0 | 112.5 | |||||
| 13 | E | 28.6 | Very low | 39 | Very low | 137 Ų | 137 | 136 Ų | 136 | 64% | 0.64 | 78% | 0.779 | S | S | * | * | cis | -177.1 | 166.9 | 16.3 | -149.8 | -175.6 | 80.2 | 0 | 0 | 110.2 | ||||
| 14 | T | 31.7 | Very low | 38.7 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 74.4 | 130.1 | 144.1 | 42.6 | 0 | 0 | 0 | 0 | 126.8 | ||||
| 15 | S | 30.2 | Very low | 38.6 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | trans | -64.5 | -161.9 | 164.9 | -45.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 16 | P | 52.2 | Low | 38 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 83% | 0.831 | 78% | 0.777 | S | S | * | * | cis | -140.7 | -168.6 | -4.6 | 37 | -12.4 | 0 | 0 | 0 | 117.4 | ||||
| 17 | S | 33.1 | Very low | 37 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | -70.4 | 160.1 | -170.3 | -42.5 | 0 | 0 | 0 | 0 | 121 | ||||
| 18 | A | 33.2 | Very low | 37.2 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 79% | 0.793 | 79% | 0.785 | S | S | * | * | trans | 176.3 | 114.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 19 | I | 36.7 | Very low | 36.9 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | 58.4 | 103.9 | 66.5 | -42.3 | -178.4 | 0 | 0 | 0 | 116.7 | |||||
| 20 | M | 37.1 | Very low | 37 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | 162.6 | 160.5 | 115.1 | -92.2 | -55.9 | 161.2 | 0 | 0 | 114.1 | |||||
| 21 | H | 37.3 | Very low | 37 | Very low | 193 Ų | 193 | 140 Ų | 140 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | 97.2 | 105.6 | -172.4 | -55.2 | 95.3 | 0 | 0 | 0 | 112.2 | ||||
| 22 | G | 32.8 | Very low | 37.1 | Very low | 72 Ų | 72 | 139.1 Ų | 139.1 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | cis | 109.3 | 79.7 | 13.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | R | 35.1 | Very low | 37.4 | Very low | 254 Ų | 254 | 139.2 Ų | 139.2 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | trans | -171.9 | 128.2 | 139.7 | -120.7 | 167.7 | 149.9 | 150.8 | -8.1 | 113.3 | ||||
| 24 | E | 35.7 | Very low | 38.1 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -86.2 | 139 | 178.1 | -168.1 | -170.6 | 165.2 | 0 | 0 | 110.3 | ||||
| 25 | V | 36.5 | Very low | 38.4 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -140 | 126.3 | 161 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | S | 33.8 | Very low | 38.5 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -66.8 | 152.6 | -173.5 | -50.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 27 | F | 40.8 | Very low | 38 | Very low | 204 Ų | 204 | 137.5 Ų | 137.5 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | -70.6 | 155.8 | 173.3 | -65.4 | -90.5 | 0 | 0 | 0 | 114.1 | ||||
| 28 | P | 47.2 | Very low | 38.3 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -114.9 | 166.5 | 142 | 35.6 | -26.2 | 0 | 0 | 0 | 112.7 | ||||
| 29 | P | 45.4 | Very low | 38.6 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -98.7 | 171.4 | -147 | 38 | -34.8 | 0 | 0 | 0 | 115.7 | ||||
| 30 | A | 39.7 | Very low | 38.8 | Very low | 90 Ų | 90 | 139.3 Ų | 139.3 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -50.7 | 139.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 31 | V | 38.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -124.3 | 121.2 | 149.4 | -178 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 32 | H | 39.4 | Very low | 38.9 | Very low | 173 Ų | 173 | 137 Ų | 137 | 80% | 0.801 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 126.8 | 177.9 | -80.2 | -94.5 | 0 | 0 | 0 | 112.7 | ||||
| 33 | H | 40.1 | Very low | 39 | Very low | 158 Ų | 158 | 138 Ų | 138 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | trans | -124.6 | 129.6 | 149.4 | -48.4 | -21.7 | 0 | 0 | 0 | 106.5 | ||||
| 34 | P | 42.9 | Very low | 39 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -73 | 137.2 | -169.3 | 29.5 | -32.7 | 0 | 0 | 0 | 110.3 | S36 | P34-S36 PolarHBondContact O-N 3.14Å; P34-S36 VanDerWaalsContact O-N 3.14Å | ||
| 35 | P | 38.4 | Very low | 39 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -65.4 | 116.8 | 155.5 | 27.3 | -27.8 | 0 | 0 | 0 | 106.6 | S37 | P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.13Å | ||
| 36 | S | 33 | Very low | 38.8 | Very low | 106 Ų | 106 | 125.3 Ų | 125.3 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | trans | -38 | 120.3 | 169.2 | -169.9 | 0 | 0 | 0 | 0 | 109.6 | P34 Q38 | P34-S36 PolarHBondContact O-N 3.14Å; P34-S36 VanDerWaalsContact O-N 3.14Å; S36-Q38 VanDerWaalsContact C-N 3.31Å; S36-Q38 PolarHBondContact O-N 3.13Å | ||
| 37 | S | 41 | Very low | 39 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -52.8 | 91 | 174.5 | 24.2 | 0 | 0 | 0 | 0 | 110.3 | P35 | P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.13Å | ||
| 38 | Q | 38.8 | Very low | 38.9 | Very low | 169 Ų | 169 | 124.4 Ų | 124.4 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 116.8 | 152.8 | -73.8 | -165.7 | -32.2 | 0 | 0 | 106.4 | S36 | S36-Q38 VanDerWaalsContact C-N 3.31Å; S36-Q38 PolarHBondContact O-N 3.13Å |
| 39 | P | 40.3 | Very low | 38.8 | Very low | 104 Ų | 104 | 122.7 Ų | 122.7 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 148.1 | 167.2 | 26.1 | -31.2 | 0 | 0 | 0 | 107.9 | L41 | P39-L41 PolarHBondContact O-N 3.03Š|
| 40 | P | 41.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 124.5 | 174.7 | 22 | -30.6 | 0 | 0 | 0 | 107.2 | L42 | P40-L42 PolarHBondContact O-N 2.7Š|
| 41 | L | 35.7 | Very low | 39.4 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 88% | 0.88 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 91.1 | 171.8 | -85.1 | 162.8 | 0 | 0 | 0 | 106.8 | P39 S43 | P39-L41 PolarHBondContact O-N 3.03Å; L41-S43 PolarHBondContact O-N 2.77Å; L41-S43 VanDerWaalsContact O-N 3.09Å | ||
| 42 | L | 39.5 | Very low | 40.3 | Very low | 136 Ų | 136 | 118.3 Ų | 118.3 | 71% | 0.712 | 65% | 0.65 | S | S | * | * | trans | -56.5 | 114.1 | 160.8 | -72.2 | 167 | 0 | 0 | 0 | 104.2 | P40 | P40-L42 PolarHBondContact O-N 2.7Š| ||
| 43 | S | 36.4 | Very low | 41.6 | Very low | 93 Ų | 93 | 110.8 Ų | 110.8 | 65% | 0.65 | 62% | 0.616 | S | S | * | * | trans | -34.4 | 135.3 | 154.9 | -27.4 | 0 | 0 | 0 | 0 | 107.4 | L41 H45 | L41-S43 PolarHBondContact O-N 2.77Å; L41-S43 VanDerWaalsContact O-N 3.09Å; S43-H45 PolarHBondContact O-N 3.09Å | ||
| 44 | P | 35.3 | Very low | 42.4 | Very low | 116 Ų | 116 | 106.3 Ų | 106.3 | 75% | 0.753 | 60% | 0.601 | S | S | * | * | trans | -55.5 | 112 | 171.2 | 23.9 | -29.1 | 0 | 0 | 0 | 105 | T46 | P44-T46 PolarHBondContact O-N 2.85Š| ||
| 45 | H | 34 | Very low | 43.4 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 53% | 0.532 | 59% | 0.586 | S | S | . | * | trans | -53.2 | 105.4 | 169 | -92.9 | -70.7 | 0 | 0 | 0 | 103.3 | S43 Q47 D49 | S43-H45 PolarHBondContact O-N 3.09Å; H45-Q47 PolarHBondContact O-N 3.37Å; H45-D49 IonicContact ND1-OD2 3.19Å | ||
| 46 | T | 33.7 | Very low | 44.3 | Very low | 72 Ų | 72 | 103.8 Ų | 103.8 | 44% | 0.442 | 57% | 0.574 | S | S | . | * | trans | -55 | 135.3 | 174.9 | 41.3 | 0 | 0 | 0 | 0 | 104.5 | P44 E48 D49 | P44-T46 PolarHBondContact O-N 2.85Å; T46-E48 VanDerWaalsContact CB-OE1 3.31Å; T46-E48 WeakPolarHBondContact CB-OE1 3.13Å; T46-E48 PolarHBondContact O-N 2.75Å; T46-E48 WeakPolarHBondContact OG1-CG 3.31Å; T46-D49 PolarHBondContact O-N 3.01Å | ||
| 47 | Q | 37.5 | Very low | 45.8 | Very low | 166 Ų | 166 | 99 Ų | 99 | 78% | 0.776 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -10 | -174.7 | -174.6 | 175 | -19.1 | 0 | 0 | 112.7 | H45 W51 | H45-Q47 PolarHBondContact O-N 3.37Å; Q47-W51 PolarHBondContact O-NE1 3.09Å |
| 48 | E | 39.4 | Very low | 46.8 | Very low | 115 Ų | 115 | 100.6 Ų | 100.6 | 54% | 0.537 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -26.8 | 165.7 | 53.1 | -137.5 | 88 | 0 | 0 | 117.3 | T46 W51 H52 | T46-E48 VanDerWaalsContact CB-OE1 3.31Å; T46-E48 WeakPolarHBondContact CB-OE1 3.13Å; T46-E48 PolarHBondContact O-N 2.75Å; T46-E48 WeakPolarHBondContact OG1-CG 3.31Å; E48-W51 HydrophobicContact CB-CZ2 4.02Å; E48-W51 WeakPolarHBondContact O-CZ2 3.4Å; E48-W51 PolarHBondContact O-NE1 3.29Å; E48-W51 VanDerWaalsContact O-NE1 3.09Å; E48-H52 PolarHBondContact O-NE2 3.09Å |
| 49 | D | 44.4 | Very low | 48 | Very low | 81 Ų | 81 | 93.1 Ų | 93.1 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.7 | -177.1 | -110.1 | -12 | 0 | 0 | 0 | 114 | H45 T46 W51 H52 | H45-D49 IonicContact ND1-OD2 3.19Å; T46-D49 PolarHBondContact O-N 3.01Å; D49-W51 PolarHBondContact O-N 3.36Å; D49-W51 VanDerWaalsContact O-N 3.16Å; D49-H52 PolarHBondContact O-CD2 2.93Å; D49-H52 IonicContact OD1-CD2 3.56Å; D49-H52 PolarHBondContact OD1-CD2 3.18Å; D49-H52 IonicContact OD1-NE2 3.92Å; D49-H52 PolarHBondContact OD1-NE2 3.02Å |
| 50 | L | 46.3 | Very low | 49.6 | Very low | 79 Ų | 79 | 90.1 Ų | 90.1 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -5.4 | -172.8 | -76 | 165.8 | 0 | 0 | 0 | 114.5 | ||
| 51 | W | 50.3 | Low | 51.6 | Low | 87 Ų | 87 | 84.8 Ų | 84.8 | 33% | 0.33 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | 10.7 | -175.3 | 52.1 | -105.5 | 0 | 0 | 0 | 114.6 | Q47 E48 D49 L53 Q126 | Q47-W51 PolarHBondContact O-NE1 3.09Å; E48-W51 HydrophobicContact CB-CZ2 4.02Å; E48-W51 WeakPolarHBondContact O-CZ2 3.4Å; E48-W51 PolarHBondContact O-NE1 3.29Å; E48-W51 VanDerWaalsContact O-NE1 3.09Å; D49-W51 PolarHBondContact O-N 3.36Å; D49-W51 VanDerWaalsContact O-N 3.16Å; W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.09Å; W51-Q126 VanDerWaalsContact CD1-NE2 3.26Å; W51-Q126 HydrophobicContact CD2-CG 4.35Å; W51-Q126 VanDerWaalsContact CD2-NE2 3.33Å; W51-Q126 HydrophobicContact CE3-CG 4.35Å; W51-Q126 HydrophobicContact CG-CG 4.44Å |
| 52 | H | 57.8 | Low | 53.8 | Low | 80 Ų | 80 | 78.1 Ų | 78.1 | 37% | 0.37 | 41% | 0.405 | S | S | . | . | trans | -73.8 | 86.6 | 177.5 | -69.7 | -45.4 | 0 | 0 | 0 | 111.7 | E48 D49 | E48-H52 PolarHBondContact O-NE2 3.09Å; D49-H52 PolarHBondContact O-CD2 2.93Å; D49-H52 IonicContact OD1-CD2 3.56Å; D49-H52 PolarHBondContact OD1-CD2 3.18Å; D49-H52 IonicContact OD1-NE2 3.92Å; D49-H52 PolarHBondContact OD1-NE2 3.02Å | ||
| 53 | L | 66.4 | Low | 55.5 | Low | 14 Ų | 14 | 73.9 Ų | 73.9 | 7% | 0.073 | 38% | 0.383 | C | S | . | . | trans | -54.8 | 131.3 | 167 | -78.6 | 169.1 | 0 | 0 | 0 | 110.1 | W51 G55 L57 R58 W75 V123 | W51-L53 VanDerWaalsContact C-N 3.34Å; W51-L53 PolarHBondContact O-N 3.09Å; L53-G55 PolarHBondContact O-N 2.86Å; L53-L57 HydrophobicContact CB-CB 4.12Å; L53-L57 HydrophobicContact CD2-CB 4.18Å; L53-R58 HydrophobicContact CB-CG 4.23Å; L53-R58 WeakPolarHBondContact O-CG 3.43Å; L53-R58 PolarHBondContact O-NE 3.11Å; L53-W75 HydrophobicContact CD2-CD2 4.02Å; L53-W75 HydrophobicContact CD2-CE3 3.58Å; L53-W75 HydrophobicContact CD2-CH2 3.93Å; L53-W75 HydrophobicContact CD2-CZ2 4.33Å; L53-W75 HydrophobicContact CD2-CZ3 3.54Å; L53-W75 HydrophobicContact CG-CH2 4.49Å; L53-V123 HydrophobicContact CD1-CB 4.12Å; L53-V123 HydrophobicContact CD1-CG1 3.4Å; L53-V123 VanDerWaalsContact CD1-CG1 3.4Å; L53-V123 HydrophobicContact CD1-CG2 3.54Å; L53-V123 HydrophobicContact CD2-CG2 4.32Å; L53-V123 HydrophobicContact CG-CG2 4.19Å | ||
| 54 | P | 58 | Low | 57.9 | Low | 65 Ų | 65 | 69.6 Ų | 69.6 | 42% | 0.422 | 35% | 0.353 | S | S | . | . | trans | -60.8 | 122.7 | 178.8 | -23 | 29.9 | 0 | 0 | 0 | 112.1 | R56 L57 W75 | P54-R56 PolarHBondContact O-N 3.13Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.31Å; P54-W75 HydrophobicContact CG-CG 4.13Å | ||
| 55 | G | 63.3 | Low | 60.2 | Low | 44 Ų | 44 | 67 Ų | 67 | 45% | 0.454 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | 35.5 | -103 | 165 | 0 | 0 | 0 | 0 | 0 | 115.4 | L53 L57 R58 | L53-G55 PolarHBondContact O-N 2.86Å; G55-L57 PolarHBondContact O-N 2.88Å; G55-L57 VanDerWaalsContact O-N 3.15Å; G55-R58 VanDerWaalsContact O-CB 3.26Å; G55-R58 WeakPolarHBondContact O-CB 3.31Å; G55-R58 VanDerWaalsContact O-CG 3.25Å; G55-R58 WeakPolarHBondContact O-CG 3.42Å; G55-R58 PolarHBondContact O-N 2.87Å |
| 56 | R | 57.9 | Low | 62.7 | Low | 144 Ų | 144 | 65.7 Ų | 65.7 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -59.4 | -21.4 | -177 | -74.4 | -176.2 | 55.9 | -174.8 | -9.1 | 115.1 | P54 R58 I59 D65 D68 | P54-R56 PolarHBondContact O-N 3.13Å; R56-R58 VanDerWaalsContact C-N 3.25Å; R56-R58 PolarHBondContact O-N 3Å; R56-I59 WeakPolarHBondContact O-CD1 3.34Å; R56-I59 WeakPolarHBondContact O-CG1 3.38Å; R56-D65 IonicContact NH2-OD2 2.76Å; R56-D65 PolarHBondContact NH2-OD2 3.07Å; R56-D68 IonicContact CZ-OD1 2.7Å; R56-D68 IonicContact NE-OD1 3.53Å; R56-D68 IonicContact NH2-OD1 3.46Å; R56-D68 PolarHBondContact NH2-OD1 3.5Å; R56-D68 VanDerWaalsContact NH2-OD1 3.09Å; R56-D68 IonicContact NH2-OD2 3.49Å; R56-D68 PolarHBondContact NH2-OD2 3.06Å |
| 57 | L | 64.5 | Low | 65.3 | Low | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -79 | -8.5 | 177.7 | -60.4 | 177.9 | 0 | 0 | 0 | 112.9 | L53 P54 G55 I59 W64 D68 H71 W72 | L53-L57 HydrophobicContact CB-CB 4.12Å; L53-L57 HydrophobicContact CD2-CB 4.18Å; P54-L57 WeakPolarHBondContact O-CB 3.43Å; P54-L57 PolarHBondContact O-N 3.31Å; G55-L57 PolarHBondContact O-N 2.88Å; G55-L57 VanDerWaalsContact O-N 3.15Å; L57-I59 PolarHBondContact O-N 3.15Å; L57-W64 HydrophobicContact CB-CZ2 4.44Å; L57-W64 WeakPolarHBondContact O-CZ2 3.43Å; L57-W64 PolarHBondContact O-NE1 2.84Å; L57-D68 HydrophobicContact CD2-CB 3.95Å; L57-D68 WeakPolarHBondContact CD2-O 3.19Å; L57-H71 HydrophobicContact CD1-CB 4.16Å; L57-H71 HydrophobicContact CD2-CB 4.27Å; L57-W72 HydrophobicContact CD1-CB 4.11Å; L57-W72 HydrophobicContact CD2-CB 4.21Å |
| 58 | R | 62.6 | Low | 67.6 | Low | 144 Ų | 144 | 59.4 Ų | 59.4 | 54% | 0.543 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -69.1 | -16.4 | 174.9 | -64.2 | 177.3 | 178.3 | 162 | -6.4 | 113.2 | L53 G55 R56 R127 | L53-R58 HydrophobicContact CB-CG 4.23Å; L53-R58 WeakPolarHBondContact O-CG 3.43Å; L53-R58 PolarHBondContact O-NE 3.11Å; G55-R58 VanDerWaalsContact O-CB 3.26Å; G55-R58 WeakPolarHBondContact O-CB 3.31Å; G55-R58 VanDerWaalsContact O-CG 3.25Å; G55-R58 WeakPolarHBondContact O-CG 3.42Å; G55-R58 PolarHBondContact O-N 2.87Å; R56-R58 VanDerWaalsContact C-N 3.25Å; R56-R58 PolarHBondContact O-N 3Å; R58-R127 PolarHBondContact O-NH1 3.06Å |
| 59 | I | 63.5 | Low | 70.1 | Confident | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.062 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -66.7 | 162.6 | 172.1 | 74.1 | -171.6 | 0 | 0 | 0 | 110.6 | R56 L57 L63 W64 R127 D274 | R56-I59 WeakPolarHBondContact O-CD1 3.34Å; R56-I59 WeakPolarHBondContact O-CG1 3.38Å; L57-I59 PolarHBondContact O-N 3.15Å; I59-L63 HydrophobicContact CD1-CB 4.3Å; I59-L63 HydrophobicContact CG1-CB 4.38Å; I59-W64 PolarHBondContact O-NE1 2.93Å; I59-R127 VanDerWaalsContact C-NH1 3.33Å; I59-D274 HydrophobicContact CG2-CB 4.04Å |
| 60 | N | 73.9 | Confident | 72.2 | Confident | 41 Ų | 41 | 52.7 Ų | 52.7 | 22% | 0.219 | 27% | 0.266 | C | S | . | . | trans | -59.2 | 132.7 | -175.7 | -178.2 | -21.5 | 0 | 0 | 0 | 109 | S62 L63 | N60-S62 VanDerWaalsContact CG-OG 3.26Å; N60-S62 PolarHBondContact ND2-OG 2.93Å; N60-S62 PolarHBondContact O-N 3.27Å; N60-S62 PolarHBondContact OD1-N 2.84Å; N60-S62 VanDerWaalsContact OD1-N 3.11Å; N60-S62 PolarHBondContact OD1-OG 2.99Å; N60-S62 VanDerWaalsContact OD1-OG 3.12Å; N60-L63 HydrophobicContact CB-CD1 4.01Å; N60-L63 HydrophobicContact CB-CG 4.06Å; N60-L63 WeakPolarHBondContact O-CA 3.43Å; N60-L63 VanDerWaalsContact O-CB 3.31Å; N60-L63 WeakPolarHBondContact O-CB 3.26Å; N60-L63 PolarHBondContact O-N 2.8Å | ||
| 61 | P | 82.3 | Confident | 74.1 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -54.3 | -25.4 | 179.5 | -28.5 | 35.2 | 0 | 0 | 0 | 114.9 | L63 W64 G94 L120 V123 K124 | P61-L63 PolarHBondContact O-N 2.83Å; P61-W64 HydrophobicContact CB-CD2 4.06Å; P61-W64 HydrophobicContact CB-CE3 3.99Å; P61-W64 HydrophobicContact CB-CH2 3.84Å; P61-W64 HydrophobicContact CB-CZ2 3.91Å; P61-W64 HydrophobicContact CB-CZ3 3.87Å; P61-W64 HydrophobicContact CG-CH2 3.83Å; P61-W64 HydrophobicContact CG-CZ2 3.71Å; P61-W64 HydrophobicContact CG-CZ3 4.37Å; P61-W64 PolarHBondContact O-N 3.14Å; P61-G94 CarbonylContact O-C 3.47Å; P61-G94 VanDerWaalsContact O-C 3.28Å; P61-G94 WeakPolarHBondContact O-CA 3.45Å; P61-L120 HydrophobicContact CB-CD1 3.62Å; P61-L120 HydrophobicContact CG-CD1 3.96Å; P61-V123 HydrophobicContact CG-CB 4.35Å; P61-V123 HydrophobicContact CG-CG1 3.47Å; P61-V123 VanDerWaalsContact CG-CG1 3.47Å; P61-K124 HydrophobicContact CG-CG 4.18Å |
| 62 | S | 81.9 | Confident | 76 | Confident | 28 Ų | 28 | 50 Ų | 50 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -69.5 | -15.8 | 173.5 | 67.1 | 0 | 0 | 0 | 0 | 114.2 | N60 R95 | N60-S62 VanDerWaalsContact CG-OG 3.26Å; N60-S62 PolarHBondContact ND2-OG 2.93Å; N60-S62 PolarHBondContact O-N 3.27Å; N60-S62 PolarHBondContact OD1-N 2.84Å; N60-S62 VanDerWaalsContact OD1-N 3.11Å; N60-S62 PolarHBondContact OD1-OG 2.99Å; N60-S62 VanDerWaalsContact OD1-OG 3.12Å; S62-R95 WeakPolarHBondContact O-CG 3.4Å |
| 63 | L | 75.6 | Confident | 77.6 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 25% | 0.246 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -95.6 | -6.3 | 179.5 | -59.1 | 177.5 | 0 | 0 | 0 | 113.2 | I59 N60 P61 D65 I258 P259 | I59-L63 HydrophobicContact CD1-CB 4.3Å; I59-L63 HydrophobicContact CG1-CB 4.38Å; N60-L63 HydrophobicContact CB-CD1 4.01Å; N60-L63 HydrophobicContact CB-CG 4.06Å; N60-L63 WeakPolarHBondContact O-CA 3.43Å; N60-L63 VanDerWaalsContact O-CB 3.31Å; N60-L63 WeakPolarHBondContact O-CB 3.26Å; N60-L63 PolarHBondContact O-N 2.8Å; P61-L63 PolarHBondContact O-N 2.83Å; L63-D65 PolarHBondContact O-N 3.05Å; L63-I258 HydrophobicContact CD2-CG2 4.35Å; L63-P259 HydrophobicContact CD2-CG 4Å |
| 64 | W | 86.6 | Confident | 78.6 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | trans | -62.9 | 132.2 | 178.6 | -64.4 | -12.2 | 0 | 0 | 0 | 110.5 | L57 I59 P61 D68 V69 W72 G94 L97 L120 V123 | L57-W64 HydrophobicContact CB-CZ2 4.44Å; L57-W64 WeakPolarHBondContact O-CZ2 3.43Å; L57-W64 PolarHBondContact O-NE1 2.84Å; I59-W64 PolarHBondContact O-NE1 2.93Å; P61-W64 HydrophobicContact CB-CD2 4.06Å; P61-W64 HydrophobicContact CB-CE3 3.99Å; P61-W64 HydrophobicContact CB-CH2 3.84Å; P61-W64 HydrophobicContact CB-CZ2 3.91Å; P61-W64 HydrophobicContact CB-CZ3 3.87Å; P61-W64 HydrophobicContact CG-CH2 3.83Å; P61-W64 HydrophobicContact CG-CZ2 3.71Å; P61-W64 HydrophobicContact CG-CZ3 4.37Å; P61-W64 PolarHBondContact O-N 3.14Å; W64-D68 HydrophobicContact CB-CB 3.6Å; W64-D68 HydrophobicContact CG-CB 3.92Å; W64-V69 HydrophobicContact CB-CG2 3.97Å; W64-V69 HydrophobicContact CE3-CG2 4.22Å; W64-W72 HydrophobicContact CE3-CB 4.13Å; W64-W72 HydrophobicContact CE3-CG 4.26Å; W64-W72 HydrophobicContact CH2-CB 3.89Å; W64-W72 AromaticContact CH2-CD1 3.36Å; W64-W72 AromaticContact CH2-CD2 3.97Å; W64-W72 HydrophobicContact CH2-CD2 3.97Å; W64-W72 AromaticContact CH2-CG 3.43Å; W64-W72 HydrophobicContact CH2-CG 3.43Å; W64-W72 VanDerWaalsContact CH2-CG 3.43Å; W64-W72 AromaticContact CH2-NE1 3.82Å; W64-W72 HydrophobicContact CZ2-CG 4.45Å; W64-W72 HydrophobicContact CZ3-CB 3.64Å; W64-W72 AromaticContact CZ3-CD1 3.74Å; W64-W72 AromaticContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CE3 4.02Å; W64-W72 AromaticContact CZ3-CG 3.31Å; W64-W72 HydrophobicContact CZ3-CG 3.31Å; W64-G94 WeakPolarHBondContact O-CA 3.25Å; W64-G94 PolarHBondContact O-N 3.25Å; W64-L97 HydrophobicContact CE3-CD2 4.02Å; W64-L97 HydrophobicContact CZ3-CD2 3.96Å; W64-L120 HydrophobicContact CH2-CD1 4.32Å; W64-L120 HydrophobicContact CZ3-CD1 4.09Å; W64-V123 HydrophobicContact CH2-CG1 4.33Å; W64-V123 HydrophobicContact CZ2-CG1 4.25Å | ||
| 65 | D | 83.4 | Confident | 80 | Confident | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 24% | 0.243 | S | C | . | . | trans | -74 | 179.1 | 163.1 | 61.4 | 30.1 | 0 | 0 | 0 | 110.2 | R56 L63 E67 D68 V69 | R56-D65 IonicContact NH2-OD2 2.76Å; R56-D65 PolarHBondContact NH2-OD2 3.07Å; L63-D65 PolarHBondContact O-N 3.05Å; D65-E67 PolarHBondContact O-N 2.99Å; D65-E67 WeakPolarHBondContact OD1-CB 3.41Å; D65-E67 PolarHBondContact OD1-N 3.13Å; D65-D68 PolarHBondContact N-OD2 3.49Å; D65-D68 PolarHBondContact O-N 3.42Å; D65-D68 WeakPolarHBondContact OD1-CB 3.33Å; D65-D68 PolarHBondContact OD1-N 3.5Å; D65-V69 WeakPolarHBondContact O-CG2 3.42Å; D65-V69 PolarHBondContact O-N 2.85Å | ||
| 66 | K | 88 | Confident | 81.2 | Confident | 87 Ų | 87 | 46.9 Ų | 46.9 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -36.3 | -177.3 | -179 | -155 | -178.5 | -164.1 | 0 | 110.9 | A70 E91 M92 | K66-A70 PolarHBondContact O-N 3.02Å; K66-A70 VanDerWaalsContact O-N 3.1Å; K66-E91 HydrophobicContact CD-CG 4.34Å; K66-E91 WeakPolarHBondContact CE-OE1 3.21Å; K66-E91 IonicContact NZ-OE1 2.98Å; K66-E91 PolarHBondContact NZ-OE1 2.95Å; K66-M92 WeakPolarHBondContact CA-O 3.3Å |
| 67 | E | 87.1 | Confident | 82.6 | Confident | 101 Ų | 101 | 41.3 Ų | 41.3 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.5 | -41.5 | 179.4 | -64.7 | 64.9 | -145.9 | 0 | 0 | 110.9 | D65 A70 H71 | D65-E67 PolarHBondContact O-N 2.99Å; D65-E67 WeakPolarHBondContact OD1-CB 3.41Å; D65-E67 PolarHBondContact OD1-N 3.13Å; E67-A70 WeakPolarHBondContact O-CB 3.3Å; E67-A70 PolarHBondContact O-N 3.44Å; E67-H71 VanDerWaalsContact O-CG 3.29Å; E67-H71 PolarHBondContact O-N 2.87Å; E67-H71 PolarHBondContact O-ND1 2.66Å |
| 68 | D | 87.2 | Confident | 83.5 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -41 | 174 | -69.4 | -32.7 | 0 | 0 | 0 | 111.1 | R56 L57 W64 D65 A70 H71 W72 | R56-D68 IonicContact CZ-OD1 2.7Å; R56-D68 IonicContact NE-OD1 3.53Å; R56-D68 IonicContact NH2-OD1 3.46Å; R56-D68 PolarHBondContact NH2-OD1 3.5Å; R56-D68 VanDerWaalsContact NH2-OD1 3.09Å; R56-D68 IonicContact NH2-OD2 3.49Å; R56-D68 PolarHBondContact NH2-OD2 3.06Å; L57-D68 HydrophobicContact CD2-CB 3.95Å; L57-D68 WeakPolarHBondContact CD2-O 3.19Å; W64-D68 HydrophobicContact CB-CB 3.6Å; W64-D68 HydrophobicContact CG-CB 3.92Å; D65-D68 PolarHBondContact N-OD2 3.49Å; D65-D68 PolarHBondContact O-N 3.42Å; D65-D68 WeakPolarHBondContact OD1-CB 3.33Å; D65-D68 PolarHBondContact OD1-N 3.5Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.37Å; D68-H71 PolarHBondContact O-N 3.15Å; D68-W72 WeakPolarHBondContact O-CB 3.12Å; D68-W72 PolarHBondContact O-N 3.1Å |
| 69 | V | 90.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -42.2 | 172.6 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | W64 D65 W72 L73 F90 M92 L97 | W64-V69 HydrophobicContact CB-CG2 3.97Å; W64-V69 HydrophobicContact CE3-CG2 4.22Å; D65-V69 WeakPolarHBondContact O-CG2 3.42Å; D65-V69 PolarHBondContact O-N 2.85Å; V69-W72 PolarHBondContact O-N 3.16Å; V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CD1 3.44Å; V69-L73 WeakPolarHBondContact O-CG 3.08Å; V69-L73 PolarHBondContact O-N 2.85Å; V69-F90 HydrophobicContact CG1-CB 4.43Å; V69-M92 WeakPolarHBondContact CG2-O 3.41Å; V69-L97 HydrophobicContact CG1-CD1 4.2Å; V69-L97 HydrophobicContact CG1-CD2 4.05Å; V69-L97 HydrophobicContact CG2-CB 4.45Å; V69-L97 HydrophobicContact CG2-CD2 4.07Å |
| 70 | A | 89.7 | Confident | 85.3 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 46% | 0.455 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K66 E67 D68 L73 H74 | K66-A70 PolarHBondContact O-N 3.02Å; K66-A70 VanDerWaalsContact O-N 3.1Å; E67-A70 WeakPolarHBondContact O-CB 3.3Å; E67-A70 PolarHBondContact O-N 3.44Å; D68-A70 VanDerWaalsContact C-N 3.33Å; D68-A70 PolarHBondContact O-N 3.37Å; A70-L73 PolarHBondContact O-N 3.01Å; A70-H74 WeakPolarHBondContact O-CB 3.21Å; A70-H74 PolarHBondContact O-N 2.76Å |
| 71 | H | 86.9 | Confident | 85.8 | Confident | 110 Ų | 110 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 174.3 | -69.4 | 131.5 | 0 | 0 | 0 | 112 | L57 E67 D68 H74 W75 | L57-H71 HydrophobicContact CD1-CB 4.16Å; L57-H71 HydrophobicContact CD2-CB 4.27Å; E67-H71 VanDerWaalsContact O-CG 3.29Å; E67-H71 PolarHBondContact O-N 2.87Å; E67-H71 PolarHBondContact O-ND1 2.66Å; D68-H71 PolarHBondContact O-N 3.15Å; H71-H74 PolarHBondContact O-N 3.08Å; H71-W75 WeakPolarHBondContact O-CB 3.4Å; H71-W75 PolarHBondContact O-N 2.83Å |
| 72 | W | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 175.3 | 168 | 72.3 | 0 | 0 | 0 | 111.6 | L57 W64 D68 V69 H74 W75 A76 L97 F105 L116 I119 L120 | L57-W72 HydrophobicContact CD1-CB 4.11Å; L57-W72 HydrophobicContact CD2-CB 4.21Å; W64-W72 HydrophobicContact CE3-CB 4.13Å; W64-W72 HydrophobicContact CE3-CG 4.26Å; W64-W72 HydrophobicContact CH2-CB 3.89Å; W64-W72 AromaticContact CH2-CD1 3.36Å; W64-W72 AromaticContact CH2-CD2 3.97Å; W64-W72 HydrophobicContact CH2-CD2 3.97Å; W64-W72 AromaticContact CH2-CG 3.43Å; W64-W72 HydrophobicContact CH2-CG 3.43Å; W64-W72 VanDerWaalsContact CH2-CG 3.43Å; W64-W72 AromaticContact CH2-NE1 3.82Å; W64-W72 HydrophobicContact CZ2-CG 4.45Å; W64-W72 HydrophobicContact CZ3-CB 3.64Å; W64-W72 AromaticContact CZ3-CD1 3.74Å; W64-W72 AromaticContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CD2 3.54Å; W64-W72 HydrophobicContact CZ3-CE3 4.02Å; W64-W72 AromaticContact CZ3-CG 3.31Å; W64-W72 HydrophobicContact CZ3-CG 3.31Å; D68-W72 WeakPolarHBondContact O-CB 3.12Å; D68-W72 PolarHBondContact O-N 3.1Å; V69-W72 PolarHBondContact O-N 3.16Å; W72-H74 VanDerWaalsContact C-N 3.32Å; W72-H74 PolarHBondContact O-N 3.4Å; W72-W75 AromaticContact CD1-CE3 3.98Å; W72-W75 PolarHBondContact O-N 3.3Å; W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.04Å; W72-L97 HydrophobicContact CE3-CD2 3.82Å; W72-L97 HydrophobicContact CH2-CD2 4.5Å; W72-L97 HydrophobicContact CZ3-CD1 4.18Å; W72-L97 HydrophobicContact CZ3-CD2 3.75Å; W72-F105 HydrophobicContact CH2-CE1 4.02Å; W72-F105 HydrophobicContact CZ3-CE1 4.32Å; W72-L116 HydrophobicContact CH2-CB 4.17Å; W72-L116 HydrophobicContact CH2-CD2 4.16Å; W72-L116 HydrophobicContact CZ2-CD2 4.47Å; W72-I119 HydrophobicContact CZ2-CB 4.41Å; W72-I119 HydrophobicContact CZ2-CG2 4.08Å; W72-L120 HydrophobicContact CH2-CB 4.15Å; W72-L120 HydrophobicContact CZ2-CB 3.91Å |
| 73 | L | 90.2 | Very high | 85.9 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.9 | -76.5 | 159.5 | 0 | 0 | 0 | 111.7 | V69 A70 A76 Q77 F90 L116 | V69-L73 HydrophobicContact CG1-CD1 3.94Å; V69-L73 WeakPolarHBondContact O-CD1 3.44Å; V69-L73 WeakPolarHBondContact O-CG 3.08Å; V69-L73 PolarHBondContact O-N 2.85Å; A70-L73 PolarHBondContact O-N 3.01Å; L73-A76 PolarHBondContact O-N 3.09Å; L73-Q77 WeakPolarHBondContact O-CB 3.46Å; L73-Q77 WeakPolarHBondContact O-CG 3.32Å; L73-Q77 PolarHBondContact O-N 3.06Å; L73-Q77 PolarHBondContact O-NE2 3.36Å; L73-Q77 VanDerWaalsContact O-NE2 3.09Å; L73-F90 HydrophobicContact CD1-CB 3.29Å; L73-F90 HydrophobicContact CD1-CD2 3.93Å; L73-F90 HydrophobicContact CD1-CG 3.68Å; L73-F90 HydrophobicContact CD2-CD2 3.96Å; L73-F90 HydrophobicContact CD2-CE2 4.23Å; L73-F90 HydrophobicContact CD2-CG 4.18Å; L73-L116 HydrophobicContact CD2-CD1 3.95Å; L73-L116 HydrophobicContact CD2-CD2 4.15Å |
| 74 | H | 87.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 68.6 Ų | 68.6 | 44% | 0.444 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 178.4 | -174 | 60.1 | 0 | 0 | 0 | 112.1 | A70 H71 W72 K78 | A70-H74 WeakPolarHBondContact O-CB 3.21Å; A70-H74 PolarHBondContact O-N 2.76Å; H71-H74 PolarHBondContact O-N 3.08Å; W72-H74 VanDerWaalsContact C-N 3.32Å; W72-H74 PolarHBondContact O-N 3.4Å; H74-K78 PolarHBondContact O-N 2.96Å; H74-K78 VanDerWaalsContact O-N 3.14Å |
| 75 | W | 88.5 | Confident | 85.1 | Confident | 27 Ų | 27 | 69.5 Ų | 69.5 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -51.4 | 173.3 | 168.2 | 77.5 | 0 | 0 | 0 | 111.2 | L53 P54 H71 W72 Q77 K78 E79 Y80 I119 | L53-W75 HydrophobicContact CD2-CD2 4.02Å; L53-W75 HydrophobicContact CD2-CE3 3.58Å; L53-W75 HydrophobicContact CD2-CH2 3.93Å; L53-W75 HydrophobicContact CD2-CZ2 4.33Å; L53-W75 HydrophobicContact CD2-CZ3 3.54Å; L53-W75 HydrophobicContact CG-CH2 4.49Å; P54-W75 HydrophobicContact CG-CG 4.13Å; H71-W75 WeakPolarHBondContact O-CB 3.4Å; H71-W75 PolarHBondContact O-N 2.83Å; W72-W75 AromaticContact CD1-CE3 3.98Å; W72-W75 PolarHBondContact O-N 3.3Å; W75-Q77 VanDerWaalsContact C-N 3.26Å; W75-Q77 PolarHBondContact O-N 2.85Å; W75-K78 PolarHBondContact O-N 3Å; W75-E79 HydrophobicContact CZ2-CB 4.21Å; W75-E79 HydrophobicContact CZ2-CG 3.91Å; W75-E79 PolarHBondContact NE1-OE2 3.36Å; W75-E79 WeakPolarHBondContact O-CB 3.47Å; W75-E79 PolarHBondContact O-N 3.45Å; W75-Y80 AromaticContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CZ2-CE2 4.47Å; W75-Y80 HydrophobicContact CZ3-CE2 4.19Å; W75-I119 HydrophobicContact CH2-CG2 4.47Å; W75-I119 HydrophobicContact CZ3-CG2 3.88Å |
| 76 | A | 88.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.7 | -35.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W72 L73 Y80 L116 I119 | W72-A76 WeakPolarHBondContact O-CB 3.29Å; W72-A76 PolarHBondContact O-N 3.04Å; L73-A76 PolarHBondContact O-N 3.09Å; A76-Y80 WeakPolarHBondContact O-CB 3.4Å; A76-Y80 WeakPolarHBondContact O-CD2 3.43Å; A76-Y80 PolarHBondContact O-N 2.73Å; A76-L116 HydrophobicContact CB-CD2 3.82Å; A76-I119 HydrophobicContact CB-CD1 4.22Å |
| 77 | Q | 86.8 | Confident | 83.9 | Confident | 28 Ų | 28 | 79.8 Ų | 79.8 | 13% | 0.131 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 172.9 | -72.9 | 156 | 32.5 | 0 | 0 | 112.4 | L73 W75 S81 L82 | L73-Q77 WeakPolarHBondContact O-CB 3.46Å; L73-Q77 WeakPolarHBondContact O-CG 3.32Å; L73-Q77 PolarHBondContact O-N 3.06Å; L73-Q77 PolarHBondContact O-NE2 3.36Å; L73-Q77 VanDerWaalsContact O-NE2 3.09Å; W75-Q77 VanDerWaalsContact C-N 3.26Å; W75-Q77 PolarHBondContact O-N 2.85Å; Q77-S81 CarbonylContact O-C 3.48Å; Q77-S81 WeakPolarHBondContact O-CA 3.21Å; Q77-S81 PolarHBondContact O-N 3.18Å; Q77-L82 PolarHBondContact O-N 3Å |
| 78 | K | 84.3 | Confident | 83.4 | Confident | 166 Ų | 166 | 77.1 Ų | 77.1 | 72% | 0.722 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.1 | -44.6 | -178.9 | -173.4 | -177.7 | 177.4 | -172.8 | 0 | 111.3 | H74 W75 | H74-K78 PolarHBondContact O-N 2.96Å; H74-K78 VanDerWaalsContact O-N 3.14Å; W75-K78 PolarHBondContact O-N 3Å |
| 79 | E | 81.9 | Confident | 83.3 | Confident | 81 Ų | 81 | 79.7 Ų | 79.7 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71.5 | -46.3 | -175 | -162.8 | 66.8 | -136.9 | 0 | 0 | 111.8 | W75 | W75-E79 HydrophobicContact CZ2-CB 4.21Å; W75-E79 HydrophobicContact CZ2-CG 3.91Å; W75-E79 PolarHBondContact NE1-OE2 3.36Å; W75-E79 WeakPolarHBondContact O-CB 3.47Å; W75-E79 PolarHBondContact O-N 3.45Å |
| 80 | Y | 82.4 | Confident | 83.1 | Confident | 93 Ų | 93 | 80.3 Ų | 80.3 | 37% | 0.365 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11.2 | -177 | -61.4 | -90.6 | 0 | 0 | 0 | 112.9 | W75 A76 L82 I119 | W75-Y80 AromaticContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CH2-CE2 3.84Å; W75-Y80 HydrophobicContact CZ2-CE2 4.47Å; W75-Y80 HydrophobicContact CZ3-CE2 4.19Å; A76-Y80 WeakPolarHBondContact O-CB 3.4Å; A76-Y80 WeakPolarHBondContact O-CD2 3.43Å; A76-Y80 PolarHBondContact O-N 2.73Å; Y80-L82 WeakPolarHBondContact O-CD2 3.28Å; Y80-L82 PolarHBondContact O-N 2.83Å; Y80-I119 HydrophobicContact CD1-CD1 4.18Å; Y80-I119 HydrophobicContact CD2-CD1 3.31Å; Y80-I119 HydrophobicContact CD2-CG1 4.1Å; Y80-I119 HydrophobicContact CE1-CD1 4.33Å; Y80-I119 HydrophobicContact CE1-CG1 4.29Å; Y80-I119 HydrophobicContact CE2-CD1 3.49Å; Y80-I119 VanDerWaalsContact CE2-CD1 3.49Å; Y80-I119 HydrophobicContact CE2-CG1 3.76Å; Y80-I119 HydrophobicContact CE2-CG2 4.26Å; Y80-I119 HydrophobicContact CG-CD1 3.68Å |
| 81 | S | 83.6 | Confident | 83.2 | Confident | 111 Ų | 111 | 83.6 Ų | 83.6 | 78% | 0.776 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.8 | -179.5 | -61.5 | 0 | 0 | 0 | 0 | 113.4 | Q77 | Q77-S81 CarbonylContact O-C 3.48Å; Q77-S81 WeakPolarHBondContact O-CA 3.21Å; Q77-S81 PolarHBondContact O-N 3.18Å |
| 82 | L | 85.2 | Confident | 83.3 | Confident | 31 Ų | 31 | 79.6 Ų | 79.6 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -82.5 | 150 | -175.7 | -52.4 | 174.6 | 0 | 0 | 0 | 111.7 | Q77 Y80 R84 V115 L116 I119 | Q77-L82 PolarHBondContact O-N 3Å; Y80-L82 WeakPolarHBondContact O-CD2 3.28Å; Y80-L82 PolarHBondContact O-N 2.83Å; L82-R84 PolarHBondContact O-N 3.39Å; L82-V115 HydrophobicContact CD1-CG1 4.18Å; L82-V115 HydrophobicContact CD2-CB 4.33Å; L82-V115 HydrophobicContact CD2-CG1 4Å; L82-L116 HydrophobicContact CD1-CD2 3.75Å; L82-L116 HydrophobicContact CD1-CG 4.05Å; L82-I119 HydrophobicContact CD1-CD1 4.23Å |
| 83 | R | 80.5 | Confident | 83.3 | Confident | 188 Ų | 188 | 83.3 Ų | 83.3 | 71% | 0.709 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 134.2 | 171.8 | -167.1 | -169 | -69.7 | -171.1 | -0.6 | 109.4 | P85 | R83-P85 WeakPolarHBondContact O-CD 3.48Š|
| 84 | R | 72.4 | Confident | 83.1 | Confident | 182 Ų | 182 | 82.7 Ų | 82.7 | 69% | 0.687 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 121 | 175.2 | -101.7 | -178.4 | 179.1 | 118.7 | -2.3 | 110.2 | L82 | L82-R84 PolarHBondContact O-N 3.39Š|
| 85 | P | 74.2 | Confident | 83 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 16% | 0.156 | 39% | 0.392 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.9 | 164.1 | -16.7 | 30.2 | 0 | 0 | 0 | 109.3 | R83 F90 L116 | R83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE2 4.14Å; P85-F90 HydrophobicContact CG-CE2 4.31Å; P85-L116 HydrophobicContact CG-CD1 4.42Å |
| 86 | E | 72.8 | Confident | 83 | Confident | 149 Ų | 149 | 84.7 Ų | 84.7 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 142.6 | 173.7 | -90.2 | 176.3 | -168.3 | 0 | 0 | 110.5 | G88 H89 | E86-G88 PolarHBondContact O-N 3.21Å; E86-H89 WeakPolarHBondContact CB-CE1 3.2Å; E86-H89 WeakPolarHBondContact CB-ND1 3.42Å; E86-H89 PolarHBondContact O-N 3.31Å; E86-H89 PolarHBondContact O-ND1 3.09Å; E86-H89 IonicContact OE2-CE1 3.21Å; E86-H89 PolarHBondContact OE2-CE1 2.96Å; E86-H89 IonicContact OE2-NE2 3.73Å |
| 87 | K | 73.8 | Confident | 83.2 | Confident | 214 Ų | 214 | 84.7 Ų | 84.7 | 93% | 0.93 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 132.4 | 179.5 | -95.8 | 179.8 | 174.3 | -179.9 | 0 | 110.2 | ||
| 88 | G | 76.6 | Confident | 83.4 | Confident | 45 Ų | 45 | 84.7 Ų | 84.7 | 46% | 0.464 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.9 | -18.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | E86 F90 E91 | E86-G88 PolarHBondContact O-N 3.21Å; G88-F90 PolarHBondContact O-N 2.66Å; G88-F90 VanDerWaalsContact O-N 3.15Å; G88-E91 WeakPolarHBondContact O-CB 3.45Å; G88-E91 PolarHBondContact O-N 2.95Å; G88-E91 VanDerWaalsContact O-N 3.16Å |
| 89 | H | 83.3 | Confident | 83.7 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 27% | 0.273 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.7 | -175.5 | -77.1 | 83.9 | 0 | 0 | 0 | 114.6 | E86 R108 | E86-H89 WeakPolarHBondContact CB-CE1 3.2Å; E86-H89 WeakPolarHBondContact CB-ND1 3.42Å; E86-H89 PolarHBondContact O-N 3.31Å; E86-H89 PolarHBondContact O-ND1 3.09Å; E86-H89 IonicContact OE2-CE1 3.21Å; E86-H89 PolarHBondContact OE2-CE1 2.96Å; E86-H89 IonicContact OE2-NE2 3.73Å; H89-R108 HydrophobicContact CB-CB 4.31Å; H89-R108 PolarHBondContact CD2-O 3.03Å; H89-R108 WeakPolarHBondContact O-CD 3.42Å; H89-R108 PolarHBondContact O-NH1 3.03Å |
| 90 | F | 87.5 | Confident | 84.1 | Confident | 14 Ų | 14 | 80.9 Ų | 80.9 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 31.9 | 178.7 | -65.3 | -83.6 | 0 | 0 | 0 | 111.6 | V69 L73 P85 G88 M92 L97 L100 F105 R108 C109 L116 | V69-F90 HydrophobicContact CG1-CB 4.43Å; L73-F90 HydrophobicContact CD1-CB 3.29Å; L73-F90 HydrophobicContact CD1-CD2 3.93Å; L73-F90 HydrophobicContact CD1-CG 3.68Å; L73-F90 HydrophobicContact CD2-CD2 3.96Å; L73-F90 HydrophobicContact CD2-CE2 4.23Å; L73-F90 HydrophobicContact CD2-CG 4.18Å; P85-F90 HydrophobicContact CB-CD2 4.25Å; P85-F90 HydrophobicContact CB-CE2 4.14Å; P85-F90 HydrophobicContact CG-CE2 4.31Å; G88-F90 PolarHBondContact O-N 2.66Å; G88-F90 VanDerWaalsContact O-N 3.15Å; F90-M92 PolarHBondContact O-N 3.43Å; F90-L97 HydrophobicContact CD1-CD1 3.66Å; F90-L97 HydrophobicContact CE1-CD1 4.19Å; F90-L100 HydrophobicContact CD1-CD1 4.47Å; F90-L100 HydrophobicContact CE1-CD1 4.3Å; F90-F105 HydrophobicContact CD1-CE1 4.32Å; F90-F105 AromaticContact CE1-CD1 3.52Å; F90-F105 HydrophobicContact CE1-CD1 3.52Å; F90-F105 AromaticContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CE1 3.47Å; F90-F105 VanDerWaalsContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CG 4.31Å; F90-F105 HydrophobicContact CE1-CZ 4.25Å; F90-F105 AromaticContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CE1 4.08Å; F90-R108 HydrophobicContact CE1-CB 4.22Å; F90-R108 HydrophobicContact CE2-CB 4.18Å; F90-R108 HydrophobicContact CZ-CB 3.82Å; F90-C109 HydrophobicContact CE2-CB 4.04Å; F90-C109 HydrophobicContact CZ-CB 4.21Å; F90-L116 HydrophobicContact CE2-CD1 4.33Å; F90-L116 HydrophobicContact CZ-CD1 4.3Å |
| 91 | E | 90.2 | Very high | 84.5 | Confident | 124 Ų | 124 | 79.6 Ų | 79.6 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | trans | -73.9 | 73.3 | 177.2 | -162.7 | 169.3 | 175.6 | 0 | 0 | 111 | K66 G88 | K66-E91 HydrophobicContact CD-CG 4.34Å; K66-E91 WeakPolarHBondContact CE-OE1 3.21Å; K66-E91 IonicContact NZ-OE1 2.98Å; K66-E91 PolarHBondContact NZ-OE1 2.95Å; G88-E91 WeakPolarHBondContact O-CB 3.45Å; G88-E91 PolarHBondContact O-N 2.95Å; G88-E91 VanDerWaalsContact O-N 3.16Å | ||
| 92 | M | 90.1 | Very high | 84.9 | Confident | 25 Ų | 25 | 78 Ų | 78 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -154.8 | 164 | -173.3 | 69.3 | -171.1 | 63.9 | 0 | 0 | 110.9 | K66 V69 F90 A96 L97 L100 R108 | K66-M92 WeakPolarHBondContact CA-O 3.3Å; V69-M92 WeakPolarHBondContact CG2-O 3.41Å; F90-M92 PolarHBondContact O-N 3.43Å; M92-A96 HydrophobicContact CB-CB 3.85Å; M92-A96 HydrophobicContact CG-CB 4.08Å; M92-A96 HydrophobicContact SD-CB 3.96Å; M92-L97 HydrophobicContact CG-CB 4.36Å; M92-L97 HydrophobicContact SD-CB 4.22Å; M92-L97 HydrophobicContact SD-CD1 4.26Å; M92-L100 HydrophobicContact CE-CD1 4.15Å; M92-L100 HydrophobicContact SD-CD1 3.8Å; M92-L100 HydrophobicContact SD-CG 4.29Å; M92-R108 VanDerWaalsContact CE-NH1 3.29Å |
| 93 | N | 89.2 | Confident | 85.2 | Confident | 79 Ų | 79 | 82.1 Ų | 82.1 | 42% | 0.422 | 39% | 0.392 | S | S | . | . | trans | -80 | 166.5 | 171.3 | 62.8 | 41 | 0 | 0 | 0 | 111.6 | R95 A96 L97 | N93-R95 PolarHBondContact O-N 3.3Å; N93-R95 WeakPolarHBondContact OD1-CB 3.21Å; N93-R95 PolarHBondContact OD1-N 2.83Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-A96 PolarHBondContact OD1-N 3.38Å; N93-L97 PolarHBondContact O-N 2.96Å | ||
| 94 | G | 87.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.6 | -29.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P61 W64 L97 C98 | P61-G94 CarbonylContact O-C 3.47Å; P61-G94 VanDerWaalsContact O-C 3.28Å; P61-G94 WeakPolarHBondContact O-CA 3.45Å; W64-G94 WeakPolarHBondContact O-CA 3.25Å; W64-G94 PolarHBondContact O-N 3.25Å; G94-L97 PolarHBondContact O-N 3.32Å; G94-C98 WeakPolarHBondContact O-CB 3.48Å; G94-C98 PolarHBondContact O-N 3.15Å; G94-C98 PolarHBondContact O-SG 2.87Å |
| 95 | R | 83.9 | Confident | 86.8 | Confident | 130 Ų | 130 | 66.2 Ų | 66.2 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.7 | -50.5 | 174.7 | -61.8 | -170.4 | -169.7 | -170.4 | 10.9 | 111.4 | S62 N93 L97 C98 L99 | S62-R95 WeakPolarHBondContact O-CG 3.4Å; N93-R95 PolarHBondContact O-N 3.3Å; N93-R95 WeakPolarHBondContact OD1-CB 3.21Å; N93-R95 PolarHBondContact OD1-N 2.83Å; R95-L97 VanDerWaalsContact C-N 3.27Å; R95-L97 PolarHBondContact O-N 3.44Å; R95-C98 PolarHBondContact O-N 3.28Å; R95-L99 WeakPolarHBondContact O-CG 3.43Å; R95-L99 PolarHBondContact O-N 3.23Å |
| 96 | A | 89 | Confident | 87.6 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | M92 N93 C98 L99 L100 | M92-A96 HydrophobicContact CB-CB 3.85Å; M92-A96 HydrophobicContact CG-CB 4.08Å; M92-A96 HydrophobicContact SD-CB 3.96Å; N93-A96 PolarHBondContact O-N 3.45Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-A96 PolarHBondContact OD1-N 3.38Å; A96-C98 VanDerWaalsContact C-N 3.33Å; A96-C98 PolarHBondContact O-N 3.19Å; A96-L99 PolarHBondContact O-N 3.29Å; A96-L100 WeakPolarHBondContact O-CG 3.29Å; A96-L100 PolarHBondContact O-N 3.46Å |
| 97 | L | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -58 | -42.8 | 175.9 | -171 | 76.2 | 0 | 0 | 0 | 112.4 | W64 V69 W72 F90 M92 N93 G94 R95 L99 L100 F105 L120 | W64-L97 HydrophobicContact CE3-CD2 4.02Å; W64-L97 HydrophobicContact CZ3-CD2 3.96Å; V69-L97 HydrophobicContact CG1-CD1 4.2Å; V69-L97 HydrophobicContact CG1-CD2 4.05Å; V69-L97 HydrophobicContact CG2-CB 4.45Å; V69-L97 HydrophobicContact CG2-CD2 4.07Å; W72-L97 HydrophobicContact CE3-CD2 3.82Å; W72-L97 HydrophobicContact CH2-CD2 4.5Å; W72-L97 HydrophobicContact CZ3-CD1 4.18Å; W72-L97 HydrophobicContact CZ3-CD2 3.75Å; F90-L97 HydrophobicContact CD1-CD1 3.66Å; F90-L97 HydrophobicContact CE1-CD1 4.19Å; M92-L97 HydrophobicContact CG-CB 4.36Å; M92-L97 HydrophobicContact SD-CB 4.22Å; M92-L97 HydrophobicContact SD-CD1 4.26Å; N93-L97 PolarHBondContact O-N 2.96Å; G94-L97 PolarHBondContact O-N 3.32Å; R95-L97 VanDerWaalsContact C-N 3.27Å; R95-L97 PolarHBondContact O-N 3.44Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.97Å; L97-L100 HydrophobicContact CD1-CD1 4.33Å; L97-L100 WeakPolarHBondContact O-CB 3.32Å; L97-L100 PolarHBondContact O-N 3.26Å; L97-F105 HydrophobicContact CD1-CE1 3.99Å; L97-F105 HydrophobicContact CD1-CZ 3.58Å; L97-F105 HydrophobicContact CG-CZ 3.96Å; L97-L120 HydrophobicContact CD2-CD1 4.24Å; L97-L120 HydrophobicContact CD2-CD2 4.17Å; L97-L120 HydrophobicContact CG-CD2 3.97Å |
| 98 | C | 90.2 | Very high | 89.3 | Confident | 28 Ų | 28 | 64 Ų | 64 | 19% | 0.189 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -71.1 | -21.1 | -179.7 | -73.5 | 0 | 0 | 0 | 0 | 114.5 | G94 R95 A96 | G94-C98 WeakPolarHBondContact O-CB 3.48Å; G94-C98 PolarHBondContact O-N 3.15Å; G94-C98 PolarHBondContact O-SG 2.87Å; R95-C98 PolarHBondContact O-N 3.28Å; A96-C98 VanDerWaalsContact C-N 3.33Å; A96-C98 PolarHBondContact O-N 3.19Å |
| 99 | L | 89.9 | Confident | 89.9 | Confident | 144 Ų | 144 | 62.1 Ų | 62.1 | 75% | 0.754 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -85.2 | -16 | 177.4 | -69.3 | 172.6 | 0 | 0 | 0 | 112.6 | R95 A96 L97 T101 | R95-L99 WeakPolarHBondContact O-CG 3.43Å; R95-L99 PolarHBondContact O-N 3.23Å; A96-L99 PolarHBondContact O-N 3.29Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 PolarHBondContact O-N 2.97Å; L99-T101 PolarHBondContact O-N 3.03Å |
| 100 | L | 90.8 | Very high | 90.1 | Very high | 23 Ų | 23 | 64.5 Ų | 64.5 | 12% | 0.12 | 31% | 0.312 | C | S | . | . | trans | -64.8 | 132.6 | 177.2 | -63.7 | -174.4 | 0 | 0 | 0 | 110.4 | F90 M92 A96 L97 D104 F105 | F90-L100 HydrophobicContact CD1-CD1 4.47Å; F90-L100 HydrophobicContact CE1-CD1 4.3Å; M92-L100 HydrophobicContact CE-CD1 4.15Å; M92-L100 HydrophobicContact SD-CD1 3.8Å; M92-L100 HydrophobicContact SD-CG 4.29Å; A96-L100 WeakPolarHBondContact O-CG 3.29Å; A96-L100 PolarHBondContact O-N 3.46Å; L97-L100 HydrophobicContact CD1-CD1 4.33Å; L97-L100 WeakPolarHBondContact O-CB 3.32Å; L97-L100 PolarHBondContact O-N 3.26Å; L100-D104 HydrophobicContact CB-CB 3.95Å; L100-D104 HydrophobicContact CD2-CB 3.94Å; L100-D104 HydrophobicContact CG-CB 4.38Å; L100-F105 HydrophobicContact CB-CD2 3.71Å; L100-F105 HydrophobicContact CB-CE2 3.53Å; L100-F105 HydrophobicContact CD1-CD2 4.22Å; L100-F105 HydrophobicContact CD1-CE2 3.98Å; L100-F105 HydrophobicContact CD1-CZ 4.3Å; L100-F105 HydrophobicContact CG-CE2 4.35Å | ||
| 101 | T | 91.8 | Very high | 90.1 | Very high | 66 Ų | 66 | 67 Ų | 67 | 41% | 0.405 | 33% | 0.331 | S | S | . | . | trans | -73.8 | 164.5 | 170.4 | 67.1 | 0 | 0 | 0 | 0 | 110.3 | L99 E103 D104 F105 | L99-T101 PolarHBondContact O-N 3.03Å; T101-E103 PolarHBondContact O-N 3.04Å; T101-E103 PolarHBondContact OG1-N 2.91Å; T101-D104 WeakPolarHBondContact CB-OD2 3.23Å; T101-D104 PolarHBondContact N-OD2 3.49Å; T101-D104 WeakPolarHBondContact O-CB 3.3Å; T101-D104 PolarHBondContact O-N 2.9Å; T101-D104 VanDerWaalsContact OG1-CG 3.24Å; T101-D104 PolarHBondContact OG1-N 2.75Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; T101-F105 WeakPolarHBondContact O-CD2 3.43Å; T101-F105 PolarHBondContact O-N 2.73Å; T101-F105 VanDerWaalsContact O-N 3.16Å | ||
| 102 | K | 91.5 | Very high | 90.1 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 34% | 0.335 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -54.4 | -35.9 | 172.4 | -171.6 | 168.2 | -176.7 | 164.3 | 0 | 111.9 | F105 R106 Y117 E118 | K102-F105 PolarHBondContact O-N 3.43Å; K102-R106 WeakPolarHBondContact O-CG 3.42Å; K102-R106 PolarHBondContact O-N 3.31Å; K102-R106 VanDerWaalsContact O-N 3.13Å; K102-Y117 HydrophobicContact CB-CD1 3.66Å; K102-Y117 HydrophobicContact CB-CD2 4.03Å; K102-Y117 HydrophobicContact CB-CE1 3.72Å; K102-Y117 HydrophobicContact CB-CE2 4.08Å; K102-Y117 HydrophobicContact CB-CG 3.8Å; K102-Y117 HydrophobicContact CD-CD1 3.79Å; K102-Y117 HydrophobicContact CD-CE1 4.08Å; K102-Y117 HydrophobicContact CG-CD1 3.64Å; K102-Y117 HydrophobicContact CG-CE1 4.12Å; K102-Y117 HydrophobicContact CG-CG 3.89Å; K102-Y117 VanDerWaalsContact N-CE2 3.32Å; K102-E118 WeakPolarHBondContact CE-OE1 3.49Å; K102-E118 IonicContact NZ-OE1 3.18Å; K102-E118 PolarHBondContact NZ-OE1 3.08Å |
| 103 | E | 91.3 | Very high | 90.1 | Very high | 117 Ų | 117 | 60 Ų | 60 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 177.5 | -160.7 | -168.7 | -170 | 0 | 0 | 112.1 | T101 F105 R106 R107 | T101-E103 PolarHBondContact O-N 3.04Å; T101-E103 PolarHBondContact OG1-N 2.91Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.09Å; E103-R106 WeakPolarHBondContact O-CB 3.36Å; E103-R106 PolarHBondContact O-N 3.44Å; E103-R106 VanDerWaalsContact O-N 3.14Å; E103-R107 PolarHBondContact O-N 2.83Å; E103-R107 IonicContact OE1-NH1 2.95Å; E103-R107 PolarHBondContact OE1-NH1 2.9Å; E103-R107 IonicContact OE2-CZ 3.98Å; E103-R107 IonicContact OE2-NH1 3.03Å; E103-R107 PolarHBondContact OE2-NH1 2.8Å; E103-R107 IonicContact OE2-NH2 3.39Å; E103-R107 PolarHBondContact OE2-NH2 2.96Å |
| 104 | D | 92.4 | Very high | 90.1 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 176 | -63.8 | -51.8 | 0 | 0 | 0 | 112.4 | L100 T101 R107 R108 | L100-D104 HydrophobicContact CB-CB 3.95Å; L100-D104 HydrophobicContact CD2-CB 3.94Å; L100-D104 HydrophobicContact CG-CB 4.38Å; T101-D104 WeakPolarHBondContact CB-OD2 3.23Å; T101-D104 PolarHBondContact N-OD2 3.49Å; T101-D104 WeakPolarHBondContact O-CB 3.3Å; T101-D104 PolarHBondContact O-N 2.9Å; T101-D104 VanDerWaalsContact OG1-CG 3.24Å; T101-D104 PolarHBondContact OG1-N 2.75Å; T101-D104 PolarHBondContact OG1-OD2 3.37Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD1-CZ 2.66Å; D104-R107 IonicContact OD1-NE 3.42Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.35Å; D104-R108 WeakPolarHBondContact O-CB 3.35Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.18Å |
| 105 | F | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 173 | -88.9 | -93.4 | 0 | 0 | 0 | 111.8 | W72 F90 L97 L100 T101 K102 E103 R108 C109 G113 L116 Y117 L120 | W72-F105 HydrophobicContact CH2-CE1 4.02Å; W72-F105 HydrophobicContact CZ3-CE1 4.32Å; F90-F105 HydrophobicContact CD1-CE1 4.32Å; F90-F105 AromaticContact CE1-CD1 3.52Å; F90-F105 HydrophobicContact CE1-CD1 3.52Å; F90-F105 AromaticContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CE1 3.47Å; F90-F105 VanDerWaalsContact CE1-CE1 3.47Å; F90-F105 HydrophobicContact CE1-CG 4.31Å; F90-F105 HydrophobicContact CE1-CZ 4.25Å; F90-F105 AromaticContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CD1 3.76Å; F90-F105 HydrophobicContact CZ-CE1 4.08Å; L97-F105 HydrophobicContact CD1-CE1 3.99Å; L97-F105 HydrophobicContact CD1-CZ 3.58Å; L97-F105 HydrophobicContact CG-CZ 3.96Å; L100-F105 HydrophobicContact CB-CD2 3.71Å; L100-F105 HydrophobicContact CB-CE2 3.53Å; L100-F105 HydrophobicContact CD1-CD2 4.22Å; L100-F105 HydrophobicContact CD1-CE2 3.98Å; L100-F105 HydrophobicContact CD1-CZ 4.3Å; L100-F105 HydrophobicContact CG-CE2 4.35Å; T101-F105 WeakPolarHBondContact O-CD2 3.43Å; T101-F105 PolarHBondContact O-N 2.73Å; T101-F105 VanDerWaalsContact O-N 3.16Å; K102-F105 PolarHBondContact O-N 3.43Å; E103-F105 VanDerWaalsContact C-N 3.31Å; E103-F105 PolarHBondContact O-N 3.09Å; F105-R108 PolarHBondContact O-N 2.95Å; F105-C109 PolarHBondContact O-N 3.22Å; F105-G113 VanDerWaalsContact CB-O 3.24Å; F105-G113 WeakPolarHBondContact CB-O 3.33Å; F105-G113 WeakPolarHBondContact O-CA 3.1Å; F105-L116 HydrophobicContact CD1-CB 3.89Å; F105-L116 HydrophobicContact CE1-CB 4.14Å; F105-Y117 AromaticContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CG 4.36Å; F105-Y117 AromaticContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CG-CD2 4.37Å; F105-L120 HydrophobicContact CE2-CD2 3.98Å; F105-L120 HydrophobicContact CZ-CD2 3.6Å |
| 106 | R | 92.3 | Very high | 90.5 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 175 | -68.4 | -180 | 109.2 | 102.2 | 20.9 | 111.8 | K102 E103 C109 P110 D114 | K102-R106 WeakPolarHBondContact O-CG 3.42Å; K102-R106 PolarHBondContact O-N 3.31Å; K102-R106 VanDerWaalsContact O-N 3.13Å; E103-R106 WeakPolarHBondContact O-CB 3.36Å; E103-R106 PolarHBondContact O-N 3.44Å; E103-R106 VanDerWaalsContact O-N 3.14Å; R106-C109 CarbonylContact O-C 3.55Å; R106-C109 PolarHBondContact O-N 3.19Å; R106-P110 WeakPolarHBondContact O-CA 3.48Å; R106-D114 HydrophobicContact CG-CB 4.29Å; R106-D114 IonicContact CZ-OD2 2.88Å; R106-D114 IonicContact NH1-OD2 2.72Å; R106-D114 PolarHBondContact NH1-OD2 3.23Å; R106-D114 IonicContact NH2-OD2 3.55Å; R106-D114 PolarHBondContact NH2-OD2 2.9Å |
| 107 | R | 90.9 | Very high | 90.6 | Very high | 138 Ų | 138 | 55.6 Ų | 55.6 | 52% | 0.521 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 174.8 | -76.4 | -169.2 | -81 | -97.9 | -1.7 | 112.1 | E103 D104 | E103-R107 PolarHBondContact O-N 2.83Å; E103-R107 IonicContact OE1-NH1 2.95Å; E103-R107 PolarHBondContact OE1-NH1 2.9Å; E103-R107 IonicContact OE2-CZ 3.98Å; E103-R107 IonicContact OE2-NH1 3.03Å; E103-R107 PolarHBondContact OE2-NH1 2.8Å; E103-R107 IonicContact OE2-NH2 3.39Å; E103-R107 PolarHBondContact OE2-NH2 2.96Å; D104-R107 PolarHBondContact O-N 3.18Å; D104-R107 IonicContact OD1-CZ 2.66Å; D104-R107 IonicContact OD1-NE 3.42Å; D104-R107 IonicContact OD1-NH2 2.77Å; D104-R107 PolarHBondContact OD1-NH2 3.35Å |
| 108 | R | 90.1 | Very high | 90.4 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 33% | 0.332 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.4 | -23.3 | -179.9 | -69.7 | 170.1 | -176.6 | -81.4 | -3.5 | 113.3 | H89 F90 M92 D104 F105 | H89-R108 HydrophobicContact CB-CB 4.31Å; H89-R108 PolarHBondContact CD2-O 3.03Å; H89-R108 WeakPolarHBondContact O-CD 3.42Å; H89-R108 PolarHBondContact O-NH1 3.03Å; F90-R108 HydrophobicContact CE1-CB 4.22Å; F90-R108 HydrophobicContact CE2-CB 4.18Å; F90-R108 HydrophobicContact CZ-CB 3.82Å; M92-R108 VanDerWaalsContact CE-NH1 3.29Å; D104-R108 WeakPolarHBondContact O-CB 3.35Å; D104-R108 VanDerWaalsContact O-CG 3.29Å; D104-R108 WeakPolarHBondContact O-CG 3.33Å; D104-R108 PolarHBondContact O-N 3.18Å; F105-R108 PolarHBondContact O-N 2.95Å |
| 109 | C | 90.6 | Very high | 90.3 | Very high | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | trans | -149.1 | 84.8 | 178.3 | -167.5 | 0 | 0 | 0 | 0 | 110.2 | F90 F105 R106 S111 S112 G113 L116 | F90-C109 HydrophobicContact CE2-CB 4.04Å; F90-C109 HydrophobicContact CZ-CB 4.21Å; F105-C109 PolarHBondContact O-N 3.22Å; R106-C109 CarbonylContact O-C 3.55Å; R106-C109 PolarHBondContact O-N 3.19Å; C109-S111 PolarHBondContact O-N 2.77Å; C109-S111 VanDerWaalsContact O-N 3.15Å; C109-S112 PolarHBondContact O-N 3.29Å; C109-S112 PolarHBondContact SG-OG 2.94Å; C109-G113 VanDerWaalsContact O-CA 3.22Å; C109-G113 WeakPolarHBondContact O-CA 3.29Å; C109-G113 PolarHBondContact O-N 3.22Å; C109-L116 HydrophobicContact CB-CD1 4.42Å | ||
| 110 | P | 87.8 | Confident | 90.2 | Very high | 109 Ų | 109 | 51.6 Ų | 51.6 | 71% | 0.708 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -28.6 | -175.1 | -27 | 35.7 | 0 | 0 | 0 | 114.1 | R106 | R106-P110 WeakPolarHBondContact O-CA 3.48Š|
| 111 | S | 86.8 | Confident | 90 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 46% | 0.462 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -26.3 | -176.7 | 39.3 | 0 | 0 | 0 | 0 | 114.9 | C109 | C109-S111 PolarHBondContact O-N 2.77Å; C109-S111 VanDerWaalsContact O-N 3.15Å |
| 112 | S | 90.5 | Very high | 89.3 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -152.6 | 12.6 | -172.5 | 48.1 | 0 | 0 | 0 | 0 | 114.3 | C109 D114 V115 L116 | C109-S112 PolarHBondContact O-N 3.29Å; C109-S112 PolarHBondContact SG-OG 2.94Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 3.39Å; S112-V115 PolarHBondContact O-N 3.26Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.15Å |
| 113 | G | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -36.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F105 C109 L116 Y117 | F105-G113 VanDerWaalsContact CB-O 3.24Å; F105-G113 WeakPolarHBondContact CB-O 3.33Å; F105-G113 WeakPolarHBondContact O-CA 3.1Å; C109-G113 VanDerWaalsContact O-CA 3.22Å; C109-G113 WeakPolarHBondContact O-CA 3.29Å; C109-G113 PolarHBondContact O-N 3.22Å; G113-L116 PolarHBondContact O-N 2.99Å; G113-Y117 WeakPolarHBondContact O-CB 3.41Å; G113-Y117 PolarHBondContact O-N 3.32Å |
| 114 | D | 89.7 | Confident | 88 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 24% | 0.235 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 172.8 | 54.6 | -14.4 | 0 | 0 | 0 | 112.4 | R106 S112 Y117 E118 | R106-D114 HydrophobicContact CG-CB 4.29Å; R106-D114 IonicContact CZ-OD2 2.88Å; R106-D114 IonicContact NH1-OD2 2.72Å; R106-D114 PolarHBondContact NH1-OD2 3.23Å; R106-D114 IonicContact NH2-OD2 3.55Å; R106-D114 PolarHBondContact NH2-OD2 2.9Å; S112-D114 VanDerWaalsContact C-N 3.34Å; S112-D114 PolarHBondContact O-N 3.39Å; D114-Y117 PolarHBondContact O-N 2.91Å; D114-E118 WeakPolarHBondContact O-CG 3.44Å; D114-E118 PolarHBondContact O-N 3Å |
| 115 | V | 88.1 | Confident | 86.8 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 33% | 0.333 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 111 | L82 S112 Y117 E118 I119 | L82-V115 HydrophobicContact CD1-CG1 4.18Å; L82-V115 HydrophobicContact CD2-CB 4.33Å; L82-V115 HydrophobicContact CD2-CG1 4Å; S112-V115 PolarHBondContact O-N 3.26Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.36Å; V115-E118 PolarHBondContact O-N 3Å; V115-I119 HydrophobicContact CG1-CD1 3.79Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 2.67Å |
| 116 | L | 91.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.4 | -72.6 | 172.9 | 0 | 0 | 0 | 112.5 | W72 L73 A76 L82 P85 F90 F105 C109 S112 G113 I119 L120 | W72-L116 HydrophobicContact CH2-CB 4.17Å; W72-L116 HydrophobicContact CH2-CD2 4.16Å; W72-L116 HydrophobicContact CZ2-CD2 4.47Å; L73-L116 HydrophobicContact CD2-CD1 3.95Å; L73-L116 HydrophobicContact CD2-CD2 4.15Å; A76-L116 HydrophobicContact CB-CD2 3.82Å; L82-L116 HydrophobicContact CD1-CD2 3.75Å; L82-L116 HydrophobicContact CD1-CG 4.05Å; P85-L116 HydrophobicContact CG-CD1 4.42Å; F90-L116 HydrophobicContact CE2-CD1 4.33Å; F90-L116 HydrophobicContact CZ-CD1 4.3Å; F105-L116 HydrophobicContact CD1-CB 3.89Å; F105-L116 HydrophobicContact CE1-CB 4.14Å; C109-L116 HydrophobicContact CB-CD1 4.42Å; S112-L116 WeakPolarHBondContact O-CG 3.41Å; S112-L116 PolarHBondContact O-N 3.15Å; G113-L116 PolarHBondContact O-N 2.99Å; L116-I119 PolarHBondContact O-N 3.29Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 PolarHBondContact O-N 3.42Å |
| 117 | Y | 91.6 | Very high | 83.4 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 174.7 | 178.7 | -93.5 | 0 | 0 | 0 | 111.3 | K102 F105 G113 D114 V115 L120 Q121 | K102-Y117 HydrophobicContact CB-CD1 3.66Å; K102-Y117 HydrophobicContact CB-CD2 4.03Å; K102-Y117 HydrophobicContact CB-CE1 3.72Å; K102-Y117 HydrophobicContact CB-CE2 4.08Å; K102-Y117 HydrophobicContact CB-CG 3.8Å; K102-Y117 HydrophobicContact CD-CD1 3.79Å; K102-Y117 HydrophobicContact CD-CE1 4.08Å; K102-Y117 HydrophobicContact CG-CD1 3.64Å; K102-Y117 HydrophobicContact CG-CE1 4.12Å; K102-Y117 HydrophobicContact CG-CG 3.89Å; K102-Y117 VanDerWaalsContact N-CE2 3.32Å; F105-Y117 AromaticContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CD2 3.64Å; F105-Y117 HydrophobicContact CD2-CG 4.36Å; F105-Y117 AromaticContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CE2-CD2 3.94Å; F105-Y117 HydrophobicContact CG-CD2 4.37Å; G113-Y117 WeakPolarHBondContact O-CB 3.41Å; G113-Y117 PolarHBondContact O-N 3.32Å; D114-Y117 PolarHBondContact O-N 2.91Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.36Å; Y117-L120 PolarHBondContact O-N 2.85Å; Y117-Q121 HydrophobicContact CD1-CG 3.93Å; Y117-Q121 HydrophobicContact CE1-CG 3.51Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.26Å; Y117-Q121 VanDerWaalsContact O-CG 3.31Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 PolarHBondContact O-NE2 3.17Å |
| 118 | E | 88.2 | Confident | 81.2 | Confident | 80 Ų | 80 | 48.8 Ų | 48.8 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -42 | 175.9 | -67 | -47.1 | 140.2 | 0 | 0 | 111.4 | K102 D114 V115 L120 Q121 C122 | K102-E118 WeakPolarHBondContact CE-OE1 3.49Å; K102-E118 IonicContact NZ-OE1 3.18Å; K102-E118 PolarHBondContact NZ-OE1 3.08Å; D114-E118 WeakPolarHBondContact O-CG 3.44Å; D114-E118 PolarHBondContact O-N 3Å; V115-E118 PolarHBondContact O-N 3Å; E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.77Å; E118-Q121 CarbonylContact O-C 3.46Å; E118-Q121 PolarHBondContact O-N 3.34Å; E118-Q121 VanDerWaalsContact O-N 3.17Å; E118-C122 VanDerWaalsContact O-CB 3.31Å; E118-C122 WeakPolarHBondContact O-CB 3.3Å; E118-C122 PolarHBondContact O-N 3.1Å; E118-C122 PolarHBondContact O-SG 3.41Å |
| 119 | I | 88.1 | Confident | 78.7 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.5 | -44.7 | 173.6 | -67.5 | 162 | 0 | 0 | 0 | 110 | W72 W75 A76 Y80 L82 V115 L116 Q121 C122 V123 | W72-I119 HydrophobicContact CZ2-CB 4.41Å; W72-I119 HydrophobicContact CZ2-CG2 4.08Å; W75-I119 HydrophobicContact CH2-CG2 4.47Å; W75-I119 HydrophobicContact CZ3-CG2 3.88Å; A76-I119 HydrophobicContact CB-CD1 4.22Å; Y80-I119 HydrophobicContact CD1-CD1 4.18Å; Y80-I119 HydrophobicContact CD2-CD1 3.31Å; Y80-I119 HydrophobicContact CD2-CG1 4.1Å; Y80-I119 HydrophobicContact CE1-CD1 4.33Å; Y80-I119 HydrophobicContact CE1-CG1 4.29Å; Y80-I119 HydrophobicContact CE2-CD1 3.49Å; Y80-I119 VanDerWaalsContact CE2-CD1 3.49Å; Y80-I119 HydrophobicContact CE2-CG1 3.76Å; Y80-I119 HydrophobicContact CE2-CG2 4.26Å; Y80-I119 HydrophobicContact CG-CD1 3.68Å; L82-I119 HydrophobicContact CD1-CD1 4.23Å; V115-I119 HydrophobicContact CG1-CD1 3.79Å; V115-I119 HydrophobicContact CG1-CG1 4.33Å; V115-I119 VanDerWaalsContact O-CG1 3.23Å; V115-I119 WeakPolarHBondContact O-CG1 3.49Å; V115-I119 PolarHBondContact O-N 2.67Å; L116-I119 PolarHBondContact O-N 3.29Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; I119-Q121 PolarHBondContact O-N 3.42Å; I119-C122 CarbonylContact O-C 3.57Å; I119-C122 WeakPolarHBondContact O-CB 3.09Å; I119-C122 PolarHBondContact O-N 3.05Å; I119-V123 HydrophobicContact CG2-CG2 4.44Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.45Å; I119-V123 PolarHBondContact O-N 3.36Å |
| 120 | L | 89 | Confident | 76.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.8 | -178.1 | 63.1 | 0 | 0 | 0 | 111.9 | P61 W64 W72 L97 F105 L116 Y117 E118 V123 K124 | P61-L120 HydrophobicContact CB-CD1 3.62Å; P61-L120 HydrophobicContact CG-CD1 3.96Å; W64-L120 HydrophobicContact CH2-CD1 4.32Å; W64-L120 HydrophobicContact CZ3-CD1 4.09Å; W72-L120 HydrophobicContact CH2-CB 4.15Å; W72-L120 HydrophobicContact CZ2-CB 3.91Å; L97-L120 HydrophobicContact CD2-CD1 4.24Å; L97-L120 HydrophobicContact CD2-CD2 4.17Å; L97-L120 HydrophobicContact CG-CD2 3.97Å; F105-L120 HydrophobicContact CE2-CD2 3.98Å; F105-L120 HydrophobicContact CZ-CD2 3.6Å; L116-L120 WeakPolarHBondContact O-CB 3.39Å; L116-L120 PolarHBondContact O-N 3.42Å; Y117-L120 PolarHBondContact O-N 2.85Å; E118-L120 VanDerWaalsContact C-N 3.31Å; E118-L120 PolarHBondContact O-N 2.77Å; L120-V123 PolarHBondContact O-N 2.86Å; L120-K124 HydrophobicContact CG-CD 4.18Å; L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 VanDerWaalsContact O-CG 3.26Å; L120-K124 WeakPolarHBondContact O-CG 3.43Å; L120-K124 PolarHBondContact O-N 2.78Å |
| 121 | Q | 84.8 | Confident | 74 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 21% | 0.206 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.2 | -65.4 | -27.2 | -67.2 | 0 | 0 | 111.1 | Y117 E118 I119 V123 K124 Q125 | Y117-Q121 HydrophobicContact CD1-CG 3.93Å; Y117-Q121 HydrophobicContact CE1-CG 3.51Å; Y117-Q121 HydrophobicContact CE2-CG 4.44Å; Y117-Q121 VanDerWaalsContact CE2-NE2 3.26Å; Y117-Q121 VanDerWaalsContact O-CG 3.31Å; Y117-Q121 WeakPolarHBondContact O-CG 3.33Å; Y117-Q121 PolarHBondContact O-N 3.47Å; Y117-Q121 PolarHBondContact O-NE2 3.17Å; E118-Q121 CarbonylContact O-C 3.46Å; E118-Q121 PolarHBondContact O-N 3.34Å; E118-Q121 VanDerWaalsContact O-N 3.17Å; I119-Q121 VanDerWaalsContact C-N 3.35Å; I119-Q121 PolarHBondContact O-N 3.42Å; Q121-V123 VanDerWaalsContact C-N 3.35Å; Q121-V123 PolarHBondContact O-N 3.37Å; Q121-K124 CarbonylContact O-C 3.23Å; Q121-K124 WeakPolarHBondContact O-CB 3.34Å; Q121-K124 PolarHBondContact O-N 3.01Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; Q121-Q125 WeakPolarHBondContact O-CA 3.11Å; Q121-Q125 WeakPolarHBondContact O-CB 3.48Å; Q121-Q125 PolarHBondContact O-N 3.38Å |
| 122 | C | 77.7 | Confident | 71.5 | Confident | 65 Ų | 65 | 50 Ų | 50 | 44% | 0.439 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 171.7 | -75.8 | 0 | 0 | 0 | 0 | 109.9 | E118 I119 K124 Q125 Q126 | E118-C122 VanDerWaalsContact O-CB 3.31Å; E118-C122 WeakPolarHBondContact O-CB 3.3Å; E118-C122 PolarHBondContact O-N 3.1Å; E118-C122 PolarHBondContact O-SG 3.41Å; I119-C122 CarbonylContact O-C 3.57Å; I119-C122 WeakPolarHBondContact O-CB 3.09Å; I119-C122 PolarHBondContact O-N 3.05Å; C122-K124 VanDerWaalsContact C-N 3.32Å; C122-K124 PolarHBondContact O-N 3.43Å; C122-Q125 CarbonylContact O-C 3.45Å; C122-Q125 WeakPolarHBondContact O-CA 3.42Å; C122-Q125 PolarHBondContact O-N 2.78Å; C122-Q126 WeakPolarHBondContact O-CA 3.47Å; C122-Q126 VanDerWaalsContact O-CB 3.24Å; C122-Q126 WeakPolarHBondContact O-CB 3.31Å; C122-Q126 PolarHBondContact O-N 3.4Å |
| 123 | V | 80.6 | Confident | 68.4 | Low | 15 Ų | 15 | 58.3 Ų | 58.3 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 176 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L53 P61 W64 I119 L120 Q121 Q125 | L53-V123 HydrophobicContact CD1-CB 4.12Å; L53-V123 HydrophobicContact CD1-CG1 3.4Å; L53-V123 VanDerWaalsContact CD1-CG1 3.4Å; L53-V123 HydrophobicContact CD1-CG2 3.54Å; L53-V123 HydrophobicContact CD2-CG2 4.32Å; L53-V123 HydrophobicContact CG-CG2 4.19Å; P61-V123 HydrophobicContact CG-CB 4.35Å; P61-V123 HydrophobicContact CG-CG1 3.47Å; P61-V123 VanDerWaalsContact CG-CG1 3.47Å; W64-V123 HydrophobicContact CH2-CG1 4.33Å; W64-V123 HydrophobicContact CZ2-CG1 4.25Å; I119-V123 HydrophobicContact CG2-CG2 4.44Å; I119-V123 VanDerWaalsContact O-CG2 3.26Å; I119-V123 WeakPolarHBondContact O-CG2 3.45Å; I119-V123 PolarHBondContact O-N 3.36Å; L120-V123 PolarHBondContact O-N 2.86Å; Q121-V123 VanDerWaalsContact C-N 3.35Å; Q121-V123 PolarHBondContact O-N 3.37Å; V123-Q125 VanDerWaalsContact C-N 3.28Å; V123-Q125 PolarHBondContact O-N 3.26Å |
| 124 | K | 75.5 | Confident | 65.5 | Low | 69 Ų | 69 | 63.5 Ų | 63.5 | 30% | 0.3 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.4 | -30.3 | 173.9 | -69.2 | 165 | 68.9 | -169 | 0 | 112.2 | P61 L120 Q121 C122 | P61-K124 HydrophobicContact CG-CG 4.18Å; L120-K124 HydrophobicContact CG-CD 4.18Å; L120-K124 WeakPolarHBondContact O-CB 3.45Å; L120-K124 VanDerWaalsContact O-CG 3.26Å; L120-K124 WeakPolarHBondContact O-CG 3.43Å; L120-K124 PolarHBondContact O-N 2.78Å; Q121-K124 CarbonylContact O-C 3.23Å; Q121-K124 WeakPolarHBondContact O-CB 3.34Å; Q121-K124 PolarHBondContact O-N 3.01Å; Q121-K124 VanDerWaalsContact O-N 3.17Å; C122-K124 VanDerWaalsContact C-N 3.32Å; C122-K124 PolarHBondContact O-N 3.43Å |
| 125 | Q | 66.1 | Low | 63.2 | Low | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -95.4 | -24.9 | -175.1 | -170.2 | 66 | 39 | 0 | 0 | 113.3 | Q121 C122 V123 R127 R128 S129 | Q121-Q125 WeakPolarHBondContact O-CA 3.11Å; Q121-Q125 WeakPolarHBondContact O-CB 3.48Å; Q121-Q125 PolarHBondContact O-N 3.38Å; C122-Q125 CarbonylContact O-C 3.45Å; C122-Q125 WeakPolarHBondContact O-CA 3.42Å; C122-Q125 PolarHBondContact O-N 2.78Å; V123-Q125 VanDerWaalsContact C-N 3.28Å; V123-Q125 PolarHBondContact O-N 3.26Å; Q125-R127 PolarHBondContact O-N 3.2Å; Q125-R128 HydrophobicContact CG-CB 4.5Å; Q125-R128 VanDerWaalsContact NE2-CB 3.34Å; Q125-R128 CarbonylContact O-C 3.55Å; Q125-R128 VanDerWaalsContact O-C 3.23Å; Q125-R128 WeakPolarHBondContact O-CA 3.38Å; Q125-R128 WeakPolarHBondContact O-CB 3.19Å; Q125-R128 PolarHBondContact O-N 3.27Å; Q125-S129 WeakPolarHBondContact O-CB 3.16Å; Q125-S129 PolarHBondContact O-N 3.34Å |
| 126 | Q | 59 | Low | 60.5 | Low | 52 Ų | 52 | 71.8 Ų | 71.8 | 24% | 0.243 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 171.1 | -150.1 | 72.6 | 15 | 0 | 0 | 107.2 | W51 C122 R128 S129 V130 | W51-Q126 VanDerWaalsContact CD1-NE2 3.26Å; W51-Q126 HydrophobicContact CD2-CG 4.35Å; W51-Q126 VanDerWaalsContact CD2-NE2 3.33Å; W51-Q126 HydrophobicContact CE3-CG 4.35Å; W51-Q126 HydrophobicContact CG-CG 4.44Å; C122-Q126 WeakPolarHBondContact O-CA 3.47Å; C122-Q126 VanDerWaalsContact O-CB 3.24Å; C122-Q126 WeakPolarHBondContact O-CB 3.31Å; C122-Q126 PolarHBondContact O-N 3.4Å; Q126-R128 PolarHBondContact O-N 3.46Å; Q126-S129 CarbonylContact O-C 3.39Å; Q126-S129 PolarHBondContact O-N 2.98Å; Q126-V130 HydrophobicContact CB-CG2 4.47Å; Q126-V130 HydrophobicContact CG-CG2 3.77Å; Q126-V130 WeakPolarHBondContact O-CB 3.45Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.45Å |
| 127 | R | 55.3 | Low | 57.8 | Low | 55 Ų | 55 | 78 Ų | 78 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -74 | -7.4 | 168.5 | -62.2 | -171.1 | 61.4 | 154.8 | -3.5 | 114.9 | R58 I59 Q125 C273 Q347 | R58-R127 PolarHBondContact O-NH1 3.06Å; I59-R127 VanDerWaalsContact C-NH1 3.33Å; Q125-R127 PolarHBondContact O-N 3.2Å; R127-C273 PolarHBondContact NH2-SG 3.14Å; R127-Q347 PolarHBondContact O-NE2 2.89Å |
| 128 | R | 45 | Very low | 55.3 | Low | 124 Ų | 124 | 80.7 Ų | 80.7 | 47% | 0.468 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -98.7 | -16.7 | 166.3 | -61.7 | 173.6 | 156.8 | 173.4 | 0.2 | 112 | Q125 Q126 Q347 | Q125-R128 HydrophobicContact CG-CB 4.5Å; Q125-R128 VanDerWaalsContact NE2-CB 3.34Å; Q125-R128 CarbonylContact O-C 3.55Å; Q125-R128 VanDerWaalsContact O-C 3.23Å; Q125-R128 WeakPolarHBondContact O-CA 3.38Å; Q125-R128 WeakPolarHBondContact O-CB 3.19Å; Q125-R128 PolarHBondContact O-N 3.27Å; Q126-R128 PolarHBondContact O-N 3.46Å; R128-Q347 HydrophobicContact CB-CG 4.2Å; R128-Q347 VanDerWaalsContact CG-CD 3.49Å; R128-Q347 HydrophobicContact CG-CG 4.28Å; R128-Q347 VanDerWaalsContact CG-NE2 3.34Å |
| 129 | S | 37 | Very low | 52.6 | Low | 45 Ų | 45 | 81.4 Ų | 81.4 | 32% | 0.315 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -125 | -15 | -164.6 | -167.5 | 0 | 0 | 0 | 0 | 116 | Q125 Q126 V131 C132 | Q125-S129 WeakPolarHBondContact O-CB 3.16Å; Q125-S129 PolarHBondContact O-N 3.34Å; Q126-S129 CarbonylContact O-C 3.39Å; Q126-S129 PolarHBondContact O-N 2.98Å; S129-V131 PolarHBondContact O-N 3.05Å; S129-C132 PolarHBondContact O-N 3.24Å |
| 130 | V | 40.3 | Very low | 50.5 | Low | 96 Ų | 96 | 87.2 Ų | 87.2 | 58% | 0.582 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 7 | 166.6 | 178.9 | 0 | 0 | 0 | 0 | 111.1 | Q126 | Q126-V130 HydrophobicContact CB-CG2 4.47Å; Q126-V130 HydrophobicContact CG-CG2 3.77Å; Q126-V130 WeakPolarHBondContact O-CB 3.45Å; Q126-V130 WeakPolarHBondContact O-CG2 3.37Å; Q126-V130 PolarHBondContact O-N 3.45Å |
| 131 | V | 40.8 | Very low | 48.1 | Very low | 55 Ų | 55 | 91.8 Ų | 91.8 | 33% | 0.333 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -3.1 | 177.9 | 166.5 | 0 | 0 | 0 | 0 | 111.6 | S129 L345 | S129-V131 PolarHBondContact O-N 3.05Å; V131-L345 HydrophobicContact CB-CD1 3.78Å; V131-L345 HydrophobicContact CB-CD2 3.56Å; V131-L345 HydrophobicContact CB-CG 3.99Å; V131-L345 HydrophobicContact CG1-CB 3.94Å; V131-L345 HydrophobicContact CG1-CD1 3.41Å; V131-L345 VanDerWaalsContact CG1-CD1 3.41Å; V131-L345 HydrophobicContact CG1-CD2 3.51Å; V131-L345 HydrophobicContact CG1-CG 3.58Å; V131-L345 HydrophobicContact CG2-CD1 3.09Å; V131-L345 HydrophobicContact CG2-CD2 3.3Å; V131-L345 HydrophobicContact CG2-CG 3.56Å |
| 132 | C | 33 | Very low | 45.7 | Very low | 96 Ų | 96 | 96.7 Ų | 96.7 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -136.9 | 65.6 | 176.3 | -70 | 0 | 0 | 0 | 0 | 110.4 | S129 | S129-C132 PolarHBondContact O-N 3.24Š|
| 133 | Q | 27.1 | Very low | 43.6 | Very low | 179 Ų | 179 | 97.4 Ų | 97.4 | 84% | 0.836 | 59% | 0.594 | S | S | * | * | trans | -140.8 | 107.1 | 145.4 | -69.9 | -162.1 | 49.1 | 0 | 0 | 108.5 | ||||
| 134 | S | 26.8 | Very low | 41.2 | Very low | 110 Ų | 110 | 100.3 Ų | 100.3 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -110.4 | 137.5 | 155.9 | -166.2 | 0 | 0 | 0 | 0 | 106.1 | N136 | S134-N136 PolarHBondContact O-N 3.06Š| ||
| 135 | P | 42.2 | Very low | 39.1 | Very low | 113 Ų | 113 | 105.2 Ų | 105.2 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | trans | -64.3 | 122 | -176.3 | 25.3 | -31.6 | 0 | 0 | 0 | 109.5 | V137 | P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | N | 30.7 | Very low | 37.8 | Very low | 160 Ų | 160 | 107.2 Ų | 107.2 | 86% | 0.856 | 66% | 0.664 | S | S | * | * | trans | -68.5 | 106.5 | 176.7 | -162.7 | 7.1 | 0 | 0 | 0 | 108.5 | S134 S138 | S134-N136 PolarHBondContact O-N 3.06Å; N136-S138 PolarHBondContact O-N 2.76Å | ||
| 137 | V | 35.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 113 Ų | 113 | 79% | 0.788 | 69% | 0.691 | S | S | * | * | trans | -71.8 | 119.3 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | P135 | P135-V137 PolarHBondContact O-N 3.15Å; P135-V137 VanDerWaalsContact O-N 3.08Å | ||
| 138 | S | 39 | Very low | 35.4 | Very low | 109 Ų | 109 | 114.7 Ų | 114.7 | 76% | 0.762 | 72% | 0.716 | S | S | * | * | trans | -49.9 | 137 | 170.4 | -39.8 | 0 | 0 | 0 | 0 | 113.1 | N136 | N136-S138 PolarHBondContact O-N 2.76Š| ||
| 139 | A | 31.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 78% | 0.777 | 73% | 0.728 | S | S | * | * | 169.9 | 166.7 | 129.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 140 | P | 43.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 84% | 0.844 | 75% | 0.752 | S | S | * | * | -120.2 | 173.5 | -85.6 | 28.6 | -8.2 | 0 | 0 | 0 | 113.4 | |||||
| 141 | A | 39.4 | Very low | 34.2 | Very low | 96 Ų | 96 | 118.8 Ų | 118.8 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | trans | -70.1 | 145.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 142 | V | 33.3 | Very low | 33.5 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | trans | -152.4 | 100.9 | 144.9 | -178 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 143 | G | 33.4 | Very low | 33.2 | Very low | 80 Ų | 80 | 127.3 Ų | 127.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | 74.1 | 120.4 | 93.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 144 | G | 31.1 | Very low | 33.5 | Very low | 77 Ų | 77 | 125.7 Ų | 125.7 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | cis | 179.8 | -173.7 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 145 | H | 32.2 | Very low | 33.9 | Very low | 171 Ų | 171 | 126.6 Ų | 126.6 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | 101.5 | 95.2 | 156.1 | -139.9 | 52.4 | 0 | 0 | 0 | 121.4 | ||||
| 146 | I | 36.9 | Very low | 33.3 | Very low | 132 Ų | 132 | 125.7 Ų | 125.7 | 68% | 0.677 | 78% | 0.782 | S | S | * | * | trans | 29.2 | 121.2 | 132.2 | -38.9 | -179.8 | 0 | 0 | 0 | 120.2 | ||||
| 147 | Q | 30.1 | Very low | 33.3 | Very low | 175 Ų | 175 | 127.9 Ų | 127.9 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 168.8 | 127.5 | 112.3 | -90.2 | -175.3 | 16.5 | 0 | 0 | 112.4 | |||||
| 148 | A | 34.9 | Very low | 32.9 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 155.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 149 | P | 39.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -141.8 | 140.9 | 110.2 | 18 | 4.6 | 0 | 0 | 0 | 112.8 | |||||
| 150 | V | 27.8 | Very low | 32 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | 65.7 | 105.4 | 89 | -179.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 151 | S | 29.6 | Very low | 31.4 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 23.5 | 129.3 | 130.3 | -153.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 152 | S | 25 | Very low | 31.3 | Very low | 94 Ų | 94 | 132.9 Ų | 132.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | 150.7 | 131.4 | 107.5 | 57 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 153 | R | 27.1 | Very low | 31 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | 163.1 | 121.6 | 115.5 | -87.8 | 175.7 | -175.8 | -168.8 | -0 | 112.5 | |||||
| 154 | I | 33.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 134.1 Ų | 134.1 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | trans | -78.3 | 154.9 | 158 | -62.2 | 164.2 | 0 | 0 | 0 | 107.8 | ||||
| 155 | P | 36 | Very low | 30.5 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | -129 | 142.8 | 115.9 | 6.6 | 14.8 | 0 | 0 | 0 | 113.7 | |||||
| 156 | S | 29.3 | Very low | 30.2 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -77.1 | 150.1 | 178.9 | -38.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 157 | H | 31.1 | Very low | 29.8 | Very low | 207 Ų | 207 | 132.9 Ų | 132.9 | 96% | 0.958 | 76% | 0.76 | S | S | * | * | trans | -146 | 140.5 | 138.1 | -90.8 | -77.5 | 0 | 0 | 0 | 110 | ||||
| 158 | S | 26.7 | Very low | 29.6 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -98.3 | -174.3 | -162.7 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 159 | V | 25.7 | Very low | 29.3 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 76% | 0.758 | 76% | 0.76 | S | S | * | * | trans | 102.9 | 126.6 | 167.1 | -173.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 160 | Q | 26.7 | Very low | 29 | Very low | 176 Ų | 176 | 129.6 Ų | 129.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | cis | -174.1 | 142.9 | -11.9 | -175.4 | 166.9 | -14.1 | 0 | 0 | 106.3 | ||||
| 161 | E | 30.3 | Very low | 30 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | trans | -69.6 | 164.2 | 168.9 | -148.4 | -160 | 75.3 | 0 | 0 | 110.6 | Q163 | E161-Q163 VanDerWaalsContact OE1-CG 3.24Å; E161-Q163 WeakPolarHBondContact OE1-CG 3.33Å; E161-Q163 PolarHBondContact OE1-N 3.32Å; E161-Q163 PolarHBondContact OE2-NE2 2.92Å | ||
| 162 | P | 37.4 | Very low | 30.2 | Very low | 124 Ų | 124 | 128.2 Ų | 128.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | -147.2 | 153.8 | 91.9 | 33 | -14 | 0 | 0 | 0 | 116.4 | |||||
| 163 | Q | 26.8 | Very low | 30.5 | Very low | 141 Ų | 141 | 132.4 Ų | 132.4 | 66% | 0.659 | 76% | 0.76 | S | S | * | * | trans | -77.2 | 151.9 | 172.2 | -82.1 | 171.9 | 35.5 | 0 | 0 | 116.8 | E161 | E161-Q163 VanDerWaalsContact OE1-CG 3.24Å; E161-Q163 WeakPolarHBondContact OE1-CG 3.33Å; E161-Q163 PolarHBondContact OE1-N 3.32Å; E161-Q163 PolarHBondContact OE2-NE2 2.92Å | ||
| 164 | S | 26.4 | Very low | 30.7 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | 67.3 | 148 | 140.2 | -56.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 165 | A | 27.2 | Very low | 30.6 | Very low | 79 Ų | 79 | 125.6 Ų | 125.6 | 65% | 0.653 | 76% | 0.755 | S | S | * | * | cis | -169.4 | 172.5 | 20.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 166 | I | 27 | Very low | 30.3 | Very low | 154 Ų | 154 | 124.2 Ų | 124.2 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 91.4 | 109.3 | 137 | -75.1 | 164.7 | 0 | 0 | 0 | 121.3 | ||||
| 167 | V | 28.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 125.6 Ų | 125.6 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | 100.5 | 126.1 | 123.8 | 164.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 168 | S | 25.9 | Very low | 31 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 57.9 | 140 | 149.3 | -73.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 169 | G | 27.2 | Very low | 31.6 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | cis | -173 | 159.8 | 9.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 170 | S | 33.1 | Very low | 32.2 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -70.2 | 165.1 | 155.4 | -106.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 171 | P | 48.8 | Very low | 32.4 | Very low | 108 Ų | 108 | 118.3 Ų | 118.3 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -154.1 | 166.6 | 47.5 | 43.2 | -21.4 | 0 | 0 | 0 | 119.3 | ||||
| 172 | V | 33.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 117.5 Ų | 117.5 | 62% | 0.624 | 78% | 0.776 | S | S | * | * | trans | 29.4 | 135 | 142.6 | -57.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 173 | F | 31.4 | Very low | 32.4 | Very low | 182 Ų | 182 | 117.4 Ų | 117.4 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | 173 | 135.7 | 104.5 | -92.6 | -63.5 | 0 | 0 | 0 | 114.8 | |||||
| 174 | L | 31.4 | Very low | 32.6 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | 58.1 | 121.9 | 136.5 | -73 | 158.3 | 0 | 0 | 0 | 125.3 | ||||
| 175 | A | 31.6 | Very low | 32.7 | Very low | 91 Ų | 91 | 114.8 Ų | 114.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | 60.6 | 129.2 | 121.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 176 | A | 30.7 | Very low | 32.8 | Very low | 100 Ų | 100 | 118.4 Ų | 118.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | 165.5 | 141.7 | 97.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 177 | S | 41.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 118 Ų | 118 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -82.3 | 148.6 | 158.8 | -63.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 178 | A | 32.9 | Very low | 33.7 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 87% | 0.868 | 78% | 0.782 | S | S | * | * | trans | -170.4 | 143.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 179 | A | 38.7 | Very low | 34.1 | Very low | 94 Ų | 94 | 118.8 Ų | 118.8 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | trans | -87.9 | 161.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 180 | V | 38.2 | Very low | 34.8 | Very low | 140 Ų | 140 | 120.5 Ų | 120.5 | 85% | 0.848 | 77% | 0.771 | S | S | * | * | trans | -150 | 109.1 | 155.5 | -73.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 181 | V | 32.4 | Very low | 34.7 | Very low | 130 Ų | 130 | 121.4 Ų | 121.4 | 79% | 0.788 | 77% | 0.766 | S | S | * | * | 47.8 | 106.9 | 86.9 | -168.2 | 0 | 0 | 0 | 0 | 114.7 | T183 | V181-T183 HydrophobicContact CG1-CG2 4.3Š| |||
| 182 | A | 34.1 | Very low | 33.8 | Very low | 108 Ų | 108 | 121.4 Ų | 121.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -140.1 | 132.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 183 | T | 32.6 | Very low | 34.4 | Very low | 121 Ų | 121 | 122.2 Ų | 122.2 | 74% | 0.742 | 78% | 0.775 | S | S | * | * | trans | -96.6 | 147.9 | -166.9 | 40.3 | 0 | 0 | 0 | 0 | 113.5 | V181 | V181-T183 HydrophobicContact CG1-CG2 4.3Š| ||
| 184 | A | 32.2 | Very low | 34.3 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 61.3 | 148.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 185 | S | 28.5 | Very low | 34.4 | Very low | 98 Ų | 98 | 123.9 Ų | 123.9 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | cis | -167.3 | 137.1 | 21 | 179.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 186 | N | 28.3 | Very low | 34.6 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | 168.4 | 108.3 | 125 | -84.5 | -9.4 | 0 | 0 | 0 | 112.1 | |||||
| 187 | Q | 29.9 | Very low | 34.8 | Very low | 145 Ų | 145 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -83.3 | 168.2 | 154.6 | -95.9 | -89.7 | -25.1 | 0 | 0 | 108.5 | E189 | Q187-E189 VanDerWaalsContact OE1-CG 3.27Š| ||
| 188 | P | 44.7 | Very low | 35 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | cis | -140.5 | 155 | 35.4 | 33.7 | -9.6 | 0 | 0 | 0 | 121.4 | ||||
| 189 | E | 33.8 | Very low | 35.4 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | trans | -15.3 | 156.3 | 144.2 | -81.2 | -79.8 | 127.7 | 0 | 0 | 117.4 | Q187 | Q187-E189 VanDerWaalsContact OE1-CG 3.27Š| ||
| 190 | P | 42 | Very low | 35.3 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -158.5 | 156.3 | 68 | 37.2 | -12.9 | 0 | 0 | 0 | 122.1 | |||||
| 191 | I | 31.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | trans | 76 | 106.8 | 136.5 | -60.9 | 158.7 | 0 | 0 | 0 | 120 | ||||
| 192 | S | 29.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | 22.2 | 161.3 | 127.3 | -48.9 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 193 | P | 46.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 140.9 Ų | 140.9 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | cis | -145.8 | 165.2 | 24.4 | 39.1 | -16.6 | 0 | 0 | 0 | 119.8 | ||||
| 194 | L | 30.6 | Very low | 36.1 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -31.2 | 142.6 | 146.4 | -159.6 | 94.5 | 0 | 0 | 0 | 115 | ||||
| 195 | R | 32.4 | Very low | 36 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | 165.8 | 109.1 | 124.2 | -175.5 | 164.3 | -179.3 | 174.1 | 2.8 | 113.5 | |||||
| 196 | E | 36.1 | Very low | 36.2 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | 6.8 | 129.1 | 131.3 | -71.4 | -90.5 | 141.8 | 0 | 0 | 118 | ||||
| 197 | R | 35.3 | Very low | 37.2 | Very low | 214 Ų | 214 | 143 Ų | 143 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -172 | 165.8 | 145.8 | -110.2 | -168.5 | 179.4 | 137.8 | -1.4 | 113.4 | ||||
| 198 | P | 45 | Very low | 37.4 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | -119.5 | -176.9 | -127.5 | 33.3 | -11.2 | 0 | 0 | 0 | 113.3 | |||||
| 199 | P | 42.2 | Very low | 36.9 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | trans | -86.3 | 131.6 | 170.2 | 33.2 | -28.5 | 0 | 0 | 0 | 110.8 | ||||
| 200 | V | 36.2 | Very low | 37 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | -105.7 | 116.4 | 173.2 | 178.2 | 0 | 0 | 0 | 0 | 109.2 | Y202 | V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE2 4.4Å | ||
| 201 | F | 35.4 | Very low | 36.6 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | -80 | 144.3 | 159.5 | -114.6 | -97.2 | 0 | 0 | 0 | 109.4 | ||||
| 202 | Y | 33.7 | Very low | 36.9 | Very low | 212 Ų | 212 | 148.5 Ų | 148.5 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | trans | -166.5 | 161.1 | 153.1 | -95.6 | -52.9 | 0 | 0 | 0 | 110.4 | V200 | V200-Y202 HydrophobicContact CG1-CD2 3.92Å; V200-Y202 HydrophobicContact CG1-CE2 4.4Å | ||
| 203 | P | 51.4 | Low | 36.9 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | -128.5 | 172.4 | -119.9 | 40.5 | -23.2 | 0 | 0 | 0 | 116 | |||||
| 204 | Y | 32.5 | Very low | 36.3 | Very low | 212 Ų | 212 | 146.9 Ų | 146.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | trans | 19.4 | 133 | 150.2 | -110.1 | -105.7 | 0 | 0 | 0 | 120.1 | ||||
| 205 | S | 30.5 | Very low | 36.5 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | -170.4 | 160.4 | 85.3 | -69.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 206 | A | 32.8 | Very low | 36.4 | Very low | 82 Ų | 82 | 138.7 Ų | 138.7 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | -93.4 | -149 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 207 | P | 49.7 | Very low | 36.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -131.9 | -170 | -77 | 35.7 | -16.3 | 0 | 0 | 0 | 115.8 | |||||
| 208 | L | 33.4 | Very low | 36.9 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | 93.1 | 130.1 | 151.6 | -70.3 | 166.9 | 0 | 0 | 0 | 121.9 | ||||
| 209 | T | 34.9 | Very low | 36.1 | Very low | 145 Ų | 145 | 132.3 Ų | 132.3 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | -163.8 | 120.6 | 117.2 | 32.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 210 | H | 36.3 | Very low | 35.6 | Very low | 180 Ų | 180 | 134.1 Ų | 134.1 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -134.6 | 156.7 | 135.2 | 66.6 | -93.9 | 0 | 0 | 0 | 107.9 | ||||
| 211 | N | 33.4 | Very low | 36.2 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -78.2 | 149.8 | -148.9 | -121.2 | -3.6 | 0 | 0 | 0 | 116.2 | ||||
| 212 | I | 36.7 | Very low | 36.9 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | trans | 64.6 | 119.5 | 139.3 | -62.2 | 160.9 | 0 | 0 | 0 | 120 | ||||
| 213 | G | 30.6 | Very low | 36.7 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 78% | 0.777 | S | S | * | * | 126 | 94.9 | 127.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 214 | S | 33 | Very low | 35.6 | Very low | 127 Ų | 127 | 128 Ų | 128 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | trans | 15.5 | 149 | 139.7 | -67 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 215 | A | 34.4 | Very low | 35.5 | Very low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -175.5 | 167.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 216 | A | 32.1 | Very low | 35.7 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | 85.8 | 113.7 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 217 | V | 31.9 | Very low | 35.4 | Very low | 134 Ų | 134 | 129 Ų | 129 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -69.8 | 170.2 | 148.8 | -140.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 218 | P | 48.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | cis | -146.8 | -178.7 | 17.3 | 40 | -17.4 | 0 | 0 | 0 | 117.4 | ||||
| 219 | A | 28.4 | Very low | 34.9 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | trans | 132.3 | 127.3 | 134.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 220 | L | 32 | Very low | 34.7 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -62.8 | -177.8 | 158.5 | -74.3 | 159.4 | 0 | 0 | 0 | 111.7 | ||||
| 221 | P | 49.9 | Very low | 34.3 | Very low | 114 Ų | 114 | 131.1 Ų | 131.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -133 | -134.1 | -23.7 | 27.9 | -1.4 | 0 | 0 | 0 | 110.8 | ||||
| 222 | P | 49 | Very low | 34.2 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | -121.2 | 174.6 | -80 | 34.7 | -17.1 | 0 | 0 | 0 | 115.7 | |||||
| 223 | N | 28.8 | Very low | 34.3 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | trans | 87.4 | 137.9 | 140.1 | -127.1 | 2.3 | 0 | 0 | 0 | 122.3 | ||||
| 224 | Q | 28.9 | Very low | 34.1 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | trans | 96.5 | 124.1 | 141.4 | -86.3 | -178.3 | 77.1 | 0 | 0 | 123.6 | ||||
| 225 | I | 30.9 | Very low | 34.3 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 68% | 0.677 | 78% | 0.783 | S | S | * | * | trans | 86 | 101.8 | 142 | -58.2 | 164 | 0 | 0 | 0 | 119.5 | ||||
| 226 | Q | 33.6 | Very low | 34 | Very low | 183 Ų | 183 | 139.8 Ų | 139.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | 37.4 | 110.3 | 120.2 | -149.8 | 167.2 | 20.2 | 0 | 0 | 119.9 | |||||
| 227 | S | 26.6 | Very low | 34.1 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -165.6 | 117.9 | 144.7 | 58 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 228 | L | 31.2 | Very low | 34.3 | Very low | 166 Ų | 166 | 141.3 Ų | 141.3 | 87% | 0.869 | 78% | 0.78 | S | S | * | * | trans | -71.5 | 166.8 | 151.4 | -91.4 | 131.1 | 0 | 0 | 0 | 109 | ||||
| 229 | P | 41.7 | Very low | 33.6 | Very low | 107 Ų | 107 | 142.2 Ų | 142.2 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -139.5 | 177.3 | 4.3 | 36.2 | -14.6 | 0 | 0 | 0 | 116 | ||||
| 230 | L | 30.2 | Very low | 33.6 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 73.3 | 113.2 | 147 | -134.5 | 144.3 | 0 | 0 | 0 | 119.4 | ||||
| 231 | K | 28.8 | Very low | 34 | Very low | 199 Ų | 199 | 144.5 Ų | 144.5 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | -177.5 | 156.3 | 120.7 | -108.9 | -178.1 | 177.9 | -179.5 | 0 | 117.1 | |||||
| 232 | E | 31.9 | Very low | 33 | Very low | 166 Ų | 166 | 144 Ų | 144 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -69.9 | 150.9 | -177.2 | -177.9 | 165.8 | -163.4 | 0 | 0 | 116.3 | ||||
| 233 | S | 37.6 | Very low | 32.5 | Very low | 102 Ų | 102 | 144.2 Ų | 144.2 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | 52.7 | 129.9 | 152.9 | 69.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 234 | V | 27.2 | Very low | 32.7 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | -178.1 | 146.4 | 118.9 | 152.7 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 235 | I | 37.9 | Very low | 33.2 | Very low | 154 Ų | 154 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -70.5 | 142.6 | -169.5 | -63.6 | 154.4 | 0 | 0 | 0 | 113.9 | ||||
| 236 | Q | 26.2 | Very low | 33.4 | Very low | 189 Ų | 189 | 153.2 Ų | 153.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -174.6 | 131.6 | 124.4 | -109.5 | 174.9 | -8.4 | 0 | 0 | 115.4 | |||||
| 237 | E | 35.2 | Very low | 33.5 | Very low | 150 Ų | 150 | 150.8 Ų | 150.8 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -64.9 | 155.8 | 160.1 | -135.4 | -177.5 | 107.5 | 0 | 0 | 110.7 | ||||
| 238 | P | 36.2 | Very low | 34 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | -146.2 | 143.3 | 77.2 | 32.4 | -11.5 | 0 | 0 | 0 | 116.8 | |||||
| 239 | L | 32.8 | Very low | 34.1 | Very low | 134 Ų | 134 | 151.3 Ų | 151.3 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | trans | 22.3 | 107.5 | 138.3 | -58.2 | 167.3 | 0 | 0 | 0 | 120 | ||||
| 240 | N | 28.9 | Very low | 34 | Very low | 150 Ų | 150 | 152.9 Ų | 152.9 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | 179 | 153 | 109.2 | -111 | -81 | 0 | 0 | 0 | 114.8 | |||||
| 241 | L | 39.6 | Very low | 34.3 | Very low | 164 Ų | 164 | 152.4 Ų | 152.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -67.8 | 137 | -171.7 | -61.3 | 140.1 | 0 | 0 | 0 | 113.5 | ||||
| 242 | S | 30.7 | Very low | 34.9 | Very low | 104 Ų | 104 | 152.1 Ų | 152.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -172.8 | 118.6 | 134.5 | -169 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 243 | S | 38.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 151.5 Ų | 151.5 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | 53.1 | 84.2 | 136.8 | -39.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 244 | R | 32.1 | Very low | 36.2 | Very low | 219 Ų | 219 | 148.2 Ų | 148.2 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | trans | -136.1 | 94.2 | 147 | -160 | 165.7 | 177.9 | 170.4 | -0.7 | 109.5 | R246 | R244-R246 PolarHBondContact O-N 3.42Š| ||
| 245 | E | 38.5 | Very low | 37.7 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | trans | -55.4 | 108.5 | 163.3 | -69.6 | -171.5 | 133.8 | 0 | 0 | 108 | ||||
| 246 | R | 36.8 | Very low | 38.9 | Very low | 201 Ų | 201 | 138.7 Ų | 138.7 | 76% | 0.758 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 135.3 | 164.7 | -70.8 | -176.2 | -172.5 | 177.1 | 2.5 | 107.8 | R244 R248 | R244-R246 PolarHBondContact O-N 3.42Å; R246-R248 PolarHBondContact O-N 3.42Å; R246-R248 VanDerWaalsContact O-N 3.09Å |
| 247 | P | 35.2 | Very low | 40.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 86% | 0.857 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 117.9 | 176.3 | -18.8 | 29.9 | 0 | 0 | 0 | 109 | S249 | P247-S249 PolarHBondContact O-N 3.22Š|
| 248 | R | 35.9 | Very low | 42.6 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 75% | 0.751 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 124.1 | 178 | -68.2 | 171.2 | 174.3 | 113.6 | 1.1 | 107.7 | R246 | R246-R248 PolarHBondContact O-N 3.42Å; R246-R248 VanDerWaalsContact O-N 3.09Å |
| 249 | S | 33.5 | Very low | 43.5 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 145.8 | 168.9 | 43.1 | 0 | 0 | 0 | 0 | 111.1 | P247 L251 | P247-S249 PolarHBondContact O-N 3.22Å; S249-L251 VanDerWaalsContact C-N 3.25Å; S249-L251 PolarHBondContact O-N 2.81Å |
| 250 | P | 39.7 | Very low | 44.9 | Very low | 139 Ų | 139 | 126 Ų | 126 | 90% | 0.903 | 64% | 0.635 | S | S | * | * | trans | -78.6 | 76.6 | 175.2 | 10.3 | 4.5 | 0 | 0 | 0 | 109.8 | ||||
| 251 | L | 37.1 | Very low | 46.8 | Very low | 145 Ų | 145 | 119.1 Ų | 119.1 | 76% | 0.759 | 60% | 0.598 | S | S | * | * | trans | -105 | 113.5 | 162.4 | -155.4 | 75.1 | 0 | 0 | 0 | 106.6 | S249 K253 | S249-L251 VanDerWaalsContact C-N 3.25Å; S249-L251 PolarHBondContact O-N 2.81Å; L251-K253 PolarHBondContact O-N 3.45Å | ||
| 252 | H | 41.9 | Very low | 48.6 | Very low | 192 Ų | 192 | 120.8 Ų | 120.8 | 89% | 0.889 | 59% | 0.593 | S | S | * | * | trans | -45.1 | 102.1 | -179.1 | -91.4 | 103.2 | 0 | 0 | 0 | 111 | A254 | H252-A254 PolarHBondContact O-N 3.26Š| ||
| 253 | K | 44.3 | Very low | 51.5 | Low | 154 Ų | 154 | 118.7 Ų | 118.7 | 67% | 0.67 | 57% | 0.574 | S | S | * | * | trans | -73.1 | 119.2 | 179.8 | -72.1 | -179.2 | 178.4 | -175.1 | 0 | 108.5 | L251 N255 | L251-K253 PolarHBondContact O-N 3.45Å; K253-N255 PolarHBondContact O-N 2.9Å | ||
| 254 | A | 51.7 | Low | 54.1 | Low | 32 Ų | 32 | 113.4 Ų | 113.4 | 26% | 0.264 | 54% | 0.537 | S | S | . | . | trans | -50.9 | 103.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | H252 G256 Y277 | H252-A254 PolarHBondContact O-N 3.26Å; A254-G256 PolarHBondContact O-N 3.41Å; A254-G256 VanDerWaalsContact O-N 3.15Å; A254-Y277 HydrophobicContact CB-CD1 4.2Å; A254-Y277 HydrophobicContact CB-CE1 3.36Å; A254-Y277 HydrophobicContact CB-CE2 4.37Å; A254-Y277 VanDerWaalsContact CB-CZ 3.48Å; A254-Y277 WeakPolarHBondContact CB-OH 3.41Å | ||
| 255 | N | 59.5 | Low | 57 | Low | 99 Ų | 99 | 103.2 Ų | 103.2 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | trans | -74 | -2.8 | -170.1 | 64.8 | 17.5 | 0 | 0 | 0 | 112.7 | K253 R257 N305 | K253-N255 PolarHBondContact O-N 2.9Å; N255-R257 PolarHBondContact O-N 2.78Å; N255-R257 PolarHBondContact OD1-N 3.28Å; N255-N305 PolarHBondContact O-ND2 3.2Å | ||
| 256 | G | 62.3 | Low | 59.5 | Low | 0 Ų | 0 | 95.5 Ų | 95.5 | 0% | 0 | 46% | 0.463 | C | S | . | . | trans | 63.8 | 4.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A254 I258 Y267 H306 | A254-G256 PolarHBondContact O-N 3.41Å; A254-G256 VanDerWaalsContact O-N 3.15Å; G256-I258 PolarHBondContact O-N 3.46Å; G256-Y267 VanDerWaalsContact O-CE2 3.25Å; G256-Y267 WeakPolarHBondContact O-CE2 3.41Å; G256-Y267 PolarHBondContact O-OH 3.24Å; G256-H306 WeakPolarHBondContact O-CB 3.1Å | ||
| 257 | R | 66.1 | Low | 62.1 | Low | 145 Ų | 145 | 86 Ų | 86 | 55% | 0.547 | 43% | 0.427 | S | S | . | . | trans | -88.3 | 102.5 | 178.1 | -82.1 | -166.7 | 174.5 | -175.9 | 0.5 | 109.7 | N255 P259 | N255-R257 PolarHBondContact O-N 2.78Å; N255-R257 PolarHBondContact OD1-N 3.28Å; R257-P259 WeakPolarHBondContact O-CD 3.25Å | ||
| 258 | I | 72.5 | Confident | 64.9 | Low | 7 Ų | 7 | 79.8 Ų | 79.8 | 4% | 0.036 | 39% | 0.387 | C | S | . | . | trans | -106.2 | 101.4 | -178.2 | -58.4 | -177.7 | 0 | 0 | 0 | 109.1 | L63 G256 C261 Y267 Q270 L271 H306 | L63-I258 HydrophobicContact CD2-CG2 4.35Å; G256-I258 PolarHBondContact O-N 3.46Å; I258-C261 HydrophobicContact CB-CB 4.44Å; I258-C261 HydrophobicContact CG2-CB 4.21Å; I258-C261 WeakPolarHBondContact CG2-SG 3.37Å; I258-C261 PolarHBondContact O-N 3.48Å; I258-Y267 HydrophobicContact CB-CD2 4.04Å; I258-Y267 HydrophobicContact CB-CE2 3.99Å; I258-Y267 HydrophobicContact CD1-CD2 3.73Å; I258-Y267 HydrophobicContact CD1-CE2 3.52Å; I258-Y267 HydrophobicContact CG1-CD2 4.09Å; I258-Y267 HydrophobicContact CG1-CE2 3.68Å; I258-Q270 HydrophobicContact CD1-CB 3.81Å; I258-Q270 HydrophobicContact CG2-CB 4.1Å; I258-Q270 VanDerWaalsContact CG2-CD 3.47Å; I258-Q270 HydrophobicContact CG2-CG 4.26Å; I258-L271 HydrophobicContact CD1-CD2 3.75Å; I258-L271 HydrophobicContact CD1-CG 4.15Å; I258-H306 PolarHBondContact N-ND1 3.47Å; I258-H306 VanDerWaalsContact N-ND1 3.17Å; I258-H306 PolarHBondContact O-CE1 3.35Å | ||
| 259 | P | 55.2 | Low | 67.6 | Low | 21 Ų | 21 | 72.1 Ų | 72.1 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 148 | -179.9 | 29.4 | -40.7 | 0 | 0 | 0 | 112.3 | L63 R257 C261 | L63-P259 HydrophobicContact CD2-CG 4Å; R257-P259 WeakPolarHBondContact O-CD 3.25Å; P259-C261 PolarHBondContact O-N 2.6Å; P259-C261 VanDerWaalsContact O-N 3.11Å |
| 260 | E | 62.3 | Low | 70.2 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | -9.6 | 178.6 | -52.1 | -52.7 | 127.1 | 0 | 0 | 116.9 | R262 | E260-R262 PolarHBondContact O-N 3.02Å; E260-R262 VanDerWaalsContact O-N 3.07Å |
| 261 | C | 70.1 | Confident | 72.7 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | trans | -75.8 | 95.4 | 170.3 | -72.7 | 0 | 0 | 0 | 0 | 111.7 | I258 P259 D266 Y267 Q270 H306 | I258-C261 HydrophobicContact CB-CB 4.44Å; I258-C261 HydrophobicContact CG2-CB 4.21Å; I258-C261 WeakPolarHBondContact CG2-SG 3.37Å; I258-C261 PolarHBondContact O-N 3.48Å; P259-C261 PolarHBondContact O-N 2.6Å; P259-C261 VanDerWaalsContact O-N 3.11Å; C261-D266 WeakPolarHBondContact CA-OD2 3.23Å; C261-D266 PolarHBondContact SG-OD2 3.36Å; C261-Y267 HydrophobicContact CB-CD2 4.35Å; C261-Q270 VanDerWaalsContact SG-CG 3.58Å; C261-Q270 PolarHBondContact SG-NE2 2.85Å; C261-H306 PolarHBondContact O-NE2 3.27Å | ||
| 262 | R | 77.1 | Confident | 75.3 | Confident | 199 Ų | 199 | 55.4 Ų | 55.4 | 75% | 0.751 | 25% | 0.254 | S | S | * | . | trans | -78.7 | -34.5 | 178.9 | -63 | -174 | -178.6 | -166.2 | 0.1 | 113.1 | E260 K307 | E260-R262 PolarHBondContact O-N 3.02Å; E260-R262 VanDerWaalsContact O-N 3.07Å; R262-K307 PolarHBondContact O-NZ 3.27Å | ||
| 263 | L | 91.2 | Very high | 77.5 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -113.2 | 155 | -171.5 | -62.9 | 174.3 | 0 | 0 | 0 | 112 | W265 D266 Y267 | L263-W265 PolarHBondContact O-N 3.48Å; L263-D266 PolarHBondContact O-N 3.17Å; L263-Y267 PolarHBondContact O-N 3.29Å; L263-Y267 VanDerWaalsContact O-N 3.14Å |
| 264 | L | 93.4 | Very high | 79.3 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.3 | -39.3 | -176.6 | 175.7 | 67.8 | 0 | 0 | 0 | 112.2 | D266 Y267 V268 W303 M317 A320 L321 Y324 | L264-D266 VanDerWaalsContact C-N 3.27Å; L264-D266 PolarHBondContact O-N 2.94Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.78Å; L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.22Å; L264-V268 WeakPolarHBondContact O-CB 3.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.24Å; L264-V268 PolarHBondContact O-N 2.75Å; L264-W303 HydrophobicContact CB-CH2 4.18Å; L264-W303 HydrophobicContact CB-CZ2 4Å; L264-W303 HydrophobicContact CD1-CB 4.48Å; L264-W303 HydrophobicContact CD1-CD2 3.7Å; L264-W303 HydrophobicContact CD1-CE3 4.04Å; L264-W303 HydrophobicContact CD1-CG 3.89Å; L264-W303 HydrophobicContact CD1-CZ2 4.41Å; L264-M317 HydrophobicContact CD1-CG 3.78Å; L264-M317 HydrophobicContact CD1-SD 3.89Å; L264-M317 HydrophobicContact CD2-CG 3.59Å; L264-M317 WeakPolarHBondContact CD2-O 3.32Å; L264-M317 HydrophobicContact CG-CG 4.36Å; L264-A320 HydrophobicContact CB-CB 4.45Å; L264-A320 HydrophobicContact CD2-CB 3.69Å; L264-L321 HydrophobicContact CD2-CD2 3.8Å; L264-L321 HydrophobicContact CD2-CG 3.92Å; L264-L321 HydrophobicContact CG-CD2 4.39Å; L264-Y324 HydrophobicContact CB-CE2 3.99Å; L264-Y324 HydrophobicContact CD2-CE2 4.38Å; L264-Y324 HydrophobicContact CG-CE2 4.39Å; L264-Y324 PolarHBondContact N-OH 2.7Å |
| 265 | W | 92.7 | Very high | 80.9 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | -179.6 | 68.4 | -99.7 | 0 | 0 | 0 | 111.8 | L263 Y269 Y324 I329 I330 F342 P346 I349 R350 | L263-W265 PolarHBondContact O-N 3.48Å; W265-Y269 PolarHBondContact O-N 3.06Å; W265-Y324 HydrophobicContact CB-CD2 4.01Å; W265-Y324 HydrophobicContact CB-CE2 3.65Å; W265-Y324 AromaticContact CD1-CE1 3.8Å; W265-Y324 AromaticContact CD1-CZ 3.64Å; W265-Y324 HydrophobicContact CG-CE2 4.39Å; W265-Y324 PolarHBondContact N-OH 3.39Å; W265-I329 HydrophobicContact CB-CG2 4.05Å; W265-I329 HydrophobicContact CG-CG2 4.13Å; W265-I330 HydrophobicContact CB-CD1 4.27Å; W265-F342 HydrophobicContact CB-CE1 4.3Å; W265-P346 HydrophobicContact CH2-CB 4.36Å; W265-P346 HydrophobicContact CZ3-CB 3.79Å; W265-P346 HydrophobicContact CZ3-CG 4.1Å; W265-I349 HydrophobicContact CD2-CD1 4.24Å; W265-I349 HydrophobicContact CD2-CG2 4Å; W265-I349 VanDerWaalsContact CE2-CG2 3.44Å; W265-I349 HydrophobicContact CE3-CD1 3.76Å; W265-I349 HydrophobicContact CE3-CG2 4.4Å; W265-I349 HydrophobicContact CH2-CB 3.92Å; W265-I349 HydrophobicContact CH2-CD1 4.38Å; W265-I349 HydrophobicContact CH2-CG2 3.87Å; W265-I349 HydrophobicContact CZ2-CB 3.95Å; W265-I349 HydrophobicContact CZ2-CG2 3.37Å; W265-I349 HydrophobicContact CZ3-CB 4.27Å; W265-I349 HydrophobicContact CZ3-CD1 3.86Å; W265-I349 HydrophobicContact CZ3-CG2 4.34Å; W265-R350 HydrophobicContact CH2-CG 4.08Å; W265-R350 HydrophobicContact CZ2-CG 4.44Å |
| 266 | D | 90.4 | Very high | 82.2 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.123 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -42.9 | 179.6 | -174.7 | 38.7 | 0 | 0 | 0 | 110.2 | C261 L263 L264 V268 Y269 Q270 | C261-D266 WeakPolarHBondContact CA-OD2 3.23Å; C261-D266 PolarHBondContact SG-OD2 3.36Å; L263-D266 PolarHBondContact O-N 3.17Å; L264-D266 VanDerWaalsContact C-N 3.27Å; L264-D266 PolarHBondContact O-N 2.94Å; D266-V268 PolarHBondContact O-N 3.44Å; D266-Y269 PolarHBondContact O-N 2.95Å; D266-Q270 WeakPolarHBondContact O-CG 3.48Å; D266-Q270 PolarHBondContact O-N 2.87Å |
| 267 | Y | 92.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -47.4 | 173.7 | -175.2 | -104.2 | 0 | 0 | 0 | 112.8 | G256 I258 C261 L263 L264 Y269 Q270 L271 L302 W303 H306 | G256-Y267 VanDerWaalsContact O-CE2 3.25Å; G256-Y267 WeakPolarHBondContact O-CE2 3.41Å; G256-Y267 PolarHBondContact O-OH 3.24Å; I258-Y267 HydrophobicContact CB-CD2 4.04Å; I258-Y267 HydrophobicContact CB-CE2 3.99Å; I258-Y267 HydrophobicContact CD1-CD2 3.73Å; I258-Y267 HydrophobicContact CD1-CE2 3.52Å; I258-Y267 HydrophobicContact CG1-CD2 4.09Å; I258-Y267 HydrophobicContact CG1-CE2 3.68Å; C261-Y267 HydrophobicContact CB-CD2 4.35Å; L263-Y267 PolarHBondContact O-N 3.29Å; L263-Y267 VanDerWaalsContact O-N 3.14Å; L264-Y267 WeakPolarHBondContact O-CB 3.26Å; L264-Y267 PolarHBondContact O-N 2.78Å; Y267-Y269 VanDerWaalsContact C-N 3.34Å; Y267-Y269 PolarHBondContact O-N 3.3Å; Y267-Q270 PolarHBondContact O-N 2.93Å; Y267-L271 HydrophobicContact CD1-CD1 3.91Å; Y267-L271 HydrophobicContact CD1-CG 4.36Å; Y267-L271 HydrophobicContact CE1-CD1 3.43Å; Y267-L271 VanDerWaalsContact CE1-CD1 3.43Å; Y267-L271 HydrophobicContact CE1-CG 4.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 3.34Å; Y267-L302 VanDerWaalsContact OH-C 3.23Å; Y267-L302 WeakPolarHBondContact OH-CB 3.42Å; Y267-L302 PolarHBondContact OH-O 3.47Å; Y267-L302 VanDerWaalsContact OH-O 3.14Å; Y267-W303 HydrophobicContact CD1-CB 4.38Å; Y267-W303 HydrophobicContact CD1-CD2 4.35Å; Y267-W303 AromaticContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CE3 3.47Å; Y267-W303 VanDerWaalsContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CZ3 4.11Å; Y267-W303 HydrophobicContact CD2-CE3 4.09Å; Y267-W303 HydrophobicContact CD2-CZ3 4.2Å; Y267-W303 HydrophobicContact CE1-CB 4.02Å; Y267-W303 AromaticContact CE1-CE3 3.96Å; Y267-W303 HydrophobicContact CE1-CE3 3.96Å; Y267-W303 AromaticContact CG-CE3 3.54Å; Y267-W303 HydrophobicContact CG-CE3 3.54Å; Y267-W303 AromaticContact CG-CZ3 3.72Å; Y267-W303 HydrophobicContact CG-CZ3 3.72Å; Y267-H306 HydrophobicContact CD2-CB 4.42Å; Y267-H306 AromaticContact CD2-CD2 3.79Å; Y267-H306 AromaticContact CD2-CG 3.91Å; Y267-H306 HydrophobicContact CE2-CB 3.76Å; Y267-H306 AromaticContact CE2-CD2 3.96Å; Y267-H306 AromaticContact CE2-CG 3.6Å |
| 268 | V | 94.2 | Very high | 84.8 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 175.9 | 160.4 | 0 | 0 | 0 | 0 | 110.9 | L264 D266 Q270 L271 L272 I281 F291 F342 | L264-V268 HydrophobicContact CD1-CG2 4.05Å; L264-V268 HydrophobicContact CG-CG2 4.22Å; L264-V268 WeakPolarHBondContact O-CB 3.49Å; L264-V268 WeakPolarHBondContact O-CG2 3.24Å; L264-V268 PolarHBondContact O-N 2.75Å; D266-V268 PolarHBondContact O-N 3.44Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.74Å; V268-L271 PolarHBondContact O-N 3.32Å; V268-L272 HydrophobicContact CG1-CD1 3.91Å; V268-L272 WeakPolarHBondContact O-CB 3.08Å; V268-L272 WeakPolarHBondContact O-CG 3.31Å; V268-L272 PolarHBondContact O-N 3.27Å; V268-I281 HydrophobicContact CB-CD1 4.42Å; V268-I281 HydrophobicContact CG1-CD1 3.62Å; V268-I281 HydrophobicContact CG2-CD1 4.38Å; V268-F291 HydrophobicContact CG1-CD2 4.42Å; V268-F291 HydrophobicContact CG1-CE2 3.87Å; V268-F291 HydrophobicContact CG1-CZ 3.94Å; V268-F342 HydrophobicContact CB-CZ 4.49Å; V268-F342 HydrophobicContact CG1-CE2 4Å; V268-F342 HydrophobicContact CG1-CZ 3.87Å |
| 269 | Y | 91.4 | Very high | 85.7 | Confident | 39 Ų | 39 | 49.9 Ų | 49.9 | 15% | 0.153 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -40 | 177.4 | -175.5 | -96.3 | 0 | 0 | 0 | 112 | W265 D266 Y267 L272 C273 W283 F342 P346 | W265-Y269 PolarHBondContact O-N 3.06Å; D266-Y269 PolarHBondContact O-N 2.95Å; Y267-Y269 VanDerWaalsContact C-N 3.34Å; Y267-Y269 PolarHBondContact O-N 3.3Å; Y269-L272 WeakPolarHBondContact O-CB 3.39Å; Y269-L272 PolarHBondContact O-N 2.88Å; Y269-C273 PolarHBondContact O-N 3.17Å; Y269-C273 PolarHBondContact O-SG 2.74Å; Y269-W283 HydrophobicContact CD2-CH2 4.22Å; Y269-W283 HydrophobicContact CD2-CZ2 4.1Å; Y269-W283 HydrophobicContact CE2-CH2 4.24Å; Y269-W283 AromaticContact CE2-CZ2 3.99Å; Y269-W283 HydrophobicContact CE2-CZ2 3.99Å; Y269-F342 HydrophobicContact CD2-CE2 4.47Å; Y269-P346 HydrophobicContact CD1-CG 3.76Å; Y269-P346 HydrophobicContact CD2-CG 3.82Å; Y269-P346 HydrophobicContact CE1-CG 3.84Å; Y269-P346 HydrophobicContact CE2-CG 3.92Å; Y269-P346 HydrophobicContact CG-CG 3.75Å |
| 270 | Q | 89.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.4 | -67.9 | -144.7 | 22.8 | 0 | 0 | 113 | I258 C261 D266 Y267 V268 L272 C273 | I258-Q270 HydrophobicContact CD1-CB 3.81Å; I258-Q270 HydrophobicContact CG2-CB 4.1Å; I258-Q270 VanDerWaalsContact CG2-CD 3.47Å; I258-Q270 HydrophobicContact CG2-CG 4.26Å; C261-Q270 VanDerWaalsContact SG-CG 3.58Å; C261-Q270 PolarHBondContact SG-NE2 2.85Å; D266-Q270 WeakPolarHBondContact O-CG 3.48Å; D266-Q270 PolarHBondContact O-N 2.87Å; Y267-Q270 PolarHBondContact O-N 2.93Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 2.74Å; Q270-L272 VanDerWaalsContact C-N 3.3Å; Q270-L272 PolarHBondContact O-N 3.35Å; Q270-C273 PolarHBondContact O-N 2.96Å |
| 271 | L | 91.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 172.9 | -67.2 | -179.7 | 0 | 0 | 0 | 111.8 | I258 Y267 V268 C273 D274 Y277 I281 L299 | I258-L271 HydrophobicContact CD1-CD2 3.75Å; I258-L271 HydrophobicContact CD1-CG 4.15Å; Y267-L271 HydrophobicContact CD1-CD1 3.91Å; Y267-L271 HydrophobicContact CD1-CG 4.36Å; Y267-L271 HydrophobicContact CE1-CD1 3.43Å; Y267-L271 VanDerWaalsContact CE1-CD1 3.43Å; Y267-L271 HydrophobicContact CE1-CG 4.05Å; Y267-L271 WeakPolarHBondContact O-CG 3.42Å; Y267-L271 PolarHBondContact O-N 3.34Å; V268-L271 PolarHBondContact O-N 3.32Å; L271-C273 PolarHBondContact O-N 3.28Å; L271-D274 PolarHBondContact O-N 3.49Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-D274 VanDerWaalsContact O-O 3.09Å; L271-Y277 HydrophobicContact CD2-CD1 3.71Å; L271-Y277 HydrophobicContact CD2-CD2 3.6Å; L271-Y277 HydrophobicContact CD2-CE1 3.77Å; L271-Y277 HydrophobicContact CD2-CE2 3.67Å; L271-Y277 HydrophobicContact CD2-CG 3.59Å; L271-I281 HydrophobicContact CB-CG2 3.65Å; L271-I281 HydrophobicContact CD1-CG2 4.23Å; L271-L299 HydrophobicContact CD1-CD1 3.39Å |
| 272 | L | 91.3 | Very high | 90.4 | Very high | 8 Ų | 8 | 50.6 Ų | 50.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.9 | -18.1 | 177.1 | -78.2 | 169.1 | 0 | 0 | 0 | 114.2 | V268 Y269 Q270 I281 W283 F291 F342 | V268-L272 HydrophobicContact CG1-CD1 3.91Å; V268-L272 WeakPolarHBondContact O-CB 3.08Å; V268-L272 WeakPolarHBondContact O-CG 3.31Å; V268-L272 PolarHBondContact O-N 3.27Å; Y269-L272 WeakPolarHBondContact O-CB 3.39Å; Y269-L272 PolarHBondContact O-N 2.88Å; Q270-L272 VanDerWaalsContact C-N 3.3Å; Q270-L272 PolarHBondContact O-N 3.35Å; L272-I281 HydrophobicContact CD1-CD1 4.31Å; L272-I281 HydrophobicContact CD2-CD1 4.33Å; L272-I281 HydrophobicContact CD2-CG1 3.88Å; L272-I281 HydrophobicContact CD2-CG2 4.46Å; L272-I281 HydrophobicContact CG-CD1 4.1Å; L272-I281 HydrophobicContact CG-CG1 4.18Å; L272-I281 HydrophobicContact CG-CG2 4.47Å; L272-W283 HydrophobicContact CB-CZ2 3.74Å; L272-W283 HydrophobicContact CD1-CD2 4.5Å; L272-W283 HydrophobicContact CD1-CH2 3.86Å; L272-W283 HydrophobicContact CD1-CZ2 3.8Å; L272-W283 HydrophobicContact CD1-CZ3 4.23Å; L272-W283 HydrophobicContact CD2-CD2 4.19Å; L272-W283 HydrophobicContact CD2-CG 4.29Å; L272-W283 HydrophobicContact CG-CZ2 4.28Å; L272-W283 PolarHBondContact O-NE1 3.01Å; L272-F291 HydrophobicContact CD1-CB 3.66Å; L272-F291 HydrophobicContact CD1-CD1 4.09Å; L272-F291 HydrophobicContact CD1-CD2 4.09Å; L272-F291 HydrophobicContact CD1-CG 3.7Å; L272-F291 HydrophobicContact CD2-CB 3.8Å; L272-F291 HydrophobicContact CG-CB 4.39Å; L272-F342 HydrophobicContact CD1-CE2 3.96Å |
| 273 | C | 88.3 | Confident | 91.2 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 22% | 0.216 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -2.9 | 174.9 | -65.2 | 0 | 0 | 0 | 0 | 113.6 | R127 Y269 Q270 L271 | R127-C273 PolarHBondContact NH2-SG 3.14Å; Y269-C273 PolarHBondContact O-N 3.17Å; Y269-C273 PolarHBondContact O-SG 2.74Å; Q270-C273 PolarHBondContact O-N 2.96Å; L271-C273 PolarHBondContact O-N 3.28Å |
| 274 | D | 82.9 | Confident | 91.4 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.08 | 21% | 0.206 | C | C | . | . | trans | -125.4 | 111.4 | -176.3 | -178.7 | -8 | 0 | 0 | 0 | 110 | I59 L271 R276 Y277 | I59-D274 HydrophobicContact CG2-CB 4.04Å; L271-D274 PolarHBondContact O-N 3.49Å; L271-D274 VanDerWaalsContact O-N 3.15Å; L271-D274 VanDerWaalsContact O-O 3.09Å; D274-R276 PolarHBondContact O-N 3.48Å; D274-R276 VanDerWaalsContact OD1-CB 3.28Å; D274-R276 WeakPolarHBondContact OD1-CB 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.41Å; D274-R276 IonicContact OD1-CZ 2.84Å; D274-R276 PolarHBondContact OD1-N 2.89Å; D274-R276 VanDerWaalsContact OD1-N 3.09Å; D274-R276 IonicContact OD1-NE 3.37Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD2-CZ 3.73Å; D274-R276 IonicContact OD2-NE 3.5Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 3.74Å; D274-R276 PolarHBondContact OD2-NH2 3.15Å; D274-Y277 HydrophobicContact CB-CD2 3.86Å; D274-Y277 HydrophobicContact CB-CE2 4.19Å; D274-Y277 PolarHBondContact O-N 2.78Å; D274-Y277 WeakPolarHBondContact OD2-CE2 3.49Å | ||
| 275 | D | 85.6 | Confident | 91.3 | Very high | 109 Ų | 109 | 47.7 Ų | 47.7 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -61.3 | -19.8 | -174.1 | -67.8 | -29.4 | 0 | 0 | 0 | 113.3 | Y277 Q278 | D275-Y277 PolarHBondContact O-N 3.41Å; D275-Y277 VanDerWaalsContact O-N 3.09Å; D275-Q278 HydrophobicContact CB-CG 4.37Å; D275-Q278 VanDerWaalsContact CG-NE2 3.29Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 VanDerWaalsContact O-CG 3.31Å; D275-Q278 WeakPolarHBondContact O-CG 3.17Å; D275-Q278 PolarHBondContact O-N 2.82Å; D275-Q278 VanDerWaalsContact O-N 3.11Å; D275-Q278 PolarHBondContact OD1-NE2 2.99Å |
| 276 | R | 85.8 | Confident | 91 | Very high | 126 Ų | 126 | 51 Ų | 51 | 48% | 0.475 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -61.5 | -18.5 | 175.5 | -61.4 | -179.3 | -62.8 | 179.5 | -0.3 | 113.2 | D274 | D274-R276 PolarHBondContact O-N 3.48Å; D274-R276 VanDerWaalsContact OD1-CB 3.28Å; D274-R276 WeakPolarHBondContact OD1-CB 3.16Å; D274-R276 WeakPolarHBondContact OD1-CG 3.41Å; D274-R276 IonicContact OD1-CZ 2.84Å; D274-R276 PolarHBondContact OD1-N 2.89Å; D274-R276 VanDerWaalsContact OD1-N 3.09Å; D274-R276 IonicContact OD1-NE 3.37Å; D274-R276 PolarHBondContact OD1-NE 3.15Å; D274-R276 IonicContact OD2-CZ 3.73Å; D274-R276 IonicContact OD2-NE 3.5Å; D274-R276 PolarHBondContact OD2-NE 3.08Å; D274-R276 IonicContact OD2-NH2 3.74Å; D274-R276 PolarHBondContact OD2-NH2 3.15Å |
| 277 | Y | 90.6 | Very high | 90.7 | Very high | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.039 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -104.5 | 8.4 | 179.8 | -59 | -79.9 | 0 | 0 | 0 | 113.8 | A254 L271 D274 D275 D279 Y280 I281 L302 | A254-Y277 HydrophobicContact CB-CD1 4.2Å; A254-Y277 HydrophobicContact CB-CE1 3.36Å; A254-Y277 HydrophobicContact CB-CE2 4.37Å; A254-Y277 VanDerWaalsContact CB-CZ 3.48Å; A254-Y277 WeakPolarHBondContact CB-OH 3.41Å; L271-Y277 HydrophobicContact CD2-CD1 3.71Å; L271-Y277 HydrophobicContact CD2-CD2 3.6Å; L271-Y277 HydrophobicContact CD2-CE1 3.77Å; L271-Y277 HydrophobicContact CD2-CE2 3.67Å; L271-Y277 HydrophobicContact CD2-CG 3.59Å; D274-Y277 HydrophobicContact CB-CD2 3.86Å; D274-Y277 HydrophobicContact CB-CE2 4.19Å; D274-Y277 PolarHBondContact O-N 2.78Å; D274-Y277 WeakPolarHBondContact OD2-CE2 3.49Å; D275-Y277 PolarHBondContact O-N 3.41Å; D275-Y277 VanDerWaalsContact O-N 3.09Å; Y277-D279 PolarHBondContact O-N 2.81Å; Y277-D279 VanDerWaalsContact O-N 3.13Å; Y277-Y280 HydrophobicContact CD1-CD2 4.17Å; Y277-Y280 WeakPolarHBondContact O-CA 3.47Å; Y277-Y280 WeakPolarHBondContact O-CB 3.25Å; Y277-Y280 PolarHBondContact O-N 3.02Å; Y277-I281 PolarHBondContact O-N 3.16Å; Y277-I281 VanDerWaalsContact O-O 3.11Å; Y277-L302 HydrophobicContact CD1-CD1 3.82Å; Y277-L302 HydrophobicContact CE1-CD1 4.11Å; Y277-L302 HydrophobicContact CE1-CD2 4.23Å |
| 278 | Q | 91.4 | Very high | 90.6 | Very high | 93 Ų | 93 | 59.6 Ų | 59.6 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -31.8 | -179 | -79 | -177.3 | 7.4 | 0 | 0 | 114 | D275 Y280 I281 R282 | D275-Q278 HydrophobicContact CB-CG 4.37Å; D275-Q278 VanDerWaalsContact CG-NE2 3.29Å; D275-Q278 WeakPolarHBondContact O-CB 3.21Å; D275-Q278 VanDerWaalsContact O-CG 3.31Å; D275-Q278 WeakPolarHBondContact O-CG 3.17Å; D275-Q278 PolarHBondContact O-N 2.82Å; D275-Q278 VanDerWaalsContact O-N 3.11Å; D275-Q278 PolarHBondContact OD1-NE2 2.99Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Q278-I281 WeakPolarHBondContact CA-O 3.5Å; Q278-R282 HydrophobicContact CB-CB 4.43Å; Q278-R282 HydrophobicContact CG-CB 4.29Å |
| 279 | D | 92.8 | Very high | 90.5 | Very high | 128 Ų | 128 | 62.4 Ų | 62.4 | 68% | 0.684 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -19.7 | 176.4 | -65.5 | -28.9 | 0 | 0 | 0 | 113.1 | Y277 V294 | Y277-D279 PolarHBondContact O-N 2.81Å; Y277-D279 VanDerWaalsContact O-N 3.13Å; D279-V294 WeakPolarHBondContact O-CB 3.45Å; D279-V294 WeakPolarHBondContact O-CG1 3.43Å |
| 280 | Y | 94.4 | Very high | 90.6 | Very high | 77 Ų | 77 | 61 Ų | 61 | 30% | 0.302 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -44.4 | 177.5 | -56.8 | -81.7 | 0 | 0 | 0 | 111.4 | Y277 Q278 V294 D295 L302 | Y277-Y280 HydrophobicContact CD1-CD2 4.17Å; Y277-Y280 WeakPolarHBondContact O-CA 3.47Å; Y277-Y280 WeakPolarHBondContact O-CB 3.25Å; Y277-Y280 PolarHBondContact O-N 3.02Å; Q278-Y280 PolarHBondContact O-N 3.16Å; Y280-V294 PolarHBondContact O-N 3.14Å; Y280-D295 HydrophobicContact CD1-CB 4.23Å; Y280-D295 PolarHBondContact O-N 3.33Å; Y280-L302 HydrophobicContact CD1-CD1 3.96Å; Y280-L302 HydrophobicContact CD2-CD1 3.85Å; Y280-L302 HydrophobicContact CE1-CD1 4.29Å; Y280-L302 HydrophobicContact CE2-CD1 4.2Å; Y280-L302 HydrophobicContact CG-CD1 3.71Å |
| 281 | I | 95.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 136.6 | -175.3 | -164.3 | 177 | 0 | 0 | 0 | 110.3 | V268 L271 L272 Y277 Q278 F291 R292 V293 L299 | V268-I281 HydrophobicContact CB-CD1 4.42Å; V268-I281 HydrophobicContact CG1-CD1 3.62Å; V268-I281 HydrophobicContact CG2-CD1 4.38Å; L271-I281 HydrophobicContact CB-CG2 3.65Å; L271-I281 HydrophobicContact CD1-CG2 4.23Å; L272-I281 HydrophobicContact CD1-CD1 4.31Å; L272-I281 HydrophobicContact CD2-CD1 4.33Å; L272-I281 HydrophobicContact CD2-CG1 3.88Å; L272-I281 HydrophobicContact CD2-CG2 4.46Å; L272-I281 HydrophobicContact CG-CD1 4.1Å; L272-I281 HydrophobicContact CG-CG1 4.18Å; L272-I281 HydrophobicContact CG-CG2 4.47Å; Y277-I281 PolarHBondContact O-N 3.16Å; Y277-I281 VanDerWaalsContact O-O 3.11Å; Q278-I281 WeakPolarHBondContact CA-O 3.5Å; I281-F291 HydrophobicContact CD1-CD2 3.81Å; I281-F291 HydrophobicContact CD1-CE2 4.01Å; I281-F291 HydrophobicContact CG1-CD2 4.1Å; I281-R292 WeakPolarHBondContact CA-O 3.49Å; I281-R292 WeakPolarHBondContact CG1-O 3.15Å; I281-V293 HydrophobicContact CD1-CG2 4.31Å; I281-V293 HydrophobicContact CG1-CG2 4.37Å; I281-L299 HydrophobicContact CB-CD1 4.42Å; I281-L299 HydrophobicContact CB-CD2 4.46Å; I281-L299 HydrophobicContact CD1-CD2 4.03Å; I281-L299 HydrophobicContact CG2-CD1 4.31Å |
| 282 | R | 94.9 | Very high | 91.2 | Very high | 112 Ų | 112 | 62.7 Ų | 62.7 | 42% | 0.423 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 160.3 | -177.6 | 69 | -176.1 | -169.9 | -177.6 | 3.4 | 112.4 | Q278 E284 F291 R292 V294 | Q278-R282 HydrophobicContact CB-CB 4.43Å; Q278-R282 HydrophobicContact CG-CB 4.29Å; R282-E284 IonicContact NH2-OE2 3.54Å; R282-F291 CarbonylContact O-C 3.56Å; R282-F291 VanDerWaalsContact O-CA 3.3Å; R282-F291 WeakPolarHBondContact O-CA 3.5Å; R282-F291 WeakPolarHBondContact O-CB 3.43Å; R282-R292 PolarHBondContact N-O 3.2Å; R282-R292 PolarHBondContact O-N 3.01Å; R282-V294 HydrophobicContact CG-CG2 3.9Å |
| 283 | W | 95.1 | Very high | 91.5 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 131.1 | 165.9 | -63.5 | 107.2 | 0 | 0 | 0 | 109.5 | Y269 L272 P286 H289 F291 F342 | Y269-W283 HydrophobicContact CD2-CH2 4.22Å; Y269-W283 HydrophobicContact CD2-CZ2 4.1Å; Y269-W283 HydrophobicContact CE2-CH2 4.24Å; Y269-W283 AromaticContact CE2-CZ2 3.99Å; Y269-W283 HydrophobicContact CE2-CZ2 3.99Å; L272-W283 HydrophobicContact CB-CZ2 3.74Å; L272-W283 HydrophobicContact CD1-CD2 4.5Å; L272-W283 HydrophobicContact CD1-CH2 3.86Å; L272-W283 HydrophobicContact CD1-CZ2 3.8Å; L272-W283 HydrophobicContact CD1-CZ3 4.23Å; L272-W283 HydrophobicContact CD2-CD2 4.19Å; L272-W283 HydrophobicContact CD2-CG 4.29Å; L272-W283 HydrophobicContact CG-CZ2 4.28Å; L272-W283 PolarHBondContact O-NE1 3.01Å; W283-P286 HydrophobicContact CB-CG 3.9Å; W283-P286 HydrophobicContact CG-CG 4.36Å; W283-H289 HydrophobicContact CZ3-CB 4.14Å; W283-F291 HydrophobicContact CE3-CB 3.93Å; W283-F291 HydrophobicContact CZ3-CB 4.1Å; W283-F291 HydrophobicContact CZ3-CD1 4.4Å; W283-F342 AromaticContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CE2 4.36Å; W283-F342 HydrophobicContact CZ3-CD2 4.26Å |
| 284 | E | 94.7 | Very high | 91.9 | Very high | 84 Ų | 84 | 63.9 Ų | 63.9 | 39% | 0.393 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -40.3 | 166.1 | -164.5 | 85.1 | 166.8 | 0 | 0 | 109.2 | R282 V290 R292 L339 | R282-E284 IonicContact NH2-OE2 3.54Å; E284-V290 HydrophobicContact CB-CG1 4.14Å; E284-V290 PolarHBondContact N-O 3.47Å; E284-R292 IonicContact OE1-CZ 3.26Å; E284-R292 IonicContact OE1-NE 2.67Å; E284-R292 PolarHBondContact OE1-NE 3.26Å; E284-R292 IonicContact OE1-NH2 3.97Å; E284-R292 PolarHBondContact OE1-NH2 3.46Å; E284-R292 IonicContact OE2-CZ 3.37Å; E284-R292 IonicContact OE2-NE 2.85Å; E284-R292 PolarHBondContact OE2-NE 3.38Å; E284-R292 IonicContact OE2-NH2 3.38Å; E284-L339 HydrophobicContact CB-CD1 3.96Å; E284-L339 HydrophobicContact CG-CD1 4.14Å |
| 285 | D | 90.7 | Very high | 92.5 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 103.7 | 174.7 | 177.9 | -12.1 | 0 | 0 | 0 | 108.3 | D287 T288 H289 V290 | D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact OD1-N 3.14Å; D285-T288 PolarHBondContact OD1-N 3.15Å; D285-T288 WeakPolarHBondContact OD2-CB 3.48Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.37Å; D285-T288 PolarHBondContact OD2-OG1 3.3Å; D285-H289 CarbonylContact O-C 3.59Å; D285-H289 PolarHBondContact O-N 2.83Å; D285-H289 VanDerWaalsContact O-N 3.15Å; D285-V290 HydrophobicContact CB-CB 4.14Å; D285-V290 PolarHBondContact N-O 2.93Å; D285-V290 PolarHBondContact O-N 3.06Å |
| 286 | P | 87.1 | Confident | 93.1 | Very high | 75 Ų | 75 | 62.1 Ų | 62.1 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -37.4 | 179 | -21.4 | 32.5 | 0 | 0 | 0 | 113.4 | W283 T288 H289 | W283-P286 HydrophobicContact CB-CG 3.9Å; W283-P286 HydrophobicContact CG-CG 4.36Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 2.99Å; P286-H289 PolarHBondContact O-CD2 2.79Å; P286-H289 PolarHBondContact O-N 3.19Å |
| 287 | D | 85 | Confident | 93.5 | Very high | 148 Ų | 148 | 61.3 Ų | 61.3 | 79% | 0.791 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -37.1 | -173.5 | -62.3 | -38.9 | 0 | 0 | 0 | 110.8 | D285 H289 | D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact OD1-N 3.14Å; D287-H289 VanDerWaalsContact C-N 3.33Å |
| 288 | T | 89.1 | Confident | 93.6 | Very high | 55 Ų | 55 | 61 Ų | 61 | 34% | 0.337 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 8.9 | 177 | 79.4 | 0 | 0 | 0 | 0 | 113.3 | D285 P286 V290 R341 | D285-T288 PolarHBondContact OD1-N 3.15Å; D285-T288 WeakPolarHBondContact OD2-CB 3.48Å; D285-T288 WeakPolarHBondContact OD2-CG2 3.37Å; D285-T288 PolarHBondContact OD2-OG1 3.3Å; P286-T288 VanDerWaalsContact C-N 3.34Å; P286-T288 PolarHBondContact O-N 2.99Å; T288-V290 PolarHBondContact O-N 3.43Å; T288-V290 VanDerWaalsContact OG1-CG2 3.3Å; T288-V290 WeakPolarHBondContact OG1-CG2 3.03Å; T288-R341 WeakPolarHBondContact O-CG 3.45Å; T288-R341 PolarHBondContact O-NH1 3.18Å; T288-R341 PolarHBondContact OG1-NH1 3.4Å; T288-R341 VanDerWaalsContact OG1-NH1 3.1Å |
| 289 | H | 91.8 | Very high | 93.8 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 35.4 | -178.6 | -54.6 | 133.3 | 0 | 0 | 0 | 114.4 | W283 D285 P286 D287 R341 F342 L345 | W283-H289 HydrophobicContact CZ3-CB 4.14Å; D285-H289 CarbonylContact O-C 3.59Å; D285-H289 PolarHBondContact O-N 2.83Å; D285-H289 VanDerWaalsContact O-N 3.15Å; P286-H289 PolarHBondContact O-CD2 2.79Å; P286-H289 PolarHBondContact O-N 3.19Å; D287-H289 VanDerWaalsContact C-N 3.33Å; H289-R341 WeakPolarHBondContact O-CA 3.38Å; H289-F342 HydrophobicContact CB-CB 4.03Å; H289-F342 PolarHBondContact O-N 3.16Å; H289-L345 VanDerWaalsContact CE1-CD1 3.49Å; H289-L345 WeakPolarHBondContact CE1-CD1 3.47Å |
| 290 | V | 94.5 | Very high | 94 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.4 | 175.9 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | E284 D285 T288 E333 L339 F340 R341 | E284-V290 HydrophobicContact CB-CG1 4.14Å; E284-V290 PolarHBondContact N-O 3.47Å; D285-V290 HydrophobicContact CB-CB 4.14Å; D285-V290 PolarHBondContact N-O 2.93Å; D285-V290 PolarHBondContact O-N 3.06Å; T288-V290 PolarHBondContact O-N 3.43Å; T288-V290 VanDerWaalsContact OG1-CG2 3.3Å; T288-V290 WeakPolarHBondContact OG1-CG2 3.03Å; V290-E333 HydrophobicContact CG1-CG 4.4Å; V290-L339 HydrophobicContact CG1-CD1 3.66Å; V290-L339 HydrophobicContact CG1-CD2 3.96Å; V290-L339 HydrophobicContact CG1-CG 3.64Å; V290-F340 CarbonylContact C-O 3.54Å; V290-F340 WeakPolarHBondContact CA-O 3.08Å; V290-R341 HydrophobicContact CG2-CB 4.2Å; V290-R341 HydrophobicContact CG2-CG 4.1Å |
| 291 | F | 96.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 151 | 177.2 | 69.8 | -89.3 | 0 | 0 | 0 | 111.8 | V268 L272 I281 R282 W283 V293 I330 F340 F342 | V268-F291 HydrophobicContact CG1-CD2 4.42Å; V268-F291 HydrophobicContact CG1-CE2 3.87Å; V268-F291 HydrophobicContact CG1-CZ 3.94Å; L272-F291 HydrophobicContact CD1-CB 3.66Å; L272-F291 HydrophobicContact CD1-CD1 4.09Å; L272-F291 HydrophobicContact CD1-CD2 4.09Å; L272-F291 HydrophobicContact CD1-CG 3.7Å; L272-F291 HydrophobicContact CD2-CB 3.8Å; L272-F291 HydrophobicContact CG-CB 4.39Å; I281-F291 HydrophobicContact CD1-CD2 3.81Å; I281-F291 HydrophobicContact CD1-CE2 4.01Å; I281-F291 HydrophobicContact CG1-CD2 4.1Å; R282-F291 CarbonylContact O-C 3.56Å; R282-F291 VanDerWaalsContact O-CA 3.3Å; R282-F291 WeakPolarHBondContact O-CA 3.5Å; R282-F291 WeakPolarHBondContact O-CB 3.43Å; W283-F291 HydrophobicContact CE3-CB 3.93Å; W283-F291 HydrophobicContact CZ3-CB 4.1Å; W283-F291 HydrophobicContact CZ3-CD1 4.4Å; F291-V293 HydrophobicContact CE2-CG2 4.44Å; F291-I330 HydrophobicContact CE1-CG2 4.25Å; F291-I330 HydrophobicContact CZ-CD1 4.21Å; F291-I330 HydrophobicContact CZ-CG2 4.2Å; F291-F340 HydrophobicContact CD1-CB 4.19Å; F291-F340 HydrophobicContact CD2-CB 4.31Å; F291-F340 HydrophobicContact CD2-CD2 4.43Å; F291-F340 HydrophobicContact CE1-CB 3.6Å; F291-F340 HydrophobicContact CE2-CB 3.74Å; F291-F340 AromaticContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CG 4.11Å; F291-F340 HydrophobicContact CZ-CB 3.37Å; F291-F340 HydrophobicContact CZ-CD2 4.2Å; F291-F340 HydrophobicContact CZ-CG 4.02Å; F291-F340 PolarHBondContact N-O 3.34Å; F291-F340 PolarHBondContact O-N 3.21Å; F291-F340 VanDerWaalsContact O-O 3.11Å; F291-F342 AromaticContact CD1-CD2 3.59Å; F291-F342 HydrophobicContact CD1-CD2 3.59Å; F291-F342 AromaticContact CD1-CE2 3.66Å; F291-F342 HydrophobicContact CD1-CE2 3.66Å; F291-F342 AromaticContact CE1-CD2 3.46Å; F291-F342 HydrophobicContact CE1-CD2 3.46Å; F291-F342 VanDerWaalsContact CE1-CD2 3.46Å; F291-F342 AromaticContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CG 4.3Å; F291-F342 HydrophobicContact CE1-CZ 4.14Å; F291-F342 HydrophobicContact CZ-CE2 4.06Å |
| 292 | R | 97.2 | Very high | 93.7 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 21% | 0.208 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.5 | 178.2 | -174.3 | -179.9 | -64.6 | -83.1 | 2.9 | 110 | I281 R282 E284 L339 | I281-R292 WeakPolarHBondContact CA-O 3.49Å; I281-R292 WeakPolarHBondContact CG1-O 3.15Å; R282-R292 PolarHBondContact N-O 3.2Å; R282-R292 PolarHBondContact O-N 3.01Å; E284-R292 IonicContact OE1-CZ 3.26Å; E284-R292 IonicContact OE1-NE 2.67Å; E284-R292 PolarHBondContact OE1-NE 3.26Å; E284-R292 IonicContact OE1-NH2 3.97Å; E284-R292 PolarHBondContact OE1-NH2 3.46Å; E284-R292 IonicContact OE2-CZ 3.37Å; E284-R292 IonicContact OE2-NE 2.85Å; E284-R292 PolarHBondContact OE2-NE 3.38Å; E284-R292 IonicContact OE2-NH2 3.38Å; R292-L339 HydrophobicContact CB-CD1 3.79Å; R292-L339 HydrophobicContact CG-CD1 4.3Å |
| 293 | V | 97.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 113.8 | 163.3 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | I281 F291 P296 L299 Y314 L338 F340 | I281-V293 HydrophobicContact CD1-CG2 4.31Å; I281-V293 HydrophobicContact CG1-CG2 4.37Å; F291-V293 HydrophobicContact CE2-CG2 4.44Å; V293-P296 HydrophobicContact CG1-CB 4.11Å; V293-L299 HydrophobicContact CB-CD2 4.3Å; V293-L299 HydrophobicContact CG1-CB 4.44Å; V293-L299 HydrophobicContact CG1-CD2 3.65Å; V293-L299 HydrophobicContact CG2-CD2 3.72Å; V293-Y314 HydrophobicContact CG1-CE2 4.13Å; V293-L338 HydrophobicContact CB-CB 4.14Å; V293-L338 PolarHBondContact N-O 3.19Å; V293-L338 WeakPolarHBondContact O-CB 3.46Å; V293-L338 WeakPolarHBondContact O-CD1 3.49Å; V293-F340 HydrophobicContact CG2-CD2 4.17Å; V293-F340 HydrophobicContact CG2-CE2 3.87Å |
| 294 | V | 96.9 | Very high | 93.4 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -87 | -54.5 | -176.1 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | D279 Y280 R282 P296 | D279-V294 WeakPolarHBondContact O-CB 3.45Å; D279-V294 WeakPolarHBondContact O-CG1 3.43Å; Y280-V294 PolarHBondContact O-N 3.14Å; R282-V294 HydrophobicContact CG-CG2 3.9Å; V294-P296 WeakPolarHBondContact O-CD 3.47Å |
| 295 | D | 95.5 | Very high | 93.1 | Very high | 57 Ų | 57 | 49.1 Ų | 49.1 | 31% | 0.305 | 25% | 0.252 | S | S | . | . | trans | -111.8 | 97.7 | 172.4 | 179.5 | 9.4 | 0 | 0 | 0 | 110.8 | Y280 N297 G298 L299 | Y280-D295 HydrophobicContact CD1-CB 4.23Å; Y280-D295 PolarHBondContact O-N 3.33Å; D295-N297 VanDerWaalsContact C-N 3.28Å; D295-N297 PolarHBondContact O-N 3.11Å; D295-N297 PolarHBondContact OD1-N 3.06Å; D295-G298 PolarHBondContact OD1-N 3.45Å; D295-G298 WeakPolarHBondContact OD2-CA 3.46Å; D295-G298 PolarHBondContact OD2-N 3.46Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 PolarHBondContact O-N 3.12Å | ||
| 296 | P | 96.7 | Very high | 92.9 | Very high | 29 Ų | 29 | 48.3 Ų | 48.3 | 19% | 0.188 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63 | -33.7 | 179.3 | 23.8 | -31.8 | 0 | 0 | 0 | 113 | V293 V294 A300 Y314 L338 | V293-P296 HydrophobicContact CG1-CB 4.11Å; V294-P296 WeakPolarHBondContact O-CD 3.47Å; P296-A300 WeakPolarHBondContact O-CB 3.49Å; P296-A300 PolarHBondContact O-N 3.37Å; P296-A300 VanDerWaalsContact O-N 3.08Å; P296-Y314 HydrophobicContact CB-CD1 3.9Å; P296-Y314 HydrophobicContact CB-CD2 3.44Å; P296-Y314 VanDerWaalsContact CB-CD2 3.44Å; P296-Y314 HydrophobicContact CB-CE1 4.33Å; P296-Y314 HydrophobicContact CB-CE2 3.94Å; P296-Y314 HydrophobicContact CB-CG 3.43Å; P296-Y314 VanDerWaalsContact CB-CG 3.43Å; P296-L338 HydrophobicContact CG-CD1 4.08Å |
| 297 | N | 95.1 | Very high | 92.8 | Very high | 109 Ų | 109 | 49.2 Ų | 49.2 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -75.3 | -45.8 | -177.6 | -67.1 | -45.3 | 0 | 0 | 0 | 110.7 | D295 A300 R301 | D295-N297 VanDerWaalsContact C-N 3.28Å; D295-N297 PolarHBondContact O-N 3.11Å; D295-N297 PolarHBondContact OD1-N 3.06Å; N297-A300 PolarHBondContact O-N 3.14Å; N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.3Å; N297-R301 PolarHBondContact O-N 3.31Å |
| 298 | G | 92.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D295 A300 R301 L302 | D295-G298 PolarHBondContact OD1-N 3.45Å; D295-G298 WeakPolarHBondContact OD2-CA 3.46Å; D295-G298 PolarHBondContact OD2-N 3.46Å; G298-A300 VanDerWaalsContact C-N 3.34Å; G298-A300 PolarHBondContact O-N 3.16Å; G298-R301 WeakPolarHBondContact O-CB 3.45Å; G298-R301 PolarHBondContact O-N 3.39Å; G298-R301 VanDerWaalsContact O-N 3.17Å; G298-L302 WeakPolarHBondContact O-CG 3.4Å; G298-L302 PolarHBondContact O-N 3.38Å |
| 299 | L | 95.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 176.1 | -178.4 | 62 | 0 | 0 | 0 | 112.2 | L271 I281 V293 D295 R301 L302 W303 M317 | L271-L299 HydrophobicContact CD1-CD1 3.39Å; I281-L299 HydrophobicContact CB-CD1 4.42Å; I281-L299 HydrophobicContact CB-CD2 4.46Å; I281-L299 HydrophobicContact CD1-CD2 4.03Å; I281-L299 HydrophobicContact CG2-CD1 4.31Å; V293-L299 HydrophobicContact CB-CD2 4.3Å; V293-L299 HydrophobicContact CG1-CB 4.44Å; V293-L299 HydrophobicContact CG1-CD2 3.65Å; V293-L299 HydrophobicContact CG2-CD2 3.72Å; D295-L299 VanDerWaalsContact O-CB 3.29Å; D295-L299 WeakPolarHBondContact O-CB 3.47Å; D295-L299 PolarHBondContact O-N 3.12Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; L299-L302 PolarHBondContact O-N 3.15Å; L299-W303 PolarHBondContact O-N 2.87Å; L299-M317 HydrophobicContact CD2-CE 3.77Å; L299-M317 HydrophobicContact CG-CE 3.91Å; L299-M317 HydrophobicContact CG-SD 4.23Å |
| 300 | A | 95.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.1 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P296 N297 G298 W303 G304 M312 T313 Y314 M317 | P296-A300 WeakPolarHBondContact O-CB 3.49Å; P296-A300 PolarHBondContact O-N 3.37Å; P296-A300 VanDerWaalsContact O-N 3.08Å; N297-A300 PolarHBondContact O-N 3.14Å; G298-A300 VanDerWaalsContact C-N 3.34Å; G298-A300 PolarHBondContact O-N 3.16Å; A300-W303 PolarHBondContact O-N 3.4Å; A300-G304 PolarHBondContact O-N 3.15Å; A300-M312 HydrophobicContact CB-CG 4.43Å; A300-M312 WeakPolarHBondContact O-CG 3.34Å; A300-T313 VanDerWaalsContact CB-C 3.41Å; A300-Y314 VanDerWaalsContact CB-N 3.27Å; A300-M317 HydrophobicContact CB-SD 4.46Å |
| 301 | R | 91.8 | Very high | 92 | Very high | 189 Ų | 189 | 62.3 Ų | 62.3 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 174.8 | -71.9 | 174 | 67.4 | -147.9 | -0.1 | 112 | N297 G298 L299 G304 N305 | N297-R301 VanDerWaalsContact O-CG 3.3Å; N297-R301 WeakPolarHBondContact O-CG 3.3Å; N297-R301 PolarHBondContact O-N 3.31Å; G298-R301 WeakPolarHBondContact O-CB 3.45Å; G298-R301 PolarHBondContact O-N 3.39Å; G298-R301 VanDerWaalsContact O-N 3.17Å; L299-R301 VanDerWaalsContact C-N 3.33Å; L299-R301 PolarHBondContact O-N 3.48Å; R301-G304 PolarHBondContact O-N 3.5Å; R301-N305 WeakPolarHBondContact O-CB 3.3Å; R301-N305 PolarHBondContact O-N 3.46Å |
| 302 | L | 92.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 64 Ų | 64 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 175.2 | -73.1 | 173.6 | 0 | 0 | 0 | 110.8 | Y267 Y277 Y280 G298 L299 G304 N305 H306 | Y267-L302 VanDerWaalsContact OH-C 3.23Å; Y267-L302 WeakPolarHBondContact OH-CB 3.42Å; Y267-L302 PolarHBondContact OH-O 3.47Å; Y267-L302 VanDerWaalsContact OH-O 3.14Å; Y277-L302 HydrophobicContact CD1-CD1 3.82Å; Y277-L302 HydrophobicContact CE1-CD1 4.11Å; Y277-L302 HydrophobicContact CE1-CD2 4.23Å; Y280-L302 HydrophobicContact CD1-CD1 3.96Å; Y280-L302 HydrophobicContact CD2-CD1 3.85Å; Y280-L302 HydrophobicContact CE1-CD1 4.29Å; Y280-L302 HydrophobicContact CE2-CD1 4.2Å; Y280-L302 HydrophobicContact CG-CD1 3.71Å; G298-L302 WeakPolarHBondContact O-CG 3.4Å; G298-L302 PolarHBondContact O-N 3.38Å; L299-L302 PolarHBondContact O-N 3.15Å; L302-G304 PolarHBondContact O-N 3.13Å; L302-N305 PolarHBondContact O-N 3.37Å; L302-H306 WeakPolarHBondContact O-CB 3.13Å; L302-H306 PolarHBondContact O-N 3.18Å |
| 303 | W | 93 | Very high | 91.9 | Very high | 22 Ų | 22 | 64 Ų | 64 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 175.1 | 175.2 | -119.2 | 0 | 0 | 0 | 113 | L264 Y267 L299 A300 H306 K307 M317 | L264-W303 HydrophobicContact CB-CH2 4.18Å; L264-W303 HydrophobicContact CB-CZ2 4Å; L264-W303 HydrophobicContact CD1-CB 4.48Å; L264-W303 HydrophobicContact CD1-CD2 3.7Å; L264-W303 HydrophobicContact CD1-CE3 4.04Å; L264-W303 HydrophobicContact CD1-CG 3.89Å; L264-W303 HydrophobicContact CD1-CZ2 4.41Å; Y267-W303 HydrophobicContact CD1-CB 4.38Å; Y267-W303 HydrophobicContact CD1-CD2 4.35Å; Y267-W303 AromaticContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CE3 3.47Å; Y267-W303 VanDerWaalsContact CD1-CE3 3.47Å; Y267-W303 HydrophobicContact CD1-CZ3 4.11Å; Y267-W303 HydrophobicContact CD2-CE3 4.09Å; Y267-W303 HydrophobicContact CD2-CZ3 4.2Å; Y267-W303 HydrophobicContact CE1-CB 4.02Å; Y267-W303 AromaticContact CE1-CE3 3.96Å; Y267-W303 HydrophobicContact CE1-CE3 3.96Å; Y267-W303 AromaticContact CG-CE3 3.54Å; Y267-W303 HydrophobicContact CG-CE3 3.54Å; Y267-W303 AromaticContact CG-CZ3 3.72Å; Y267-W303 HydrophobicContact CG-CZ3 3.72Å; L299-W303 PolarHBondContact O-N 2.87Å; A300-W303 PolarHBondContact O-N 3.4Å; W303-H306 HydrophobicContact CE3-CB 4.38Å; W303-H306 AromaticContact CE3-CD2 3.79Å; W303-H306 AromaticContact CZ3-CD2 3.47Å; W303-H306 VanDerWaalsContact CZ3-CD2 3.47Å; W303-H306 WeakPolarHBondContact CZ3-CD2 3.35Å; W303-H306 WeakPolarHBondContact O-CB 3.36Å; W303-H306 PolarHBondContact O-N 3.24Å; W303-K307 HydrophobicContact CD2-CG 3.88Å; W303-K307 HydrophobicContact CE3-CG 4.05Å; W303-K307 HydrophobicContact CH2-CD 3.57Å; W303-K307 HydrophobicContact CH2-CG 3.73Å; W303-K307 HydrophobicContact CZ2-CD 3.67Å; W303-K307 HydrophobicContact CZ2-CG 3.5Å; W303-K307 HydrophobicContact CZ3-CD 4.08Å; W303-K307 HydrophobicContact CZ3-CG 3.99Å; W303-K307 WeakPolarHBondContact O-CG 3Å; W303-K307 PolarHBondContact O-N 3.45Å; W303-M317 HydrophobicContact CB-SD 3.95Å; W303-M317 HydrophobicContact CG-CG 4.35Å; W303-M317 HydrophobicContact CG-SD 4.21Å |
| 304 | G | 90.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.7 | -49.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A300 R301 L302 H306 K307 N308 R309 | A300-G304 PolarHBondContact O-N 3.15Å; R301-G304 PolarHBondContact O-N 3.5Å; L302-G304 PolarHBondContact O-N 3.13Å; G304-H306 VanDerWaalsContact C-N 3.31Å; G304-H306 PolarHBondContact O-N 3.09Å; G304-K307 CarbonylContact O-C 3.25Å; G304-K307 PolarHBondContact O-N 2.82Å; G304-K307 VanDerWaalsContact O-N 3.15Å; G304-N308 PolarHBondContact O-N 3.01Å; G304-R309 CarbonylContact C-O 3.18Å; G304-R309 VanDerWaalsContact C-O 3.25Å; G304-R309 WeakPolarHBondContact CA-O 3.46Å; G304-R309 PolarHBondContact O-N 3.15Å |
| 305 | N | 88.9 | Confident | 91.8 | Very high | 77 Ų | 77 | 69.5 Ų | 69.5 | 41% | 0.412 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.5 | -39.1 | 177.2 | -168.1 | 53.4 | 0 | 0 | 0 | 112.4 | N255 R301 L302 K307 N308 | N255-N305 PolarHBondContact O-ND2 3.2Å; R301-N305 WeakPolarHBondContact O-CB 3.3Å; R301-N305 PolarHBondContact O-N 3.46Å; L302-N305 PolarHBondContact O-N 3.37Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.33Å; N305-N308 PolarHBondContact O-N 3.43Å |
| 306 | H | 85.9 | Confident | 91.8 | Very high | 36 Ų | 36 | 72.6 Ų | 72.6 | 17% | 0.167 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 174.9 | -176.9 | 55.3 | 0 | 0 | 0 | 112.5 | G256 I258 C261 Y267 L302 W303 G304 | G256-H306 WeakPolarHBondContact O-CB 3.1Å; I258-H306 PolarHBondContact N-ND1 3.47Å; I258-H306 VanDerWaalsContact N-ND1 3.17Å; I258-H306 PolarHBondContact O-CE1 3.35Å; C261-H306 PolarHBondContact O-NE2 3.27Å; Y267-H306 HydrophobicContact CD2-CB 4.42Å; Y267-H306 AromaticContact CD2-CD2 3.79Å; Y267-H306 AromaticContact CD2-CG 3.91Å; Y267-H306 HydrophobicContact CE2-CB 3.76Å; Y267-H306 AromaticContact CE2-CD2 3.96Å; Y267-H306 AromaticContact CE2-CG 3.6Å; L302-H306 WeakPolarHBondContact O-CB 3.13Å; L302-H306 PolarHBondContact O-N 3.18Å; W303-H306 HydrophobicContact CE3-CB 4.38Å; W303-H306 AromaticContact CE3-CD2 3.79Å; W303-H306 AromaticContact CZ3-CD2 3.47Å; W303-H306 VanDerWaalsContact CZ3-CD2 3.47Å; W303-H306 WeakPolarHBondContact CZ3-CD2 3.35Å; W303-H306 WeakPolarHBondContact O-CB 3.36Å; W303-H306 PolarHBondContact O-N 3.24Å; G304-H306 VanDerWaalsContact C-N 3.31Å; G304-H306 PolarHBondContact O-N 3.09Å |
| 307 | K | 84.9 | Confident | 91.8 | Very high | 94 Ų | 94 | 71.4 Ų | 71.4 | 41% | 0.409 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.8 | -179.6 | -64.6 | -70.5 | -70.5 | -160.5 | 0 | 114.2 | R262 W303 G304 N305 R309 | R262-K307 PolarHBondContact O-NZ 3.27Å; W303-K307 HydrophobicContact CD2-CG 3.88Å; W303-K307 HydrophobicContact CE3-CG 4.05Å; W303-K307 HydrophobicContact CH2-CD 3.57Å; W303-K307 HydrophobicContact CH2-CG 3.73Å; W303-K307 HydrophobicContact CZ2-CD 3.67Å; W303-K307 HydrophobicContact CZ2-CG 3.5Å; W303-K307 HydrophobicContact CZ3-CD 4.08Å; W303-K307 HydrophobicContact CZ3-CG 3.99Å; W303-K307 WeakPolarHBondContact O-CG 3Å; W303-K307 PolarHBondContact O-N 3.45Å; G304-K307 CarbonylContact O-C 3.25Å; G304-K307 PolarHBondContact O-N 2.82Å; G304-K307 VanDerWaalsContact O-N 3.15Å; N305-K307 VanDerWaalsContact C-N 3.33Å; N305-K307 PolarHBondContact O-N 3.33Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 HydrophobicContact CB-CG 4.04Å; K307-R309 PolarHBondContact O-N 2.75Å |
| 308 | N | 85.4 | Confident | 91.9 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 47.2 | -171.2 | -155.7 | 65.7 | 0 | 0 | 0 | 112.6 | G304 N305 | G304-N308 PolarHBondContact O-N 3.01Å; N305-N308 PolarHBondContact O-N 3.43Å |
| 309 | R | 87.1 | Confident | 92.1 | Very high | 166 Ų | 166 | 73.5 Ų | 73.5 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | trans | -124.3 | 105.9 | 176.9 | -61.4 | -64.1 | -173 | 162.7 | 1.4 | 108.8 | G304 K307 M312 | G304-R309 CarbonylContact C-O 3.18Å; G304-R309 VanDerWaalsContact C-O 3.25Å; G304-R309 WeakPolarHBondContact CA-O 3.46Å; G304-R309 PolarHBondContact O-N 3.15Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 HydrophobicContact CB-CG 4.04Å; K307-R309 PolarHBondContact O-N 2.75Å; R309-M312 HydrophobicContact CB-CE 4.32Å | ||
| 310 | D | 82 | Confident | 92 | Very high | 146 Ų | 146 | 75 Ų | 75 | 78% | 0.781 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -36.3 | -179.8 | 56.1 | -12.7 | 0 | 0 | 0 | 113.7 | M312 | D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.29Å |
| 311 | N | 90.1 | Very high | 91.9 | Very high | 110 Ų | 110 | 75 Ų | 75 | 59% | 0.588 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 29.4 | -176.9 | -65.9 | -63.7 | 0 | 0 | 0 | 113.9 | K316 | N311-K316 PolarHBondContact O-NZ 2.87Š|
| 312 | M | 93.9 | Very high | 92.1 | Very high | 37 Ų | 37 | 71.9 Ų | 71.9 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -79 | 124.8 | 177.9 | -174.4 | 59 | 66.9 | 0 | 0 | 110.6 | A300 R309 D310 K316 M317 | A300-M312 HydrophobicContact CB-CG 4.43Å; A300-M312 WeakPolarHBondContact O-CG 3.34Å; R309-M312 HydrophobicContact CB-CE 4.32Å; D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.29Å; M312-K316 HydrophobicContact SD-CB 4.15Å; M312-M317 HydrophobicContact SD-CB 4.03Å | ||
| 313 | T | 96.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | trans | -120.9 | 160.6 | 176 | 69 | 0 | 0 | 0 | 0 | 110.2 | A300 E315 K316 M317 | A300-T313 VanDerWaalsContact CB-C 3.41Å; T313-E315 PolarHBondContact O-N 2.86Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-K316 VanDerWaalsContact O-N 3.15Å; T313-K316 WeakPolarHBondContact OG1-CG 3.41Å; T313-K316 PolarHBondContact OG1-N 2.91Å; T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 PolarHBondContact O-N 2.96Å | ||
| 314 | Y | 97.1 | Very high | 92.1 | Very high | 38 Ų | 38 | 76.8 Ų | 76.8 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -35.2 | 176.4 | -177.7 | -102.5 | 0 | 0 | 0 | 111.9 | V293 P296 A300 K316 M317 S318 L338 F340 | V293-Y314 HydrophobicContact CG1-CE2 4.13Å; P296-Y314 HydrophobicContact CB-CD1 3.9Å; P296-Y314 HydrophobicContact CB-CD2 3.44Å; P296-Y314 VanDerWaalsContact CB-CD2 3.44Å; P296-Y314 HydrophobicContact CB-CE1 4.33Å; P296-Y314 HydrophobicContact CB-CE2 3.94Å; P296-Y314 HydrophobicContact CB-CG 3.43Å; P296-Y314 VanDerWaalsContact CB-CG 3.43Å; A300-Y314 VanDerWaalsContact CB-N 3.27Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.4Å; Y314-M317 HydrophobicContact CD2-CE 3.48Å; Y314-M317 VanDerWaalsContact CD2-CE 3.48Å; Y314-M317 HydrophobicContact CE2-CE 3.7Å; Y314-M317 PolarHBondContact O-N 2.84Å; Y314-S318 WeakPolarHBondContact O-CB 3.38Å; Y314-S318 PolarHBondContact O-N 2.72Å; Y314-S318 PolarHBondContact O-OG 3.17Å; Y314-L338 HydrophobicContact CE1-CD2 3.69Å; Y314-L338 HydrophobicContact CE2-CD2 4.34Å; Y314-L338 WeakPolarHBondContact OH-CD2 3.36Å; Y314-F340 WeakPolarHBondContact OH-CZ 3.5Å |
| 315 | E | 95.9 | Very high | 92.2 | Very high | 145 Ų | 145 | 80.3 Ų | 80.3 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 176.8 | -61 | -166.2 | 107.6 | 0 | 0 | 112.6 | T313 S318 R319 | T313-E315 PolarHBondContact O-N 2.86Å; E315-S318 PolarHBondContact O-OG 2.9Å; E315-S318 VanDerWaalsContact O-OG 3.08Å; E315-R319 WeakPolarHBondContact O-CG 3.24Å |
| 316 | K | 96.3 | Very high | 92.3 | Very high | 121 Ų | 121 | 85.3 Ų | 85.3 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -71.8 | -49.1 | 175.7 | -67.2 | 175.7 | -173.6 | 176 | 0 | 110.9 | N311 M312 T313 Y314 S318 R319 | N311-K316 PolarHBondContact O-NZ 2.87Å; M312-K316 HydrophobicContact SD-CB 4.15Å; T313-K316 PolarHBondContact O-N 3.27Å; T313-K316 VanDerWaalsContact O-N 3.15Å; T313-K316 WeakPolarHBondContact OG1-CG 3.41Å; T313-K316 PolarHBondContact OG1-N 2.91Å; Y314-K316 VanDerWaalsContact C-N 3.33Å; Y314-K316 PolarHBondContact O-N 3.4Å; K316-S318 VanDerWaalsContact C-N 3.33Å; K316-S318 PolarHBondContact O-N 3.37Å; K316-R319 VanDerWaalsContact O-CB 3.3Å; K316-R319 WeakPolarHBondContact O-CB 3.4Å; K316-R319 WeakPolarHBondContact O-CG 3.26Å; K316-R319 PolarHBondContact O-N 3.49Å; K316-R319 VanDerWaalsContact O-N 3.15Å |
| 317 | M | 96.5 | Very high | 92.3 | Very high | 4 Ų | 4 | 88.3 Ų | 88.3 | 2% | 0.02 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 179.8 | -176.2 | -171.4 | 77.8 | 0 | 0 | 111.9 | L264 L299 A300 W303 M312 T313 Y314 R319 A320 | L264-M317 HydrophobicContact CD1-CG 3.78Å; L264-M317 HydrophobicContact CD1-SD 3.89Å; L264-M317 HydrophobicContact CD2-CG 3.59Å; L264-M317 WeakPolarHBondContact CD2-O 3.32Å; L264-M317 HydrophobicContact CG-CG 4.36Å; L299-M317 HydrophobicContact CD2-CE 3.77Å; L299-M317 HydrophobicContact CG-CE 3.91Å; L299-M317 HydrophobicContact CG-SD 4.23Å; A300-M317 HydrophobicContact CB-SD 4.46Å; W303-M317 HydrophobicContact CB-SD 3.95Å; W303-M317 HydrophobicContact CG-CG 4.35Å; W303-M317 HydrophobicContact CG-SD 4.21Å; M312-M317 HydrophobicContact SD-CB 4.03Å; T313-M317 WeakPolarHBondContact O-CB 3.46Å; T313-M317 PolarHBondContact O-N 2.96Å; Y314-M317 HydrophobicContact CD2-CE 3.48Å; Y314-M317 VanDerWaalsContact CD2-CE 3.48Å; Y314-M317 HydrophobicContact CE2-CE 3.7Å; Y314-M317 PolarHBondContact O-N 2.84Å; M317-R319 PolarHBondContact O-N 3.21Å; M317-R319 VanDerWaalsContact O-N 3.14Å; M317-A320 WeakPolarHBondContact O-CB 3.28Å; M317-A320 PolarHBondContact O-N 3.22Å |
| 318 | S | 96.8 | Very high | 92.6 | Very high | 8 Ų | 8 | 88.4 Ų | 88.4 | 6% | 0.056 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.1 | -14.3 | 179.9 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | Y314 E315 K316 A320 L321 R322 | Y314-S318 WeakPolarHBondContact O-CB 3.38Å; Y314-S318 PolarHBondContact O-N 2.72Å; Y314-S318 PolarHBondContact O-OG 3.17Å; E315-S318 PolarHBondContact O-OG 2.9Å; E315-S318 VanDerWaalsContact O-OG 3.08Å; K316-S318 VanDerWaalsContact C-N 3.33Å; K316-S318 PolarHBondContact O-N 3.37Å; S318-A320 VanDerWaalsContact C-N 3.35Å; S318-L321 WeakPolarHBondContact O-CB 3.31Å; S318-L321 PolarHBondContact O-N 3.44Å; S318-R322 WeakPolarHBondContact O-CG 3.14Å; S318-R322 PolarHBondContact O-N 2.76Å |
| 319 | R | 96.2 | Very high | 92.8 | Very high | 148 Ų | 148 | 83 Ų | 83 | 56% | 0.558 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.2 | -44.4 | 168.6 | -59.8 | -59.8 | 175.1 | 129.1 | -4.5 | 111.1 | E315 K316 M317 L321 R322 H323 | E315-R319 WeakPolarHBondContact O-CG 3.24Å; K316-R319 VanDerWaalsContact O-CB 3.3Å; K316-R319 WeakPolarHBondContact O-CB 3.4Å; K316-R319 WeakPolarHBondContact O-CG 3.26Å; K316-R319 PolarHBondContact O-N 3.49Å; K316-R319 VanDerWaalsContact O-N 3.15Å; M317-R319 PolarHBondContact O-N 3.21Å; M317-R319 VanDerWaalsContact O-N 3.14Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 2.93Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-R322 VanDerWaalsContact O-N 3.15Å; R319-H323 PolarHBondContact O-CD2 3.2Å; R319-H323 PolarHBondContact O-N 3.47Å; R319-H323 VanDerWaalsContact O-N 3.08Å |
| 320 | A | 94.6 | Very high | 93.2 | Very high | 33 Ų | 33 | 75.1 Ų | 75.1 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L264 M317 S318 R322 H323 Y324 | L264-A320 HydrophobicContact CB-CB 4.45Å; L264-A320 HydrophobicContact CD2-CB 3.69Å; M317-A320 WeakPolarHBondContact O-CB 3.28Å; M317-A320 PolarHBondContact O-N 3.22Å; S318-A320 VanDerWaalsContact C-N 3.35Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.39Å; A320-H323 WeakPolarHBondContact O-CB 3.22Å; A320-H323 PolarHBondContact O-N 2.7Å; A320-H323 VanDerWaalsContact O-N 3.15Å; A320-Y324 HydrophobicContact CB-CE2 4.44Å; A320-Y324 VanDerWaalsContact O-CD2 3.3Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 PolarHBondContact O-N 3.33Å; A320-Y324 VanDerWaalsContact O-N 3.09Å |
| 321 | L | 94.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.01 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.9 | -41 | 173.4 | -62.8 | 179 | 0 | 0 | 0 | 112.1 | L264 S318 R319 H323 Y324 Y325 I330 F340 | L264-L321 HydrophobicContact CD2-CD2 3.8Å; L264-L321 HydrophobicContact CD2-CG 3.92Å; L264-L321 HydrophobicContact CG-CD2 4.39Å; S318-L321 WeakPolarHBondContact O-CB 3.31Å; S318-L321 PolarHBondContact O-N 3.44Å; R319-L321 VanDerWaalsContact C-N 3.33Å; R319-L321 PolarHBondContact O-N 2.93Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 3.47Å; L321-Y324 HydrophobicContact CD2-CD2 4.14Å; L321-Y324 HydrophobicContact CD2-CE2 4.48Å; L321-Y324 WeakPolarHBondContact O-CB 3.36Å; L321-Y324 PolarHBondContact O-N 2.78Å; L321-Y324 VanDerWaalsContact O-N 3.13Å; L321-Y325 WeakPolarHBondContact O-CD1 3.31Å; L321-Y325 WeakPolarHBondContact O-CE1 3.06Å; L321-Y325 PolarHBondContact O-N 3.42Å; L321-I330 HydrophobicContact CD2-CD1 3.94Å; L321-F340 HydrophobicContact CD1-CE1 4.45Å; L321-F340 HydrophobicContact CD1-CE2 4.47Å; L321-F340 HydrophobicContact CD1-CZ 4.16Å |
| 322 | R | 94.4 | Very high | 94 | Very high | 123 Ų | 123 | 70.2 Ų | 70.2 | 46% | 0.464 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 176 | -66.3 | 169.3 | -166.2 | -175.8 | 2.5 | 112.6 | S318 R319 A320 Y324 Y325 | S318-R322 WeakPolarHBondContact O-CG 3.14Å; S318-R322 PolarHBondContact O-N 2.76Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 3.15Å; R319-R322 VanDerWaalsContact O-N 3.15Å; A320-R322 VanDerWaalsContact C-N 3.3Å; A320-R322 PolarHBondContact O-N 3.39Å; R322-Y324 PolarHBondContact O-N 2.88Å; R322-Y325 HydrophobicContact CB-CD2 4.3Å; R322-Y325 HydrophobicContact CB-CE2 4.1Å; R322-Y325 HydrophobicContact CG-CD2 4.46Å; R322-Y325 HydrophobicContact CG-CE2 3.79Å; R322-Y325 VanDerWaalsContact O-CB 3.31Å; R322-Y325 WeakPolarHBondContact O-CB 3.49Å; R322-Y325 PolarHBondContact O-N 3.07Å |
| 323 | H | 92.9 | Very high | 94.1 | Very high | 123 Ų | 123 | 70.3 Ų | 70.3 | 57% | 0.569 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.7 | -35.8 | 173.1 | -71.4 | -70.2 | 0 | 0 | 0 | 111.6 | R319 A320 L321 Y325 K326 L327 | R319-H323 PolarHBondContact O-CD2 3.2Å; R319-H323 PolarHBondContact O-N 3.47Å; R319-H323 VanDerWaalsContact O-N 3.08Å; A320-H323 WeakPolarHBondContact O-CB 3.22Å; A320-H323 PolarHBondContact O-N 2.7Å; A320-H323 VanDerWaalsContact O-N 3.15Å; L321-H323 VanDerWaalsContact C-N 3.34Å; L321-H323 PolarHBondContact O-N 3.47Å; H323-Y325 PolarHBondContact O-N 3.29Å; H323-K326 PolarHBondContact O-N 3.08Å; H323-L327 PolarHBondContact O-N 3.37Å |
| 324 | Y | 94.3 | Very high | 93.9 | Very high | 21 Ų | 21 | 79.2 Ų | 79.2 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -18.4 | 176 | -60.1 | -32.1 | 0 | 0 | 0 | 114.4 | L264 W265 A320 L321 R322 L327 N328 I329 I330 | L264-Y324 HydrophobicContact CB-CE2 3.99Å; L264-Y324 HydrophobicContact CD2-CE2 4.38Å; L264-Y324 HydrophobicContact CG-CE2 4.39Å; L264-Y324 PolarHBondContact N-OH 2.7Å; W265-Y324 HydrophobicContact CB-CD2 4.01Å; W265-Y324 HydrophobicContact CB-CE2 3.65Å; W265-Y324 AromaticContact CD1-CE1 3.8Å; W265-Y324 AromaticContact CD1-CZ 3.64Å; W265-Y324 HydrophobicContact CG-CE2 4.39Å; W265-Y324 PolarHBondContact N-OH 3.39Å; A320-Y324 HydrophobicContact CB-CE2 4.44Å; A320-Y324 VanDerWaalsContact O-CD2 3.3Å; A320-Y324 WeakPolarHBondContact O-CD2 3.47Å; A320-Y324 PolarHBondContact O-N 3.33Å; A320-Y324 VanDerWaalsContact O-N 3.09Å; L321-Y324 HydrophobicContact CD2-CD2 4.14Å; L321-Y324 HydrophobicContact CD2-CE2 4.48Å; L321-Y324 WeakPolarHBondContact O-CB 3.36Å; L321-Y324 PolarHBondContact O-N 2.78Å; L321-Y324 VanDerWaalsContact O-N 3.13Å; R322-Y324 PolarHBondContact O-N 2.88Å; Y324-L327 HydrophobicContact CD1-CD1 4.21Å; Y324-L327 PolarHBondContact O-N 3.21Å; Y324-N328 PolarHBondContact O-N 3.41Å; Y324-I329 HydrophobicContact CD1-CD1 3.97Å; Y324-I329 HydrophobicContact CE1-CD1 4.49Å; Y324-I329 HydrophobicContact CG-CB 4.49Å; Y324-I329 PolarHBondContact O-N 3.11Å; Y324-I330 CarbonylContact C-O 3.58Å; Y324-I330 HydrophobicContact CD2-CD1 3.93Å; Y324-I330 PolarHBondContact O-N 3.16Å |
| 325 | Y | 92.5 | Very high | 93.5 | Very high | 74 Ų | 74 | 81.7 Ų | 81.7 | 29% | 0.29 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 171.9 | -53.1 | -14 | 0 | 0 | 0 | 110.8 | L321 R322 H323 L327 N328 I330 K332 F340 | L321-Y325 WeakPolarHBondContact O-CD1 3.31Å; L321-Y325 WeakPolarHBondContact O-CE1 3.06Å; L321-Y325 PolarHBondContact O-N 3.42Å; R322-Y325 HydrophobicContact CB-CD2 4.3Å; R322-Y325 HydrophobicContact CB-CE2 4.1Å; R322-Y325 HydrophobicContact CG-CD2 4.46Å; R322-Y325 HydrophobicContact CG-CE2 3.79Å; R322-Y325 VanDerWaalsContact O-CB 3.31Å; R322-Y325 WeakPolarHBondContact O-CB 3.49Å; R322-Y325 PolarHBondContact O-N 3.07Å; H323-Y325 PolarHBondContact O-N 3.29Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.03Å; Y325-N328 PolarHBondContact O-N 2.96Å; Y325-I330 VanDerWaalsContact CA-O 3.28Å; Y325-I330 WeakPolarHBondContact CA-O 3.33Å; Y325-I330 WeakPolarHBondContact CD1-O 3.49Å; Y325-K332 HydrophobicContact CE1-CB 4.05Å; Y325-K332 HydrophobicContact CE2-CB 4.04Å; Y325-F340 HydrophobicContact CE1-CD1 4.43Å; Y325-F340 HydrophobicContact CE1-CE1 4.49Å; Y325-F340 WeakPolarHBondContact OH-CE1 3.47Å |
| 326 | K | 89.3 | Confident | 93.4 | Very high | 183 Ų | 183 | 79.2 Ų | 79.2 | 80% | 0.796 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.1 | -33 | 179.1 | -64.9 | -171.3 | 177 | -171.8 | 0 | 112 | H323 N328 | H323-K326 PolarHBondContact O-N 3.08Å; K326-N328 PolarHBondContact O-N 2.86Å |
| 327 | L | 87.4 | Confident | 93.3 | Very high | 99 Ų | 99 | 82.4 Ų | 82.4 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | 0.4 | 179 | -62 | 176.5 | 0 | 0 | 0 | 113.3 | H323 Y324 Y325 I329 | H323-L327 PolarHBondContact O-N 3.37Å; Y324-L327 HydrophobicContact CD1-CD1 4.21Å; Y324-L327 PolarHBondContact O-N 3.21Å; Y325-L327 VanDerWaalsContact C-N 3.29Å; Y325-L327 PolarHBondContact O-N 3.03Å; L327-I329 HydrophobicContact CB-CD1 3.75Å; L327-I329 HydrophobicContact CB-CG1 3.79Å; L327-I329 HydrophobicContact CD1-CD1 4.05Å; L327-I329 PolarHBondContact O-N 3.36Å |
| 328 | N | 89.8 | Confident | 93.2 | Very high | 95 Ų | 95 | 84.5 Ų | 84.5 | 51% | 0.508 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.6 | -174.4 | -65.5 | -51.4 | 0 | 0 | 0 | 112.3 | Y324 Y325 K326 L343 K344 | Y324-N328 PolarHBondContact O-N 3.41Å; Y325-N328 PolarHBondContact O-N 2.96Å; K326-N328 PolarHBondContact O-N 2.86Å; N328-L343 HydrophobicContact CB-CD1 4.4Å; N328-K344 WeakPolarHBondContact O-CD 3.41Å; N328-K344 VanDerWaalsContact O-CG 3.32Å; N328-K344 WeakPolarHBondContact O-CG 3.41Å |
| 329 | I | 90.9 | Very high | 93.2 | Very high | 14 Ų | 14 | 84.4 Ų | 84.4 | 7% | 0.072 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -95.2 | -47.6 | 176.5 | -62.7 | 176.1 | 0 | 0 | 0 | 108.8 | W265 Y324 L327 L343 I349 | W265-I329 HydrophobicContact CB-CG2 4.05Å; W265-I329 HydrophobicContact CG-CG2 4.13Å; Y324-I329 HydrophobicContact CD1-CD1 3.97Å; Y324-I329 HydrophobicContact CE1-CD1 4.49Å; Y324-I329 HydrophobicContact CG-CB 4.49Å; Y324-I329 PolarHBondContact O-N 3.11Å; L327-I329 HydrophobicContact CB-CD1 3.75Å; L327-I329 HydrophobicContact CB-CG1 3.79Å; L327-I329 HydrophobicContact CD1-CD1 4.05Å; L327-I329 PolarHBondContact O-N 3.36Å; I329-L343 PolarHBondContact O-N 3.43Å; I329-I349 HydrophobicContact CD1-CG2 3.89Å; I329-I349 HydrophobicContact CG1-CG1 4.41Å; I329-I349 HydrophobicContact CG1-CG2 4.31Å; I329-I349 HydrophobicContact CG2-CD1 3.6Å; I329-I349 HydrophobicContact CG2-CG1 4.17Å; I329-I349 HydrophobicContact CG2-CG2 4.48Å |
| 330 | I | 94.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 141 | 179.1 | -60.3 | -179.1 | 0 | 0 | 0 | 108 | W265 F291 L321 Y324 Y325 F340 R341 F342 | W265-I330 HydrophobicContact CB-CD1 4.27Å; F291-I330 HydrophobicContact CE1-CG2 4.25Å; F291-I330 HydrophobicContact CZ-CD1 4.21Å; F291-I330 HydrophobicContact CZ-CG2 4.2Å; L321-I330 HydrophobicContact CD2-CD1 3.94Å; Y324-I330 CarbonylContact C-O 3.58Å; Y324-I330 HydrophobicContact CD2-CD1 3.93Å; Y324-I330 PolarHBondContact O-N 3.16Å; Y325-I330 VanDerWaalsContact CA-O 3.28Å; Y325-I330 WeakPolarHBondContact CA-O 3.33Å; Y325-I330 WeakPolarHBondContact CD1-O 3.49Å; I330-F340 HydrophobicContact CG2-CB 3.89Å; I330-F340 HydrophobicContact CG2-CD1 4.32Å; I330-F340 HydrophobicContact CG2-CG 4.46Å; I330-R341 CarbonylContact C-O 3.56Å; I330-R341 VanDerWaalsContact CA-O 3.25Å; I330-R341 WeakPolarHBondContact CA-O 3.46Å; I330-F342 HydrophobicContact CD1-CD1 4.31Å; I330-F342 HydrophobicContact CD1-CE1 3.7Å; I330-F342 HydrophobicContact CD1-CZ 3.91Å; I330-F342 HydrophobicContact CG1-CD1 3.77Å; I330-F342 HydrophobicContact CG1-CE1 3.65Å; I330-F342 HydrophobicContact CG1-CG 4.48Å; I330-F342 HydrophobicContact CG1-CZ 4.27Å |
| 331 | Q | 94.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 79 Ų | 79 | 43% | 0.425 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.9 | 171.7 | -167.7 | 173.6 | 43.9 | 0 | 0 | 110.5 | F340 R341 L343 | Q331-F340 CarbonylContact O-C 3.28Å; Q331-F340 VanDerWaalsContact O-CA 3.29Å; Q331-F340 WeakPolarHBondContact O-CA 3.43Å; Q331-R341 HydrophobicContact CB-CB 4.41Å; Q331-R341 PolarHBondContact N-O 3.14Å; Q331-R341 PolarHBondContact O-N 3.31Å; Q331-L343 HydrophobicContact CB-CD1 3.85Å; Q331-L343 HydrophobicContact CB-CD2 4.02Å; Q331-L343 HydrophobicContact CB-CG 3.83Å; Q331-L343 HydrophobicContact CG-CD1 4.49Å |
| 332 | K | 95.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 79.3 Ų | 79.3 | 27% | 0.265 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 121.5 | 169.3 | 179.6 | 65.6 | -161.8 | 152.9 | 0 | 109.9 | Y325 R334 Q336 L339 F340 | Y325-K332 HydrophobicContact CE1-CB 4.05Å; Y325-K332 HydrophobicContact CE2-CB 4.04Å; K332-R334 PolarHBondContact O-N 3.42Å; K332-Q336 VanDerWaalsContact CE-O 3.23Å; K332-Q336 WeakPolarHBondContact CE-O 3.44Å; K332-Q336 PolarHBondContact NZ-O 3.45Å; K332-L339 PolarHBondContact NZ-O 3.43Å; K332-F340 HydrophobicContact CD-CD1 3.75Å; K332-F340 HydrophobicContact CD-CE1 3.45Å; K332-F340 VanDerWaalsContact CD-CE1 3.45Å; K332-F340 HydrophobicContact CD-CZ 4.23Å |
| 333 | E | 95.4 | Very high | 92.9 | Very high | 39 Ų | 39 | 77 Ų | 77 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 124.2 | 170.8 | -66.6 | -60.3 | 128.1 | 0 | 0 | 109.5 | V290 L339 R341 | V290-E333 HydrophobicContact CG1-CG 4.4Å; E333-L339 HydrophobicContact CB-CB 4.13Å; E333-L339 HydrophobicContact CB-CD2 4.01Å; E333-L339 HydrophobicContact CB-CG 4.18Å; E333-L339 HydrophobicContact CG-CB 4.41Å; E333-L339 HydrophobicContact CG-CD2 3.96Å; E333-L339 HydrophobicContact CG-CG 3.99Å; E333-L339 PolarHBondContact N-O 2.88Å; E333-R341 WeakPolarHBondContact OE1-CB 3.43Å; E333-R341 IonicContact OE1-CZ 3.45Å; E333-R341 IonicContact OE1-NE 3.39Å; E333-R341 PolarHBondContact OE1-NE 3.13Å; E333-R341 IonicContact OE1-NH2 3.09Å; E333-R341 PolarHBondContact OE1-NH2 3.33Å; E333-R341 IonicContact OE2-NH2 3.59Å; E333-R341 PolarHBondContact OE2-NH2 3.46Å |
| 334 | R | 92.1 | Very high | 92.2 | Very high | 241 Ų | 241 | 74.6 Ų | 74.6 | 91% | 0.909 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 142.7 | -178.9 | -65.9 | -175.2 | 178.1 | 178.9 | 0.3 | 109.6 | K332 Q336 | K332-R334 PolarHBondContact O-N 3.42Å; R334-Q336 PolarHBondContact O-N 3.04Å; R334-Q336 VanDerWaalsContact O-N 3.13Å |
| 335 | G | 89.6 | Confident | 91 | Very high | 91 Ų | 91 | 74.2 Ų | 74.2 | 94% | 0.938 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | -13.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 336 | Q | 93 | Very high | 89.6 | Confident | 93 Ų | 93 | 70.9 Ų | 70.9 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | trans | -113.4 | 121 | 179.6 | -65.8 | -143.7 | 46.7 | 0 | 0 | 112.6 | K332 R334 L339 | K332-Q336 VanDerWaalsContact CE-O 3.23Å; K332-Q336 WeakPolarHBondContact CE-O 3.44Å; K332-Q336 PolarHBondContact NZ-O 3.45Å; R334-Q336 PolarHBondContact O-N 3.04Å; R334-Q336 VanDerWaalsContact O-N 3.13Å; Q336-L339 HydrophobicContact CB-CB 3.77Å; Q336-L339 HydrophobicContact CB-CD2 3.85Å; Q336-L339 HydrophobicContact CB-CG 4.48Å; Q336-L339 HydrophobicContact CG-CD2 4.1Å | ||
| 337 | K | 93.7 | Very high | 88.1 | Confident | 188 Ų | 188 | 63.5 Ų | 63.5 | 82% | 0.817 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 142.1 | 174.2 | -66.8 | -178.4 | -178.7 | 176.9 | 0 | 109.8 | L339 | K337-L339 PolarHBondContact O-N 3.19Š|
| 338 | L | 96.1 | Very high | 86.9 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.246 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 7.7 | 175.6 | -54.3 | -178.4 | 0 | 0 | 0 | 117.2 | V293 P296 Y314 F340 | V293-L338 HydrophobicContact CB-CB 4.14Å; V293-L338 PolarHBondContact N-O 3.19Å; V293-L338 WeakPolarHBondContact O-CB 3.46Å; V293-L338 WeakPolarHBondContact O-CD1 3.49Å; P296-L338 HydrophobicContact CG-CD1 4.08Å; Y314-L338 HydrophobicContact CE1-CD2 3.69Å; Y314-L338 HydrophobicContact CE2-CD2 4.34Å; Y314-L338 WeakPolarHBondContact OH-CD2 3.36Å; L338-F340 VanDerWaalsContact C-CE2 3.47Å; L338-F340 VanDerWaalsContact O-CD2 3.29Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 VanDerWaalsContact O-CE2 3.3Å; L338-F340 WeakPolarHBondContact O-CE2 3.32Å |
| 339 | L | 96.8 | Very high | 85.6 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 134.8 | 174.2 | -160.2 | 71.5 | 0 | 0 | 0 | 111.7 | E284 V290 R292 K332 E333 Q336 K337 | E284-L339 HydrophobicContact CB-CD1 3.96Å; E284-L339 HydrophobicContact CG-CD1 4.14Å; V290-L339 HydrophobicContact CG1-CD1 3.66Å; V290-L339 HydrophobicContact CG1-CD2 3.96Å; V290-L339 HydrophobicContact CG1-CG 3.64Å; R292-L339 HydrophobicContact CB-CD1 3.79Å; R292-L339 HydrophobicContact CG-CD1 4.3Å; K332-L339 PolarHBondContact NZ-O 3.43Å; E333-L339 HydrophobicContact CB-CB 4.13Å; E333-L339 HydrophobicContact CB-CD2 4.01Å; E333-L339 HydrophobicContact CB-CG 4.18Å; E333-L339 HydrophobicContact CG-CB 4.41Å; E333-L339 HydrophobicContact CG-CD2 3.96Å; E333-L339 HydrophobicContact CG-CG 3.99Å; E333-L339 PolarHBondContact N-O 2.88Å; Q336-L339 HydrophobicContact CB-CB 3.77Å; Q336-L339 HydrophobicContact CB-CD2 3.85Å; Q336-L339 HydrophobicContact CB-CG 4.48Å; Q336-L339 HydrophobicContact CG-CD2 4.1Å; K337-L339 PolarHBondContact O-N 3.19Å |
| 340 | F | 96.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 160.6 | -174.2 | -56.4 | -85.1 | 0 | 0 | 0 | 110.3 | V290 F291 V293 Y314 L321 Y325 I330 Q331 K332 L338 | V290-F340 CarbonylContact C-O 3.54Å; V290-F340 WeakPolarHBondContact CA-O 3.08Å; F291-F340 HydrophobicContact CD1-CB 4.19Å; F291-F340 HydrophobicContact CD2-CB 4.31Å; F291-F340 HydrophobicContact CD2-CD2 4.43Å; F291-F340 HydrophobicContact CE1-CB 3.6Å; F291-F340 HydrophobicContact CE2-CB 3.74Å; F291-F340 AromaticContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CD2 3.8Å; F291-F340 HydrophobicContact CE2-CG 4.11Å; F291-F340 HydrophobicContact CZ-CB 3.37Å; F291-F340 HydrophobicContact CZ-CD2 4.2Å; F291-F340 HydrophobicContact CZ-CG 4.02Å; F291-F340 PolarHBondContact N-O 3.34Å; F291-F340 PolarHBondContact O-N 3.21Å; F291-F340 VanDerWaalsContact O-O 3.11Å; V293-F340 HydrophobicContact CG2-CD2 4.17Å; V293-F340 HydrophobicContact CG2-CE2 3.87Å; Y314-F340 WeakPolarHBondContact OH-CZ 3.5Å; L321-F340 HydrophobicContact CD1-CE1 4.45Å; L321-F340 HydrophobicContact CD1-CE2 4.47Å; L321-F340 HydrophobicContact CD1-CZ 4.16Å; Y325-F340 HydrophobicContact CE1-CD1 4.43Å; Y325-F340 HydrophobicContact CE1-CE1 4.49Å; Y325-F340 WeakPolarHBondContact OH-CE1 3.47Å; I330-F340 HydrophobicContact CG2-CB 3.89Å; I330-F340 HydrophobicContact CG2-CD1 4.32Å; I330-F340 HydrophobicContact CG2-CG 4.46Å; Q331-F340 CarbonylContact O-C 3.28Å; Q331-F340 VanDerWaalsContact O-CA 3.29Å; Q331-F340 WeakPolarHBondContact O-CA 3.43Å; K332-F340 HydrophobicContact CD-CD1 3.75Å; K332-F340 HydrophobicContact CD-CE1 3.45Å; K332-F340 VanDerWaalsContact CD-CE1 3.45Å; K332-F340 HydrophobicContact CD-CZ 4.23Å; L338-F340 VanDerWaalsContact C-CE2 3.47Å; L338-F340 VanDerWaalsContact O-CD2 3.29Å; L338-F340 WeakPolarHBondContact O-CD2 3.29Å; L338-F340 VanDerWaalsContact O-CE2 3.3Å; L338-F340 WeakPolarHBondContact O-CE2 3.32Å |
| 341 | R | 94.8 | Very high | 82.4 | Confident | 63 Ų | 63 | 68.6 Ų | 68.6 | 24% | 0.238 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 134.4 | 179.6 | -176.8 | -172.5 | -57.8 | -93.1 | 1.8 | 110.8 | T288 H289 V290 I330 Q331 E333 | T288-R341 WeakPolarHBondContact O-CG 3.45Å; T288-R341 PolarHBondContact O-NH1 3.18Å; T288-R341 PolarHBondContact OG1-NH1 3.4Å; T288-R341 VanDerWaalsContact OG1-NH1 3.1Å; H289-R341 WeakPolarHBondContact O-CA 3.38Å; V290-R341 HydrophobicContact CG2-CB 4.2Å; V290-R341 HydrophobicContact CG2-CG 4.1Å; I330-R341 CarbonylContact C-O 3.56Å; I330-R341 VanDerWaalsContact CA-O 3.25Å; I330-R341 WeakPolarHBondContact CA-O 3.46Å; Q331-R341 HydrophobicContact CB-CB 4.41Å; Q331-R341 PolarHBondContact N-O 3.14Å; Q331-R341 PolarHBondContact O-N 3.31Å; E333-R341 WeakPolarHBondContact OE1-CB 3.43Å; E333-R341 IonicContact OE1-CZ 3.45Å; E333-R341 IonicContact OE1-NE 3.39Å; E333-R341 PolarHBondContact OE1-NE 3.13Å; E333-R341 IonicContact OE1-NH2 3.09Å; E333-R341 PolarHBondContact OE1-NH2 3.33Å; E333-R341 IonicContact OE2-NH2 3.59Å; E333-R341 PolarHBondContact OE2-NH2 3.46Å |
| 342 | F | 94.1 | Very high | 80.4 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 124 | 166.7 | -81.8 | -80.9 | 0 | 0 | 0 | 109.9 | W265 V268 Y269 L272 W283 H289 F291 I330 | W265-F342 HydrophobicContact CB-CE1 4.3Å; V268-F342 HydrophobicContact CB-CZ 4.49Å; V268-F342 HydrophobicContact CG1-CE2 4Å; V268-F342 HydrophobicContact CG1-CZ 3.87Å; Y269-F342 HydrophobicContact CD2-CE2 4.47Å; L272-F342 HydrophobicContact CD1-CE2 3.96Å; W283-F342 AromaticContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CD2 3.95Å; W283-F342 HydrophobicContact CH2-CE2 4.36Å; W283-F342 HydrophobicContact CZ3-CD2 4.26Å; H289-F342 HydrophobicContact CB-CB 4.03Å; H289-F342 PolarHBondContact O-N 3.16Å; F291-F342 AromaticContact CD1-CD2 3.59Å; F291-F342 HydrophobicContact CD1-CD2 3.59Å; F291-F342 AromaticContact CD1-CE2 3.66Å; F291-F342 HydrophobicContact CD1-CE2 3.66Å; F291-F342 AromaticContact CE1-CD2 3.46Å; F291-F342 HydrophobicContact CE1-CD2 3.46Å; F291-F342 VanDerWaalsContact CE1-CD2 3.46Å; F291-F342 AromaticContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CE2 3.35Å; F291-F342 HydrophobicContact CE1-CG 4.3Å; F291-F342 HydrophobicContact CE1-CZ 4.14Å; F291-F342 HydrophobicContact CZ-CE2 4.06Å; I330-F342 HydrophobicContact CD1-CD1 4.31Å; I330-F342 HydrophobicContact CD1-CE1 3.7Å; I330-F342 HydrophobicContact CD1-CZ 3.91Å; I330-F342 HydrophobicContact CG1-CD1 3.77Å; I330-F342 HydrophobicContact CG1-CE1 3.65Å; I330-F342 HydrophobicContact CG1-CG 4.48Å; I330-F342 HydrophobicContact CG1-CZ 4.27Å |
| 343 | L | 88 | Confident | 78.4 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 40% | 0.398 | 34% | 0.342 | S | S | . | . | trans | -93 | -30.1 | 177.2 | -66.6 | -177.7 | 0 | 0 | 0 | 112.4 | N328 I329 Q331 | N328-L343 HydrophobicContact CB-CD1 4.4Å; I329-L343 PolarHBondContact O-N 3.43Å; Q331-L343 HydrophobicContact CB-CD1 3.85Å; Q331-L343 HydrophobicContact CB-CD2 4.02Å; Q331-L343 HydrophobicContact CB-CG 3.83Å; Q331-L343 HydrophobicContact CG-CD1 4.49Å | ||
| 344 | K | 78.3 | Confident | 76.2 | Confident | 71 Ų | 71 | 75.3 Ų | 75.3 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -116.2 | 142.5 | 175.7 | -74.7 | 178.3 | 179 | -179.4 | 0 | 109.6 | N328 I349 | N328-K344 WeakPolarHBondContact O-CD 3.41Å; N328-K344 VanDerWaalsContact O-CG 3.32Å; N328-K344 WeakPolarHBondContact O-CG 3.41Å; K344-I349 HydrophobicContact CB-CD1 4.01Å; K344-I349 HydrophobicContact CB-CG1 3.57Å; K344-I349 HydrophobicContact CD-CG1 4.46Å; K344-I349 WeakPolarHBondContact O-CD1 3.24Å |
| 345 | L | 68.8 | Low | 73.9 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.073 | 35% | 0.346 | C | S | . | . | trans | -79.3 | 149.8 | 176.9 | -148.1 | 98.6 | 0 | 0 | 0 | 111 | V131 H289 Q347 D348 I349 | V131-L345 HydrophobicContact CB-CD1 3.78Å; V131-L345 HydrophobicContact CB-CD2 3.56Å; V131-L345 HydrophobicContact CB-CG 3.99Å; V131-L345 HydrophobicContact CG1-CB 3.94Å; V131-L345 HydrophobicContact CG1-CD1 3.41Å; V131-L345 VanDerWaalsContact CG1-CD1 3.41Å; V131-L345 HydrophobicContact CG1-CD2 3.51Å; V131-L345 HydrophobicContact CG1-CG 3.58Å; V131-L345 HydrophobicContact CG2-CD1 3.09Å; V131-L345 HydrophobicContact CG2-CD2 3.3Å; V131-L345 HydrophobicContact CG2-CG 3.56Å; H289-L345 VanDerWaalsContact CE1-CD1 3.49Å; H289-L345 WeakPolarHBondContact CE1-CD1 3.47Å; L345-Q347 HydrophobicContact CD2-CG 3.99Å; L345-Q347 PolarHBondContact O-N 3.18Å; L345-D348 PolarHBondContact O-N 2.98Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.88Å | ||
| 346 | P | 62.8 | Low | 71.7 | Confident | 3 Ų | 3 | 70.4 Ų | 70.4 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -53.3 | -16.8 | -178.6 | -35.3 | 42.1 | 0 | 0 | 0 | 116.6 | W265 Y269 R350 | W265-P346 HydrophobicContact CH2-CB 4.36Å; W265-P346 HydrophobicContact CZ3-CB 3.79Å; W265-P346 HydrophobicContact CZ3-CG 4.1Å; Y269-P346 HydrophobicContact CD1-CG 3.76Å; Y269-P346 HydrophobicContact CD2-CG 3.82Å; Y269-P346 HydrophobicContact CE1-CG 3.84Å; Y269-P346 HydrophobicContact CE2-CG 3.92Å; Y269-P346 HydrophobicContact CG-CG 3.75Å; P346-R350 WeakPolarHBondContact O-CG 3.48Å; P346-R350 PolarHBondContact O-NE 2.72Å |
| 347 | Q | 57.4 | Low | 69 | Low | 28 Ų | 28 | 70.6 Ų | 70.6 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.7 | -42.7 | 175 | -51.4 | -47.4 | -33 | 0 | 0 | 111.8 | R127 R128 L345 R350 K351 | R127-Q347 PolarHBondContact O-NE2 2.89Å; R128-Q347 HydrophobicContact CB-CG 4.2Å; R128-Q347 VanDerWaalsContact CG-CD 3.49Å; R128-Q347 HydrophobicContact CG-CG 4.28Å; R128-Q347 VanDerWaalsContact CG-NE2 3.34Å; L345-Q347 HydrophobicContact CD2-CG 3.99Å; L345-Q347 PolarHBondContact O-N 3.18Å; Q347-R350 PolarHBondContact O-N 3.46Å; Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.19Å |
| 348 | D | 61.9 | Low | 66.2 | Low | 79 Ų | 79 | 64.3 Ų | 64.3 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -75.5 | -31.4 | -177.6 | -55.8 | -39.9 | 0 | 0 | 0 | 111.5 | L345 R350 H352 | L345-D348 PolarHBondContact O-N 2.98Å; D348-R350 VanDerWaalsContact C-N 3.29Å; D348-R350 PolarHBondContact O-N 3.01Å; D348-H352 PolarHBondContact O-N 2.65Å |
| 349 | I | 64 | Low | 62.9 | Low | 8 Ų | 8 | 67 Ų | 67 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.7 | -32.2 | 174.6 | -53.5 | 158.7 | 0 | 0 | 0 | 111.2 | W265 I329 K344 L345 | W265-I349 HydrophobicContact CD2-CD1 4.24Å; W265-I349 HydrophobicContact CD2-CG2 4Å; W265-I349 VanDerWaalsContact CE2-CG2 3.44Å; W265-I349 HydrophobicContact CE3-CD1 3.76Å; W265-I349 HydrophobicContact CE3-CG2 4.4Å; W265-I349 HydrophobicContact CH2-CB 3.92Å; W265-I349 HydrophobicContact CH2-CD1 4.38Å; W265-I349 HydrophobicContact CH2-CG2 3.87Å; W265-I349 HydrophobicContact CZ2-CB 3.95Å; W265-I349 HydrophobicContact CZ2-CG2 3.37Å; W265-I349 HydrophobicContact CZ3-CB 4.27Å; W265-I349 HydrophobicContact CZ3-CD1 3.86Å; W265-I349 HydrophobicContact CZ3-CG2 4.34Å; I329-I349 HydrophobicContact CD1-CG2 3.89Å; I329-I349 HydrophobicContact CG1-CG1 4.41Å; I329-I349 HydrophobicContact CG1-CG2 4.31Å; I329-I349 HydrophobicContact CG2-CD1 3.6Å; I329-I349 HydrophobicContact CG2-CG1 4.17Å; I329-I349 HydrophobicContact CG2-CG2 4.48Å; K344-I349 HydrophobicContact CB-CD1 4.01Å; K344-I349 HydrophobicContact CB-CG1 3.57Å; K344-I349 HydrophobicContact CD-CG1 4.46Å; K344-I349 WeakPolarHBondContact O-CD1 3.24Å; L345-I349 WeakPolarHBondContact O-CG1 3.41Å; L345-I349 PolarHBondContact O-N 2.88Å |
| 350 | R | 63.6 | Low | 60.4 | Low | 104 Ų | 104 | 71.7 Ų | 71.7 | 39% | 0.392 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -77.9 | -36.3 | 178.6 | -83.2 | -176.4 | -77.2 | -178.3 | -11.7 | 113.2 | W265 P346 Q347 D348 Q353 | W265-R350 HydrophobicContact CH2-CG 4.08Å; W265-R350 HydrophobicContact CZ2-CG 4.44Å; P346-R350 WeakPolarHBondContact O-CG 3.48Å; P346-R350 PolarHBondContact O-NE 2.72Å; Q347-R350 PolarHBondContact O-N 3.46Å; D348-R350 VanDerWaalsContact C-N 3.29Å; D348-R350 PolarHBondContact O-N 3.01Å; R350-Q353 PolarHBondContact O-N 3.36Å |
| 351 | K | 54 | Low | 57.5 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 54% | 0.543 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 178.5 | -70.2 | 170.2 | -176.5 | 175.7 | 0 | 111.7 | Q347 Q353 I354 D355 | Q347-K351 WeakPolarHBondContact O-CG 3.37Å; Q347-K351 PolarHBondContact O-N 3.19Å; K351-Q353 VanDerWaalsContact C-N 3.25Å; K351-Q353 PolarHBondContact O-N 3.41Å; K351-I354 PolarHBondContact O-N 3.42Å; K351-D355 PolarHBondContact O-N 2.79Å |
| 352 | H | 53.1 | Low | 54.9 | Low | 116 Ų | 116 | 84.5 Ų | 84.5 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -23.5 | 179.2 | -105.1 | 11.6 | 0 | 0 | 0 | 115.3 | D348 I354 D355 T356 | D348-H352 PolarHBondContact O-N 2.65Å; H352-I354 VanDerWaalsContact C-N 3.31Å; H352-D355 IonicContact ND1-OD2 3.89Å; H352-T356 PolarHBondContact O-N 3.28Å; H352-T356 PolarHBondContact O-OG1 2.84Å |
| 353 | Q | 52.3 | Low | 52.4 | Low | 99 Ų | 99 | 89.5 Ų | 89.5 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.4 | -24.4 | 174.1 | -88.3 | -173.9 | 72.1 | 0 | 0 | 113.1 | R350 K351 S357 | R350-Q353 PolarHBondContact O-N 3.36Å; K351-Q353 VanDerWaalsContact C-N 3.25Å; K351-Q353 PolarHBondContact O-N 3.41Å; Q353-S357 PolarHBondContact O-OG 3.27Å |
| 354 | I | 49.5 | Very low | 50.3 | Low | 116 Ų | 116 | 90.9 Ų | 90.9 | 60% | 0.595 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -78.4 | -43.9 | 177.6 | -61.2 | 167 | 0 | 0 | 0 | 109 | K351 H352 T356 S357 G358 | K351-I354 PolarHBondContact O-N 3.42Å; H352-I354 VanDerWaalsContact C-N 3.31Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.48Å; I354-S357 PolarHBondContact O-N 3.12Å; I354-S357 VanDerWaalsContact O-N 3.12Å; I354-S357 PolarHBondContact O-OG 3.49Å; I354-G358 PolarHBondContact O-N 3.35Å |
| 355 | D | 42.8 | Very low | 48.5 | Very low | 107 Ų | 107 | 93.8 Ų | 93.8 | 57% | 0.572 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.1 | -30 | -178.7 | -52.6 | -31.1 | 0 | 0 | 0 | 112.9 | K351 H352 S357 | K351-D355 PolarHBondContact O-N 2.79Å; H352-D355 IonicContact ND1-OD2 3.89Å; D355-S357 VanDerWaalsContact C-N 3.28Å; D355-S357 PolarHBondContact O-N 3.44Å |
| 356 | T | 43.8 | Very low | 47.1 | Very low | 122 Ų | 122 | 101 Ų | 101 | 75% | 0.748 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -13.1 | 177.6 | -48 | 0 | 0 | 0 | 0 | 112.6 | H352 I354 | H352-T356 PolarHBondContact O-N 3.28Å; H352-T356 PolarHBondContact O-OG1 2.84Å; I354-T356 VanDerWaalsContact C-N 3.31Å; I354-T356 PolarHBondContact O-N 3.48Å |
| 357 | S | 36.3 | Very low | 45.8 | Very low | 97 Ų | 97 | 107.7 Ų | 107.7 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | -3.5 | 178.2 | 64.1 | 0 | 0 | 0 | 0 | 114.3 | Q353 I354 D355 | Q353-S357 PolarHBondContact O-OG 3.27Å; I354-S357 PolarHBondContact O-N 3.12Å; I354-S357 VanDerWaalsContact O-N 3.12Å; I354-S357 PolarHBondContact O-OG 3.49Å; D355-S357 VanDerWaalsContact C-N 3.28Å; D355-S357 PolarHBondContact O-N 3.44Å |
| 358 | G | 34.5 | Very low | 45.2 | Very low | 56 Ų | 56 | 113.7 Ų | 113.7 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | trans | -107.1 | 68.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | I354 | I354-G358 PolarHBondContact O-N 3.35Š| ||
| 359 | S | 27.6 | Very low | 44.1 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | trans | -82.4 | 119.7 | 161.5 | -170.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 360 | P | 43.8 | Very low | 42.6 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | trans | -71.7 | 145.9 | 166.1 | 30.9 | -29.5 | 0 | 0 | 0 | 108.9 | H362 | P360-H362 PolarHBondContact O-N 2.98Š| ||
| 361 | D | 36.3 | Very low | 41.4 | Very low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | trans | -41.1 | 120 | 171.3 | -86.8 | -62.4 | 0 | 0 | 0 | 112.4 | T363 | D361-T363 PolarHBondContact O-N 3.04Š| ||
| 362 | H | 39.3 | Very low | 40.2 | Very low | 184 Ų | 184 | 126.1 Ų | 126.1 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | trans | -89.8 | 91.1 | 155 | -90.8 | -74.6 | 0 | 0 | 0 | 107.8 | P360 | P360-H362 PolarHBondContact O-N 2.98Š| ||
| 363 | T | 42.6 | Very low | 39.4 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -72.9 | 125.4 | 162.5 | -44.9 | 0 | 0 | 0 | 0 | 108.3 | D361 | D361-T363 PolarHBondContact O-N 3.04Š| ||
| 364 | P | 43.3 | Very low | 38.9 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | trans | -76.3 | 134.2 | 173.3 | 30.1 | -29.4 | 0 | 0 | 0 | 109.4 | ||||
| 365 | P | 41.3 | Very low | 38.8 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | -85.3 | 115.4 | 164.4 | 23.1 | -12.2 | 0 | 0 | 0 | 109 | ||||
| 366 | Q | 38.3 | Very low | 38.3 | Very low | 165 Ų | 165 | 128 Ų | 128 | 77% | 0.771 | 76% | 0.759 | S | S | * | * | trans | -89.9 | 140.1 | 161.5 | -82.8 | -171.4 | -33.8 | 0 | 0 | 110.1 | ||||
| 367 | D | 36.9 | Very low | 37.9 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 76.3 | 100.8 | 153.1 | -51.3 | -33.2 | 0 | 0 | 0 | 120 | ||||
| 368 | V | 44.8 | Very low | 37.8 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 93% | 0.933 | 77% | 0.769 | S | S | * | * | -136 | 138.8 | 126.9 | -71.6 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 369 | D | 37.7 | Very low | 37.8 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -83.8 | 172.4 | -164.2 | -137.5 | -61.6 | 0 | 0 | 0 | 113.7 | ||||
| 370 | F | 32.9 | Very low | 38.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | trans | 91.3 | 105.4 | 162.3 | -93.8 | -106.9 | 0 | 0 | 0 | 122.8 | ||||
| 371 | A | 37.7 | Very low | 38 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | 99.2 | 111.5 | 118.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 372 | D | 30.6 | Very low | 38.4 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | 102.1 | 140.9 | 126.2 | -156.7 | 28.6 | 0 | 0 | 0 | 119.8 | |||||
| 373 | S | 35 | Very low | 38.5 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | trans | 91.8 | 96.9 | 167.3 | -54.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 374 | S | 41.8 | Very low | 38.2 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -75.9 | 168.6 | 136.5 | -68.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 375 | P | 47.4 | Very low | 38.2 | Very low | 109 Ų | 109 | 143.4 Ų | 143.4 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | cis | -149.1 | 173.4 | 26.4 | 40.6 | -18.4 | 0 | 0 | 0 | 118.8 | ||||
| 376 | L | 33.2 | Very low | 38.1 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 64.7 | 122.6 | 147.2 | -76.9 | 169 | 0 | 0 | 0 | 122.2 | ||||
| 377 | Q | 35.6 | Very low | 38.4 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | -178 | 95 | 129.6 | -98.2 | 168 | -0.7 | 0 | 0 | 106.6 | |||||
| 378 | D | 33.3 | Very low | 39.2 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 48.5 | 110.1 | 91.3 | -158.5 | 41.1 | 0 | 0 | 0 | 113.1 | |||||
| 379 | L | 35.2 | Very low | 39.1 | Very low | 156 Ų | 156 | 139.4 Ų | 139.4 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 176.8 | 109.1 | 135.7 | -91.3 | 162 | 0 | 0 | 0 | 112.2 | ||||
| 380 | S | 36 | Very low | 39.1 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | 63.3 | 104.2 | 145.1 | 59.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 381 | D | 39.2 | Very low | 39.4 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -39.4 | 130.4 | 140.3 | -139.1 | -92.1 | 0 | 0 | 0 | 113.2 | ||||
| 382 | D | 43.9 | Very low | 39.8 | Very low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -149.7 | 135.3 | 143.6 | -139.2 | -65.6 | 0 | 0 | 0 | 110.5 | ||||
| 383 | H | 42.8 | Very low | 40.8 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 56% | 0.556 | 78% | 0.777 | S | S | * | * | trans | -105.6 | 122.4 | -155.5 | 165.1 | -73.5 | 0 | 0 | 0 | 109.1 | E385 | H383-E385 IonicContact CE1-OE2 3.82Š| ||
| 384 | F | 35.6 | Very low | 41.7 | Very low | 206 Ų | 206 | 143 Ų | 143 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | trans | -132.2 | 94.9 | 163.8 | -117.9 | -89.4 | 0 | 0 | 0 | 111.5 | ||||
| 385 | E | 43.1 | Very low | 42.4 | Very low | 137 Ų | 137 | 142.6 Ų | 142.6 | 64% | 0.64 | 78% | 0.78 | S | S | * | * | trans | -67.3 | 128.1 | 163.9 | -162.4 | -167.4 | 140.2 | 0 | 0 | 109.4 | H383 | H383-E385 IonicContact CE1-OE2 3.82Š| ||
| 386 | V | 39.6 | Very low | 42.8 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 107.7 | 168.1 | 69.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 387 | S | 43.6 | Very low | 43.8 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 143.3 | 168.9 | -83.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 388 | P | 54.1 | Low | 44.4 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | trans | -97.8 | 131.8 | 163.3 | 34.7 | -24.9 | 0 | 0 | 0 | 110.2 | ||||
| 389 | D | 42.8 | Very low | 45.1 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | 158.6 | 131.5 | 127.3 | -145.6 | -84.4 | 0 | 0 | 0 | 109.7 | |||||
| 390 | R | 37.2 | Very low | 46 | Very low | 233 Ų | 233 | 133.3 Ų | 133.3 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | 166 | 128.8 | 124 | -175.5 | 158 | 176.6 | 177.8 | -1.2 | 114.2 | |||||
| 391 | A | 39.4 | Very low | 47.1 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 79% | 0.786 | S | S | * | * | trans | 88.6 | 111.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 392 | S | 46.3 | Very low | 47.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 152.1 | 157.2 | -58.6 | 0 | 0 | 0 | 0 | 114.6 | ||
| 393 | P | 52.8 | Low | 48 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 135.7 | 166.4 | 33.1 | -28.1 | 0 | 0 | 0 | 112.2 | ||
| 394 | Q | 53.7 | Low | 48.3 | Very low | 186 Ų | 186 | 134.1 Ų | 134.1 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 141.6 | 173.1 | -160.3 | 180 | 1.7 | 0 | 0 | 109.7 | ||
| 395 | P | 55.5 | Low | 48.9 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 69% | 0.688 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 155.7 | 178.9 | 34.6 | -32.8 | 0 | 0 | 0 | 112.5 | ||
| 396 | P | 55.8 | Low | 49.2 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 156.2 | 175.8 | 36 | -31.8 | 0 | 0 | 0 | 110.7 | ||
| 397 | P | 53.7 | Low | 49.8 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 85% | 0.845 | S | S | * | * | -152 | 158.1 | 122.1 | 39.2 | -22.1 | 0 | 0 | 0 | 117.1 | |||||
| 398 | T | 49.8 | Very low | 50.2 | Low | 136 Ų | 136 | 131.7 Ų | 131.7 | 83% | 0.834 | 86% | 0.855 | S | S | * | * | trans | 63.5 | 109.4 | 144.6 | 34.5 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 399 | G | 47.7 | Very low | 49.9 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 86% | 0.856 | 86% | 0.859 | S | S | * | * | 79.5 | 114.6 | 110.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 400 | A | 53.3 | Low | 50.5 | Low | 98 Ų | 98 | 130.6 Ų | 130.6 | 81% | 0.81 | 86% | 0.861 | S | S | * | * | trans | -134.7 | 146.3 | 156 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 401 | P | 58.5 | Low | 51.5 | Low | 123 Ų | 123 | 122.8 Ų | 122.8 | 80% | 0.799 | 86% | 0.86 | S | S | * | * | trans | -91.5 | 167 | -172.5 | 37.1 | -34 | 0 | 0 | 0 | 113.7 | ||||
| 402 | V | 52.6 | Low | 52.5 | Low | 148 Ų | 148 | 126 Ų | 126 | 90% | 0.897 | 87% | 0.873 | S | S | * | * | trans | -22.4 | 134.9 | 163.8 | -171.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 403 | G | 50 | Low | 53 | Low | 148 Ų | 148 | 126.8 Ų | 126.8 | 100% | 1.526 | 88% | 0.878 | S | S | * | * | trans | -164.5 | 0 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110 |
Retrieved 403 of 403 residues in 110.7 ms
(Link to these results)