| 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 | 34.4 | Very low | 37.4 | Very low | 248 Ų | 248 | 169.2 Ų | 169.2 | 100% | 1.222 | 86% | 0.863 | S | S | * | * | 0 | 147.9 | 0 | -87.2 | 173.8 | 152.6 | 0 | 0 | 108.7 | |||||
| 2 | S | 36.8 | Very low | 37.3 | Very low | 115 Ų | 115 | 173.9 Ų | 173.9 | 80% | 0.804 | 86% | 0.862 | S | S | * | * | trans | 87.4 | 97.9 | -176.1 | -162 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 3 | R | 36.6 | Very low | 37.7 | Very low | 240 Ų | 240 | 172.1 Ų | 172.1 | 91% | 0.906 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 121.9 | 170.9 | -74.7 | 176 | 169.9 | 177.5 | -3.4 | 108.6 | ||
| 4 | L | 36.7 | Very low | 37.8 | Very low | 154 Ų | 154 | 171.7 Ų | 171.7 | 81% | 0.806 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 117.4 | 168 | -87.7 | 104.7 | 0 | 0 | 0 | 110.4 | ||
| 5 | K | 42.3 | Very low | 38 | Very low | 205 Ų | 205 | 167.6 Ų | 167.6 | 89% | 0.891 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.1 | 169.5 | -74.4 | 178.2 | 173.7 | 179.3 | 0 | 109 | ||
| 6 | F | 37.6 | Very low | 38.5 | Very low | 205 Ų | 205 | 164.1 Ų | 164.1 | 90% | 0.899 | 84% | 0.844 | S | S | * | * | trans | -100.4 | 112 | 161.3 | -101.5 | -90.4 | 0 | 0 | 0 | 108.3 | ||||
| 7 | G | 35.1 | Very low | 38.8 | Very low | 63 Ų | 63 | 162.1 Ų | 162.1 | 65% | 0.649 | 84% | 0.841 | S | S | * | * | trans | -142.5 | 122.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | L | 35.4 | Very low | 38.9 | Very low | 169 Ų | 169 | 164.9 Ų | 164.9 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | trans | -163.8 | 96.3 | 159.3 | -133.1 | 78.5 | 0 | 0 | 0 | 106.7 | ||||
| 9 | L | 37.5 | Very low | 39.1 | Very low | 164 Ų | 164 | 163 Ų | 163 | 86% | 0.859 | 84% | 0.838 | S | S | * | * | 80 | 105.1 | 93.3 | -136.4 | 111.1 | 0 | 0 | 0 | 113 | |||||
| 10 | V | 40.5 | Very low | 39.3 | Very low | 136 Ų | 136 | 161.2 Ų | 161.2 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -76.8 | 118.8 | -177.7 | 177 | 0 | 0 | 0 | 0 | 109.6 | R12 | V10-R12 PolarHBondContact O-N 3.09Š| ||
| 11 | H | 38.3 | Very low | 39.5 | Very low | 162 Ų | 162 | 160.7 Ų | 160.7 | 75% | 0.75 | 83% | 0.833 | S | S | * | * | trans | -84.9 | 108 | 174.2 | -147.8 | -85.9 | 0 | 0 | 0 | 109.7 | ||||
| 12 | R | 36.5 | Very low | 39.8 | Very low | 226 Ų | 226 | 159.3 Ų | 159.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -90.8 | 104.6 | 178.4 | -163.8 | -179.8 | -167.8 | -174.6 | 3.1 | 108 | V10 | V10-R12 PolarHBondContact O-N 3.09Š| ||
| 13 | L | 42 | Very low | 40.1 | Very low | 150 Ų | 150 | 159.8 Ų | 159.8 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 121.3 | 173.7 | -74.8 | 170 | 0 | 0 | 0 | 109.8 | ||
| 14 | L | 40.1 | Very low | 40.3 | Very low | 167 Ų | 167 | 156 Ų | 156 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.9 | 179.1 | -69.9 | 153.8 | 0 | 0 | 0 | 110.2 | ||
| 15 | S | 39.6 | Very low | 40.6 | Very low | 110 Ų | 110 | 157.5 Ų | 157.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 123.4 | 170.6 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | ||
| 16 | P | 46.9 | Very low | 40.7 | Very low | 112 Ų | 112 | 154.5 Ų | 154.5 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 127.8 | 178.7 | 29.3 | -30.5 | 0 | 0 | 0 | 111.5 | ||
| 17 | T | 42.9 | Very low | 41.2 | Very low | 129 Ų | 129 | 149.7 Ų | 149.7 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -78.3 | 114.3 | 172.3 | 48.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | Y | 41 | Very low | 41.6 | Very low | 214 Ų | 214 | 153.2 Ų | 153.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -83.3 | 109.9 | 167.9 | -95.2 | -94.6 | 0 | 0 | 0 | 109.6 | ||||
| 19 | T | 42.5 | Very low | 42.2 | Very low | 128 Ų | 128 | 152.3 Ų | 152.3 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -90.8 | 115.5 | 168.8 | -52.2 | 0 | 0 | 0 | 0 | 108.1 | D21 | T19-D21 PolarHBondContact O-N 3.42Š| ||
| 20 | V | 43.9 | Very low | 42.4 | Very low | 127 Ų | 127 | 152 Ų | 152 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 108.7 | 175.5 | 177 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 21 | D | 43 | Very low | 42.6 | Very low | 151 Ų | 151 | 155 Ų | 155 | 81% | 0.807 | 80% | 0.795 | S | S | * | * | trans | -70.9 | 127.4 | 176.1 | -164.2 | -0.2 | 0 | 0 | 0 | 110.5 | T19 | T19-D21 PolarHBondContact O-N 3.42Š| ||
| 22 | R | 41.2 | Very low | 43.1 | Very low | 218 Ų | 218 | 153.6 Ų | 153.6 | 82% | 0.823 | 80% | 0.797 | S | S | * | * | trans | -106.5 | 117.3 | 178.2 | -72 | -179.7 | -178.5 | -177.1 | 0.7 | 106.6 | ||||
| 23 | T | 43.1 | Very low | 43.8 | Very low | 125 Ų | 125 | 149.5 Ų | 149.5 | 77% | 0.767 | 79% | 0.792 | S | S | * | * | trans | 166.3 | 101.2 | 131.6 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 24 | L | 39.4 | Very low | 44.1 | Very low | 162 Ų | 162 | 151.7 Ų | 151.7 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | -113.4 | 101.4 | 159.2 | -139 | 83 | 0 | 0 | 0 | 107 | I26 | L24-I26 PolarHBondContact O-N 3.02Š| ||
| 25 | Q | 44.2 | Very low | 44.7 | Very low | 185 Ų | 185 | 150.1 Ų | 150.1 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -75 | 112 | 173.5 | -72.1 | -179.6 | -30 | 0 | 0 | 108.5 | ||||
| 26 | I | 44.4 | Very low | 45.2 | Very low | 141 Ų | 141 | 151.6 Ų | 151.6 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | trans | -96.4 | 123.2 | 175 | -56.4 | 174 | 0 | 0 | 0 | 107.9 | L24 T28 | L24-I26 PolarHBondContact O-N 3.02Å; I26-T28 PolarHBondContact O-N 3.43Å | ||
| 27 | P | 48.3 | Very low | 45.5 | Very low | 104 Ų | 104 | 152.3 Ų | 152.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -73.4 | 126.2 | -173.6 | 24.5 | -29.1 | 0 | 0 | 0 | 112.3 | H29 | P27-H29 PolarHBondContact O-N 3.14Š| ||
| 28 | T | 43.1 | Very low | 45.9 | Very low | 138 Ų | 138 | 154.5 Ų | 154.5 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 96.7 | 174.6 | 49 | 0 | 0 | 0 | 0 | 110.6 | I26 | I26-T28 PolarHBondContact O-N 3.43Š| ||
| 29 | H | 48.3 | Very low | 46.6 | Very low | 150 Ų | 150 | 148.2 Ų | 148.2 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -134.8 | 91.2 | 157.6 | 70.4 | -69.2 | 0 | 0 | 0 | 110.7 | P27 F31 | P27-H29 PolarHBondContact O-N 3.14Å; H29-F31 PolarHBondContact O-N 3.27Å; H29-F31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | L | 40.7 | Very low | 47.3 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 83% | 0.827 | 77% | 0.773 | S | S | * | * | trans | 9 | 86.4 | 137.9 | -73.6 | 134.2 | 0 | 0 | 0 | 117 | ||||
| 31 | F | 46.2 | Very low | 48 | Very low | 199 Ų | 199 | 149.7 Ų | 149.7 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | trans | -142 | 76.8 | 144.4 | -96.8 | -83.5 | 0 | 0 | 0 | 107.8 | H29 N33 | H29-F31 PolarHBondContact O-N 3.27Å; H29-F31 VanDerWaalsContact O-N 3.15Å; F31-N33 PolarHBondContact O-N 3.48Å | ||
| 32 | V | 48.4 | Very low | 48.8 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -77.6 | 83.9 | 172 | -175.2 | 0 | 0 | 0 | 0 | 107.2 | K34 | V32-K34 PolarHBondContact O-N 3.03Š| ||
| 33 | N | 50.1 | Low | 49.7 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -62.6 | 121 | 163.6 | -146.7 | -4.3 | 0 | 0 | 0 | 106.3 | F31 I35 | F31-N33 PolarHBondContact O-N 3.48Å; N33-I35 PolarHBondContact O-N 3.49Å | ||
| 34 | K | 49.2 | Very low | 50.4 | Low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | -63.9 | 77.7 | 177.7 | -81.7 | -179.4 | 174.4 | 176.9 | 0 | 109.3 | V32 N36 | V32-K34 PolarHBondContact O-N 3.03Å; K34-N36 PolarHBondContact O-N 3.33Å | ||
| 35 | I | 52.6 | Low | 51.5 | Low | 134 Ų | 134 | 153 Ų | 153 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | trans | -71.9 | 115.2 | 162.8 | -63.5 | 168.6 | 0 | 0 | 0 | 104.5 | N33 V37 | N33-I35 PolarHBondContact O-N 3.49Å; I35-V37 WeakPolarHBondContact O-CG2 3.49Å; I35-V37 PolarHBondContact O-N 3.35Å | ||
| 36 | N | 49.8 | Very low | 52.3 | Low | 141 Ų | 141 | 148.3 Ų | 148.3 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | trans | -55.1 | 93.8 | 166.2 | -92.9 | -26.1 | 0 | 0 | 0 | 107.2 | K34 F38 | K34-N36 PolarHBondContact O-N 3.33Å; N36-F38 PolarHBondContact O-N 3.26Å | ||
| 37 | V | 53.6 | Low | 53.1 | Low | 127 Ų | 127 | 143.6 Ų | 143.6 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | -68.1 | 91.7 | 169.2 | -170.3 | 0 | 0 | 0 | 0 | 104.2 | I35 S39 | I35-V37 WeakPolarHBondContact O-CG2 3.49Å; I35-V37 PolarHBondContact O-N 3.35Å; V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.41Å | ||
| 38 | F | 51.8 | Low | 54.2 | Low | 175 Ų | 175 | 145.8 Ų | 145.8 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | trans | -51.5 | 105.9 | 162.4 | -87.4 | -87.9 | 0 | 0 | 0 | 105.5 | N36 T40 | N36-F38 PolarHBondContact O-N 3.26Å; F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 3.08Å | ||
| 39 | S | 54.5 | Low | 56 | Low | 82 Ų | 82 | 142 Ų | 142 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | trans | -60.2 | 94.1 | 178 | 165.5 | 0 | 0 | 0 | 0 | 107.2 | V37 Q41 | V37-S39 VanDerWaalsContact C-N 3.28Å; V37-S39 PolarHBondContact O-N 3.41Å; S39-Q41 PolarHBondContact O-N 3.42Å; S39-Q41 WeakPolarHBondContact OG-CG 3.46Å; S39-Q41 PolarHBondContact OG-N 3.19Å | ||
| 40 | T | 56.5 | Low | 57.5 | Low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -72.2 | 56.2 | 161 | 51.6 | 0 | 0 | 0 | 0 | 107.7 | F38 I42 | F38-T40 VanDerWaalsContact C-N 3.25Å; F38-T40 PolarHBondContact O-N 3.08Å; T40-I42 PolarHBondContact O-N 3.09Å | ||
| 41 | Q | 59.1 | Low | 59.7 | Low | 160 Ų | 160 | 141.6 Ų | 141.6 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | trans | -58.7 | 99.8 | 157.1 | -90.4 | 179.4 | 6.7 | 0 | 0 | 104.8 | S39 K43 | S39-Q41 PolarHBondContact O-N 3.42Å; S39-Q41 WeakPolarHBondContact OG-CG 3.46Å; S39-Q41 PolarHBondContact OG-N 3.19Å; Q41-K43 PolarHBondContact O-N 2.86Å | ||
| 42 | I | 60.3 | Low | 61.6 | Low | 150 Ų | 150 | 137.5 Ų | 137.5 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -55.6 | 96.5 | 167 | -62.4 | 167.7 | 0 | 0 | 0 | 103.6 | T40 R44 | T40-I42 PolarHBondContact O-N 3.09Å; I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 2.84Å | ||
| 43 | K | 59.8 | Low | 63.4 | Low | 170 Ų | 170 | 136.2 Ų | 136.2 | 74% | 0.739 | 69% | 0.689 | S | S | * | * | trans | -52 | 106.1 | 168.8 | -80 | -176.6 | 177.6 | 179.9 | 0 | 103.9 | Q41 F45 | Q41-K43 PolarHBondContact O-N 2.86Å; K43-F45 VanDerWaalsContact O-CD2 3.25Å; K43-F45 WeakPolarHBondContact O-CD2 3.24Å; K43-F45 PolarHBondContact O-N 2.85Å | ||
| 44 | R | 58.1 | Low | 65.3 | Low | 233 Ų | 233 | 132.2 Ų | 132.2 | 88% | 0.879 | 67% | 0.67 | S | S | * | * | trans | -64 | 92.7 | 170.9 | -72.6 | -174.9 | 178.6 | 156.5 | -0.5 | 104.4 | I42 A46 | I42-R44 VanDerWaalsContact C-N 3.3Å; I42-R44 PolarHBondContact O-N 2.84Å; R44-A46 PolarHBondContact O-N 3.33Å | ||
| 45 | F | 61.5 | Low | 67.3 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -53 | 135.7 | -179.9 | -75.6 | -85.3 | 0 | 0 | 0 | 107.3 | K43 G47 | K43-F45 VanDerWaalsContact O-CD2 3.25Å; K43-F45 WeakPolarHBondContact O-CD2 3.24Å; K43-F45 PolarHBondContact O-N 2.85Å; F45-G47 PolarHBondContact O-N 2.95Å | ||
| 46 | A | 61.4 | Low | 69 | Low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 11.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | R44 H48 A49 | R44-A46 PolarHBondContact O-N 3.33Å; A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.28Å; A46-A49 PolarHBondContact O-N 3.39Å |
| 47 | G | 61.3 | Low | 71 | Confident | 41 Ų | 41 | 125.9 Ų | 125.9 | 42% | 0.423 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.3 | -24.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F45 A49 W51 | F45-G47 PolarHBondContact O-N 2.95Å; G47-A49 PolarHBondContact O-N 3.07Å; G47-W51 WeakPolarHBondContact O-CB 3.19Å; G47-W51 PolarHBondContact O-N 3.21Å |
| 48 | H | 72.7 | Confident | 72.9 | Confident | 150 Ų | 150 | 126 Ų | 126 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.7 | -43.9 | 177.9 | -71.9 | -63.7 | 0 | 0 | 0 | 112.4 | A46 Q52 | A46-H48 VanDerWaalsContact C-N 3.26Å; A46-H48 PolarHBondContact O-N 3.28Å; H48-Q52 VanDerWaalsContact O-CG 3.22Å; H48-Q52 WeakPolarHBondContact O-CG 3.05Å; H48-Q52 PolarHBondContact O-N 2.97Å; H48-Q52 PolarHBondContact O-OE1 3.48Å |
| 49 | A | 79.1 | Confident | 74.7 | Confident | 58 Ų | 58 | 122.1 Ų | 122.1 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -74.1 | -41.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A46 G47 Q52 N53 | A46-A49 PolarHBondContact O-N 3.39Å; G47-A49 PolarHBondContact O-N 3.07Å; A49-Q52 PolarHBondContact O-N 3.39Å; A49-N53 PolarHBondContact O-N 3.18Å |
| 50 | H | 80.2 | Confident | 76.4 | Confident | 135 Ų | 135 | 120.1 Ų | 120.1 | 63% | 0.625 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.7 | -44.4 | 178.5 | -174.6 | 66.5 | 0 | 0 | 0 | 111.6 | N53 V54 | H50-N53 PolarHBondContact O-N 3.33Å; H50-V54 WeakPolarHBondContact O-CG2 3.46Å; H50-V54 PolarHBondContact O-N 2.93Å |
| 51 | W | 87.1 | Confident | 78.1 | Confident | 166 Ų | 166 | 115.2 Ų | 115.2 | 63% | 0.629 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -64.5 | -39.8 | 178 | 176.6 | -113.1 | 0 | 0 | 0 | 112.8 | G47 N53 V54 K55 | G47-W51 WeakPolarHBondContact O-CB 3.19Å; G47-W51 PolarHBondContact O-N 3.21Å; W51-N53 VanDerWaalsContact C-N 3.34Å; W51-N53 PolarHBondContact O-N 3.29Å; W51-V54 PolarHBondContact O-N 3.16Å; W51-K55 WeakPolarHBondContact O-CB 3.43Å; W51-K55 PolarHBondContact O-N 3.49Å |
| 52 | Q | 85.5 | Confident | 79.6 | Confident | 113 Ų | 113 | 111.4 Ų | 111.4 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -59.3 | -44.3 | 175.8 | -78.6 | 172.7 | -31.9 | 0 | 0 | 111.9 | H48 A49 K55 H56 | H48-Q52 VanDerWaalsContact O-CG 3.22Å; H48-Q52 WeakPolarHBondContact O-CG 3.05Å; H48-Q52 PolarHBondContact O-N 2.97Å; H48-Q52 PolarHBondContact O-OE1 3.48Å; A49-Q52 PolarHBondContact O-N 3.39Å; Q52-K55 WeakPolarHBondContact O-CB 3.46Å; Q52-K55 PolarHBondContact O-N 3.41Å; Q52-H56 PolarHBondContact O-CD2 3.06Å; Q52-H56 PolarHBondContact O-N 3.43Å |
| 53 | N | 87.8 | Confident | 81 | Confident | 104 Ų | 104 | 111 Ų | 111 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.8 | -47 | 177.4 | -72.3 | -5.5 | 0 | 0 | 0 | 111.9 | A49 H50 W51 K55 H56 I57 | A49-N53 PolarHBondContact O-N 3.18Å; H50-N53 PolarHBondContact O-N 3.33Å; W51-N53 VanDerWaalsContact C-N 3.34Å; W51-N53 PolarHBondContact O-N 3.29Å; N53-K55 VanDerWaalsContact C-N 3.27Å; N53-K55 PolarHBondContact O-N 2.85Å; N53-H56 PolarHBondContact O-N 2.77Å; N53-I57 WeakPolarHBondContact O-CD1 3.43Å; N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.48Å; N53-I57 PolarHBondContact O-N 3.38Å |
| 54 | V | 89.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 108.6 Ų | 108.6 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -59.8 | -40.4 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111 | H50 W51 K58 | H50-V54 WeakPolarHBondContact O-CG2 3.46Å; H50-V54 PolarHBondContact O-N 2.93Å; W51-V54 PolarHBondContact O-N 3.16Å; V54-K58 WeakPolarHBondContact O-CB 3.31Å; V54-K58 PolarHBondContact O-N 2.98Å |
| 55 | K | 91.2 | Very high | 83.9 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 41% | 0.409 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.4 | -52.9 | 176.2 | 177.3 | -177.5 | 172.5 | -175.7 | 0 | 111.1 | W51 Q52 N53 I57 K58 E59 | W51-K55 WeakPolarHBondContact O-CB 3.43Å; W51-K55 PolarHBondContact O-N 3.49Å; Q52-K55 WeakPolarHBondContact O-CB 3.46Å; Q52-K55 PolarHBondContact O-N 3.41Å; N53-K55 VanDerWaalsContact C-N 3.27Å; N53-K55 PolarHBondContact O-N 2.85Å; K55-I57 PolarHBondContact O-N 3.47Å; K55-K58 PolarHBondContact O-N 3.22Å; K55-E59 WeakPolarHBondContact CE-OE1 3.4Å; K55-E59 HydrophobicContact CG-CG 4.21Å; K55-E59 IonicContact NZ-OE1 3.75Å; K55-E59 VanDerWaalsContact O-CB 3.29Å; K55-E59 WeakPolarHBondContact O-CB 3.35Å; K55-E59 VanDerWaalsContact O-CG 3.22Å; K55-E59 WeakPolarHBondContact O-CG 3.35Å; K55-E59 PolarHBondContact O-N 2.86Å |
| 56 | H | 88.8 | Confident | 85.2 | Confident | 119 Ų | 119 | 99.2 Ų | 99.2 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.3 | -41.2 | -179.1 | -73.9 | -54.6 | 0 | 0 | 0 | 113 | Q52 N53 E59 A60 | Q52-H56 PolarHBondContact O-CD2 3.06Å; Q52-H56 PolarHBondContact O-N 3.43Å; N53-H56 PolarHBondContact O-N 2.77Å; H56-E59 IonicContact ND1-OE2 3.72Å; H56-A60 WeakPolarHBondContact O-CB 3.37Å; H56-A60 PolarHBondContact O-N 3.01Å |
| 57 | I | 91.2 | Very high | 86.6 | Confident | 126 Ų | 126 | 99.4 Ų | 99.4 | 65% | 0.646 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 177.2 | -66.2 | 165.4 | 0 | 0 | 0 | 110.4 | N53 K55 A60 G61 | N53-I57 WeakPolarHBondContact O-CD1 3.43Å; N53-I57 VanDerWaalsContact O-CG1 3.29Å; N53-I57 WeakPolarHBondContact O-CG1 3.48Å; N53-I57 PolarHBondContact O-N 3.38Å; K55-I57 PolarHBondContact O-N 3.47Å; I57-A60 PolarHBondContact O-N 2.73Å; I57-G61 PolarHBondContact O-N 2.91Å; I57-G61 VanDerWaalsContact O-N 3.13Å |
| 58 | K | 93.7 | Very high | 88 | Confident | 129 Ų | 129 | 100.2 Ų | 100.2 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 179.1 | -173.9 | 177.6 | 177.4 | -177.3 | 0 | 111.8 | V54 K55 A60 G61 D62 | V54-K58 WeakPolarHBondContact O-CB 3.31Å; V54-K58 PolarHBondContact O-N 2.98Å; K55-K58 PolarHBondContact O-N 3.22Å; K58-A60 VanDerWaalsContact C-N 3.33Å; K58-A60 PolarHBondContact O-N 2.91Å; K58-G61 PolarHBondContact O-N 2.96Å; K58-D62 WeakPolarHBondContact CG-OD2 3.39Å; K58-D62 WeakPolarHBondContact O-CB 3.5Å; K58-D62 VanDerWaalsContact O-CG 3.24Å; K58-D62 PolarHBondContact O-N 3.43Å |
| 59 | E | 90.3 | Very high | 89 | Confident | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 176.7 | -77.7 | 176.5 | 164.2 | 0 | 0 | 112.1 | K55 H56 R63 | K55-E59 WeakPolarHBondContact CE-OE1 3.4Å; K55-E59 HydrophobicContact CG-CG 4.21Å; K55-E59 IonicContact NZ-OE1 3.75Å; K55-E59 VanDerWaalsContact O-CB 3.29Å; K55-E59 WeakPolarHBondContact O-CB 3.35Å; K55-E59 VanDerWaalsContact O-CG 3.22Å; K55-E59 WeakPolarHBondContact O-CG 3.35Å; K55-E59 PolarHBondContact O-N 2.86Å; H56-E59 IonicContact ND1-OE2 3.72Å; E59-R63 VanDerWaalsContact O-CB 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.32Å; E59-R63 PolarHBondContact O-N 3.31Å |
| 60 | A | 90.4 | Very high | 89.6 | Confident | 40 Ų | 40 | 93.1 Ų | 93.1 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -49 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | H56 I57 K58 D62 R63 E64 | H56-A60 WeakPolarHBondContact O-CB 3.37Å; H56-A60 PolarHBondContact O-N 3.01Å; I57-A60 PolarHBondContact O-N 2.73Å; K58-A60 VanDerWaalsContact C-N 3.33Å; K58-A60 PolarHBondContact O-N 2.91Å; A60-D62 PolarHBondContact O-N 3.24Å; A60-R63 PolarHBondContact O-N 3.47Å; A60-E64 WeakPolarHBondContact O-CG 3.18Å; A60-E64 PolarHBondContact O-N 3.49Å; A60-E64 VanDerWaalsContact O-N 3.07Å |
| 61 | G | 91.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 93.1 Ų | 93.1 | 24% | 0.237 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.7 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I57 K58 R63 E64 K65 | I57-G61 PolarHBondContact O-N 2.91Å; I57-G61 VanDerWaalsContact O-N 3.13Å; K58-G61 PolarHBondContact O-N 2.96Å; G61-R63 VanDerWaalsContact C-N 3.35Å; G61-E64 PolarHBondContact O-N 3.41Å; G61-K65 WeakPolarHBondContact O-CG 3.36Å; G61-K65 PolarHBondContact O-N 3.14Å |
| 62 | D | 91.6 | Very high | 90.5 | Very high | 80 Ų | 80 | 85.4 Ų | 85.4 | 43% | 0.428 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68 | -36.9 | 176.8 | -72.3 | -15.9 | 0 | 0 | 0 | 111 | K58 A60 K65 A66 | K58-D62 WeakPolarHBondContact CG-OD2 3.39Å; K58-D62 WeakPolarHBondContact O-CB 3.5Å; K58-D62 VanDerWaalsContact O-CG 3.24Å; K58-D62 PolarHBondContact O-N 3.43Å; A60-D62 PolarHBondContact O-N 3.24Å; D62-K65 PolarHBondContact O-N 2.91Å; D62-A66 WeakPolarHBondContact O-CB 3.41Å; D62-A66 PolarHBondContact O-N 3.44Å |
| 63 | R | 88.2 | Confident | 90.8 | Very high | 143 Ų | 143 | 80.5 Ų | 80.5 | 54% | 0.54 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.6 | -176.7 | 177 | 65 | 94.7 | 2.5 | 112 | E59 A60 G61 A66 Q67 | E59-R63 VanDerWaalsContact O-CB 3.28Å; E59-R63 WeakPolarHBondContact O-CB 3.32Å; E59-R63 PolarHBondContact O-N 3.31Å; A60-R63 PolarHBondContact O-N 3.47Å; G61-R63 VanDerWaalsContact C-N 3.35Å; R63-A66 PolarHBondContact O-N 3.01Å; R63-Q67 WeakPolarHBondContact O-CG 3.45Å; R63-Q67 PolarHBondContact O-N 3.18Å |
| 64 | E | 89 | Confident | 90.9 | Very high | 119 Ų | 119 | 77.8 Ų | 77.8 | 56% | 0.556 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.8 | -44.1 | 177.4 | -72.9 | 173.3 | -172.8 | 0 | 0 | 111.6 | A60 G61 A66 Q67 N68 | A60-E64 WeakPolarHBondContact O-CG 3.18Å; A60-E64 PolarHBondContact O-N 3.49Å; A60-E64 VanDerWaalsContact O-N 3.07Å; G61-E64 PolarHBondContact O-N 3.41Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 2.99Å; E64-Q67 PolarHBondContact O-N 2.93Å; E64-N68 WeakPolarHBondContact O-CB 3.47Å; E64-N68 PolarHBondContact O-N 2.66Å |
| 65 | K | 90.7 | Very high | 91 | Very high | 148 Ų | 148 | 76.1 Ų | 76.1 | 64% | 0.643 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -42.7 | 174.2 | -73.4 | 174.3 | -176.6 | 174.6 | 0 | 112.1 | G61 D62 N68 A69 | G61-K65 WeakPolarHBondContact O-CG 3.36Å; G61-K65 PolarHBondContact O-N 3.14Å; D62-K65 PolarHBondContact O-N 2.91Å; K65-N68 PolarHBondContact O-N 3.03Å; K65-A69 WeakPolarHBondContact O-CB 3.49Å; K65-A69 PolarHBondContact O-N 3.28Å |
| 66 | A | 89.3 | Confident | 91.1 | Very high | 60 Ų | 60 | 71.6 Ų | 71.6 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | D62 R63 E64 A69 L70 | D62-A66 WeakPolarHBondContact O-CB 3.41Å; D62-A66 PolarHBondContact O-N 3.44Å; R63-A66 PolarHBondContact O-N 3.01Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 2.99Å; A66-A69 PolarHBondContact O-N 3.43Å; A66-L70 WeakPolarHBondContact O-CB 3.46Å; A66-L70 PolarHBondContact O-N 2.98Å |
| 67 | Q | 89.6 | Confident | 91.1 | Very high | 91 Ų | 91 | 67.4 Ų | 67.4 | 43% | 0.425 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.2 | -74.5 | 176.3 | -29.8 | 0 | 0 | 111.8 | R63 E64 L70 Y71 | R63-Q67 WeakPolarHBondContact O-CG 3.45Å; R63-Q67 PolarHBondContact O-N 3.18Å; E64-Q67 PolarHBondContact O-N 2.93Å; Q67-L70 PolarHBondContact O-N 2.8Å; Q67-Y71 PolarHBondContact O-N 3.19Å |
| 68 | N | 91.9 | Very high | 91 | Very high | 59 Ų | 59 | 68 Ų | 68 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.4 | -44.2 | 176.7 | -170.2 | 45.9 | 0 | 0 | 0 | 111.6 | E64 K65 L70 Y71 Y72 | E64-N68 WeakPolarHBondContact O-CB 3.47Å; E64-N68 PolarHBondContact O-N 2.66Å; K65-N68 PolarHBondContact O-N 3.03Å; N68-L70 VanDerWaalsContact C-N 3.34Å; N68-L70 PolarHBondContact O-N 3.31Å; N68-Y71 WeakPolarHBondContact O-CB 3.39Å; N68-Y71 PolarHBondContact O-N 3.48Å; N68-Y72 VanDerWaalsContact O-CD2 3.29Å; N68-Y72 WeakPolarHBondContact O-CD2 3.4Å; N68-Y72 PolarHBondContact O-N 3.23Å; N68-Y72 WeakPolarHBondContact OD1-CE2 3.33Å |
| 69 | A | 92.7 | Very high | 90.9 | Very high | 20 Ų | 20 | 62 Ų | 62 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K65 A66 Y72 V73 T111 | K65-A69 WeakPolarHBondContact O-CB 3.49Å; K65-A69 PolarHBondContact O-N 3.28Å; A66-A69 PolarHBondContact O-N 3.43Å; A69-Y72 PolarHBondContact O-N 3.44Å; A69-V73 WeakPolarHBondContact O-CG2 3.49Å; A69-V73 PolarHBondContact O-N 3.43Å; A69-T111 HydrophobicContact CB-CG2 4.37Å |
| 70 | L | 91.8 | Very high | 90.9 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 20% | 0.204 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.7 | 179.2 | 65.2 | 0 | 0 | 0 | 112.4 | A66 Q67 N68 Y72 V73 K74 T275 E277 | A66-L70 WeakPolarHBondContact O-CB 3.46Å; A66-L70 PolarHBondContact O-N 2.98Å; Q67-L70 PolarHBondContact O-N 2.8Å; N68-L70 VanDerWaalsContact C-N 3.34Å; N68-L70 PolarHBondContact O-N 3.31Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.21Å; L70-V73 WeakPolarHBondContact O-CB 3.37Å; L70-V73 PolarHBondContact O-N 2.86Å; L70-K74 PolarHBondContact O-N 2.94Å; L70-T275 WeakPolarHBondContact CD2-O 3.49Å; L70-E277 HydrophobicContact CD1-CB 4.28Å; L70-E277 HydrophobicContact CD1-CG 4.48Å |
| 71 | Y | 92.6 | Very high | 90.6 | Very high | 135 Ų | 135 | 61 Ų | 61 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -55.1 | -48.7 | 175.4 | 170.9 | -94.8 | 0 | 0 | 0 | 111.1 | Q67 N68 V73 K74 A75 | Q67-Y71 PolarHBondContact O-N 3.19Å; N68-Y71 WeakPolarHBondContact O-CB 3.39Å; N68-Y71 PolarHBondContact O-N 3.48Å; Y71-V73 PolarHBondContact O-N 2.88Å; Y71-K74 PolarHBondContact O-N 2.95Å; Y71-A75 WeakPolarHBondContact O-CB 3.34Å; Y71-A75 PolarHBondContact O-N 2.82Å |
| 72 | Y | 94.3 | Very high | 90.3 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -69.9 | -31.7 | 179.2 | -77 | -69.5 | 0 | 0 | 0 | 113.5 | N68 A69 L70 K74 A75 V76 V98 E101 A102 K105 V107 | N68-Y72 VanDerWaalsContact O-CD2 3.29Å; N68-Y72 WeakPolarHBondContact O-CD2 3.4Å; N68-Y72 PolarHBondContact O-N 3.23Å; N68-Y72 WeakPolarHBondContact OD1-CE2 3.33Å; A69-Y72 PolarHBondContact O-N 3.44Å; L70-Y72 VanDerWaalsContact C-N 3.32Å; L70-Y72 PolarHBondContact O-N 3.21Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.36Å; Y72-A75 PolarHBondContact O-N 2.87Å; Y72-V76 WeakPolarHBondContact O-CB 3.02Å; Y72-V76 WeakPolarHBondContact O-CG2 3.4Å; Y72-V76 PolarHBondContact O-N 2.84Å; Y72-V98 HydrophobicContact CD1-CG1 4.44Å; Y72-E101 HydrophobicContact CE1-CB 4.12Å; Y72-E101 HydrophobicContact CE1-CG 4.05Å; Y72-E101 PolarHBondContact OH-OE1 3.15Å; Y72-A102 HydrophobicContact CD1-CB 3.46Å; Y72-A102 VanDerWaalsContact CD1-CB 3.46Å; Y72-A102 HydrophobicContact CD2-CB 4.33Å; Y72-A102 HydrophobicContact CE1-CB 4Å; Y72-A102 HydrophobicContact CG-CB 3.67Å; Y72-K105 HydrophobicContact CE2-CB 3.74Å; Y72-K105 HydrophobicContact CE2-CG 3.79Å; Y72-K105 WeakPolarHBondContact OH-CG 3.5Å; Y72-V107 HydrophobicContact CD2-CG2 3.47Å; Y72-V107 VanDerWaalsContact CD2-CG2 3.47Å; Y72-V107 HydrophobicContact CE2-CG2 4.08Å; Y72-V107 HydrophobicContact CG-CG2 4.15Å |
| 73 | V | 92.2 | Very high | 90 | Very high | 9 Ų | 9 | 62 Ų | 62 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.8 | -48 | 170.1 | 166.9 | 0 | 0 | 0 | 0 | 110.5 | A69 L70 Y71 V76 Q77 T111 L112 Q115 E277 | A69-V73 WeakPolarHBondContact O-CG2 3.49Å; A69-V73 PolarHBondContact O-N 3.43Å; L70-V73 WeakPolarHBondContact O-CB 3.37Å; L70-V73 PolarHBondContact O-N 2.86Å; Y71-V73 PolarHBondContact O-N 2.88Å; V73-V76 PolarHBondContact O-N 3.25Å; V73-Q77 WeakPolarHBondContact O-CG 3.28Å; V73-Q77 PolarHBondContact O-N 2.95Å; V73-T111 HydrophobicContact CG2-CG2 3.86Å; V73-L112 HydrophobicContact CG2-CD2 4.02Å; V73-Q115 HydrophobicContact CG1-CG 3.98Å; V73-E277 HydrophobicContact CG1-CG 4.26Å |
| 74 | K | 89.6 | Confident | 89.7 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 178 | -67.8 | -170.6 | 175.3 | -160.1 | 0 | 112.7 | L70 Y71 Y72 V76 Q77 R78 K274 L276 E277 V279 | L70-K74 PolarHBondContact O-N 2.94Å; Y71-K74 PolarHBondContact O-N 2.95Å; Y72-K74 VanDerWaalsContact C-N 3.33Å; Y72-K74 PolarHBondContact O-N 3.36Å; K74-V76 VanDerWaalsContact C-N 3.34Å; K74-Q77 PolarHBondContact O-N 2.82Å; K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 PolarHBondContact O-N 2.88Å; K74-K274 PolarHBondContact NZ-O 3.4Å; K74-L276 WeakPolarHBondContact CE-O 3.49Å; K74-L276 PolarHBondContact NZ-O 3.12Å; K74-E277 WeakPolarHBondContact CE-O 3.46Å; K74-V279 PolarHBondContact NZ-O 3.43Å |
| 75 | A | 92 | Very high | 89.5 | Confident | 19 Ų | 19 | 53.5 Ų | 53.5 | 16% | 0.157 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y71 Y72 R78 A79 V98 | Y71-A75 WeakPolarHBondContact O-CB 3.34Å; Y71-A75 PolarHBondContact O-N 2.82Å; Y72-A75 PolarHBondContact O-N 2.87Å; A75-R78 PolarHBondContact O-N 3.02Å; A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 2.6Å; A75-V98 HydrophobicContact CB-CG1 3.66Å |
| 76 | V | 92.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.6 | 165.3 | 0 | 0 | 0 | 0 | 110.9 | Y72 V73 K74 R78 A79 I80 L95 V98 L99 L112 Q115 L116 | Y72-V76 WeakPolarHBondContact O-CB 3.02Å; Y72-V76 WeakPolarHBondContact O-CG2 3.4Å; Y72-V76 PolarHBondContact O-N 2.84Å; V73-V76 PolarHBondContact O-N 3.25Å; K74-V76 VanDerWaalsContact C-N 3.34Å; V76-R78 VanDerWaalsContact C-N 3.3Å; V76-R78 PolarHBondContact O-N 2.91Å; V76-A79 PolarHBondContact O-N 3.01Å; V76-I80 HydrophobicContact CG1-CD1 3.75Å; V76-I80 HydrophobicContact CG1-CG1 4.43Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.42Å; V76-I80 PolarHBondContact O-N 3.42Å; V76-L95 HydrophobicContact CB-CD1 4.39Å; V76-L95 HydrophobicContact CG1-CD1 3.82Å; V76-L95 HydrophobicContact CG2-CD1 4.3Å; V76-V98 HydrophobicContact CG2-CG1 3.79Å; V76-L99 HydrophobicContact CG2-CD2 4Å; V76-L112 HydrophobicContact CG2-CD1 4.4Å; V76-L112 HydrophobicContact CG2-CD2 4.18Å; V76-Q115 HydrophobicContact CG1-CB 3.75Å; V76-Q115 HydrophobicContact CG1-CG 4.46Å; V76-L116 HydrophobicContact CG1-CD2 4.35Å |
| 77 | Q | 89.1 | Confident | 89.3 | Confident | 30 Ų | 30 | 49.2 Ų | 49.2 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.9 | -42.5 | 176.8 | -72.7 | 171.2 | -21.2 | 0 | 0 | 112.1 | V73 K74 R81 Q115 | V73-Q77 WeakPolarHBondContact O-CG 3.28Å; V73-Q77 PolarHBondContact O-N 2.95Å; K74-Q77 PolarHBondContact O-N 2.82Å; Q77-R81 PolarHBondContact O-N 2.73Å; Q77-R81 VanDerWaalsContact O-N 3.15Å; Q77-Q115 HydrophobicContact CG-CG 4.17Å; Q77-Q115 VanDerWaalsContact NE2-CD 3.28Å |
| 78 | R | 88.4 | Confident | 89.3 | Confident | 138 Ų | 138 | 48 Ų | 48 | 52% | 0.521 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 175.8 | -176.2 | -175.7 | -62 | -109.4 | -1.3 | 111.8 | K74 A75 V76 I80 R81 E82 | K74-R78 WeakPolarHBondContact O-CB 3.47Å; K74-R78 PolarHBondContact O-N 2.88Å; A75-R78 PolarHBondContact O-N 3.02Å; V76-R78 VanDerWaalsContact C-N 3.3Å; V76-R78 PolarHBondContact O-N 2.91Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.23Å; R78-R81 WeakPolarHBondContact O-CB 3.34Å; R78-R81 PolarHBondContact O-N 2.95Å; R78-R81 VanDerWaalsContact O-N 3.15Å; R78-E82 WeakPolarHBondContact CD-OE1 3.32Å; R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 VanDerWaalsContact CG-OE1 3.27Å; R78-E82 WeakPolarHBondContact CG-OE1 3.36Å; R78-E82 WeakPolarHBondContact O-CG 3.25Å; R78-E82 PolarHBondContact O-N 2.84Å |
| 79 | A | 91.2 | Very high | 89.3 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64 | -36.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | A75 V76 R81 G83 N92 K94 L95 V98 | A75-A79 WeakPolarHBondContact O-CB 3.32Å; A75-A79 PolarHBondContact O-N 2.6Å; V76-A79 PolarHBondContact O-N 3.01Å; A79-R81 VanDerWaalsContact C-N 3.35Å; A79-G83 PolarHBondContact O-N 2.83Å; A79-G83 VanDerWaalsContact O-N 3.08Å; A79-N92 PolarHBondContact O-ND2 3.45Å; A79-K94 HydrophobicContact CB-CB 4.29Å; A79-L95 HydrophobicContact CB-CB 4.25Å; A79-L95 HydrophobicContact CB-CD1 4.47Å; A79-V98 HydrophobicContact CB-CG2 4.1Å |
| 80 | I | 90.1 | Very high | 89.3 | Confident | 13 Ų | 13 | 55.7 Ų | 55.7 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.7 | -46.8 | 172.7 | -69.1 | 165.2 | 0 | 0 | 0 | 110 | V76 R78 G83 G85 R87 L95 L116 | V76-I80 HydrophobicContact CG1-CD1 3.75Å; V76-I80 HydrophobicContact CG1-CG1 4.43Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.42Å; V76-I80 PolarHBondContact O-N 3.42Å; R78-I80 VanDerWaalsContact C-N 3.33Å; R78-I80 PolarHBondContact O-N 3.23Å; I80-G83 CarbonylContact O-C 3.54Å; I80-G83 PolarHBondContact O-N 2.89Å; I80-G85 WeakPolarHBondContact O-CA 3.42Å; I80-G85 PolarHBondContact O-N 2.85Å; I80-R87 HydrophobicContact CD1-CG 3.98Å; I80-R87 HydrophobicContact CG1-CG 4.02Å; I80-R87 HydrophobicContact CG2-CG 3.68Å; I80-L95 HydrophobicContact CG1-CD1 4.13Å; I80-L95 HydrophobicContact CG1-CD2 4.03Å; I80-L116 HydrophobicContact CD1-CD2 4.45Å |
| 81 | R | 85.1 | Confident | 89.3 | Confident | 100 Ų | 100 | 61.2 Ų | 61.2 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -48.7 | 179.8 | -169.3 | -172.6 | -56.8 | 139.3 | -0.4 | 112.1 | Q77 R78 A79 G83 G84 D280 | Q77-R81 PolarHBondContact O-N 2.73Å; Q77-R81 VanDerWaalsContact O-N 3.15Å; R78-R81 WeakPolarHBondContact O-CB 3.34Å; R78-R81 PolarHBondContact O-N 2.95Å; R78-R81 VanDerWaalsContact O-N 3.15Å; A79-R81 VanDerWaalsContact C-N 3.35Å; R81-G83 PolarHBondContact O-N 2.86Å; R81-G84 PolarHBondContact O-N 2.82Å; R81-D280 IonicContact CZ-OD1 3.11Å; R81-D280 IonicContact NH1-OD1 3.88Å; R81-D280 IonicContact NH2-OD1 2.76Å; R81-D280 PolarHBondContact NH2-OD1 3.28Å; R81-D280 IonicContact NH2-OD2 2.7Å |
| 82 | E | 85.4 | Confident | 89.4 | Confident | 101 Ų | 101 | 55.1 Ų | 55.1 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.5 | -20.4 | 178.2 | -70 | 178.9 | -160.6 | 0 | 0 | 113.3 | R78 G84 K94 | R78-E82 WeakPolarHBondContact CD-OE1 3.32Å; R78-E82 HydrophobicContact CG-CG 4.43Å; R78-E82 VanDerWaalsContact CG-OE1 3.27Å; R78-E82 WeakPolarHBondContact CG-OE1 3.36Å; R78-E82 WeakPolarHBondContact O-CG 3.25Å; R78-E82 PolarHBondContact O-N 2.84Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-K94 HydrophobicContact CB-CD 4.03Å; E82-K94 WeakPolarHBondContact OE2-CD 3.49Å; E82-K94 IonicContact OE2-NZ 3.68Å; E82-K94 PolarHBondContact OE2-NZ 3.43Å |
| 83 | G | 84.6 | Confident | 89.4 | Confident | 21 Ų | 21 | 59.6 Ų | 59.6 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 18.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | A79 I80 R81 G85 I86 | A79-G83 PolarHBondContact O-N 2.83Å; A79-G83 VanDerWaalsContact O-N 3.08Å; I80-G83 CarbonylContact O-C 3.54Å; I80-G83 PolarHBondContact O-N 2.89Å; R81-G83 PolarHBondContact O-N 2.86Å; G83-G85 PolarHBondContact O-N 3.34Å; G83-I86 WeakPolarHBondContact O-CB 3.47Å; G83-I86 WeakPolarHBondContact O-CG1 3.49Å; G83-I86 PolarHBondContact O-N 2.95Å |
| 84 | G | 82.8 | Confident | 89.4 | Confident | 66 Ų | 66 | 64 Ų | 64 | 68% | 0.68 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 34.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R81 E82 I86 | R81-G84 PolarHBondContact O-N 2.82Å; E82-G84 VanDerWaalsContact C-N 3.34Å; G84-I86 PolarHBondContact O-N 2.86Å |
| 85 | G | 84 | Confident | 89.7 | Confident | 19 Ų | 19 | 61.7 Ų | 61.7 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -1.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | I80 G83 R87 | I80-G85 WeakPolarHBondContact O-CA 3.42Å; I80-G85 PolarHBondContact O-N 2.85Å; G83-G85 PolarHBondContact O-N 3.34Å; G85-R87 WeakPolarHBondContact O-CG 3.42Å; G85-R87 PolarHBondContact O-N 2.81Å |
| 86 | I | 87 | Confident | 89.8 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -70.8 | 118.1 | 179.8 | -60.2 | 173.9 | 0 | 0 | 0 | 110.5 | G83 G84 K91 N92 | G83-I86 WeakPolarHBondContact O-CB 3.47Å; G83-I86 WeakPolarHBondContact O-CG1 3.49Å; G83-I86 PolarHBondContact O-N 2.95Å; G84-I86 PolarHBondContact O-N 2.86Å; I86-K91 HydrophobicContact CG2-CB 3.52Å; I86-K91 HydrophobicContact CG2-CD 4.41Å; I86-N92 HydrophobicContact CB-CB 4.33Å; I86-N92 HydrophobicContact CG2-CB 4.12Å; I86-N92 WeakPolarHBondContact O-CB 2.74Å; I86-N92 PolarHBondContact O-ND2 3.5Å | ||
| 87 | R | 88.7 | Confident | 90 | Very high | 46 Ų | 46 | 65.5 Ų | 65.5 | 17% | 0.174 | 35% | 0.352 | C | S | . | . | trans | -102.1 | -7.5 | -177.5 | -59.9 | -174.3 | -172.7 | 161.2 | -1.8 | 115.4 | I80 G85 P89 L95 L116 T118 D119 | I80-R87 HydrophobicContact CD1-CG 3.98Å; I80-R87 HydrophobicContact CG1-CG 4.02Å; I80-R87 HydrophobicContact CG2-CG 3.68Å; G85-R87 WeakPolarHBondContact O-CG 3.42Å; G85-R87 PolarHBondContact O-N 2.81Å; R87-P89 VanDerWaalsContact O-CD 3.25Å; R87-P89 WeakPolarHBondContact O-CD 3.36Å; R87-L95 WeakPolarHBondContact O-CD2 3.45Å; R87-L116 WeakPolarHBondContact CD-O 3.27Å; R87-T118 PolarHBondContact NH1-O 2.88Å; R87-T118 PolarHBondContact NH2-O 3.07Å; R87-D119 VanDerWaalsContact NH1-N 3.12Å; R87-D119 IonicContact NH1-OD1 3.58Å | ||
| 88 | D | 90.5 | Very high | 90.3 | Very high | 65 Ų | 65 | 65.2 Ų | 65.2 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | trans | -75.5 | 115.4 | 172.2 | -177 | -5.7 | 0 | 0 | 0 | 108.7 | K90 K91 N92 | D88-K90 PolarHBondContact O-N 3.36Å; D88-K90 VanDerWaalsContact O-N 3.1Å; D88-K90 WeakPolarHBondContact OD1-CB 2.97Å; D88-K90 PolarHBondContact OD1-N 3.49Å; D88-K91 HydrophobicContact CB-CB 4.36Å; D88-K91 HydrophobicContact CB-CD 4.37Å; D88-K91 HydrophobicContact CB-CG 4.32Å; D88-K91 PolarHBondContact O-N 3.32Å; D88-N92 PolarHBondContact O-N 2.92Å | ||
| 89 | P | 91.8 | Very high | 90.7 | Very high | 47 Ų | 47 | 60 Ų | 60 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.9 | 178.7 | -21.9 | 34.7 | 0 | 0 | 0 | 113.1 | R87 K91 L95 A96 L99 | R87-P89 VanDerWaalsContact O-CD 3.25Å; R87-P89 WeakPolarHBondContact O-CD 3.36Å; P89-K91 VanDerWaalsContact C-N 3.27Å; P89-K91 PolarHBondContact O-N 3.08Å; P89-L95 HydrophobicContact CG-CD2 4.29Å; P89-L95 HydrophobicContact CG-CG 4.46Å; P89-A96 HydrophobicContact CB-CB 4.11Å; P89-A96 WeakPolarHBondContact O-CB 3.46Å; P89-L99 HydrophobicContact CB-CD1 4.06Å; P89-L99 HydrophobicContact CG-CD1 3.49Å; P89-L99 VanDerWaalsContact CG-CD1 3.49Å |
| 90 | K | 92.7 | Very high | 90.9 | Very high | 194 Ų | 194 | 62.8 Ų | 62.8 | 84% | 0.843 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -25.9 | 175.8 | -63.9 | 179.8 | 178.2 | 178.3 | 0 | 112.7 | D88 | D88-K90 PolarHBondContact O-N 3.36Å; D88-K90 VanDerWaalsContact O-N 3.1Å; D88-K90 WeakPolarHBondContact OD1-CB 2.97Å; D88-K90 PolarHBondContact OD1-N 3.49Å |
| 91 | K | 91.8 | Very high | 91.1 | Very high | 156 Ų | 156 | 66 Ų | 66 | 68% | 0.678 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -22.6 | -178.6 | -63.7 | -177.5 | -175.6 | -179 | 0 | 112.5 | I86 D88 P89 | I86-K91 HydrophobicContact CG2-CB 3.52Å; I86-K91 HydrophobicContact CG2-CD 4.41Å; D88-K91 HydrophobicContact CB-CB 4.36Å; D88-K91 HydrophobicContact CB-CD 4.37Å; D88-K91 HydrophobicContact CB-CG 4.32Å; D88-K91 PolarHBondContact O-N 3.32Å; P89-K91 VanDerWaalsContact C-N 3.27Å; P89-K91 PolarHBondContact O-N 3.08Å |
| 92 | N | 93.6 | Very high | 91.6 | Very high | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | trans | -114.9 | 99.3 | 177.5 | -177.4 | -14.5 | 0 | 0 | 0 | 110.6 | A79 I86 D88 K94 L95 A96 | A79-N92 PolarHBondContact O-ND2 3.45Å; I86-N92 HydrophobicContact CB-CB 4.33Å; I86-N92 HydrophobicContact CG2-CB 4.12Å; I86-N92 WeakPolarHBondContact O-CB 2.74Å; I86-N92 PolarHBondContact O-ND2 3.5Å; D88-N92 PolarHBondContact O-N 2.92Å; N92-K94 VanDerWaalsContact C-N 3.34Å; N92-K94 PolarHBondContact O-N 3.48Å; N92-K94 PolarHBondContact OD1-N 2.78Å; N92-L95 HydrophobicContact CB-CB 3.89Å; N92-L95 VanDerWaalsContact CG-CB 3.48Å; N92-L95 PolarHBondContact O-N 3Å; N92-L95 PolarHBondContact OD1-N 2.91Å; N92-A96 PolarHBondContact O-N 2.93Å | ||
| 93 | S | 93.9 | Very high | 92 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 68% | 0.678 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.8 | -35.4 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 113.2 | A96 A97 | S93-A96 PolarHBondContact O-N 2.79Å; S93-A97 PolarHBondContact O-N 3.42Å |
| 94 | K | 93.3 | Very high | 92.5 | Very high | 102 Ų | 102 | 67.7 Ų | 67.7 | 44% | 0.443 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 175.7 | -66.7 | -177.7 | 173.5 | -175 | 0 | 111 | A79 E82 N92 A96 A97 V98 | A79-K94 HydrophobicContact CB-CB 4.29Å; E82-K94 HydrophobicContact CB-CD 4.03Å; E82-K94 WeakPolarHBondContact OE2-CD 3.49Å; E82-K94 IonicContact OE2-NZ 3.68Å; E82-K94 PolarHBondContact OE2-NZ 3.43Å; N92-K94 VanDerWaalsContact C-N 3.34Å; N92-K94 PolarHBondContact O-N 3.48Å; N92-K94 PolarHBondContact OD1-N 2.78Å; K94-A96 PolarHBondContact O-N 2.84Å; K94-A97 PolarHBondContact O-N 3.33Å; K94-V98 WeakPolarHBondContact O-CG2 3.28Å; K94-V98 PolarHBondContact O-N 2.73Å |
| 95 | L | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.1 | 176.6 | 60.1 | 0 | 0 | 0 | 111.6 | V76 A79 I80 R87 P89 N92 A97 V98 L99 L116 | V76-L95 HydrophobicContact CB-CD1 4.39Å; V76-L95 HydrophobicContact CG1-CD1 3.82Å; V76-L95 HydrophobicContact CG2-CD1 4.3Å; A79-L95 HydrophobicContact CB-CB 4.25Å; A79-L95 HydrophobicContact CB-CD1 4.47Å; I80-L95 HydrophobicContact CG1-CD1 4.13Å; I80-L95 HydrophobicContact CG1-CD2 4.03Å; R87-L95 WeakPolarHBondContact O-CD2 3.45Å; P89-L95 HydrophobicContact CG-CD2 4.29Å; P89-L95 HydrophobicContact CG-CG 4.46Å; N92-L95 HydrophobicContact CB-CB 3.89Å; N92-L95 VanDerWaalsContact CG-CB 3.48Å; N92-L95 PolarHBondContact O-N 3Å; N92-L95 PolarHBondContact OD1-N 2.91Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 3.21Å; L95-V98 PolarHBondContact O-N 3.47Å; L95-L99 HydrophobicContact CD1-CD1 4.12Å; L95-L99 HydrophobicContact CD1-CG 4.08Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.43Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.21Å; L95-L116 HydrophobicContact CD1-CD2 4.18Å; L95-L116 HydrophobicContact CD2-CD2 3.95Å |
| 96 | A | 95.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 73.4 Ų | 73.4 | 31% | 0.306 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P89 N92 S93 K94 L99 A100 | P89-A96 HydrophobicContact CB-CB 4.11Å; P89-A96 WeakPolarHBondContact O-CB 3.46Å; N92-A96 PolarHBondContact O-N 2.93Å; S93-A96 PolarHBondContact O-N 2.79Å; K94-A96 PolarHBondContact O-N 2.84Å; A96-L99 PolarHBondContact O-N 3.29Å; A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.04Å |
| 97 | A | 96 | Very high | 93.6 | Very high | 62 Ų | 62 | 70.7 Ų | 70.7 | 51% | 0.512 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S93 K94 L95 L99 A100 E101 | S93-A97 PolarHBondContact O-N 3.42Å; K94-A97 PolarHBondContact O-N 3.33Å; L95-A97 VanDerWaalsContact C-N 3.33Å; L95-A97 PolarHBondContact O-N 3.21Å; A97-L99 PolarHBondContact O-N 3.2Å; A97-A100 PolarHBondContact O-N 2.7Å; A97-E101 PolarHBondContact O-N 2.83Å |
| 98 | V | 96.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 71.9 Ų | 71.9 | 15% | 0.145 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 178.5 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | Y72 A75 V76 A79 K94 L95 E101 A102 | Y72-V98 HydrophobicContact CD1-CG1 4.44Å; A75-V98 HydrophobicContact CB-CG1 3.66Å; V76-V98 HydrophobicContact CG2-CG1 3.79Å; A79-V98 HydrophobicContact CB-CG2 4.1Å; K94-V98 WeakPolarHBondContact O-CG2 3.28Å; K94-V98 PolarHBondContact O-N 2.73Å; L95-V98 PolarHBondContact O-N 3.47Å; V98-E101 PolarHBondContact O-N 3.44Å; V98-A102 WeakPolarHBondContact O-CB 3.43Å; V98-A102 PolarHBondContact O-N 2.97Å |
| 99 | L | 95.5 | Very high | 93.8 | Very high | 27 Ų | 27 | 74.4 Ų | 74.4 | 14% | 0.141 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.3 | -71.6 | 173.3 | 0 | 0 | 0 | 112.2 | V76 P89 L95 A96 A97 K103 L112 | V76-L99 HydrophobicContact CG2-CD2 4Å; P89-L99 HydrophobicContact CB-CD1 4.06Å; P89-L99 HydrophobicContact CG-CD1 3.49Å; P89-L99 VanDerWaalsContact CG-CD1 3.49Å; L95-L99 HydrophobicContact CD1-CD1 4.12Å; L95-L99 HydrophobicContact CD1-CG 4.08Å; L95-L99 HydrophobicContact CG-CD1 4.04Å; L95-L99 HydrophobicContact CG-CG 4.43Å; L95-L99 WeakPolarHBondContact O-CG 3.48Å; L95-L99 PolarHBondContact O-N 3.21Å; A96-L99 PolarHBondContact O-N 3.29Å; A97-L99 PolarHBondContact O-N 3.2Å; L99-K103 WeakPolarHBondContact O-CB 3.34Å; L99-K103 PolarHBondContact O-N 2.77Å; L99-L112 HydrophobicContact CD2-CB 4.35Å; L99-L112 HydrophobicContact CD2-CD1 3.85Å |
| 100 | A | 95.4 | Very high | 93.7 | Very high | 63 Ų | 63 | 75.7 Ų | 75.7 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | A96 A97 K103 S104 | A96-A100 WeakPolarHBondContact O-CB 3.43Å; A96-A100 PolarHBondContact O-N 3.04Å; A97-A100 PolarHBondContact O-N 2.7Å; A100-K103 PolarHBondContact O-N 3.1Å; A100-S104 PolarHBondContact O-N 2.91Å |
| 101 | E | 95.5 | Very high | 93.5 | Very high | 81 Ų | 81 | 68.9 Ų | 68.9 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 176.2 | -162.2 | -162 | 143.7 | 0 | 0 | 111.5 | Y72 A97 V98 K103 S104 K105 | Y72-E101 HydrophobicContact CE1-CB 4.12Å; Y72-E101 HydrophobicContact CE1-CG 4.05Å; Y72-E101 PolarHBondContact OH-OE1 3.15Å; A97-E101 PolarHBondContact O-N 2.83Å; V98-E101 PolarHBondContact O-N 3.44Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 2.92Å; E101-S104 WeakPolarHBondContact O-CA 3.45Å; E101-S104 WeakPolarHBondContact O-CB 3.42Å; E101-S104 PolarHBondContact O-N 3.23Å; E101-S104 PolarHBondContact O-OG 3.04Å; E101-K105 PolarHBondContact O-N 3.23Å |
| 102 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.3 | -41 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y72 V98 S104 K105 A106 V107 L112 | Y72-A102 HydrophobicContact CD1-CB 3.46Å; Y72-A102 VanDerWaalsContact CD1-CB 3.46Å; Y72-A102 HydrophobicContact CD2-CB 4.33Å; Y72-A102 HydrophobicContact CE1-CB 4Å; Y72-A102 HydrophobicContact CG-CB 3.67Å; V98-A102 WeakPolarHBondContact O-CB 3.43Å; V98-A102 PolarHBondContact O-N 2.97Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.42Å; A102-K105 CarbonylContact O-C 3.55Å; A102-K105 PolarHBondContact O-N 2.88Å; A102-A106 PolarHBondContact O-N 3.06Å; A102-V107 HydrophobicContact CB-CB 4.24Å; A102-V107 WeakPolarHBondContact O-CB 3.43Å; A102-V107 PolarHBondContact O-N 3.15Å; A102-L112 HydrophobicContact CB-CD1 3.62Å |
| 103 | K | 94.4 | Very high | 93.3 | Very high | 171 Ų | 171 | 65.3 Ų | 65.3 | 74% | 0.743 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 173.6 | -173 | -179.8 | -179.7 | -179 | 0 | 111.6 | L99 A100 E101 K105 A106 | L99-K103 WeakPolarHBondContact O-CB 3.34Å; L99-K103 PolarHBondContact O-N 2.77Å; A100-K103 PolarHBondContact O-N 3.1Å; E101-K103 VanDerWaalsContact C-N 3.3Å; E101-K103 PolarHBondContact O-N 2.92Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 2.97Å; K103-A106 PolarHBondContact O-N 3.28Å; K103-A106 VanDerWaalsContact O-N 3.15Å |
| 104 | S | 94.3 | Very high | 92.9 | Very high | 86 Ų | 86 | 67.6 Ų | 67.6 | 60% | 0.601 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.9 | -30.2 | 177 | 83.3 | 0 | 0 | 0 | 0 | 112.9 | A100 E101 A102 A106 | A100-S104 PolarHBondContact O-N 2.91Å; E101-S104 WeakPolarHBondContact O-CA 3.45Å; E101-S104 WeakPolarHBondContact O-CB 3.42Å; E101-S104 PolarHBondContact O-N 3.23Å; E101-S104 PolarHBondContact O-OG 3.04Å; A102-S104 VanDerWaalsContact C-N 3.32Å; A102-S104 PolarHBondContact O-N 3.42Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 2.99Å |
| 105 | K | 93.5 | Very high | 92.5 | Very high | 119 Ų | 119 | 63.8 Ų | 63.8 | 52% | 0.517 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 17.7 | 174.5 | -60 | -54.7 | -174.9 | 169 | 0 | 114.2 | Y72 E101 A102 K103 V107 | Y72-K105 HydrophobicContact CE2-CB 3.74Å; Y72-K105 HydrophobicContact CE2-CG 3.79Å; Y72-K105 WeakPolarHBondContact OH-CG 3.5Å; E101-K105 PolarHBondContact O-N 3.23Å; A102-K105 CarbonylContact O-C 3.55Å; A102-K105 PolarHBondContact O-N 2.88Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 2.97Å; K105-V107 PolarHBondContact O-N 3.08Å |
| 106 | A | 90.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 65 Ų | 65 | 72% | 0.719 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 29.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A102 K103 S104 P108 | A102-A106 PolarHBondContact O-N 3.06Å; K103-A106 PolarHBondContact O-N 3.28Å; K103-A106 VanDerWaalsContact O-N 3.15Å; S104-A106 VanDerWaalsContact C-N 3.29Å; S104-A106 PolarHBondContact O-N 2.99Å; A106-P108 WeakPolarHBondContact O-CD 3.18Å |
| 107 | V | 92.4 | Very high | 91.6 | Very high | 13 Ų | 13 | 68.7 Ų | 68.7 | 8% | 0.079 | 38% | 0.384 | C | S | . | . | trans | -75.4 | 126.7 | 170.8 | -179 | 0 | 0 | 0 | 0 | 109.2 | Y72 A102 K105 F109 L112 | Y72-V107 HydrophobicContact CD2-CG2 3.47Å; Y72-V107 VanDerWaalsContact CD2-CG2 3.47Å; Y72-V107 HydrophobicContact CE2-CG2 4.08Å; Y72-V107 HydrophobicContact CG-CG2 4.15Å; A102-V107 HydrophobicContact CB-CB 4.24Å; A102-V107 WeakPolarHBondContact O-CB 3.43Å; A102-V107 PolarHBondContact O-N 3.15Å; K105-V107 PolarHBondContact O-N 3.08Å; V107-F109 PolarHBondContact O-N 3.47Å; V107-L112 HydrophobicContact CG1-CD1 4.3Å; V107-L112 HydrophobicContact CG1-CD2 4.26Å; V107-L112 HydrophobicContact CG1-CG 4.21Å | ||
| 108 | P | 91 | Very high | 90.6 | Very high | 71 Ų | 71 | 68 Ų | 68 | 46% | 0.461 | 37% | 0.373 | S | S | . | . | trans | -62.9 | 135.9 | 176.7 | -22.4 | 33.9 | 0 | 0 | 0 | 112 | A106 S110 T111 | A106-P108 WeakPolarHBondContact O-CD 3.18Å; P108-S110 PolarHBondContact O-N 2.96Å; P108-T111 WeakPolarHBondContact O-CB 3.37Å; P108-T111 PolarHBondContact O-N 3.1Å; P108-T111 VanDerWaalsContact O-N 3.1Å | ||
| 109 | F | 91.9 | Very high | 89.1 | Confident | 119 Ų | 119 | 73.6 Ų | 73.6 | 52% | 0.522 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59 | -34.9 | 177.5 | -178.9 | -102.5 | 0 | 0 | 0 | 112.6 | V107 T111 L112 E113 L116 | V107-F109 PolarHBondContact O-N 3.47Å; F109-T111 PolarHBondContact O-N 3.33Å; F109-T111 VanDerWaalsContact O-N 3.14Å; F109-L112 CarbonylContact O-C 3.53Å; F109-L112 PolarHBondContact O-N 3.45Å; F109-E113 HydrophobicContact CD1-CB 4.26Å; F109-E113 HydrophobicContact CE1-CB 4.01Å; F109-E113 HydrophobicContact CE1-CG 4.16Å; F109-E113 WeakPolarHBondContact O-CB 3.37Å; F109-E113 PolarHBondContact O-N 2.95Å; F109-L116 HydrophobicContact CE2-CD1 3.76Å; F109-L116 HydrophobicContact CZ-CD1 3.72Å |
| 110 | S | 91.2 | Very high | 87.7 | Confident | 74 Ų | 74 | 77 Ų | 77 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.1 | -25.5 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | P108 | P108-S110 PolarHBondContact O-N 2.96Å |
| 111 | T | 88.5 | Confident | 86.6 | Confident | 50 Ų | 50 | 80.8 Ų | 80.8 | 31% | 0.307 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -71.3 | -37 | 173.7 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | A69 V73 P108 F109 | A69-T111 HydrophobicContact CB-CG2 4.37Å; V73-T111 HydrophobicContact CG2-CG2 3.86Å; P108-T111 WeakPolarHBondContact O-CB 3.37Å; P108-T111 PolarHBondContact O-N 3.1Å; P108-T111 VanDerWaalsContact O-N 3.1Å; F109-T111 PolarHBondContact O-N 3.33Å; F109-T111 VanDerWaalsContact O-N 3.14Å |
| 112 | L | 91.1 | Very high | 86 | Confident | 4 Ų | 4 | 79.3 Ų | 79.3 | 2% | 0.021 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -88.1 | -27.6 | -176.7 | -53.9 | 178.7 | 0 | 0 | 0 | 112.4 | V73 V76 L99 A102 V107 F109 K114 Q115 L116 | V73-L112 HydrophobicContact CG2-CD2 4.02Å; V76-L112 HydrophobicContact CG2-CD1 4.4Å; V76-L112 HydrophobicContact CG2-CD2 4.18Å; L99-L112 HydrophobicContact CD2-CB 4.35Å; L99-L112 HydrophobicContact CD2-CD1 3.85Å; A102-L112 HydrophobicContact CB-CD1 3.62Å; V107-L112 HydrophobicContact CG1-CD1 4.3Å; V107-L112 HydrophobicContact CG1-CD2 4.26Å; V107-L112 HydrophobicContact CG1-CG 4.21Å; F109-L112 CarbonylContact O-C 3.53Å; F109-L112 PolarHBondContact O-N 3.45Å; L112-K114 PolarHBondContact O-N 3.04Å; L112-K114 VanDerWaalsContact O-N 3.15Å; L112-Q115 WeakPolarHBondContact O-CB 3.47Å; L112-Q115 PolarHBondContact O-N 3.28Å; L112-L116 PolarHBondContact O-N 3.35Å |
| 113 | E | 90.3 | Very high | 85.5 | Confident | 84 Ų | 84 | 86.3 Ų | 86.3 | 39% | 0.393 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -53 | -36.6 | -179.5 | -179.3 | 173 | -138.9 | 0 | 0 | 112.6 | F109 Q115 L116 N117 | F109-E113 HydrophobicContact CD1-CB 4.26Å; F109-E113 HydrophobicContact CE1-CB 4.01Å; F109-E113 HydrophobicContact CE1-CG 4.16Å; F109-E113 WeakPolarHBondContact O-CB 3.37Å; F109-E113 PolarHBondContact O-N 2.95Å; E113-Q115 PolarHBondContact O-N 2.65Å; E113-L116 PolarHBondContact O-N 3.39Å; E113-L116 VanDerWaalsContact O-N 3.11Å; E113-N117 WeakPolarHBondContact CG-ND2 3.33Å; E113-N117 PolarHBondContact O-N 3Å; E113-N117 VanDerWaalsContact O-N 3.08Å; E113-N117 PolarHBondContact O-ND2 3.46Å |
| 114 | K | 85.1 | Confident | 85.3 | Confident | 146 Ų | 146 | 80.6 Ų | 80.6 | 64% | 0.635 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -37.8 | 174.6 | -68.3 | -175.3 | 179.1 | -179.7 | 0 | 112.6 | L112 T118 | L112-K114 PolarHBondContact O-N 3.04Å; L112-K114 VanDerWaalsContact O-N 3.15Å; K114-T118 WeakPolarHBondContact O-CB 3.45Å; K114-T118 PolarHBondContact O-N 3.28Å; K114-T118 PolarHBondContact O-OG1 3.05Å |
| 115 | Q | 84.6 | Confident | 85.2 | Confident | 21 Ų | 21 | 78.4 Ų | 78.4 | 10% | 0.098 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -75.2 | -29.7 | -179.5 | -53.9 | -53.6 | -33.6 | 0 | 0 | 111.9 | V73 V76 Q77 L112 E113 E277 | V73-Q115 HydrophobicContact CG1-CG 3.98Å; V76-Q115 HydrophobicContact CG1-CB 3.75Å; V76-Q115 HydrophobicContact CG1-CG 4.46Å; Q77-Q115 HydrophobicContact CG-CG 4.17Å; Q77-Q115 VanDerWaalsContact NE2-CD 3.28Å; L112-Q115 WeakPolarHBondContact O-CB 3.47Å; L112-Q115 PolarHBondContact O-N 3.28Å; E113-Q115 PolarHBondContact O-N 2.65Å; Q115-E277 PolarHBondContact NE2-OE1 2.75Å; Q115-E277 VanDerWaalsContact NE2-OE1 3.15Å |
| 116 | L | 86.9 | Confident | 85.2 | Confident | 27 Ų | 27 | 74.9 Ų | 74.9 | 14% | 0.141 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -72.8 | -33 | 176.6 | -57.7 | 177.9 | 0 | 0 | 0 | 111.8 | V76 I80 R87 L95 F109 L112 E113 | V76-L116 HydrophobicContact CG1-CD2 4.35Å; I80-L116 HydrophobicContact CD1-CD2 4.45Å; R87-L116 WeakPolarHBondContact CD-O 3.27Å; L95-L116 HydrophobicContact CD1-CD2 4.18Å; L95-L116 HydrophobicContact CD2-CD2 3.95Å; F109-L116 HydrophobicContact CE2-CD1 3.76Å; F109-L116 HydrophobicContact CZ-CD1 3.72Å; L112-L116 PolarHBondContact O-N 3.35Å; E113-L116 PolarHBondContact O-N 3.39Å; E113-L116 VanDerWaalsContact O-N 3.11Å |
| 117 | N | 84.1 | Confident | 85.5 | Confident | 113 Ų | 113 | 70.7 Ų | 70.7 | 60% | 0.604 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -94.3 | -9.3 | -174.6 | -64.9 | -22.8 | 0 | 0 | 0 | 115 | E113 D119 | E113-N117 WeakPolarHBondContact CG-ND2 3.33Å; E113-N117 PolarHBondContact O-N 3Å; E113-N117 VanDerWaalsContact O-N 3.08Å; E113-N117 PolarHBondContact O-ND2 3.46Å; N117-D119 PolarHBondContact O-N 3.29Å |
| 118 | T | 74.4 | Confident | 85.6 | Confident | 47 Ų | 47 | 70.5 Ų | 70.5 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | trans | -81.3 | 74.8 | -171.1 | -67.7 | 0 | 0 | 0 | 0 | 112.4 | R87 K114 N120 | R87-T118 PolarHBondContact NH1-O 2.88Å; R87-T118 PolarHBondContact NH2-O 3.07Å; K114-T118 WeakPolarHBondContact O-CB 3.45Å; K114-T118 PolarHBondContact O-N 3.28Å; K114-T118 PolarHBondContact O-OG1 3.05Å; T118-N120 PolarHBondContact O-N 3.49Å | ||
| 119 | D | 66.5 | Low | 85.9 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 76% | 0.759 | 34% | 0.342 | S | S | * | . | trans | -47.6 | -21.1 | -165.5 | -115 | -1.1 | 0 | 0 | 0 | 118.9 | R87 N117 E121 | R87-D119 VanDerWaalsContact NH1-N 3.12Å; R87-D119 IonicContact NH1-OD1 3.58Å; N117-D119 PolarHBondContact O-N 3.29Å; D119-E121 PolarHBondContact O-N 3.33Å | ||
| 120 | N | 65 | Low | 86 | Confident | 99 Ų | 99 | 66.3 Ų | 66.3 | 53% | 0.529 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -87.8 | 119.2 | -173.5 | -55.9 | -10.9 | 0 | 0 | 0 | 111.2 | T118 I122 | T118-N120 PolarHBondContact O-N 3.49Å; N120-I122 PolarHBondContact O-N 3.01Å |
| 121 | E | 72.6 | Confident | 86 | Confident | 143 Ų | 143 | 63.6 Ų | 63.6 | 67% | 0.668 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 123.1 | 154.5 | -67 | -170 | 155.4 | 0 | 0 | 107.9 | D119 | D119-E121 PolarHBondContact O-N 3.33Š|
| 122 | I | 82 | Confident | 85.9 | Confident | 49 Ų | 49 | 66.4 Ų | 66.4 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -103.7 | 117.9 | 178.4 | -60.3 | 159.6 | 0 | 0 | 0 | 106.1 | N120 R142 K144 | N120-I122 PolarHBondContact O-N 3.01Å; I122-R142 HydrophobicContact CB-CB 4.44Å; I122-R142 WeakPolarHBondContact CD1-O 3.36Å; I122-R142 HydrophobicContact CG2-CB 4.38Å; I122-K144 HydrophobicContact CD1-CB 4.41Å; I122-K144 HydrophobicContact CD1-CD 4.32Å; I122-K144 HydrophobicContact CD1-CG 3.32Å; I122-K144 HydrophobicContact CG1-CG 4.02Å |
| 123 | E | 85.2 | Confident | 85.8 | Confident | 147 Ų | 147 | 69.4 Ų | 69.4 | 69% | 0.687 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 137.6 | 173.9 | -69.9 | -58.2 | 148.8 | 0 | 0 | 110.6 | ||
| 124 | P | 89.8 | Confident | 85.8 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 34% | 0.338 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 142.7 | 173.4 | 26.9 | -31 | 0 | 0 | 0 | 110.6 | E140 S141 R142 | P124-E140 HydrophobicContact CB-CG 3.87Å; P124-S141 WeakPolarHBondContact CA-O 3.48Å; P124-R142 HydrophobicContact CB-CG 3.97Å |
| 125 | Y | 92.1 | Very high | 86.2 | Confident | 39 Ų | 39 | 60.7 Ų | 60.7 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 158.6 | 165.3 | 69.4 | -84.9 | 0 | 0 | 0 | 108.9 | I127 S141 A143 V146 E149 | Y125-I127 HydrophobicContact CD2-CG1 4.11Å; Y125-I127 HydrophobicContact CE2-CD1 3.82Å; Y125-I127 HydrophobicContact CE2-CG1 3.53Å; Y125-S141 WeakPolarHBondContact CD1-O 3.45Å; Y125-S141 WeakPolarHBondContact CE1-O 3.43Å; Y125-S141 PolarHBondContact N-O 3.44Å; Y125-S141 PolarHBondContact O-N 3.4Å; Y125-S141 PolarHBondContact OH-OG 2.92Å; Y125-A143 HydrophobicContact CE1-CB 4.19Å; Y125-V146 HydrophobicContact CD1-CG2 3.9Å; Y125-V146 HydrophobicContact CD2-CG1 3.89Å; Y125-V146 HydrophobicContact CD2-CG2 4.46Å; Y125-V146 HydrophobicContact CE1-CB 4.45Å; Y125-V146 HydrophobicContact CE1-CG1 4.49Å; Y125-V146 HydrophobicContact CE1-CG2 3.72Å; Y125-V146 HydrophobicContact CE2-CB 4.33Å; Y125-V146 HydrophobicContact CE2-CG1 3.57Å; Y125-V146 HydrophobicContact CE2-CG2 4.3Å; Y125-V146 HydrophobicContact CG-CG1 4.48Å; Y125-V146 HydrophobicContact CG-CG2 4.28Å; Y125-E149 VanDerWaalsContact OH-CB 3.32Å; Y125-E149 WeakPolarHBondContact OH-CB 3.42Å; Y125-E149 WeakPolarHBondContact OH-CG 3.28Å |
| 126 | I | 94.6 | Very high | 86.7 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 23% | 0.231 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 141.7 | 178.7 | 57.7 | 173.2 | 0 | 0 | 0 | 111.3 | E128 I138 V139 A171 Y250 | I126-E128 HydrophobicContact CD1-CG 4.26Å; I126-I138 HydrophobicContact CB-CG2 4Å; I126-I138 HydrophobicContact CG2-CG2 3.67Å; I126-V139 CarbonylContact C-O 3.56Å; I126-A171 HydrophobicContact CD1-CB 3.32Å; I126-Y250 HydrophobicContact CG2-CE1 4.43Å; I126-Y250 HydrophobicContact CG2-CE2 4.09Å; I126-Y250 VanDerWaalsContact CG2-OH 3.3Å; I126-Y250 WeakPolarHBondContact CG2-OH 3.38Å |
| 127 | I | 95.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 111 | 167.2 | -56.5 | 172.6 | 0 | 0 | 0 | 106.6 | Y125 V139 R150 V153 L164 | Y125-I127 HydrophobicContact CD2-CG1 4.11Å; Y125-I127 HydrophobicContact CE2-CD1 3.82Å; Y125-I127 HydrophobicContact CE2-CG1 3.53Å; I127-V139 HydrophobicContact CB-CB 4.26Å; I127-V139 PolarHBondContact N-O 3.01Å; I127-V139 PolarHBondContact O-N 2.96Å; I127-R150 HydrophobicContact CD1-CG 3.89Å; I127-R150 HydrophobicContact CG1-CG 3.91Å; I127-R150 HydrophobicContact CG2-CG 4.44Å; I127-V153 HydrophobicContact CD1-CB 4.34Å; I127-V153 HydrophobicContact CD1-CG2 3.81Å; I127-V153 HydrophobicContact CG2-CG1 4.18Å; I127-L164 HydrophobicContact CG2-CD1 4.13Å; I127-L164 HydrophobicContact CG2-CD2 3.63Å; I127-L164 HydrophobicContact CG2-CG 4.49Å |
| 128 | E | 96.1 | Very high | 87.8 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 133.7 | 179.3 | -62.6 | 178.5 | 174.4 | 0 | 0 | 110.9 | I126 L164 V165 S167 M170 A171 | I126-E128 HydrophobicContact CD1-CG 4.26Å; E128-L164 WeakPolarHBondContact O-CA 3.46Å; E128-V165 HydrophobicContact CB-CB 3.84Å; E128-V165 HydrophobicContact CB-CG2 4Å; E128-V165 PolarHBondContact O-N 2.88Å; E128-S167 VanDerWaalsContact OE2-O 3.13Å; E128-M170 PolarHBondContact OE1-N 3.05Å; E128-M170 VanDerWaalsContact OE2-CB 3.27Å; E128-M170 WeakPolarHBondContact OE2-CB 3.47Å; E128-M170 PolarHBondContact OE2-N 3.49Å; E128-A171 HydrophobicContact CG-CB 4.4Å; E128-A171 VanDerWaalsContact OE1-CB 3.28Å; E128-A171 WeakPolarHBondContact OE1-CB 3.16Å; E128-A171 PolarHBondContact OE1-N 3.06Å |
| 129 | I | 95.9 | Very high | 88.8 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.2 | -178.3 | -49.2 | 173.6 | 0 | 0 | 0 | 108 | F136 V137 V139 V153 V157 F162 S163 L164 I273 | I129-F136 WeakPolarHBondContact O-CA 3.41Å; I129-V137 HydrophobicContact CB-CB 4.11Å; I129-V137 HydrophobicContact CD1-CB 4.44Å; I129-V137 HydrophobicContact CD1-CG1 4.4Å; I129-V137 PolarHBondContact N-O 2.71Å; I129-V137 PolarHBondContact O-N 2.98Å; I129-V139 HydrophobicContact CD1-CG2 3.56Å; I129-V153 HydrophobicContact CD1-CG1 3.9Å; I129-V157 HydrophobicContact CD1-CG1 3.71Å; I129-V157 HydrophobicContact CG2-CB 4.31Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.34Å; I129-F162 HydrophobicContact CG2-CB 3.74Å; I129-F162 HydrophobicContact CG2-CD1 3.87Å; I129-F162 HydrophobicContact CG2-CG 4.25Å; I129-S163 WeakPolarHBondContact CA-O 3.33Å; I129-L164 HydrophobicContact CD1-CD2 4.44Å; I129-L164 HydrophobicContact CG1-CD2 3.72Å; I129-I273 HydrophobicContact CD1-CD1 4.35Å |
| 130 | K | 94.4 | Very high | 90.2 | Very high | 100 Ų | 100 | 45.6 Ų | 45.6 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.7 | 175 | 63.7 | 177.2 | 178.4 | -178.1 | 0 | 111.6 | F136 S163 V165 | K130-F136 HydrophobicContact CB-CD1 3.76Å; K130-F136 HydrophobicContact CB-CE1 3.69Å; K130-S163 PolarHBondContact N-O 3.42Å; K130-S163 PolarHBondContact O-N 3.34Å; K130-V165 HydrophobicContact CB-CG2 4.04Å; K130-V165 HydrophobicContact CD-CG2 4.02Å; K130-V165 HydrophobicContact CG-CG2 3.9Å |
| 131 | A | 91.7 | Very high | 91.5 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 14% | 0.14 | 23% | 0.234 | C | C | . | . | trans | -128.2 | 165.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L135 F162 | A131-L135 HydrophobicContact CB-CB 3.94Å; A131-L135 PolarHBondContact N-O 2.87Å; A131-F162 HydrophobicContact CB-CD1 3.28Å; A131-F162 HydrophobicContact CB-CD2 4.11Å; A131-F162 HydrophobicContact CB-CE1 3.17Å; A131-F162 HydrophobicContact CB-CE2 4Å; A131-F162 HydrophobicContact CB-CG 3.76Å; A131-F162 HydrophobicContact CB-CZ 3.53Å | ||
| 132 | P | 85.8 | Confident | 92.3 | Very high | 109 Ų | 109 | 36.4 Ų | 36.4 | 71% | 0.708 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -53.1 | 153.9 | 165.2 | -22.5 | 34.1 | 0 | 0 | 0 | 111.9 | ||
| 133 | G | 88.4 | Confident | 92.6 | Very high | 68 Ų | 68 | 34.3 Ų | 34.3 | 70% | 0.701 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | 81.3 | 10.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | L135 | G133-L135 VanDerWaalsContact C-N 3.34Š|
| 134 | G | 90.8 | Very high | 92.6 | Very high | 30 Ų | 30 | 32.4 Ų | 32.4 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 80.3 | 15.3 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | F136 V256 N285 | G134-F136 WeakPolarHBondContact O-CD2 3.48Å; G134-F136 WeakPolarHBondContact O-CE2 3.3Å; G134-V256 WeakPolarHBondContact O-CG2 3.37Å; G134-N285 PolarHBondContact O-ND2 2.77Å |
| 135 | L | 93.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 37 Ų | 37 | 8% | 0.084 | 21% | 0.206 | C | C | . | . | trans | -76.6 | 125.9 | 173.9 | -73.8 | 173.6 | 0 | 0 | 0 | 110.9 | A131 G133 F162 V256 I258 A286 | A131-L135 HydrophobicContact CB-CB 3.94Å; A131-L135 PolarHBondContact N-O 2.87Å; G133-L135 VanDerWaalsContact C-N 3.34Å; L135-F162 HydrophobicContact CB-CE1 4.42Å; L135-F162 HydrophobicContact CD1-CZ 4.44Å; L135-V256 HydrophobicContact CD2-CB 3.91Å; L135-V256 HydrophobicContact CD2-CG1 3.88Å; L135-V256 HydrophobicContact CG-CG1 4.22Å; L135-I258 HydrophobicContact CD1-CG2 4.02Å; L135-I258 HydrophobicContact CD2-CG2 3.82Å; L135-I258 HydrophobicContact CG-CG2 4.34Å; L135-A286 HydrophobicContact CD2-CB 3.81Å | ||
| 136 | F | 95.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 140.6 | 177.6 | -58.4 | -63.7 | 0 | 0 | 0 | 110.1 | I129 K130 G134 M170 F174 F175 D284 N285 | I129-F136 WeakPolarHBondContact O-CA 3.41Å; K130-F136 HydrophobicContact CB-CD1 3.76Å; K130-F136 HydrophobicContact CB-CE1 3.69Å; G134-F136 WeakPolarHBondContact O-CD2 3.48Å; G134-F136 WeakPolarHBondContact O-CE2 3.3Å; F136-M170 HydrophobicContact CD1-CE 3.42Å; F136-M170 VanDerWaalsContact CD1-CE 3.42Å; F136-M170 HydrophobicContact CE1-CE 2.94Å; F136-M170 HydrophobicContact CE2-CE 4.15Å; F136-M170 HydrophobicContact CG-CE 4.22Å; F136-M170 HydrophobicContact CZ-CE 3.36Å; F136-F174 HydrophobicContact CD2-CB 4.02Å; F136-F174 AromaticContact CD2-CD1 3.6Å; F136-F174 HydrophobicContact CD2-CD1 3.6Å; F136-F174 AromaticContact CD2-CD2 3.81Å; F136-F174 HydrophobicContact CD2-CD2 3.81Å; F136-F174 AromaticContact CD2-CE1 3.99Å; F136-F174 HydrophobicContact CD2-CE1 3.99Å; F136-F174 HydrophobicContact CD2-CE2 4.21Å; F136-F174 AromaticContact CD2-CG 3.5Å; F136-F174 HydrophobicContact CD2-CG 3.5Å; F136-F174 VanDerWaalsContact CD2-CG 3.5Å; F136-F174 HydrophobicContact CD2-CZ 4.27Å; F136-F174 HydrophobicContact CE1-CE2 4.43Å; F136-F174 AromaticContact CE2-CD1 3.46Å; F136-F174 HydrophobicContact CE2-CD1 3.46Å; F136-F174 VanDerWaalsContact CE2-CD1 3.46Å; F136-F174 AromaticContact CE2-CD2 3.78Å; F136-F174 HydrophobicContact CE2-CD2 3.78Å; F136-F174 AromaticContact CE2-CE1 3.32Å; F136-F174 HydrophobicContact CE2-CE1 3.32Å; F136-F174 AromaticContact CE2-CE2 3.68Å; F136-F174 HydrophobicContact CE2-CE2 3.68Å; F136-F174 AromaticContact CE2-CG 3.68Å; F136-F174 HydrophobicContact CE2-CG 3.68Å; F136-F174 AromaticContact CE2-CZ 3.43Å; F136-F174 HydrophobicContact CE2-CZ 3.43Å; F136-F174 VanDerWaalsContact CE2-CZ 3.43Å; F136-F174 HydrophobicContact CG-CD2 4.26Å; F136-F174 HydrophobicContact CG-CG 4.24Å; F136-F174 HydrophobicContact CZ-CD1 4.48Å; F136-F174 HydrophobicContact CZ-CD2 4.21Å; F136-F174 HydrophobicContact CZ-CE1 4.07Å; F136-F174 AromaticContact CZ-CE2 3.81Å; F136-F174 HydrophobicContact CZ-CE2 3.81Å; F136-F174 AromaticContact CZ-CZ 3.7Å; F136-F174 HydrophobicContact CZ-CZ 3.7Å; F136-F175 HydrophobicContact CB-CE2 3.81Å; F136-F175 HydrophobicContact CB-CZ 4.15Å; F136-D284 WeakPolarHBondContact O-CA 3.38Å; F136-N285 PolarHBondContact N-OD1 2.83Å; F136-N285 PolarHBondContact O-N 2.84Å; F136-N285 PolarHBondContact O-OD1 2.83Å |
| 137 | V | 96.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 132.8 | 177.9 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | I129 V139 F162 L266 Y270 I282 F283 D284 | I129-V137 HydrophobicContact CB-CB 4.11Å; I129-V137 HydrophobicContact CD1-CB 4.44Å; I129-V137 HydrophobicContact CD1-CG1 4.4Å; I129-V137 PolarHBondContact N-O 2.71Å; I129-V137 PolarHBondContact O-N 2.98Å; V137-V139 HydrophobicContact CG1-CG2 4.32Å; V137-F162 HydrophobicContact CG2-CE1 4.29Å; V137-L266 HydrophobicContact CG2-CD1 4.48Å; V137-Y270 HydrophobicContact CG1-CE1 3.74Å; V137-Y270 HydrophobicContact CG2-CE1 4.15Å; V137-Y270 VanDerWaalsContact CG2-OH 3.26Å; V137-Y270 WeakPolarHBondContact CG2-OH 3.45Å; V137-I282 HydrophobicContact CG1-CG2 3.53Å; V137-F283 CarbonylContact C-O 3.45Å; V137-F283 VanDerWaalsContact CA-O 3.29Å; V137-F283 WeakPolarHBondContact CA-O 3.29Å; V137-F283 WeakPolarHBondContact CG1-O 3.5Å; V137-D284 HydrophobicContact CG2-CB 4Å |
| 138 | I | 96.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.3 | 170.2 | -68.5 | 176.7 | 0 | 0 | 0 | 107.6 | I126 A171 F175 Y250 I282 F283 | I126-I138 HydrophobicContact CB-CG2 4Å; I126-I138 HydrophobicContact CG2-CG2 3.67Å; I138-A171 HydrophobicContact CD1-CB 3.8Å; I138-A171 HydrophobicContact CG1-CB 4.49Å; I138-F175 HydrophobicContact CD1-CB 4.02Å; I138-F175 HydrophobicContact CD1-CD1 4.19Å; I138-F175 HydrophobicContact CD1-CD2 3.41Å; I138-F175 VanDerWaalsContact CD1-CD2 3.41Å; I138-F175 HydrophobicContact CD1-CE2 3.86Å; I138-F175 HydrophobicContact CD1-CG 3.61Å; I138-F175 HydrophobicContact CD1-CZ 4.41Å; I138-F175 HydrophobicContact CG1-CD2 4.05Å; I138-F175 HydrophobicContact CG1-CE2 3.98Å; I138-F175 HydrophobicContact CG1-CZ 4.42Å; I138-Y250 HydrophobicContact CD1-CD1 3.46Å; I138-Y250 VanDerWaalsContact CD1-CD1 3.46Å; I138-Y250 HydrophobicContact CD1-CE1 4.09Å; I138-Y250 HydrophobicContact CD1-CG 3.7Å; I138-Y250 HydrophobicContact CG2-CD2 4.12Å; I138-Y250 HydrophobicContact CG2-CE2 4.25Å; I138-Y250 HydrophobicContact CG2-CG 4.31Å; I138-I282 CarbonylContact O-C 3.58Å; I138-I282 WeakPolarHBondContact O-CA 3.5Å; I138-F283 HydrophobicContact CB-CB 4.35Å; I138-F283 HydrophobicContact CG2-CD2 4.41Å; I138-F283 PolarHBondContact N-O 2.8Å; I138-F283 PolarHBondContact O-N 3.48Å |
| 139 | V | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 111.8 | 168.9 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | I126 I127 I129 V137 I273 V279 I282 | I126-V139 CarbonylContact C-O 3.56Å; I127-V139 HydrophobicContact CB-CB 4.26Å; I127-V139 PolarHBondContact N-O 3.01Å; I127-V139 PolarHBondContact O-N 2.96Å; I129-V139 HydrophobicContact CD1-CG2 3.56Å; V137-V139 HydrophobicContact CG1-CG2 4.32Å; V139-I273 HydrophobicContact CG1-CG2 3.98Å; V139-I273 HydrophobicContact CG2-CD1 4.33Å; V139-I273 HydrophobicContact CG2-CG2 4.19Å; V139-V279 HydrophobicContact CG1-CB 4.37Å; V139-V279 HydrophobicContact CG1-CG1 3.72Å; V139-V279 HydrophobicContact CG1-CG2 3.77Å; V139-I282 HydrophobicContact CG2-CG1 4.31Å; V139-I282 HydrophobicContact CG2-CG2 4.4Å |
| 140 | E | 94.9 | Very high | 92.2 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 130.8 | 173 | -175.4 | 179.5 | 90.2 | 0 | 0 | 110.1 | P124 R142 D280 R281 | P124-E140 HydrophobicContact CB-CG 3.87Å; E140-R142 IonicContact OE1-CZ 2.83Å; E140-R142 IonicContact OE1-NH1 3.61Å; E140-R142 PolarHBondContact OE1-NH1 3.37Å; E140-R142 IonicContact OE1-NH2 3.57Å; E140-R142 PolarHBondContact OE1-NH2 2.95Å; E140-D280 PolarHBondContact O-N 2.91Å; E140-R281 HydrophobicContact CB-CB 4.2Å; E140-R281 VanDerWaalsContact CD-NH2 3.26Å; E140-R281 PolarHBondContact N-O 2.84Å; E140-R281 IonicContact OE1-CZ 3.86Å; E140-R281 VanDerWaalsContact OE1-CZ 3.31Å; E140-R281 IonicContact OE1-NE 3.52Å; E140-R281 PolarHBondContact OE1-NE 2.72Å; E140-R281 IonicContact OE1-NH2 2.84Å; E140-R281 PolarHBondContact OE1-NH2 2.75Å; E140-R281 VanDerWaalsContact OE1-NH2 3.1Å; E140-R281 IonicContact OE2-CZ 3.99Å; E140-R281 IonicContact OE2-NE 3.62Å; E140-R281 IonicContact OE2-NH2 3.69Å; E140-R281 PolarHBondContact OE2-NH2 3.23Å |
| 141 | S | 93.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 157.1 | 179.7 | -176.3 | 0 | 0 | 0 | 0 | 112.7 | P124 Y125 Y278 | P124-S141 WeakPolarHBondContact CA-O 3.48Å; Y125-S141 WeakPolarHBondContact CD1-O 3.45Å; Y125-S141 WeakPolarHBondContact CE1-O 3.43Å; Y125-S141 PolarHBondContact N-O 3.44Å; Y125-S141 PolarHBondContact O-N 3.4Å; Y125-S141 PolarHBondContact OH-OG 2.92Å; S141-Y278 CarbonylContact C-O 3.52Å; S141-Y278 WeakPolarHBondContact CA-O 3.48Å; S141-Y278 VanDerWaalsContact CB-O 3.32Å; S141-Y278 WeakPolarHBondContact CB-O 3.22Å; S141-Y278 WeakPolarHBondContact OG-CB 3.29Å; S141-Y278 PolarHBondContact OG-O 2.95Å |
| 142 | R | 89.5 | Confident | 92.5 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 19% | 0.185 | 29% | 0.285 | C | S | . | . | trans | -131 | 45.6 | -179 | -70.8 | 178.3 | 176.5 | 91.7 | -0.3 | 112.6 | I122 P124 E140 Y278 D280 | I122-R142 HydrophobicContact CB-CB 4.44Å; I122-R142 WeakPolarHBondContact CD1-O 3.36Å; I122-R142 HydrophobicContact CG2-CB 4.38Å; P124-R142 HydrophobicContact CB-CG 3.97Å; E140-R142 IonicContact OE1-CZ 2.83Å; E140-R142 IonicContact OE1-NH1 3.61Å; E140-R142 PolarHBondContact OE1-NH1 3.37Å; E140-R142 IonicContact OE1-NH2 3.57Å; E140-R142 PolarHBondContact OE1-NH2 2.95Å; R142-Y278 PolarHBondContact N-O 3.37Å; R142-D280 WeakPolarHBondContact CD-OD2 2.74Å; R142-D280 VanDerWaalsContact CG-OD2 3.29Å; R142-D280 WeakPolarHBondContact CG-OD2 3.21Å; R142-D280 IonicContact CZ-OD2 3.33Å; R142-D280 IonicContact NE-OD2 2.73Å; R142-D280 IonicContact NH1-OD1 3.54Å; R142-D280 IonicContact NH1-OD2 2.77Å; R142-D280 PolarHBondContact NH1-OD2 3.05Å | ||
| 143 | A | 88.2 | Confident | 93 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | trans | -84.4 | 138.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y125 H145 E149 Y278 | Y125-A143 HydrophobicContact CE1-CB 4.19Å; A143-H145 VanDerWaalsContact C-N 3.26Å; A143-H145 PolarHBondContact O-N 2.95Å; A143-E149 HydrophobicContact CB-CB 3.93Å; A143-E149 HydrophobicContact CB-CG 4.17Å; A143-Y278 HydrophobicContact CB-CD1 4.35Å; A143-Y278 HydrophobicContact CB-CD2 3.51Å; A143-Y278 HydrophobicContact CB-CE2 4.23Å; A143-Y278 HydrophobicContact CB-CG 3.58Å | ||
| 144 | K | 84.9 | Confident | 93.4 | Very high | 107 Ų | 107 | 43.2 Ų | 43.2 | 47% | 0.465 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -60 | -37.9 | 169.9 | -64.3 | -168.9 | 177.7 | -175.4 | 0 | 112.3 | I122 | I122-K144 HydrophobicContact CD1-CB 4.41Å; I122-K144 HydrophobicContact CD1-CD 4.32Å; I122-K144 HydrophobicContact CD1-CG 3.32Å; I122-K144 HydrophobicContact CG1-CG 4.02Å |
| 145 | H | 89.1 | Confident | 93.7 | Very high | 148 Ų | 148 | 44.8 Ų | 44.8 | 69% | 0.685 | 23% | 0.232 | S | C | * | . | trans | -107.5 | 76.5 | -177.1 | -61.6 | -63.6 | 0 | 0 | 0 | 110.8 | A143 A147 S148 E149 | A143-H145 VanDerWaalsContact C-N 3.26Å; A143-H145 PolarHBondContact O-N 2.95Å; H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.06Å; H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 VanDerWaalsContact O-N 3.11Å; H145-E149 PolarHBondContact O-N 3.37Å | ||
| 146 | V | 91.1 | Very high | 93.9 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -48.6 | -44.5 | -178.1 | 176.7 | 0 | 0 | 0 | 0 | 112.8 | Y125 S148 E149 R150 | Y125-V146 HydrophobicContact CD1-CG2 3.9Å; Y125-V146 HydrophobicContact CD2-CG1 3.89Å; Y125-V146 HydrophobicContact CD2-CG2 4.46Å; Y125-V146 HydrophobicContact CE1-CB 4.45Å; Y125-V146 HydrophobicContact CE1-CG1 4.49Å; Y125-V146 HydrophobicContact CE1-CG2 3.72Å; Y125-V146 HydrophobicContact CE2-CB 4.33Å; Y125-V146 HydrophobicContact CE2-CG1 3.57Å; Y125-V146 HydrophobicContact CE2-CG2 4.3Å; Y125-V146 HydrophobicContact CG-CG1 4.48Å; Y125-V146 HydrophobicContact CG-CG2 4.28Å; V146-S148 PolarHBondContact O-N 2.88Å; V146-E149 PolarHBondContact O-N 2.89Å; V146-R150 HydrophobicContact CG1-CG 4.16Å; V146-R150 WeakPolarHBondContact O-CB 3.45Å; V146-R150 VanDerWaalsContact O-CG 3.32Å; V146-R150 WeakPolarHBondContact O-CG 3.4Å; V146-R150 PolarHBondContact O-N 2.8Å |
| 147 | A | 92.3 | Very high | 94 | Very high | 80 Ų | 80 | 44 Ų | 44 | 66% | 0.661 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.7 | -40.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | H145 Q151 | H145-A147 VanDerWaalsContact C-N 3.26Å; H145-A147 PolarHBondContact O-N 3.06Å; A147-Q151 PolarHBondContact O-N 3.28Å |
| 148 | S | 93.8 | Very high | 93.9 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -43.3 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 111 | H145 V146 Q151 R152 | H145-S148 PolarHBondContact O-N 2.79Å; H145-S148 VanDerWaalsContact O-N 3.11Å; V146-S148 PolarHBondContact O-N 2.88Å; S148-Q151 WeakPolarHBondContact O-CB 3.4Å; S148-Q151 PolarHBondContact O-N 3.08Å; S148-R152 WeakPolarHBondContact O-CG 3.13Å; S148-R152 PolarHBondContact O-N 3.15Å |
| 149 | E | 93.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 179.1 | -164.2 | 69.2 | 174.1 | 0 | 0 | 111.8 | Y125 A143 H145 V146 Q151 R152 V153 L276 | Y125-E149 VanDerWaalsContact OH-CB 3.32Å; Y125-E149 WeakPolarHBondContact OH-CB 3.42Å; Y125-E149 WeakPolarHBondContact OH-CG 3.28Å; A143-E149 HydrophobicContact CB-CB 3.93Å; A143-E149 HydrophobicContact CB-CG 4.17Å; H145-E149 PolarHBondContact O-N 3.37Å; V146-E149 PolarHBondContact O-N 2.89Å; E149-Q151 VanDerWaalsContact C-N 3.26Å; E149-Q151 PolarHBondContact O-N 3Å; E149-R152 WeakPolarHBondContact O-CB 3.41Å; E149-R152 PolarHBondContact O-N 3.31Å; E149-R152 VanDerWaalsContact O-N 3.09Å; E149-R152 WeakPolarHBondContact OE2-CD 3.27Å; E149-R152 IonicContact OE2-CZ 3.1Å; E149-R152 IonicContact OE2-NE 3.44Å; E149-R152 IonicContact OE2-NH1 2.83Å; E149-R152 PolarHBondContact OE2-NH1 2.91Å; E149-V153 WeakPolarHBondContact O-CG2 3.33Å; E149-V153 PolarHBondContact O-N 2.84Å; E149-L276 WeakPolarHBondContact OE1-CB 3.5Å |
| 150 | R | 95.2 | Very high | 93.8 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.8 | -41.3 | 170.6 | -74.7 | 178.2 | 69.6 | 86.4 | 1.1 | 111.7 | I127 V146 R152 V153 C154 L164 V165 | I127-R150 HydrophobicContact CD1-CG 3.89Å; I127-R150 HydrophobicContact CG1-CG 3.91Å; I127-R150 HydrophobicContact CG2-CG 4.44Å; V146-R150 HydrophobicContact CG1-CG 4.16Å; V146-R150 WeakPolarHBondContact O-CB 3.45Å; V146-R150 VanDerWaalsContact O-CG 3.32Å; V146-R150 WeakPolarHBondContact O-CG 3.4Å; V146-R150 PolarHBondContact O-N 2.8Å; R150-R152 PolarHBondContact O-N 2.7Å; R150-V153 PolarHBondContact O-N 2.95Å; R150-C154 WeakPolarHBondContact O-CB 3.17Å; R150-C154 PolarHBondContact O-N 3.11Å; R150-L164 HydrophobicContact CB-CD1 4.24Å; R150-L164 WeakPolarHBondContact O-CD1 3.46Å; R150-V165 PolarHBondContact NH2-O 3.36Å |
| 151 | Q | 96.1 | Very high | 93.8 | Very high | 137 Ų | 137 | 62.5 Ų | 62.5 | 64% | 0.64 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.1 | -38.5 | 177.3 | -174.2 | 178.3 | -3.5 | 0 | 0 | 112.4 | A147 S148 E149 C154 S155 | A147-Q151 PolarHBondContact O-N 3.28Å; S148-Q151 WeakPolarHBondContact O-CB 3.4Å; S148-Q151 PolarHBondContact O-N 3.08Å; E149-Q151 VanDerWaalsContact C-N 3.26Å; E149-Q151 PolarHBondContact O-N 3Å; Q151-C154 WeakPolarHBondContact O-CB 3.27Å; Q151-C154 PolarHBondContact O-N 3.17Å; Q151-S155 WeakPolarHBondContact O-CB 3.21Å; Q151-S155 PolarHBondContact O-N 2.8Å; Q151-S155 PolarHBondContact O-OG 3.34Å |
| 152 | R | 96.6 | Very high | 93.8 | Very high | 112 Ų | 112 | 63.6 Ų | 63.6 | 42% | 0.423 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65 | -49 | 175.7 | -68.5 | 170.2 | -179.4 | 178.2 | -6.4 | 111.7 | S148 E149 R150 C154 S155 I156 L276 | S148-R152 WeakPolarHBondContact O-CG 3.13Å; S148-R152 PolarHBondContact O-N 3.15Å; E149-R152 WeakPolarHBondContact O-CB 3.41Å; E149-R152 PolarHBondContact O-N 3.31Å; E149-R152 VanDerWaalsContact O-N 3.09Å; E149-R152 WeakPolarHBondContact OE2-CD 3.27Å; E149-R152 IonicContact OE2-CZ 3.1Å; E149-R152 IonicContact OE2-NE 3.44Å; E149-R152 IonicContact OE2-NH1 2.83Å; E149-R152 PolarHBondContact OE2-NH1 2.91Å; R150-R152 PolarHBondContact O-N 2.7Å; R152-C154 VanDerWaalsContact C-N 3.34Å; R152-C154 PolarHBondContact O-N 2.83Å; R152-S155 PolarHBondContact O-N 3.28Å; R152-I156 PolarHBondContact O-N 2.96Å; R152-L276 HydrophobicContact CB-CD1 4Å; R152-L276 HydrophobicContact CB-CD2 3.99Å |
| 153 | V | 97.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 110.5 | I127 I129 E149 R150 S155 I156 V157 L164 L276 | I127-V153 HydrophobicContact CD1-CB 4.34Å; I127-V153 HydrophobicContact CD1-CG2 3.81Å; I127-V153 HydrophobicContact CG2-CG1 4.18Å; I129-V153 HydrophobicContact CD1-CG1 3.9Å; E149-V153 WeakPolarHBondContact O-CG2 3.33Å; E149-V153 PolarHBondContact O-N 2.84Å; R150-V153 PolarHBondContact O-N 2.95Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 2.83Å; V153-I156 PolarHBondContact O-N 2.83Å; V153-I156 VanDerWaalsContact O-N 3.08Å; V153-V157 HydrophobicContact CG1-CG1 4.03Å; V153-V157 WeakPolarHBondContact O-CG1 3.12Å; V153-V157 WeakPolarHBondContact O-CG2 3.18Å; V153-V157 PolarHBondContact O-N 3.12Å; V153-L164 HydrophobicContact CG1-CD2 4.09Å; V153-L276 HydrophobicContact CG2-CD1 3.56Å |
| 154 | C | 96.4 | Very high | 94.4 | Very high | 25 Ų | 25 | 65 Ų | 65 | 17% | 0.169 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.3 | -44.1 | 176.2 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | R150 Q151 R152 I156 K158 L164 | R150-C154 WeakPolarHBondContact O-CB 3.17Å; R150-C154 PolarHBondContact O-N 3.11Å; Q151-C154 WeakPolarHBondContact O-CB 3.27Å; Q151-C154 PolarHBondContact O-N 3.17Å; R152-C154 VanDerWaalsContact C-N 3.34Å; R152-C154 PolarHBondContact O-N 2.83Å; C154-I156 VanDerWaalsContact C-N 3.27Å; C154-I156 PolarHBondContact O-N 3.28Å; C154-K158 WeakPolarHBondContact O-CB 3.25Å; C154-K158 VanDerWaalsContact O-CG 3.25Å; C154-K158 WeakPolarHBondContact O-CG 3.34Å; C154-K158 PolarHBondContact O-N 2.92Å; C154-K158 VanDerWaalsContact O-N 3.11Å; C154-K158 WeakPolarHBondContact SG-CE 3.29Å; C154-L164 HydrophobicContact CB-CD1 3.67Å; C154-L164 HydrophobicContact CB-CG 3.95Å |
| 155 | S | 96.7 | Very high | 94.7 | Very high | 63 Ų | 63 | 60.3 Ų | 60.3 | 44% | 0.441 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -67.5 | -27.5 | -179.3 | -58.2 | 0 | 0 | 0 | 0 | 113.1 | Q151 R152 V153 K159 | Q151-S155 WeakPolarHBondContact O-CB 3.21Å; Q151-S155 PolarHBondContact O-N 2.8Å; Q151-S155 PolarHBondContact O-OG 3.34Å; R152-S155 PolarHBondContact O-N 3.28Å; V153-S155 VanDerWaalsContact C-N 3.29Å; V153-S155 PolarHBondContact O-N 2.83Å; S155-K159 WeakPolarHBondContact O-CE 3.38Å |
| 156 | I | 97.4 | Very high | 94.5 | Very high | 23 Ų | 23 | 60.9 Ų | 60.9 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -77.6 | -56.3 | 174.3 | -63.8 | 168.8 | 0 | 0 | 0 | 109.5 | R152 V153 C154 K158 K159 Y160 M269 K272 I273 L276 | R152-I156 PolarHBondContact O-N 2.96Å; V153-I156 PolarHBondContact O-N 2.83Å; V153-I156 VanDerWaalsContact O-N 3.08Å; C154-I156 VanDerWaalsContact C-N 3.27Å; C154-I156 PolarHBondContact O-N 3.28Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.88Å; I156-K159 WeakPolarHBondContact O-CB 3.14Å; I156-K159 PolarHBondContact O-N 3.46Å; I156-Y160 HydrophobicContact CG2-CE2 4.34Å; I156-Y160 WeakPolarHBondContact O-CD2 3.42Å; I156-M269 HydrophobicContact CG2-CG 4.25Å; I156-K272 HydrophobicContact CG2-CB 3.77Å; I156-I273 HydrophobicContact CB-CG1 4.45Å; I156-I273 HydrophobicContact CD1-CG1 4.39Å; I156-I273 HydrophobicContact CG2-CG1 3.91Å; I156-L276 HydrophobicContact CD1-CD1 3.97Å; I156-L276 HydrophobicContact CD1-CD2 4.21Å; I156-L276 HydrophobicContact CD1-CG 4.09Å |
| 157 | V | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.2 | -29.3 | -168.2 | -57.3 | 0 | 0 | 0 | 0 | 112.9 | I129 V153 K159 Y160 G161 F162 L164 M269 I273 | I129-V157 HydrophobicContact CD1-CG1 3.71Å; I129-V157 HydrophobicContact CG2-CB 4.31Å; I129-V157 HydrophobicContact CG2-CG1 4.35Å; I129-V157 HydrophobicContact CG2-CG2 4.34Å; V153-V157 HydrophobicContact CG1-CG1 4.03Å; V153-V157 WeakPolarHBondContact O-CG1 3.12Å; V153-V157 WeakPolarHBondContact O-CG2 3.18Å; V153-V157 PolarHBondContact O-N 3.12Å; V157-K159 PolarHBondContact O-N 2.88Å; V157-Y160 PolarHBondContact O-N 2.84Å; V157-G161 PolarHBondContact O-N 2.88Å; V157-F162 CarbonylContact C-O 3.57Å; V157-F162 HydrophobicContact CB-CB 3.87Å; V157-F162 HydrophobicContact CG2-CB 4.39Å; V157-F162 PolarHBondContact O-N 2.92Å; V157-F162 VanDerWaalsContact O-N 3.09Å; V157-L164 HydrophobicContact CG2-CD2 4.17Å; V157-M269 HydrophobicContact CB-SD 3.98Å; V157-M269 HydrophobicContact CG1-CE 4.42Å; V157-M269 HydrophobicContact CG1-CG 4.41Å; V157-M269 HydrophobicContact CG1-SD 3.76Å; V157-I273 HydrophobicContact CG1-CD1 3.73Å; V157-I273 HydrophobicContact CG1-CG1 4.44Å |
| 158 | K | 96.2 | Very high | 92.9 | Very high | 138 Ų | 138 | 60.3 Ų | 60.3 | 60% | 0.6 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -58.1 | -33.3 | 173 | -82.2 | 177.4 | 171.6 | 176.2 | 0 | 113.2 | C154 I156 Y160 G161 | C154-K158 WeakPolarHBondContact O-CB 3.25Å; C154-K158 VanDerWaalsContact O-CG 3.25Å; C154-K158 WeakPolarHBondContact O-CG 3.34Å; C154-K158 PolarHBondContact O-N 2.92Å; C154-K158 VanDerWaalsContact O-N 3.11Å; C154-K158 WeakPolarHBondContact SG-CE 3.29Å; I156-K158 VanDerWaalsContact C-N 3.3Å; I156-K158 PolarHBondContact O-N 2.88Å; K158-Y160 PolarHBondContact O-N 2.95Å; K158-G161 PolarHBondContact O-N 3.4Å |
| 159 | K | 95.9 | Very high | 92.2 | Very high | 169 Ų | 169 | 63.5 Ų | 63.5 | 74% | 0.735 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -69.1 | -17.1 | 178.3 | -59.7 | 178.5 | -177 | 179.9 | 0 | 112.6 | S155 I156 V157 | S155-K159 WeakPolarHBondContact O-CE 3.38Å; I156-K159 WeakPolarHBondContact O-CB 3.14Å; I156-K159 PolarHBondContact O-N 3.46Å; V157-K159 PolarHBondContact O-N 2.88Å |
| 160 | Y | 95.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 65.3 Ų | 65.3 | 16% | 0.157 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -105.2 | 5.3 | -179.9 | -69.1 | -90.4 | 0 | 0 | 0 | 112.7 | I156 V157 K158 F162 T265 E268 M269 K272 | I156-Y160 HydrophobicContact CG2-CE2 4.34Å; I156-Y160 WeakPolarHBondContact O-CD2 3.42Å; V157-Y160 PolarHBondContact O-N 2.84Å; K158-Y160 PolarHBondContact O-N 2.95Å; Y160-F162 VanDerWaalsContact C-N 3.35Å; Y160-F162 VanDerWaalsContact O-CD2 3.31Å; Y160-F162 WeakPolarHBondContact O-CD2 3.47Å; Y160-T265 HydrophobicContact CD1-CG2 3.77Å; Y160-T265 HydrophobicContact CE1-CG2 4.16Å; Y160-T265 WeakPolarHBondContact CE1-O 3.38Å; Y160-E268 HydrophobicContact CE1-CB 4.27Å; Y160-M269 HydrophobicContact CD1-CB 3.83Å; Y160-M269 HydrophobicContact CD1-CG 4.43Å; Y160-M269 HydrophobicContact CD2-CB 3.76Å; Y160-M269 HydrophobicContact CD2-CG 3.55Å; Y160-M269 HydrophobicContact CD2-SD 4.11Å; Y160-M269 HydrophobicContact CE1-CB 3.86Å; Y160-M269 HydrophobicContact CE2-CB 3.82Å; Y160-M269 HydrophobicContact CE2-CG 3.9Å; Y160-M269 HydrophobicContact CG-CB 3.77Å; Y160-M269 HydrophobicContact CG-CG 3.85Å; Y160-M269 HydrophobicContact CG-SD 4.02Å; Y160-K272 HydrophobicContact CE2-CD 3.96Å; Y160-K272 VanDerWaalsContact OH-CD 3.26Å; Y160-K272 WeakPolarHBondContact OH-CD 3.15Å; Y160-K272 WeakPolarHBondContact OH-CE 3.36Å; Y160-K272 PolarHBondContact OH-NZ 2.86Å |
| 161 | G | 93.2 | Very high | 91.4 | Very high | 52 Ų | 52 | 62.8 Ų | 62.8 | 54% | 0.536 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 10.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V157 K158 | V157-G161 PolarHBondContact O-N 2.88Å; K158-G161 PolarHBondContact O-N 3.4Å |
| 162 | F | 95.3 | Very high | 91.1 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | trans | -96 | 159.5 | 176.4 | -73.2 | -112.5 | 0 | 0 | 0 | 110.6 | I129 A131 L135 V137 V157 Y160 L266 M269 | I129-F162 HydrophobicContact CG2-CB 3.74Å; I129-F162 HydrophobicContact CG2-CD1 3.87Å; I129-F162 HydrophobicContact CG2-CG 4.25Å; A131-F162 HydrophobicContact CB-CD1 3.28Å; A131-F162 HydrophobicContact CB-CD2 4.11Å; A131-F162 HydrophobicContact CB-CE1 3.17Å; A131-F162 HydrophobicContact CB-CE2 4Å; A131-F162 HydrophobicContact CB-CG 3.76Å; A131-F162 HydrophobicContact CB-CZ 3.53Å; L135-F162 HydrophobicContact CB-CE1 4.42Å; L135-F162 HydrophobicContact CD1-CZ 4.44Å; V137-F162 HydrophobicContact CG2-CE1 4.29Å; V157-F162 CarbonylContact C-O 3.57Å; V157-F162 HydrophobicContact CB-CB 3.87Å; V157-F162 HydrophobicContact CG2-CB 4.39Å; V157-F162 PolarHBondContact O-N 2.92Å; V157-F162 VanDerWaalsContact O-N 3.09Å; Y160-F162 VanDerWaalsContact C-N 3.35Å; Y160-F162 VanDerWaalsContact O-CD2 3.31Å; Y160-F162 WeakPolarHBondContact O-CD2 3.47Å; F162-L266 HydrophobicContact CE1-CD1 4.08Å; F162-L266 HydrophobicContact CE2-CD1 4.37Å; F162-L266 HydrophobicContact CZ-CD1 3.68Å; F162-M269 HydrophobicContact CB-SD 4.49Å; F162-M269 HydrophobicContact CD1-CE 4.44Å; F162-M269 HydrophobicContact CD2-SD 4.08Å; F162-M269 HydrophobicContact CG-CE 4.49Å; F162-M269 HydrophobicContact CG-SD 4.22Å | ||
| 163 | S | 94.8 | Very high | 90.9 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 41% | 0.406 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 147.9 | 178.7 | -68.9 | 0 | 0 | 0 | 0 | 111.4 | I129 K130 | I129-S163 WeakPolarHBondContact CA-O 3.33Å; K130-S163 PolarHBondContact N-O 3.42Å; K130-S163 PolarHBondContact O-N 3.34Å |
| 164 | L | 94.9 | Very high | 90.8 | Very high | 26 Ų | 26 | 65.8 Ų | 65.8 | 14% | 0.136 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 146.8 | 172.3 | -62.6 | -165.7 | 0 | 0 | 0 | 111.2 | I127 E128 I129 R150 V153 C154 V157 | I127-L164 HydrophobicContact CG2-CD1 4.13Å; I127-L164 HydrophobicContact CG2-CD2 3.63Å; I127-L164 HydrophobicContact CG2-CG 4.49Å; E128-L164 WeakPolarHBondContact O-CA 3.46Å; I129-L164 HydrophobicContact CD1-CD2 4.44Å; I129-L164 HydrophobicContact CG1-CD2 3.72Å; R150-L164 HydrophobicContact CB-CD1 4.24Å; R150-L164 WeakPolarHBondContact O-CD1 3.46Å; V153-L164 HydrophobicContact CG1-CD2 4.09Å; C154-L164 HydrophobicContact CB-CD1 3.67Å; C154-L164 HydrophobicContact CB-CG 3.95Å; V157-L164 HydrophobicContact CG2-CD2 4.17Å |
| 165 | V | 91.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | trans | -89.8 | 132.3 | 165.1 | -165.9 | 0 | 0 | 0 | 0 | 108.1 | E128 K130 R150 S167 M170 | E128-V165 HydrophobicContact CB-CB 3.84Å; E128-V165 HydrophobicContact CB-CG2 4Å; E128-V165 PolarHBondContact O-N 2.88Å; K130-V165 HydrophobicContact CB-CG2 4.04Å; K130-V165 HydrophobicContact CD-CG2 4.02Å; K130-V165 HydrophobicContact CG-CG2 3.9Å; R150-V165 PolarHBondContact NH2-O 3.36Å; V165-S167 WeakPolarHBondContact CG1-O 3.32Å; V165-M170 HydrophobicContact CB-CG 4.34Å; V165-M170 HydrophobicContact CG1-CG 3.67Å; V165-M170 HydrophobicContact CG2-CG 4.06Å | ||
| 166 | L | 84.5 | Confident | 90.7 | Very high | 160 Ų | 160 | 65.2 Ų | 65.2 | 84% | 0.838 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -87.8 | -34 | -179.9 | -63.7 | 177.8 | 0 | 0 | 0 | 112.1 | ||
| 167 | S | 75 | Confident | 90.6 | Very high | 71 Ų | 71 | 67.9 Ų | 67.9 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -91.4 | 125.6 | 177.3 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | E128 V165 D169 | E128-S167 VanDerWaalsContact OE2-O 3.13Å; V165-S167 WeakPolarHBondContact CG1-O 3.32Å; S167-D169 PolarHBondContact O-N 3.24Å |
| 168 | G | 75 | Confident | 90.5 | Very high | 54 Ų | 54 | 68.8 Ų | 68.8 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | 36.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 169 | D | 79.3 | Confident | 90.6 | Very high | 119 Ų | 119 | 62.2 Ų | 62.2 | 64% | 0.636 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -9.7 | -177 | -60.7 | -37.3 | 0 | 0 | 0 | 112.7 | S167 K173 | S167-D169 PolarHBondContact O-N 3.24Å; D169-K173 WeakPolarHBondContact O-CB 3.38Å; D169-K173 PolarHBondContact O-N 3.46Å |
| 170 | M | 84.2 | Confident | 90.6 | Very high | 40 Ų | 40 | 54.8 Ų | 54.8 | 20% | 0.197 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.6 | -35.6 | -171.7 | -65.2 | -73.3 | -65.3 | 0 | 0 | 112 | E128 F136 V165 N172 K173 F174 | E128-M170 PolarHBondContact OE1-N 3.05Å; E128-M170 VanDerWaalsContact OE2-CB 3.27Å; E128-M170 WeakPolarHBondContact OE2-CB 3.47Å; E128-M170 PolarHBondContact OE2-N 3.49Å; F136-M170 HydrophobicContact CD1-CE 3.42Å; F136-M170 VanDerWaalsContact CD1-CE 3.42Å; F136-M170 HydrophobicContact CE1-CE 2.94Å; F136-M170 HydrophobicContact CE2-CE 4.15Å; F136-M170 HydrophobicContact CG-CE 4.22Å; F136-M170 HydrophobicContact CZ-CE 3.36Å; V165-M170 HydrophobicContact CB-CG 4.34Å; V165-M170 HydrophobicContact CG1-CG 3.67Å; V165-M170 HydrophobicContact CG2-CG 4.06Å; M170-N172 PolarHBondContact O-N 2.87Å; M170-K173 PolarHBondContact O-N 2.72Å; M170-F174 HydrophobicContact CB-CD2 4.39Å; M170-F174 HydrophobicContact CE-CD2 3.54Å; M170-F174 HydrophobicContact CE-CE2 3.13Å; M170-F174 HydrophobicContact CE-CZ 4.07Å; M170-F174 WeakPolarHBondContact O-CD2 3.31Å; M170-F174 PolarHBondContact O-N 3.18Å; M170-F174 HydrophobicContact SD-CD2 4.2Å; M170-F174 HydrophobicContact SD-CE2 3.66Å |
| 171 | A | 87.6 | Confident | 90.6 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -56.7 | -53.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I126 E128 I138 K173 F174 F175 | I126-A171 HydrophobicContact CD1-CB 3.32Å; E128-A171 HydrophobicContact CG-CB 4.4Å; E128-A171 VanDerWaalsContact OE1-CB 3.28Å; E128-A171 WeakPolarHBondContact OE1-CB 3.16Å; E128-A171 PolarHBondContact OE1-N 3.06Å; I138-A171 HydrophobicContact CD1-CB 3.8Å; I138-A171 HydrophobicContact CG1-CB 4.49Å; A171-K173 PolarHBondContact O-N 3.36Å; A171-F174 PolarHBondContact O-N 3.43Å; A171-F175 CarbonylContact O-C 3.6Å; A171-F175 WeakPolarHBondContact O-CA 3.39Å; A171-F175 WeakPolarHBondContact O-CB 3.09Å; A171-F175 PolarHBondContact O-N 2.88Å; A171-F175 VanDerWaalsContact O-O 3.04Å |
| 172 | N | 90.2 | Very high | 90.7 | Very high | 119 Ų | 119 | 51 Ų | 51 | 64% | 0.636 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.7 | -28.3 | 180 | -65.4 | -20.9 | 0 | 0 | 0 | 113.4 | M170 K253 | M170-N172 PolarHBondContact O-N 2.87Å; N172-K253 PolarHBondContact O-NZ 2.94Å |
| 173 | K | 92.4 | Very high | 90.6 | Very high | 145 Ų | 145 | 50 Ų | 50 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -76.5 | -36.2 | -179.4 | -175 | 170.5 | 178.8 | 176.3 | 0 | 112.9 | D169 M170 A171 | D169-K173 WeakPolarHBondContact O-CB 3.38Å; D169-K173 PolarHBondContact O-N 3.46Å; M170-K173 PolarHBondContact O-N 2.72Å; A171-K173 PolarHBondContact O-N 3.36Å |
| 174 | F | 93.8 | Very high | 90.5 | Very high | 48 Ų | 48 | 48.4 Ų | 48.4 | 21% | 0.211 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -111.6 | -14.5 | -172.2 | -66.7 | -77.2 | 0 | 0 | 0 | 114.1 | F136 M170 A171 K253 | F136-F174 HydrophobicContact CD2-CB 4.02Å; F136-F174 AromaticContact CD2-CD1 3.6Å; F136-F174 HydrophobicContact CD2-CD1 3.6Å; F136-F174 AromaticContact CD2-CD2 3.81Å; F136-F174 HydrophobicContact CD2-CD2 3.81Å; F136-F174 AromaticContact CD2-CE1 3.99Å; F136-F174 HydrophobicContact CD2-CE1 3.99Å; F136-F174 HydrophobicContact CD2-CE2 4.21Å; F136-F174 AromaticContact CD2-CG 3.5Å; F136-F174 HydrophobicContact CD2-CG 3.5Å; F136-F174 VanDerWaalsContact CD2-CG 3.5Å; F136-F174 HydrophobicContact CD2-CZ 4.27Å; F136-F174 HydrophobicContact CE1-CE2 4.43Å; F136-F174 AromaticContact CE2-CD1 3.46Å; F136-F174 HydrophobicContact CE2-CD1 3.46Å; F136-F174 VanDerWaalsContact CE2-CD1 3.46Å; F136-F174 AromaticContact CE2-CD2 3.78Å; F136-F174 HydrophobicContact CE2-CD2 3.78Å; F136-F174 AromaticContact CE2-CE1 3.32Å; F136-F174 HydrophobicContact CE2-CE1 3.32Å; F136-F174 AromaticContact CE2-CE2 3.68Å; F136-F174 HydrophobicContact CE2-CE2 3.68Å; F136-F174 AromaticContact CE2-CG 3.68Å; F136-F174 HydrophobicContact CE2-CG 3.68Å; F136-F174 AromaticContact CE2-CZ 3.43Å; F136-F174 HydrophobicContact CE2-CZ 3.43Å; F136-F174 VanDerWaalsContact CE2-CZ 3.43Å; F136-F174 HydrophobicContact CG-CD2 4.26Å; F136-F174 HydrophobicContact CG-CG 4.24Å; F136-F174 HydrophobicContact CZ-CD1 4.48Å; F136-F174 HydrophobicContact CZ-CD2 4.21Å; F136-F174 HydrophobicContact CZ-CE1 4.07Å; F136-F174 AromaticContact CZ-CE2 3.81Å; F136-F174 HydrophobicContact CZ-CE2 3.81Å; F136-F174 AromaticContact CZ-CZ 3.7Å; F136-F174 HydrophobicContact CZ-CZ 3.7Å; M170-F174 HydrophobicContact CB-CD2 4.39Å; M170-F174 HydrophobicContact CE-CD2 3.54Å; M170-F174 HydrophobicContact CE-CE2 3.13Å; M170-F174 HydrophobicContact CE-CZ 4.07Å; M170-F174 WeakPolarHBondContact O-CD2 3.31Å; M170-F174 PolarHBondContact O-N 3.18Å; M170-F174 HydrophobicContact SD-CD2 4.2Å; M170-F174 HydrophobicContact SD-CE2 3.66Å; A171-F174 PolarHBondContact O-N 3.43Å; F174-K253 PolarHBondContact O-N 3.44Å |
| 175 | F | 96.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 150.2 | -179.2 | -58.1 | -95.3 | 0 | 0 | 0 | 110.8 | F136 I138 A171 Y250 Y251 A252 K253 N285 | F136-F175 HydrophobicContact CB-CE2 3.81Å; F136-F175 HydrophobicContact CB-CZ 4.15Å; I138-F175 HydrophobicContact CD1-CB 4.02Å; I138-F175 HydrophobicContact CD1-CD1 4.19Å; I138-F175 HydrophobicContact CD1-CD2 3.41Å; I138-F175 VanDerWaalsContact CD1-CD2 3.41Å; I138-F175 HydrophobicContact CD1-CE2 3.86Å; I138-F175 HydrophobicContact CD1-CG 3.61Å; I138-F175 HydrophobicContact CD1-CZ 4.41Å; I138-F175 HydrophobicContact CG1-CD2 4.05Å; I138-F175 HydrophobicContact CG1-CE2 3.98Å; I138-F175 HydrophobicContact CG1-CZ 4.42Å; A171-F175 CarbonylContact O-C 3.6Å; A171-F175 WeakPolarHBondContact O-CA 3.39Å; A171-F175 WeakPolarHBondContact O-CB 3.09Å; A171-F175 PolarHBondContact O-N 2.88Å; A171-F175 VanDerWaalsContact O-O 3.04Å; F175-Y250 HydrophobicContact CB-CD1 4.29Å; F175-Y251 CarbonylContact C-O 3.57Å; F175-Y251 WeakPolarHBondContact CA-O 3.13Å; F175-A252 HydrophobicContact CD1-CB 4.07Å; F175-A252 HydrophobicContact CE1-CB 3.94Å; F175-K253 WeakPolarHBondContact O-CE 3.48Å; F175-N285 HydrophobicContact CE1-CB 4.24Å; F175-N285 HydrophobicContact CZ-CB 4.06Å |
| 176 | D | 95 | Very high | 89.7 | Confident | 71 Ų | 71 | 54.8 Ų | 54.8 | 38% | 0.38 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.8 | 162.6 | -70 | -49.4 | 0 | 0 | 0 | 108.6 | I178 Y251 K253 | D176-I178 HydrophobicContact CB-CG2 3.73Å; D176-I178 PolarHBondContact O-N 3.3Å; D176-Y251 PolarHBondContact N-O 3.15Å; D176-Y251 PolarHBondContact O-N 2.84Å; D176-K253 WeakPolarHBondContact OD1-CE 3.46Å; D176-K253 IonicContact OD1-NZ 3.9Å; D176-K253 PolarHBondContact OD1-NZ 3.43Å; D176-K253 WeakPolarHBondContact OD2-CE 3.44Å; D176-K253 WeakPolarHBondContact OD2-CG 3.34Å; D176-K253 IonicContact OD2-NZ 2.87Å |
| 177 | H | 95.5 | Very high | 89.3 | Confident | 79 Ų | 79 | 49.4 Ų | 49.4 | 37% | 0.366 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 105.2 | 170.3 | -172.5 | -156.8 | 0 | 0 | 0 | 107.7 | V225 D248 I249 Y250 | H177-V225 HydrophobicContact CB-CG2 4.48Å; H177-V225 WeakPolarHBondContact O-CG2 3.26Å; H177-D248 IonicContact CD2-OD2 3.95Å; H177-D248 IonicContact CE1-OD2 3.81Å; H177-D248 IonicContact NE2-OD2 3.23Å; H177-D248 PolarHBondContact NE2-OD2 2.88Å; H177-I249 WeakPolarHBondContact CA-O 3.29Å; H177-I249 PolarHBondContact CD2-O 2.63Å; H177-Y250 HydrophobicContact CB-CD1 4.2Å; H177-Y250 HydrophobicContact CB-CE1 4Å |
| 178 | I | 96 | Very high | 89.4 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.4 | -172.5 | 63.4 | 167.1 | 0 | 0 | 0 | 111.1 | D176 H222 C223 D248 I249 Y251 | D176-I178 HydrophobicContact CB-CG2 3.73Å; D176-I178 PolarHBondContact O-N 3.3Å; I178-H222 HydrophobicContact CD1-CB 3.98Å; I178-H222 WeakPolarHBondContact CD1-ND1 3.42Å; I178-C223 WeakPolarHBondContact CA-O 3.37Å; I178-C223 WeakPolarHBondContact CB-O 3.47Å; I178-D248 CarbonylContact O-C 3.58Å; I178-D248 VanDerWaalsContact O-CA 3.28Å; I178-D248 WeakPolarHBondContact O-CA 3.34Å; I178-I249 HydrophobicContact CD1-CD1 4.27Å; I178-I249 HydrophobicContact CD1-CG1 4.23Å; I178-I249 HydrophobicContact CG1-CD1 4.28Å; I178-I249 HydrophobicContact CG1-CG1 3.7Å; I178-I249 PolarHBondContact N-O 3.39Å; I178-I249 PolarHBondContact O-N 2.62Å; I178-Y251 HydrophobicContact CD1-CD2 4.12Å; I178-Y251 HydrophobicContact CD1-CG 3.97Å |
| 179 | G | 96.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 139.9 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | H222 C223 I228 | G179-H222 CarbonylContact O-C 3.57Å; G179-H222 WeakPolarHBondContact O-CA 3.45Å; G179-C223 PolarHBondContact N-O 3.09Å; G179-C223 PolarHBondContact O-N 3.5Å; G179-I228 VanDerWaalsContact CA-CD1 3.46Å; G179-I228 VanDerWaalsContact CA-CG1 3.45Å |
| 180 | L | 96 | Very high | 89.2 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.5 | 177.7 | -169.8 | 77.5 | 0 | 0 | 0 | 109.2 | H220 F221 H222 T246 Q247 I249 | L180-H220 HydrophobicContact CD1-CB 3.7Å; L180-H220 HydrophobicContact CG-CB 4.49Å; L180-F221 WeakPolarHBondContact CA-O 3.45Å; L180-H222 WeakPolarHBondContact CD1-CD2 3.06Å; L180-H222 WeakPolarHBondContact CD1-NE2 3.29Å; L180-T246 WeakPolarHBondContact O-CA 3.48Å; L180-Q247 WeakPolarHBondContact CA-O 3.3Å; L180-Q247 HydrophobicContact CB-CG 3.97Å; L180-Q247 WeakPolarHBondContact CB-O 3.33Å; L180-Q247 HydrophobicContact CD2-CG 4.01Å; L180-Q247 PolarHBondContact N-O 3.15Å; L180-Q247 PolarHBondContact O-N 3.28Å; L180-I249 HydrophobicContact CB-CD1 4.4Å; L180-I249 HydrophobicContact CB-CG1 4.46Å; L180-I249 HydrophobicContact CD1-CD1 4.36Å; L180-I249 HydrophobicContact CD2-CD1 4.34Å |
| 181 | V | 96.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 121.6 | 174 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | F221 I228 L231 L235 V243 T246 | V181-F221 HydrophobicContact CB-CB 4.35Å; V181-F221 PolarHBondContact N-O 2.82Å; V181-F221 PolarHBondContact O-N 3.1Å; V181-I228 HydrophobicContact CG2-CG2 4.25Å; V181-L231 HydrophobicContact CB-CD2 3.71Å; V181-L231 HydrophobicContact CG1-CD2 3.93Å; V181-L231 HydrophobicContact CG2-CD2 3.69Å; V181-L235 HydrophobicContact CG1-CD1 3.73Å; V181-V243 HydrophobicContact CG1-CG1 3.72Å; V181-V243 HydrophobicContact CG1-CG2 3.92Å; V181-T246 HydrophobicContact CB-CG2 4.43Å; V181-T246 HydrophobicContact CG1-CG2 4.11Å; V181-T246 HydrophobicContact CG2-CG2 3.96Å |
| 182 | T | 94.8 | Very high | 88.9 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 9% | 0.086 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.7 | -174.2 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | T218 Y219 H220 I244 N245 | T182-T218 HydrophobicContact CG2-CG2 4.31Å; T182-Y219 WeakPolarHBondContact CA-O 3.27Å; T182-H220 VanDerWaalsContact CG2-CE1 3.49Å; T182-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T182-H220 PolarHBondContact OG1-CE1 3.26Å; T182-H220 PolarHBondContact OG1-ND1 3.14Å; T182-I244 HydrophobicContact CG2-CB 4.49Å; T182-I244 HydrophobicContact CG2-CD1 4.44Å; T182-I244 WeakPolarHBondContact O-CB 3.39Å; T182-I244 PolarHBondContact O-N 2.99Å; T182-N245 PolarHBondContact N-O 3.11Å |
| 183 | V | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 155.5 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | L191 T218 Y219 F221 L235 I241 V243 | V183-L191 HydrophobicContact CB-CD1 4.48Å; V183-L191 HydrophobicContact CG2-CD1 3.69Å; V183-T218 CarbonylContact O-C 3.59Å; V183-T218 VanDerWaalsContact O-CA 3.25Å; V183-T218 WeakPolarHBondContact O-CA 3.32Å; V183-T218 WeakPolarHBondContact O-CB 3.49Å; V183-Y219 PolarHBondContact N-O 3.08Å; V183-Y219 PolarHBondContact O-N 2.96Å; V183-F221 HydrophobicContact CG2-CD2 4.15Å; V183-F221 HydrophobicContact CG2-CE2 3.54Å; V183-L235 HydrophobicContact CG1-CD1 3.93Å; V183-I241 HydrophobicContact CB-CG2 4.01Å; V183-I241 HydrophobicContact CG1-CG2 3.94Å; V183-I241 HydrophobicContact CG2-CG2 4.49Å; V183-V243 HydrophobicContact CG1-CG2 4.06Å |
| 184 | S | 91.4 | Very high | 88.7 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 137.6 | 173 | 177.4 | 0 | 0 | 0 | 0 | 110.2 | K186 S187 L191 | S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 PolarHBondContact OG-N 3.27Å; S184-S187 WeakPolarHBondContact CB-OG 3.44Å; S184-S187 WeakPolarHBondContact O-CB 3.37Å; S184-S187 PolarHBondContact O-N 3.19Å; S184-S187 PolarHBondContact O-OG 3.11Å; S184-L191 WeakPolarHBondContact O-CD1 3.33Å |
| 185 | A | 86.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q217 Y219 | A185-Q217 HydrophobicContact CB-CB 3.93Å; A185-Q217 WeakPolarHBondContact CB-O 3.47Å; A185-Q217 PolarHBondContact N-O 2.85Å; A185-Y219 HydrophobicContact CB-CD2 3.78Å; A185-Y219 HydrophobicContact CB-CE2 3.42Å; A185-Y219 VanDerWaalsContact CB-CE2 3.42Å |
| 186 | K | 83.2 | Confident | 88.4 | Confident | 157 Ų | 157 | 54.4 Ų | 54.4 | 68% | 0.683 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.3 | -178.8 | -61.8 | 176.9 | -173.6 | 165.4 | 0 | 113.4 | S184 S188 | S184-K186 PolarHBondContact O-N 3.42Å; S184-K186 PolarHBondContact OG-N 3.27Å; K186-S188 VanDerWaalsContact C-N 3.34Å; K186-S188 PolarHBondContact O-N 3.36Å |
| 187 | S | 77 | Confident | 88.3 | Confident | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -69.8 | -28.3 | -172.7 | -73.3 | 0 | 0 | 0 | 0 | 113.9 | S184 | S184-S187 WeakPolarHBondContact CB-OG 3.44Å; S184-S187 WeakPolarHBondContact O-CB 3.37Å; S184-S187 PolarHBondContact O-N 3.19Å; S184-S187 PolarHBondContact O-OG 3.11Å |
| 188 | S | 75.5 | Confident | 88.3 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | trans | -153.1 | 153.2 | -171 | -175.6 | 0 | 0 | 0 | 0 | 113 | K186 H190 L191 | K186-S188 VanDerWaalsContact C-N 3.34Å; K186-S188 PolarHBondContact O-N 3.36Å; S188-H190 PolarHBondContact O-N 3.2Å; S188-H190 PolarHBondContact OG-CD2 2.99Å; S188-H190 PolarHBondContact OG-N 3.13Å; S188-L191 PolarHBondContact O-N 2.9Å | ||
| 189 | K | 75.4 | Confident | 88.2 | Confident | 195 Ų | 195 | 53.1 Ų | 53.1 | 85% | 0.848 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -63.7 | -24.3 | 171.1 | -68.3 | -176.1 | 179.9 | 179.6 | 0 | 112.6 | L191 | K189-L191 PolarHBondContact O-N 3.37Š|
| 190 | H | 76.5 | Confident | 88.1 | Confident | 101 Ų | 101 | 53.4 Ų | 53.4 | 47% | 0.468 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -69.8 | -10.5 | 176.3 | -66.5 | -76.2 | 0 | 0 | 0 | 113.4 | S188 A196 L200 I241 | S188-H190 PolarHBondContact O-N 3.2Å; S188-H190 PolarHBondContact OG-CD2 2.99Å; S188-H190 PolarHBondContact OG-N 3.13Å; H190-A196 CarbonylContact O-C 3.52Å; H190-A196 WeakPolarHBondContact O-CB 3.32Å; H190-L200 HydrophobicContact CB-CD2 4.38Å; H190-I241 HydrophobicContact CB-CD1 4.48Å |
| 191 | L | 82.1 | Confident | 88 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -115.4 | 28 | -177.9 | -62.8 | 177.1 | 0 | 0 | 0 | 111.7 | V183 S184 S188 K189 D193 A197 L200 Y219 F221 I241 | V183-L191 HydrophobicContact CB-CD1 4.48Å; V183-L191 HydrophobicContact CG2-CD1 3.69Å; S184-L191 WeakPolarHBondContact O-CD1 3.33Å; S188-L191 PolarHBondContact O-N 2.9Å; K189-L191 PolarHBondContact O-N 3.37Å; L191-D193 VanDerWaalsContact C-N 3.25Å; L191-D193 PolarHBondContact O-N 3.15Å; L191-A197 HydrophobicContact CD2-CB 3.72Å; L191-L200 HydrophobicContact CD2-CD2 3.9Å; L191-Y219 HydrophobicContact CB-CD2 4.06Å; L191-Y219 HydrophobicContact CB-CE2 3.81Å; L191-Y219 HydrophobicContact CD1-CD2 4.26Å; L191-Y219 HydrophobicContact CD2-CD2 4.04Å; L191-Y219 HydrophobicContact CD2-CE2 4.39Å; L191-Y219 HydrophobicContact CG-CD2 4.35Å; L191-Y219 WeakPolarHBondContact O-CE2 3.42Å; L191-Y219 PolarHBondContact O-OH 3.3Å; L191-F221 HydrophobicContact CD2-CE2 4.42Å; L191-F221 HydrophobicContact CD2-CZ 3.93Å; L191-I241 HydrophobicContact CD1-CD1 4.08Å; L191-I241 HydrophobicContact CD1-CG2 4.02Å; L191-I241 HydrophobicContact CG-CD1 4.16Å |
| 192 | S | 81.7 | Confident | 87.9 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 64% | 0.643 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -58.3 | -36.6 | -174.1 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 193 | D | 88 | Confident | 87.8 | Confident | 77 Ų | 77 | 64.2 Ų | 64.2 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -148.3 | 172.8 | 179.5 | 58.3 | 6.8 | 0 | 0 | 0 | 110 | L191 D195 A196 A197 Y219 | L191-D193 VanDerWaalsContact C-N 3.25Å; L191-D193 PolarHBondContact O-N 3.15Å; D193-D195 VanDerWaalsContact C-N 3.28Å; D193-D195 PolarHBondContact O-N 2.67Å; D193-A196 PolarHBondContact O-N 2.97Å; D193-A196 WeakPolarHBondContact OD1-CB 3.48Å; D193-A196 PolarHBondContact OD1-N 3.39Å; D193-A197 PolarHBondContact O-N 3.12Å; D193-A197 VanDerWaalsContact O-N 3.07Å; D193-Y219 WeakPolarHBondContact CA-OH 3.46Å; D193-Y219 PolarHBondContact O-OH 2.94Å |
| 194 | L | 90.5 | Very high | 87.7 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 38% | 0.382 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | -179.2 | -179.2 | 61.5 | 0 | 0 | 0 | 110.9 | A196 A197 T198 V209 L211 Y219 | L194-A196 PolarHBondContact O-N 2.89Å; L194-A197 PolarHBondContact O-N 2.79Å; L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.34Å; L194-T198 PolarHBondContact O-OG1 3.4Å; L194-V209 HydrophobicContact CD1-CG1 4.39Å; L194-L211 HydrophobicContact CD1-CB 4.35Å; L194-Y219 HydrophobicContact CD1-CD1 4.36Å; L194-Y219 HydrophobicContact CD1-CE1 3.94Å; L194-Y219 PolarHBondContact N-OH 3.5Å |
| 195 | D | 93 | Very high | 87.8 | Confident | 114 Ų | 114 | 66 Ų | 66 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | -179.8 | -67.9 | -17.5 | 0 | 0 | 0 | 112 | D193 T198 N199 | D193-D195 VanDerWaalsContact C-N 3.28Å; D193-D195 PolarHBondContact O-N 2.67Å; D195-T198 PolarHBondContact O-N 3.18Å; D195-N199 VanDerWaalsContact O-CG 3.3Å; D195-N199 PolarHBondContact O-N 3.46Å; D195-N199 PolarHBondContact O-ND2 3.07Å; D195-N199 VanDerWaalsContact O-ND2 3.09Å |
| 196 | A | 92 | Very high | 88.1 | Confident | 24 Ų | 24 | 66 Ų | 66 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H190 D193 L194 N199 L200 | H190-A196 CarbonylContact O-C 3.52Å; H190-A196 WeakPolarHBondContact O-CB 3.32Å; D193-A196 PolarHBondContact O-N 2.97Å; D193-A196 WeakPolarHBondContact OD1-CB 3.48Å; D193-A196 PolarHBondContact OD1-N 3.39Å; L194-A196 PolarHBondContact O-N 2.89Å; A196-N199 PolarHBondContact O-N 3.47Å; A196-L200 WeakPolarHBondContact O-CB 3.44Å; A196-L200 PolarHBondContact O-N 3.36Å |
| 197 | A | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L191 D193 L194 L200 G201 V209 Y219 F221 | L191-A197 HydrophobicContact CD2-CB 3.72Å; D193-A197 PolarHBondContact O-N 3.12Å; D193-A197 VanDerWaalsContact O-N 3.07Å; L194-A197 PolarHBondContact O-N 2.79Å; A197-L200 PolarHBondContact O-N 3.34Å; A197-G201 PolarHBondContact O-N 3.39Å; A197-V209 HydrophobicContact CB-CG1 3.98Å; A197-Y219 HydrophobicContact CB-CD1 3.79Å; A197-Y219 HydrophobicContact CB-CD2 4.18Å; A197-Y219 HydrophobicContact CB-CE1 3.68Å; A197-Y219 HydrophobicContact CB-CE2 4.09Å; A197-Y219 HydrophobicContact CB-CG 4.04Å; A197-F221 HydrophobicContact CB-CZ 4.44Å; A197-F221 WeakPolarHBondContact O-CE1 3.4Å |
| 198 | T | 94.6 | Very high | 89.5 | Confident | 44 Ų | 44 | 67.4 Ų | 67.4 | 27% | 0.27 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.7 | -43.7 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | L194 D195 L200 G201 I202 | L194-T198 WeakPolarHBondContact O-CB 3.45Å; L194-T198 PolarHBondContact O-N 3.34Å; L194-T198 PolarHBondContact O-OG1 3.4Å; D195-T198 PolarHBondContact O-N 3.18Å; T198-L200 PolarHBondContact O-N 3.1Å; T198-G201 WeakPolarHBondContact O-CA 3.32Å; T198-G201 PolarHBondContact O-N 2.76Å; T198-G201 VanDerWaalsContact O-N 3.16Å; T198-I202 HydrophobicContact CG2-CD1 4.24Å; T198-I202 WeakPolarHBondContact O-CG1 3.42Å; T198-I202 PolarHBondContact O-N 2.62Å |
| 199 | N | 94.8 | Very high | 90.4 | Very high | 98 Ų | 98 | 66.3 Ų | 66.3 | 52% | 0.524 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 175.6 | -72.9 | -37 | 0 | 0 | 0 | 111.7 | D195 A196 G201 I202 E203 | D195-N199 VanDerWaalsContact O-CG 3.3Å; D195-N199 PolarHBondContact O-N 3.46Å; D195-N199 PolarHBondContact O-ND2 3.07Å; D195-N199 VanDerWaalsContact O-ND2 3.09Å; A196-N199 PolarHBondContact O-N 3.47Å; N199-G201 VanDerWaalsContact C-N 3.3Å; N199-G201 PolarHBondContact O-N 3.01Å; N199-I202 PolarHBondContact O-N 3.06Å; N199-E203 WeakPolarHBondContact O-CG 3.32Å; N199-E203 PolarHBondContact O-N 3.47Å; N199-E203 VanDerWaalsContact O-N 3.14Å |
| 200 | L | 93.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 173.6 | 176.2 | 64.3 | 0 | 0 | 0 | 111.3 | H190 L191 A196 A197 T198 I202 E203 I204 F221 L235 Y239 I241 | H190-L200 HydrophobicContact CB-CD2 4.38Å; L191-L200 HydrophobicContact CD2-CD2 3.9Å; A196-L200 WeakPolarHBondContact O-CB 3.44Å; A196-L200 PolarHBondContact O-N 3.36Å; A197-L200 PolarHBondContact O-N 3.34Å; T198-L200 PolarHBondContact O-N 3.1Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 3.17Å; L200-E203 PolarHBondContact O-N 2.75Å; L200-I204 HydrophobicContact CD1-CG2 4.21Å; L200-I204 WeakPolarHBondContact O-CG1 3.49Å; L200-I204 PolarHBondContact O-N 3.49Å; L200-I204 VanDerWaalsContact O-N 3.08Å; L200-F221 HydrophobicContact CD2-CZ 4.48Å; L200-L235 HydrophobicContact CD2-CD2 4.08Å; L200-Y239 HydrophobicContact CD1-CD1 3.63Å; L200-Y239 HydrophobicContact CD1-CD2 3.72Å; L200-Y239 HydrophobicContact CD1-CE1 3.45Å; L200-Y239 VanDerWaalsContact CD1-CE1 3.45Å; L200-Y239 HydrophobicContact CD1-CE2 3.54Å; L200-Y239 HydrophobicContact CD1-CG 3.76Å; L200-I241 HydrophobicContact CD2-CD1 3.67Å |
| 201 | G | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -54.4 | -48.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | A197 T198 N199 E203 I204 G205 A206 | A197-G201 PolarHBondContact O-N 3.39Å; T198-G201 WeakPolarHBondContact O-CA 3.32Å; T198-G201 PolarHBondContact O-N 2.76Å; T198-G201 VanDerWaalsContact O-N 3.16Å; N199-G201 VanDerWaalsContact C-N 3.3Å; N199-G201 PolarHBondContact O-N 3.01Å; G201-E203 VanDerWaalsContact C-N 3.33Å; G201-E203 PolarHBondContact O-N 2.96Å; G201-I204 WeakPolarHBondContact O-CG1 3.39Å; G201-I204 PolarHBondContact O-N 3.24Å; G201-G205 PolarHBondContact O-N 2.89Å; G201-A206 WeakPolarHBondContact O-CB 3.49Å; G201-A206 PolarHBondContact O-N 2.92Å |
| 202 | I | 94.4 | Very high | 92.1 | Very high | 118 Ų | 118 | 59.8 Ų | 59.8 | 61% | 0.605 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.1 | -43.3 | 177.8 | -67.1 | 163.8 | 0 | 0 | 0 | 111.1 | T198 N199 L200 I204 G205 | T198-I202 HydrophobicContact CG2-CD1 4.24Å; T198-I202 WeakPolarHBondContact O-CG1 3.42Å; T198-I202 PolarHBondContact O-N 2.62Å; N199-I202 PolarHBondContact O-N 3.06Å; L200-I202 VanDerWaalsContact C-N 3.33Å; L200-I202 PolarHBondContact O-N 3.17Å; I202-I204 VanDerWaalsContact C-N 3.32Å; I202-I204 PolarHBondContact O-N 3.23Å; I202-G205 PolarHBondContact O-N 3.36Å |
| 203 | E | 92.9 | Very high | 91.7 | Very high | 135 Ų | 135 | 61.4 Ų | 61.4 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.4 | -34.3 | 179.8 | -70.5 | 177.4 | 177.3 | 0 | 0 | 113.1 | N199 L200 G201 Y239 | N199-E203 WeakPolarHBondContact O-CG 3.32Å; N199-E203 PolarHBondContact O-N 3.47Å; N199-E203 VanDerWaalsContact O-N 3.14Å; L200-E203 PolarHBondContact O-N 2.75Å; G201-E203 VanDerWaalsContact C-N 3.33Å; G201-E203 PolarHBondContact O-N 2.96Å; E203-Y239 PolarHBondContact OE2-OH 2.79Å |
| 204 | I | 92.6 | Very high | 90.6 | Very high | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 4 | -179.5 | 69.8 | -177.1 | 0 | 0 | 0 | 114 | L200 G201 I202 F221 L231 L235 Y239 | L200-I204 HydrophobicContact CD1-CG2 4.21Å; L200-I204 WeakPolarHBondContact O-CG1 3.49Å; L200-I204 PolarHBondContact O-N 3.49Å; L200-I204 VanDerWaalsContact O-N 3.08Å; G201-I204 WeakPolarHBondContact O-CG1 3.39Å; G201-I204 PolarHBondContact O-N 3.24Å; I202-I204 VanDerWaalsContact C-N 3.32Å; I202-I204 PolarHBondContact O-N 3.23Å; I204-F221 HydrophobicContact CD1-CD1 4.18Å; I204-F221 HydrophobicContact CD1-CE1 4.33Å; I204-L231 HydrophobicContact CD1-CD1 4.36Å; I204-L231 HydrophobicContact CD1-CD2 3.91Å; I204-L231 HydrophobicContact CD1-CG 3.85Å; I204-L231 HydrophobicContact CG1-CD1 4.27Å; I204-L231 HydrophobicContact CG1-CG 4.07Å; I204-L235 HydrophobicContact CD1-CD1 4.3Å; I204-L235 HydrophobicContact CD1-CD2 3.62Å; I204-L235 HydrophobicContact CD1-CG 3.79Å; I204-Y239 HydrophobicContact CG2-CD2 4.09Å; I204-Y239 HydrophobicContact CG2-CE2 3.44Å; I204-Y239 VanDerWaalsContact CG2-CE2 3.44Å |
| 205 | G | 92 | Very high | 89.5 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 41% | 0.412 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | 19.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | G201 I202 | G201-G205 PolarHBondContact O-N 2.89Å; I202-G205 PolarHBondContact O-N 3.36Å |
| 206 | A | 94.6 | Very high | 88.5 | Confident | 12 Ų | 12 | 66.6 Ų | 66.6 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | trans | -68.8 | 137.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G201 V209 F221 H222 L231 | G201-A206 WeakPolarHBondContact O-CB 3.49Å; G201-A206 PolarHBondContact O-N 2.92Å; A206-V209 HydrophobicContact CB-CG2 4.45Å; A206-F221 HydrophobicContact CB-CB 4.23Å; A206-F221 HydrophobicContact CB-CD1 3.85Å; A206-H222 CarbonylContact C-O 3.53Å; A206-H222 VanDerWaalsContact CA-O 3.32Å; A206-H222 WeakPolarHBondContact CA-O 3.39Å; A206-L231 HydrophobicContact CB-CD1 3.89Å | ||
| 207 | K | 94.3 | Very high | 88.2 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -78.2 | -33.8 | 175.3 | -71 | -171.6 | 173.9 | -178.3 | 0 | 113.2 | H222 E224 | K207-H222 PolarHBondContact N-O 3.02Å; K207-E224 HydrophobicContact CD-CG 4.47Å; K207-E224 WeakPolarHBondContact CE-OE1 3.31Å; K207-E224 IonicContact NZ-OE1 2.71Å; K207-E224 PolarHBondContact NZ-OE1 3.31Å |
| 208 | E | 94.7 | Very high | 88.1 | Confident | 100 Ų | 100 | 71 Ų | 71 | 47% | 0.467 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.3 | -177 | -173.4 | 58.8 | -93.7 | 0 | 0 | 109.4 | E210 H222 | E208-E210 HydrophobicContact CG-CG 4.35Å; E208-H222 HydrophobicContact CB-CB 3.96Å; E208-H222 PolarHBondContact O-N 3.42Å |
| 209 | V | 94.8 | Very high | 88.1 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 116.9 | 176.1 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | L194 A197 A206 Y219 H220 F221 | L194-V209 HydrophobicContact CD1-CG1 4.39Å; A197-V209 HydrophobicContact CB-CG1 3.98Å; A206-V209 HydrophobicContact CB-CG2 4.45Å; V209-Y219 HydrophobicContact CG1-CD1 4.03Å; V209-H220 WeakPolarHBondContact CA-O 3.39Å; V209-F221 HydrophobicContact CG1-CD1 4.39Å; V209-F221 HydrophobicContact CG1-CE1 4.11Å; V209-F221 HydrophobicContact CG1-CZ 4.21Å; V209-F221 HydrophobicContact CG2-CD1 3.57Å; V209-F221 HydrophobicContact CG2-CE1 3.64Å; V209-F221 HydrophobicContact CG2-CG 4.42Å |
| 210 | E | 92.9 | Very high | 88.1 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140 | 178.3 | -64.3 | -177 | -178.2 | 0 | 0 | 111.2 | E208 Y219 H220 H222 Y251 | E208-E210 HydrophobicContact CG-CG 4.35Å; E210-Y219 CarbonylContact O-C 3.49Å; E210-Y219 WeakPolarHBondContact O-CA 3.34Å; E210-H220 HydrophobicContact CB-CB 4.33Å; E210-H220 PolarHBondContact N-O 3.33Å; E210-H220 PolarHBondContact O-N 2.93Å; E210-H222 VanDerWaalsContact CD-CE1 3.4Å; E210-H222 IonicContact OE1-CE1 3.58Å; E210-H222 PolarHBondContact OE1-CE1 3.25Å; E210-H222 VanDerWaalsContact OE1-CE1 3.23Å; E210-H222 IonicContact OE2-CE1 3.36Å; E210-H222 IonicContact OE2-NE2 3.59Å; E210-Y251 VanDerWaalsContact OE1-CZ 3.29Å; E210-Y251 PolarHBondContact OE1-OH 3.21Å |
| 211 | L | 91.1 | Very high | 88.2 | Confident | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 117 | 170.9 | 178.2 | 63.1 | 0 | 0 | 0 | 110 | L194 Q217 Y219 | L194-L211 HydrophobicContact CD1-CB 4.35Å; L211-Q217 HydrophobicContact CD1-CB 4.38Å; L211-Y219 HydrophobicContact CB-CD1 4.11Å; L211-Y219 HydrophobicContact CB-CE1 3.91Å; L211-Y219 HydrophobicContact CD1-CD1 3.93Å; L211-Y219 HydrophobicContact CD1-CE1 3.66Å; L211-Y219 HydrophobicContact CD1-CE2 4.46Å; L211-Y219 HydrophobicContact CD1-CG 4.44Å; L211-Y219 HydrophobicContact CD2-CE1 4.49Å; L211-Y219 HydrophobicContact CG-CE1 4.21Å |
| 212 | S | 85.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 66.5 Ų | 66.5 | 20% | 0.203 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 130.5 | 173.8 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | S214 T218 H220 | S212-S214 PolarHBondContact O-N 3.3Å; S212-S214 VanDerWaalsContact O-N 3.08Å; S212-S214 PolarHBondContact OG-OG 2.92Å; S212-T218 WeakPolarHBondContact CB-O 3.47Å; S212-T218 WeakPolarHBondContact CB-OG1 3.43Å; S212-T218 PolarHBondContact N-O 3.45Å; S212-H220 WeakPolarHBondContact CB-NE2 3.32Å |
| 213 | S | 72.6 | Confident | 88.4 | Confident | 126 Ų | 126 | 60.9 Ų | 60.9 | 88% | 0.881 | 33% | 0.327 | S | S | * | . | trans | -76.7 | 15.6 | 179.3 | -38.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 214 | S | 65 | Low | 88.6 | Confident | 65 Ų | 65 | 58.1 Ų | 58.1 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -66 | 156.2 | 177.3 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | S212 D216 Q217 | S212-S214 PolarHBondContact O-N 3.3Å; S212-S214 VanDerWaalsContact O-N 3.08Å; S212-S214 PolarHBondContact OG-OG 2.92Å; S214-D216 PolarHBondContact O-N 3.02Å; S214-Q217 PolarHBondContact O-N 3.5Å |
| 215 | E | 67.5 | Low | 88.7 | Confident | 192 Ų | 192 | 59.6 Ų | 59.6 | 90% | 0.897 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -32 | -178.9 | -64.6 | -176 | 169.8 | 0 | 0 | 113.4 | ||
| 216 | D | 71.5 | Confident | 88.8 | Confident | 116 Ų | 116 | 64.4 Ų | 64.4 | 62% | 0.62 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -3.6 | -178.2 | -69.7 | -38.8 | 0 | 0 | 0 | 115.3 | S214 | S214-D216 PolarHBondContact O-N 3.02Š|
| 217 | Q | 85.6 | Confident | 88.8 | Confident | 98 Ų | 98 | 67 Ų | 67 | 46% | 0.458 | 35% | 0.345 | S | S | . | . | trans | 40.8 | 95.8 | -173.9 | -71 | -173.5 | -40.4 | 0 | 0 | 112.7 | A185 L211 S214 | A185-Q217 HydrophobicContact CB-CB 3.93Å; A185-Q217 WeakPolarHBondContact CB-O 3.47Å; A185-Q217 PolarHBondContact N-O 2.85Å; L211-Q217 HydrophobicContact CD1-CB 4.38Å; S214-Q217 PolarHBondContact O-N 3.5Å | ||
| 218 | T | 92 | Very high | 88.9 | Confident | 17 Ų | 17 | 61.6 Ų | 61.6 | 10% | 0.104 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.4 | 179.8 | 58.4 | 0 | 0 | 0 | 0 | 111 | T182 V183 S212 I244 | T182-T218 HydrophobicContact CG2-CG2 4.31Å; V183-T218 CarbonylContact O-C 3.59Å; V183-T218 VanDerWaalsContact O-CA 3.25Å; V183-T218 WeakPolarHBondContact O-CA 3.32Å; V183-T218 WeakPolarHBondContact O-CB 3.49Å; S212-T218 WeakPolarHBondContact CB-O 3.47Å; S212-T218 WeakPolarHBondContact CB-OG1 3.43Å; S212-T218 PolarHBondContact N-O 3.45Å; T218-I244 HydrophobicContact CG2-CD1 4.01Å |
| 219 | Y | 94.1 | Very high | 88.9 | Confident | 8 Ų | 8 | 61.2 Ų | 61.2 | 3% | 0.031 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 140 | 168.6 | -69.4 | -71.9 | 0 | 0 | 0 | 110.2 | T182 V183 A185 L191 D193 L194 A197 V209 E210 L211 | T182-Y219 WeakPolarHBondContact CA-O 3.27Å; V183-Y219 PolarHBondContact N-O 3.08Å; V183-Y219 PolarHBondContact O-N 2.96Å; A185-Y219 HydrophobicContact CB-CD2 3.78Å; A185-Y219 HydrophobicContact CB-CE2 3.42Å; A185-Y219 VanDerWaalsContact CB-CE2 3.42Å; L191-Y219 HydrophobicContact CB-CD2 4.06Å; L191-Y219 HydrophobicContact CB-CE2 3.81Å; L191-Y219 HydrophobicContact CD1-CD2 4.26Å; L191-Y219 HydrophobicContact CD2-CD2 4.04Å; L191-Y219 HydrophobicContact CD2-CE2 4.39Å; L191-Y219 HydrophobicContact CG-CD2 4.35Å; L191-Y219 WeakPolarHBondContact O-CE2 3.42Å; L191-Y219 PolarHBondContact O-OH 3.3Å; D193-Y219 WeakPolarHBondContact CA-OH 3.46Å; D193-Y219 PolarHBondContact O-OH 2.94Å; L194-Y219 HydrophobicContact CD1-CD1 4.36Å; L194-Y219 HydrophobicContact CD1-CE1 3.94Å; L194-Y219 PolarHBondContact N-OH 3.5Å; A197-Y219 HydrophobicContact CB-CD1 3.79Å; A197-Y219 HydrophobicContact CB-CD2 4.18Å; A197-Y219 HydrophobicContact CB-CE1 3.68Å; A197-Y219 HydrophobicContact CB-CE2 4.09Å; A197-Y219 HydrophobicContact CB-CG 4.04Å; V209-Y219 HydrophobicContact CG1-CD1 4.03Å; E210-Y219 CarbonylContact O-C 3.49Å; E210-Y219 WeakPolarHBondContact O-CA 3.34Å; L211-Y219 HydrophobicContact CB-CD1 4.11Å; L211-Y219 HydrophobicContact CB-CE1 3.91Å; L211-Y219 HydrophobicContact CD1-CD1 3.93Å; L211-Y219 HydrophobicContact CD1-CE1 3.66Å; L211-Y219 HydrophobicContact CD1-CE2 4.46Å; L211-Y219 HydrophobicContact CD1-CG 4.44Å; L211-Y219 HydrophobicContact CD2-CE1 4.49Å; L211-Y219 HydrophobicContact CG-CE1 4.21Å |
| 220 | H | 94.3 | Very high | 88.9 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 17% | 0.167 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 110.7 | 177 | -69.1 | -48.6 | 0 | 0 | 0 | 108.9 | L180 T182 V209 E210 S212 | L180-H220 HydrophobicContact CD1-CB 3.7Å; L180-H220 HydrophobicContact CG-CB 4.49Å; T182-H220 VanDerWaalsContact CG2-CE1 3.49Å; T182-H220 WeakPolarHBondContact CG2-CE1 3.38Å; T182-H220 PolarHBondContact OG1-CE1 3.26Å; T182-H220 PolarHBondContact OG1-ND1 3.14Å; V209-H220 WeakPolarHBondContact CA-O 3.39Å; E210-H220 HydrophobicContact CB-CB 4.33Å; E210-H220 PolarHBondContact N-O 3.33Å; E210-H220 PolarHBondContact O-N 2.93Å; S212-H220 WeakPolarHBondContact CB-NE2 3.32Å |
| 221 | F | 96 | Very high | 89 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.8 | 176.3 | -67.7 | -96.6 | 0 | 0 | 0 | 109.1 | L180 V181 V183 L191 A197 L200 I204 A206 V209 L231 | L180-F221 WeakPolarHBondContact CA-O 3.45Å; V181-F221 HydrophobicContact CB-CB 4.35Å; V181-F221 PolarHBondContact N-O 2.82Å; V181-F221 PolarHBondContact O-N 3.1Å; V183-F221 HydrophobicContact CG2-CD2 4.15Å; V183-F221 HydrophobicContact CG2-CE2 3.54Å; L191-F221 HydrophobicContact CD2-CE2 4.42Å; L191-F221 HydrophobicContact CD2-CZ 3.93Å; A197-F221 HydrophobicContact CB-CZ 4.44Å; A197-F221 WeakPolarHBondContact O-CE1 3.4Å; L200-F221 HydrophobicContact CD2-CZ 4.48Å; I204-F221 HydrophobicContact CD1-CD1 4.18Å; I204-F221 HydrophobicContact CD1-CE1 4.33Å; A206-F221 HydrophobicContact CB-CB 4.23Å; A206-F221 HydrophobicContact CB-CD1 3.85Å; V209-F221 HydrophobicContact CG1-CD1 4.39Å; V209-F221 HydrophobicContact CG1-CE1 4.11Å; V209-F221 HydrophobicContact CG1-CZ 4.21Å; V209-F221 HydrophobicContact CG2-CD1 3.57Å; V209-F221 HydrophobicContact CG2-CE1 3.64Å; V209-F221 HydrophobicContact CG2-CG 4.42Å; F221-L231 HydrophobicContact CB-CD1 4.41Å; F221-L231 HydrophobicContact CB-CD2 3.99Å; F221-L231 HydrophobicContact CG-CD2 4.5Å |
| 222 | H | 96.5 | Very high | 89.2 | Confident | 12 Ų | 12 | 61.4 Ų | 61.4 | 6% | 0.056 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 135.5 | 178.3 | -64.9 | -170.2 | 0 | 0 | 0 | 109.2 | I178 G179 L180 A206 K207 E208 E210 Y251 | I178-H222 HydrophobicContact CD1-CB 3.98Å; I178-H222 WeakPolarHBondContact CD1-ND1 3.42Å; G179-H222 CarbonylContact O-C 3.57Å; G179-H222 WeakPolarHBondContact O-CA 3.45Å; L180-H222 WeakPolarHBondContact CD1-CD2 3.06Å; L180-H222 WeakPolarHBondContact CD1-NE2 3.29Å; A206-H222 CarbonylContact C-O 3.53Å; A206-H222 VanDerWaalsContact CA-O 3.32Å; A206-H222 WeakPolarHBondContact CA-O 3.39Å; K207-H222 PolarHBondContact N-O 3.02Å; E208-H222 HydrophobicContact CB-CB 3.96Å; E208-H222 PolarHBondContact O-N 3.42Å; E210-H222 VanDerWaalsContact CD-CE1 3.4Å; E210-H222 IonicContact OE1-CE1 3.58Å; E210-H222 PolarHBondContact OE1-CE1 3.25Å; E210-H222 VanDerWaalsContact OE1-CE1 3.23Å; E210-H222 IonicContact OE2-CE1 3.36Å; E210-H222 IonicContact OE2-NE2 3.59Å; H222-Y251 AromaticContact CE1-CD2 3.85Å; H222-Y251 AromaticContact CE1-CE2 3.55Å |
| 223 | C | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 177.8 | 177.2 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | I178 G179 E227 L231 | I178-C223 WeakPolarHBondContact CA-O 3.37Å; I178-C223 WeakPolarHBondContact CB-O 3.47Å; G179-C223 PolarHBondContact N-O 3.09Å; G179-C223 PolarHBondContact O-N 3.5Å; C223-E227 HydrophobicContact CB-CB 4.25Å; C223-L231 HydrophobicContact CB-CD1 3.78Å |
| 224 | E | 95.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 149.5 | 167.1 | -58 | -160.6 | 179.5 | 0 | 0 | 110.7 | K207 H226 E227 | K207-E224 HydrophobicContact CD-CG 4.47Å; K207-E224 WeakPolarHBondContact CE-OE1 3.31Å; K207-E224 IonicContact NZ-OE1 2.71Å; K207-E224 PolarHBondContact NZ-OE1 3.31Å; E224-H226 PolarHBondContact O-N 3.06Å; E224-H226 VanDerWaalsContact O-N 3.12Å; E224-H226 IonicContact OE2-CE1 3.76Å; E224-H226 PolarHBondContact OE2-CE1 3.21Å; E224-H226 IonicContact OE2-ND1 3.58Å; E224-E227 HydrophobicContact CB-CG 4.13Å; E224-E227 WeakPolarHBondContact CB-OE2 3.38Å; E224-E227 PolarHBondContact N-OE2 3.4Å; E224-E227 VanDerWaalsContact N-OE2 3.14Å; E224-E227 WeakPolarHBondContact O-CB 3.38Å; E224-E227 PolarHBondContact O-N 3.02Å |
| 225 | V | 94.9 | Very high | 92 | Very high | 51 Ų | 51 | 56.5 Ų | 56.5 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -57.1 | -34.6 | -174.6 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | H177 E227 I228 D248 | H177-V225 HydrophobicContact CB-CG2 4.48Å; H177-V225 WeakPolarHBondContact O-CG2 3.26Å; V225-E227 VanDerWaalsContact C-N 3.27Å; V225-E227 PolarHBondContact O-N 3.28Å; V225-I228 HydrophobicContact CG1-CD1 4.32Å; V225-I228 WeakPolarHBondContact O-CD1 3.41Å; V225-I228 WeakPolarHBondContact O-CG1 3.26Å; V225-D248 HydrophobicContact CG1-CB 4.03Å; V225-D248 HydrophobicContact CG2-CB 4.27Å |
| 226 | H | 94.8 | Very high | 93.3 | Very high | 141 Ų | 141 | 50.5 Ų | 50.5 | 65% | 0.653 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -79 | -9.1 | 180 | 71 | -91.3 | 0 | 0 | 0 | 113.7 | E224 | E224-H226 PolarHBondContact O-N 3.06Å; E224-H226 VanDerWaalsContact O-N 3.12Å; E224-H226 IonicContact OE2-CE1 3.76Å; E224-H226 PolarHBondContact OE2-CE1 3.21Å; E224-H226 IonicContact OE2-ND1 3.58Å |
| 227 | E | 95.3 | Very high | 94.3 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -97.6 | -8.3 | -179.7 | -63 | 176.9 | 142.6 | 0 | 0 | 112.9 | C223 E224 V225 D229 S230 L231 | C223-E227 HydrophobicContact CB-CB 4.25Å; E224-E227 HydrophobicContact CB-CG 4.13Å; E224-E227 WeakPolarHBondContact CB-OE2 3.38Å; E224-E227 PolarHBondContact N-OE2 3.4Å; E224-E227 VanDerWaalsContact N-OE2 3.14Å; E224-E227 WeakPolarHBondContact O-CB 3.38Å; E224-E227 PolarHBondContact O-N 3.02Å; V225-E227 VanDerWaalsContact C-N 3.27Å; V225-E227 PolarHBondContact O-N 3.28Å; E227-D229 VanDerWaalsContact C-N 3.27Å; E227-D229 PolarHBondContact O-N 3.02Å; E227-S230 WeakPolarHBondContact O-CB 3.21Å; E227-S230 PolarHBondContact O-N 3.12Å; E227-L231 PolarHBondContact O-N 3.02Å |
| 228 | I | 95.4 | Very high | 94.5 | Very high | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.108 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -49.4 | -48.1 | -177.4 | -67.5 | 171.5 | 0 | 0 | 0 | 111.8 | G179 V181 V225 L231 R232 T246 D248 | G179-I228 VanDerWaalsContact CA-CD1 3.46Å; G179-I228 VanDerWaalsContact CA-CG1 3.45Å; V181-I228 HydrophobicContact CG2-CG2 4.25Å; V225-I228 HydrophobicContact CG1-CD1 4.32Å; V225-I228 WeakPolarHBondContact O-CD1 3.41Å; V225-I228 WeakPolarHBondContact O-CG1 3.26Å; I228-L231 PolarHBondContact O-N 2.9Å; I228-R232 VanDerWaalsContact O-CB 3.28Å; I228-R232 WeakPolarHBondContact O-CB 3.35Å; I228-R232 PolarHBondContact O-N 3.04Å; I228-T246 HydrophobicContact CG2-CG2 4Å; I228-D248 HydrophobicContact CD1-CB 4.27Å |
| 229 | D | 94.5 | Very high | 94.4 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | -178.2 | -88.3 | -41.4 | 0 | 0 | 0 | 112.8 | E227 R232 Q233 | E227-D229 VanDerWaalsContact C-N 3.27Å; E227-D229 PolarHBondContact O-N 3.02Å; D229-R232 IonicContact OD1-CZ 2.93Å; D229-R232 IonicContact OD1-NE 2.66Å; D229-R232 PolarHBondContact OD1-NE 3.37Å; D229-R232 IonicContact OD1-NH2 3.03Å; D229-R232 PolarHBondContact OD1-NH2 3.31Å; D229-Q233 WeakPolarHBondContact O-CB 3.08Å; D229-Q233 WeakPolarHBondContact O-CG 3.48Å; D229-Q233 PolarHBondContact O-N 2.97Å |
| 230 | S | 94.7 | Very high | 94.2 | Very high | 75 Ų | 75 | 59.9 Ų | 59.9 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.6 | -43.1 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 111 | E227 Q233 S234 | E227-S230 WeakPolarHBondContact O-CB 3.21Å; E227-S230 PolarHBondContact O-N 3.12Å; S230-Q233 PolarHBondContact O-N 3.4Å; S230-S234 WeakPolarHBondContact O-CB 3.39Å; S230-S234 PolarHBondContact O-N 2.93Å; S230-S234 PolarHBondContact O-OG 3.44Å |
| 231 | L | 94.9 | Very high | 94.1 | Very high | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 178.2 | -165.1 | 150.9 | 0 | 0 | 0 | 111.2 | V181 I204 A206 F221 C223 E227 I228 Q233 S234 L235 | V181-L231 HydrophobicContact CB-CD2 3.71Å; V181-L231 HydrophobicContact CG1-CD2 3.93Å; V181-L231 HydrophobicContact CG2-CD2 3.69Å; I204-L231 HydrophobicContact CD1-CD1 4.36Å; I204-L231 HydrophobicContact CD1-CD2 3.91Å; I204-L231 HydrophobicContact CD1-CG 3.85Å; I204-L231 HydrophobicContact CG1-CD1 4.27Å; I204-L231 HydrophobicContact CG1-CG 4.07Å; A206-L231 HydrophobicContact CB-CD1 3.89Å; F221-L231 HydrophobicContact CB-CD1 4.41Å; F221-L231 HydrophobicContact CB-CD2 3.99Å; F221-L231 HydrophobicContact CG-CD2 4.5Å; C223-L231 HydrophobicContact CB-CD1 3.78Å; E227-L231 PolarHBondContact O-N 3.02Å; I228-L231 PolarHBondContact O-N 2.9Å; L231-Q233 PolarHBondContact O-N 3.3Å; L231-S234 PolarHBondContact O-N 3.46Å; L231-L235 HydrophobicContact CD2-CD1 3.56Å; L231-L235 HydrophobicContact CD2-CG 4.24Å; L231-L235 WeakPolarHBondContact O-CG 3.46Å; L231-L235 PolarHBondContact O-N 3.19Å |
| 232 | R | 95.2 | Very high | 94 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 25% | 0.249 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 174 | 179 | -177.1 | 60.1 | 80.3 | -2.4 | 111.5 | I228 D229 S234 L235 E236 V243 T246 | I228-R232 VanDerWaalsContact O-CB 3.28Å; I228-R232 WeakPolarHBondContact O-CB 3.35Å; I228-R232 PolarHBondContact O-N 3.04Å; D229-R232 IonicContact OD1-CZ 2.93Å; D229-R232 IonicContact OD1-NE 2.66Å; D229-R232 PolarHBondContact OD1-NE 3.37Å; D229-R232 IonicContact OD1-NH2 3.03Å; D229-R232 PolarHBondContact OD1-NH2 3.31Å; R232-S234 VanDerWaalsContact C-N 3.3Å; R232-S234 PolarHBondContact O-N 3.38Å; R232-L235 PolarHBondContact O-N 3.14Å; R232-E236 HydrophobicContact CG-CG 4.45Å; R232-E236 IonicContact NH1-OE2 2.98Å; R232-E236 PolarHBondContact NH1-OE2 3.44Å; R232-E236 WeakPolarHBondContact O-CG 3.42Å; R232-E236 PolarHBondContact O-N 3.31Å; R232-V243 HydrophobicContact CG-CB 4.29Å; R232-V243 HydrophobicContact CG-CG1 4.38Å; R232-V243 HydrophobicContact CG-CG2 4.06Å; R232-T246 HydrophobicContact CB-CG2 4.23Å; R232-T246 HydrophobicContact CG-CG2 4.23Å |
| 233 | Q | 95.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 179.1 | -74 | 172.5 | 37.3 | 0 | 0 | 112.4 | D229 S230 L231 N237 | D229-Q233 WeakPolarHBondContact O-CB 3.08Å; D229-Q233 WeakPolarHBondContact O-CG 3.48Å; D229-Q233 PolarHBondContact O-N 2.97Å; S230-Q233 PolarHBondContact O-N 3.4Å; L231-Q233 PolarHBondContact O-N 3.3Å; Q233-N237 WeakPolarHBondContact O-CB 3.47Å; Q233-N237 PolarHBondContact O-N 3.48Å; Q233-N237 PolarHBondContact O-ND2 3.15Å |
| 234 | S | 93.8 | Very high | 93.6 | Very high | 23 Ų | 23 | 67.4 Ų | 67.4 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -64.3 | -45.6 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | S230 L231 R232 I238 Y239 | S230-S234 WeakPolarHBondContact O-CB 3.39Å; S230-S234 PolarHBondContact O-N 2.93Å; S230-S234 PolarHBondContact O-OG 3.44Å; L231-S234 PolarHBondContact O-N 3.46Å; R232-S234 VanDerWaalsContact C-N 3.3Å; R232-S234 PolarHBondContact O-N 3.38Å; S234-I238 VanDerWaalsContact O-CB 3.24Å; S234-I238 WeakPolarHBondContact O-CB 3.4Å; S234-I238 PolarHBondContact O-N 3.37Å; S234-I238 VanDerWaalsContact O-N 3.09Å; S234-Y239 WeakPolarHBondContact O-CD2 3.41Å; S234-Y239 PolarHBondContact O-N 3.15Å |
| 235 | L | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.348 | C | S | . | . | I | π-helix | trans | -61.1 | -47.6 | 175.5 | -72.5 | 170.4 | 0 | 0 | 0 | 112.3 | V181 V183 L200 I204 L231 R232 Y239 Q240 I241 V243 | V181-L235 HydrophobicContact CG1-CD1 3.73Å; V183-L235 HydrophobicContact CG1-CD1 3.93Å; L200-L235 HydrophobicContact CD2-CD2 4.08Å; I204-L235 HydrophobicContact CD1-CD1 4.3Å; I204-L235 HydrophobicContact CD1-CD2 3.62Å; I204-L235 HydrophobicContact CD1-CG 3.79Å; L231-L235 HydrophobicContact CD2-CD1 3.56Å; L231-L235 HydrophobicContact CD2-CG 4.24Å; L231-L235 WeakPolarHBondContact O-CG 3.46Å; L231-L235 PolarHBondContact O-N 3.19Å; R232-L235 PolarHBondContact O-N 3.14Å; L235-Y239 CarbonylContact O-C 3.58Å; L235-Y239 PolarHBondContact O-N 3.21Å; L235-Q240 PolarHBondContact O-N 3.22Å; L235-I241 CarbonylContact C-O 3.45Å; L235-I241 HydrophobicContact CB-CB 4.46Å; L235-I241 HydrophobicContact CD2-CB 4.48Å; L235-I241 HydrophobicContact CD2-CD1 4.14Å; L235-I241 PolarHBondContact O-N 3.09Å; L235-V243 HydrophobicContact CB-CG2 4.09Å; L235-V243 HydrophobicContact CD1-CG2 4.04Å |
| 236 | E | 94.2 | Very high | 93.4 | Very high | 67 Ų | 67 | 67.4 Ų | 67.4 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -73.8 | -44.9 | -174.9 | -68.9 | 176.9 | 151.6 | 0 | 0 | 112.7 | R232 Q240 V243 | R232-E236 HydrophobicContact CG-CG 4.45Å; R232-E236 IonicContact NH1-OE2 2.98Å; R232-E236 PolarHBondContact NH1-OE2 3.44Å; R232-E236 WeakPolarHBondContact O-CG 3.42Å; R232-E236 PolarHBondContact O-N 3.31Å; E236-Q240 VanDerWaalsContact O-CA 3.31Å; E236-Q240 WeakPolarHBondContact O-CA 3.44Å; E236-Q240 PolarHBondContact O-N 3.4Å; E236-V243 HydrophobicContact CG-CB 4.45Å; E236-V243 HydrophobicContact CG-CG2 4Å |
| 237 | N | 93.8 | Very high | 93.3 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | I | π-helix | trans | -90.5 | -38 | -170.4 | -61.2 | -33.3 | 0 | 0 | 0 | 113.1 | Q233 | Q233-N237 WeakPolarHBondContact O-CB 3.47Å; Q233-N237 PolarHBondContact O-N 3.48Å; Q233-N237 PolarHBondContact O-ND2 3.15Å |
| 238 | I | 90.1 | Very high | 93.3 | Very high | 109 Ų | 109 | 63.3 Ų | 63.3 | 56% | 0.559 | 33% | 0.329 | S | S | * | . | I | π-helix | trans | -88.6 | -53.1 | -175.8 | -54 | 175 | 0 | 0 | 0 | 109.4 | S234 | S234-I238 VanDerWaalsContact O-CB 3.24Å; S234-I238 WeakPolarHBondContact O-CB 3.4Å; S234-I238 PolarHBondContact O-N 3.37Å; S234-I238 VanDerWaalsContact O-N 3.09Å |
| 239 | Y | 89.7 | Confident | 93.3 | Very high | 52 Ų | 52 | 63.5 Ų | 63.5 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -94 | -6.2 | -174.2 | -62.6 | -79 | 0 | 0 | 0 | 114.1 | L200 E203 I204 S234 L235 I241 | L200-Y239 HydrophobicContact CD1-CD1 3.63Å; L200-Y239 HydrophobicContact CD1-CD2 3.72Å; L200-Y239 HydrophobicContact CD1-CE1 3.45Å; L200-Y239 VanDerWaalsContact CD1-CE1 3.45Å; L200-Y239 HydrophobicContact CD1-CE2 3.54Å; L200-Y239 HydrophobicContact CD1-CG 3.76Å; E203-Y239 PolarHBondContact OE2-OH 2.79Å; I204-Y239 HydrophobicContact CG2-CD2 4.09Å; I204-Y239 HydrophobicContact CG2-CE2 3.44Å; I204-Y239 VanDerWaalsContact CG2-CE2 3.44Å; S234-Y239 WeakPolarHBondContact O-CD2 3.41Å; S234-Y239 PolarHBondContact O-N 3.15Å; L235-Y239 CarbonylContact O-C 3.58Å; L235-Y239 PolarHBondContact O-N 3.21Å; Y239-I241 PolarHBondContact O-N 3.39Å |
| 240 | Q | 90.2 | Very high | 93.3 | Very high | 160 Ų | 160 | 60.7 Ų | 60.7 | 75% | 0.748 | 31% | 0.313 | S | S | * | . | trans | 55.8 | 33.7 | -179.7 | -62.6 | 160.3 | 43.2 | 0 | 0 | 112.6 | L235 E236 | L235-Q240 PolarHBondContact O-N 3.22Å; E236-Q240 VanDerWaalsContact O-CA 3.31Å; E236-Q240 WeakPolarHBondContact O-CA 3.44Å; E236-Q240 PolarHBondContact O-N 3.4Å | ||
| 241 | I | 92.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -95.8 | 114.8 | 177.9 | -57.8 | 178.4 | 0 | 0 | 0 | 108 | V183 H190 L191 L200 L235 Y239 V243 | V183-I241 HydrophobicContact CB-CG2 4.01Å; V183-I241 HydrophobicContact CG1-CG2 3.94Å; V183-I241 HydrophobicContact CG2-CG2 4.49Å; H190-I241 HydrophobicContact CB-CD1 4.48Å; L191-I241 HydrophobicContact CD1-CD1 4.08Å; L191-I241 HydrophobicContact CD1-CG2 4.02Å; L191-I241 HydrophobicContact CG-CD1 4.16Å; L200-I241 HydrophobicContact CD2-CD1 3.67Å; L235-I241 CarbonylContact C-O 3.45Å; L235-I241 HydrophobicContact CB-CB 4.46Å; L235-I241 HydrophobicContact CD2-CB 4.48Å; L235-I241 HydrophobicContact CD2-CD1 4.14Å; L235-I241 PolarHBondContact O-N 3.09Å; Y239-I241 PolarHBondContact O-N 3.39Å; I241-V243 PolarHBondContact O-N 3.28Å | ||
| 242 | P | 92.2 | Very high | 93.4 | Very high | 76 Ų | 76 | 61.5 Ų | 61.5 | 49% | 0.494 | 31% | 0.307 | S | S | . | . | trans | -67.4 | 128.2 | 177.6 | 27.2 | -34 | 0 | 0 | 0 | 110.7 | ||||
| 243 | V | 93.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.152 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 130.1 | 174.8 | 174 | 0 | 0 | 0 | 0 | 109.6 | V181 V183 R232 L235 E236 I241 T246 | V181-V243 HydrophobicContact CG1-CG1 3.72Å; V181-V243 HydrophobicContact CG1-CG2 3.92Å; V183-V243 HydrophobicContact CG1-CG2 4.06Å; R232-V243 HydrophobicContact CG-CB 4.29Å; R232-V243 HydrophobicContact CG-CG1 4.38Å; R232-V243 HydrophobicContact CG-CG2 4.06Å; L235-V243 HydrophobicContact CB-CG2 4.09Å; L235-V243 HydrophobicContact CD1-CG2 4.04Å; E236-V243 HydrophobicContact CG-CB 4.45Å; E236-V243 HydrophobicContact CG-CG2 4Å; I241-V243 PolarHBondContact O-N 3.28Å; V243-T246 HydrophobicContact CG1-CG2 3.77Å |
| 244 | I | 92.3 | Very high | 93.3 | Very high | 105 Ų | 105 | 62.9 Ų | 62.9 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -49.9 | 178.8 | -62.3 | 172.3 | 0 | 0 | 0 | 109.8 | T182 T218 | T182-I244 HydrophobicContact CG2-CB 4.49Å; T182-I244 HydrophobicContact CG2-CD1 4.44Å; T182-I244 WeakPolarHBondContact O-CB 3.39Å; T182-I244 PolarHBondContact O-N 2.99Å; T218-I244 HydrophobicContact CG2-CD1 4.01Å |
| 245 | N | 91.7 | Very high | 93.4 | Very high | 81 Ų | 81 | 65.9 Ų | 65.9 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 154.1 | -179 | -174.2 | 32.8 | 0 | 0 | 0 | 110.8 | T182 | T182-N245 PolarHBondContact N-O 3.11Å |
| 246 | T | 94 | Very high | 93.4 | Very high | 46 Ų | 46 | 67.2 Ų | 67.2 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.8 | 170.9 | 56.8 | 0 | 0 | 0 | 0 | 109.6 | L180 V181 I228 R232 V243 | L180-T246 WeakPolarHBondContact O-CA 3.48Å; V181-T246 HydrophobicContact CB-CG2 4.43Å; V181-T246 HydrophobicContact CG1-CG2 4.11Å; V181-T246 HydrophobicContact CG2-CG2 3.96Å; I228-T246 HydrophobicContact CG2-CG2 4Å; R232-T246 HydrophobicContact CB-CG2 4.23Å; R232-T246 HydrophobicContact CG-CG2 4.23Å; V243-T246 HydrophobicContact CG1-CG2 3.77Å |
| 247 | Q | 93.5 | Very high | 93.4 | Very high | 80 Ų | 80 | 68.1 Ų | 68.1 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 153.2 | 176.1 | 58.5 | -177.6 | 4.4 | 0 | 0 | 110.5 | L180 I249 | L180-Q247 WeakPolarHBondContact CA-O 3.3Å; L180-Q247 HydrophobicContact CB-CG 3.97Å; L180-Q247 WeakPolarHBondContact CB-O 3.33Å; L180-Q247 HydrophobicContact CD2-CG 4.01Å; L180-Q247 PolarHBondContact N-O 3.15Å; L180-Q247 PolarHBondContact O-N 3.28Å; Q247-I249 HydrophobicContact CG-CG2 3.97Å |
| 248 | D | 94.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 142.1 | 163.9 | 69 | -57.5 | 0 | 0 | 0 | 109.7 | H177 I178 V225 I228 R281 | H177-D248 IonicContact CD2-OD2 3.95Å; H177-D248 IonicContact CE1-OD2 3.81Å; H177-D248 IonicContact NE2-OD2 3.23Å; H177-D248 PolarHBondContact NE2-OD2 2.88Å; I178-D248 CarbonylContact O-C 3.58Å; I178-D248 VanDerWaalsContact O-CA 3.28Å; I178-D248 WeakPolarHBondContact O-CA 3.34Å; V225-D248 HydrophobicContact CG1-CB 4.03Å; V225-D248 HydrophobicContact CG2-CB 4.27Å; I228-D248 HydrophobicContact CD1-CB 4.27Å; D248-R281 PolarHBondContact O-NH1 3.25Å; D248-R281 IonicContact OD1-CZ 3.72Å; D248-R281 IonicContact OD1-NH1 2.86Å; D248-R281 PolarHBondContact OD1-NH1 3.36Å; D248-R281 IonicContact OD1-NH2 2.84Å; D248-R281 PolarHBondContact OD1-NH2 3.07Å; D248-R281 IonicContact OD2-CZ 3.7Å; D248-R281 IonicContact OD2-NH1 2.81Å; D248-R281 IonicContact OD2-NH2 3.59Å; D248-R281 PolarHBondContact OD2-NH2 3.29Å |
| 249 | I | 95.4 | Very high | 93.6 | Very high | 25 Ų | 25 | 63.1 Ų | 63.1 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 156.6 | -179.4 | 62.3 | 169.3 | 0 | 0 | 0 | 111.2 | H177 I178 L180 Q247 Y251 F283 | H177-I249 WeakPolarHBondContact CA-O 3.29Å; H177-I249 PolarHBondContact CD2-O 2.63Å; I178-I249 HydrophobicContact CD1-CD1 4.27Å; I178-I249 HydrophobicContact CD1-CG1 4.23Å; I178-I249 HydrophobicContact CG1-CD1 4.28Å; I178-I249 HydrophobicContact CG1-CG1 3.7Å; I178-I249 PolarHBondContact N-O 3.39Å; I178-I249 PolarHBondContact O-N 2.62Å; L180-I249 HydrophobicContact CB-CD1 4.4Å; L180-I249 HydrophobicContact CB-CG1 4.46Å; L180-I249 HydrophobicContact CD1-CD1 4.36Å; L180-I249 HydrophobicContact CD2-CD1 4.34Å; Q247-I249 HydrophobicContact CG-CG2 3.97Å; I249-Y251 HydrophobicContact CD1-CD2 4.17Å; I249-F283 HydrophobicContact CB-CE1 3.84Å; I249-F283 HydrophobicContact CB-CZ 4.45Å; I249-F283 HydrophobicContact CG2-CE1 3.99Å |
| 250 | Y | 96.2 | Very high | 93.8 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 98.2 | 165.5 | -69.2 | -90.4 | 0 | 0 | 0 | 108.7 | I126 I138 F175 H177 F283 | I126-Y250 HydrophobicContact CG2-CE1 4.43Å; I126-Y250 HydrophobicContact CG2-CE2 4.09Å; I126-Y250 VanDerWaalsContact CG2-OH 3.3Å; I126-Y250 WeakPolarHBondContact CG2-OH 3.38Å; I138-Y250 HydrophobicContact CD1-CD1 3.46Å; I138-Y250 VanDerWaalsContact CD1-CD1 3.46Å; I138-Y250 HydrophobicContact CD1-CE1 4.09Å; I138-Y250 HydrophobicContact CD1-CG 3.7Å; I138-Y250 HydrophobicContact CG2-CD2 4.12Å; I138-Y250 HydrophobicContact CG2-CE2 4.25Å; I138-Y250 HydrophobicContact CG2-CG 4.31Å; F175-Y250 HydrophobicContact CB-CD1 4.29Å; H177-Y250 HydrophobicContact CB-CD1 4.2Å; H177-Y250 HydrophobicContact CB-CE1 4Å; Y250-F283 AromaticContact CD2-CD2 3.63Å; Y250-F283 HydrophobicContact CD2-CD2 3.63Å; Y250-F283 AromaticContact CD2-CE2 3.65Å; Y250-F283 HydrophobicContact CD2-CE2 3.65Å; Y250-F283 HydrophobicContact CD2-CG 4.27Å; Y250-F283 HydrophobicContact CD2-CZ 4.32Å; Y250-F283 HydrophobicContact CE2-CE2 4.37Å; Y250-F283 HydrophobicContact CG-CD2 4.29Å |
| 251 | Y | 95.2 | Very high | 93.9 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 33% | 0.325 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 128.1 | -179.8 | -170.8 | -86.1 | 0 | 0 | 0 | 110.3 | F175 D176 I178 E210 H222 I249 K253 | F175-Y251 CarbonylContact C-O 3.57Å; F175-Y251 WeakPolarHBondContact CA-O 3.13Å; D176-Y251 PolarHBondContact N-O 3.15Å; D176-Y251 PolarHBondContact O-N 2.84Å; I178-Y251 HydrophobicContact CD1-CD2 4.12Å; I178-Y251 HydrophobicContact CD1-CG 3.97Å; E210-Y251 VanDerWaalsContact OE1-CZ 3.29Å; E210-Y251 PolarHBondContact OE1-OH 3.21Å; H222-Y251 AromaticContact CE1-CD2 3.85Å; H222-Y251 AromaticContact CE1-CE2 3.55Å; I249-Y251 HydrophobicContact CD1-CD2 4.17Å; Y251-K253 PolarHBondContact O-N 3.33Å |
| 252 | A | 95.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 65.4 Ų | 65.4 | 9% | 0.091 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 126.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F175 T254 L255 N285 | F175-A252 HydrophobicContact CD1-CB 4.07Å; F175-A252 HydrophobicContact CE1-CB 3.94Å; A252-T254 VanDerWaalsContact C-N 3.3Å; A252-T254 PolarHBondContact O-N 2.92Å; A252-L255 HydrophobicContact CB-CD2 3.77Å; A252-N285 HydrophobicContact CB-CB 3.65Å |
| 253 | K | 94.6 | Very high | 94 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 40% | 0.404 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -68.3 | -31 | 177.1 | -68.2 | 176.4 | 174.3 | 174.8 | 0 | 113.2 | N172 F174 F175 D176 Y251 | N172-K253 PolarHBondContact O-NZ 2.94Å; F174-K253 PolarHBondContact O-N 3.44Å; F175-K253 WeakPolarHBondContact O-CE 3.48Å; D176-K253 WeakPolarHBondContact OD1-CE 3.46Å; D176-K253 IonicContact OD1-NZ 3.9Å; D176-K253 PolarHBondContact OD1-NZ 3.43Å; D176-K253 WeakPolarHBondContact OD2-CE 3.44Å; D176-K253 WeakPolarHBondContact OD2-CG 3.34Å; D176-K253 IonicContact OD2-NZ 2.87Å; Y251-K253 PolarHBondContact O-N 3.33Å |
| 254 | T | 93.8 | Very high | 94.1 | Very high | 96 Ų | 96 | 68.9 Ų | 68.9 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -143.7 | 116.6 | -179.2 | -56.1 | 0 | 0 | 0 | 0 | 108.4 | A252 N285 | A252-T254 VanDerWaalsContact C-N 3.3Å; A252-T254 PolarHBondContact O-N 2.92Å; T254-N285 PolarHBondContact O-ND2 3.41Å |
| 255 | L | 94.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 67 Ų | 67 | 45% | 0.45 | 35% | 0.347 | S | S | . | . | trans | -81.7 | 138.4 | 176.8 | -62.1 | 173.5 | 0 | 0 | 0 | 110.2 | A252 N285 I287 | A252-L255 HydrophobicContact CB-CD2 3.77Å; L255-N285 CarbonylContact C-O 3.59Å; L255-N285 WeakPolarHBondContact CA-O 3.45Å; L255-I287 HydrophobicContact CB-CB 4.2Å; L255-I287 HydrophobicContact CB-CG2 3.82Å; L255-I287 HydrophobicContact CD1-CB 4.41Å; L255-I287 HydrophobicContact CD1-CD1 3.99Å | ||
| 256 | V | 95.1 | Very high | 94.4 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 16% | 0.164 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 114.7 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | G134 L135 I258 N285 I287 | G134-V256 WeakPolarHBondContact O-CG2 3.37Å; L135-V256 HydrophobicContact CD2-CB 3.91Å; L135-V256 HydrophobicContact CD2-CG1 3.88Å; L135-V256 HydrophobicContact CG-CG1 4.22Å; V256-I258 HydrophobicContact CG1-CG2 4.23Å; V256-I258 PolarHBondContact O-N 3.49Å; V256-N285 WeakPolarHBondContact CG2-ND2 3.48Å; V256-N285 PolarHBondContact N-O 2.91Å; V256-I287 PolarHBondContact O-N 2.75Å |
| 257 | P | 94.5 | Very high | 94.5 | Very high | 86 Ų | 86 | 64.4 Ų | 64.4 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.4 | 176 | 26.4 | -31.8 | 0 | 0 | 0 | 110.1 | I287 N289 | P257-I287 CarbonylContact C-O 3.59Å; P257-I287 WeakPolarHBondContact CA-O 3.45Å; P257-I287 HydrophobicContact CB-CG2 4.38Å; P257-N289 HydrophobicContact CB-CB 3.99Å |
| 258 | I | 93.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 65.1 Ų | 65.1 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151.2 | 177.3 | 60.6 | 165.8 | 0 | 0 | 0 | 111.8 | L135 V256 V262 R263 L266 A286 I287 N289 | L135-I258 HydrophobicContact CD1-CG2 4.02Å; L135-I258 HydrophobicContact CD2-CG2 3.82Å; L135-I258 HydrophobicContact CG-CG2 4.34Å; V256-I258 HydrophobicContact CG1-CG2 4.23Å; V256-I258 PolarHBondContact O-N 3.49Å; I258-V262 HydrophobicContact CB-CB 4.35Å; I258-V262 HydrophobicContact CB-CG1 4.3Å; I258-V262 HydrophobicContact CD1-CB 4.46Å; I258-V262 HydrophobicContact CD1-CG1 4.2Å; I258-V262 HydrophobicContact CG2-CG1 4.49Å; I258-R263 HydrophobicContact CD1-CB 3.78Å; I258-R263 HydrophobicContact CG1-CB 4.47Å; I258-L266 HydrophobicContact CD1-CD2 4.3Å; I258-A286 HydrophobicContact CD1-CB 3.52Å; I258-A286 HydrophobicContact CG1-CB 3.98Å; I258-A286 HydrophobicContact CG2-CB 4.47Å; I258-I287 WeakPolarHBondContact CG1-O 3.25Å; I258-I287 PolarHBondContact N-O 3.26Å; I258-N289 PolarHBondContact O-N 3.46Å |
| 259 | H | 93.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 49% | 0.491 | 33% | 0.325 | S | S | . | . | trans | -66 | 146.7 | 173.8 | -169.4 | -102.2 | 0 | 0 | 0 | 110.9 | E261 V262 R263 | H259-E261 VanDerWaalsContact C-N 3.27Å; H259-E261 IonicContact CE1-OE1 3.63Å; H259-E261 PolarHBondContact ND1-N 3.2Å; H259-E261 IonicContact ND1-OE2 3.8Å; H259-E261 PolarHBondContact O-N 3.11Å; H259-V262 HydrophobicContact CB-CG2 4.22Å; H259-V262 WeakPolarHBondContact O-CB 3.46Å; H259-V262 PolarHBondContact O-N 3.38Å; H259-R263 PolarHBondContact O-N 3.21Å; H259-R263 VanDerWaalsContact O-N 3.13Å | ||
| 260 | P | 93.9 | Very high | 94.9 | Very high | 62 Ų | 62 | 62.5 Ų | 62.5 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -53.3 | -38.2 | 179.8 | -29.2 | 35.5 | 0 | 0 | 0 | 114.8 | V262 R263 Q264 I288 | P260-V262 VanDerWaalsContact C-N 3.3Å; P260-V262 PolarHBondContact O-N 2.77Å; P260-R263 WeakPolarHBondContact O-CB 3.31Å; P260-R263 PolarHBondContact O-N 2.99Å; P260-R263 VanDerWaalsContact O-N 3.12Å; P260-Q264 PolarHBondContact O-N 2.78Å; P260-I288 HydrophobicContact CG-CG2 3.97Å |
| 261 | E | 92.2 | Very high | 94.9 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.5 | -35.7 | 176.9 | -65.8 | 177.8 | 177.6 | 0 | 0 | 112.8 | H259 R263 Q264 T265 | H259-E261 VanDerWaalsContact C-N 3.27Å; H259-E261 IonicContact CE1-OE1 3.63Å; H259-E261 PolarHBondContact ND1-N 3.2Å; H259-E261 IonicContact ND1-OE2 3.8Å; H259-E261 PolarHBondContact O-N 3.11Å; E261-R263 VanDerWaalsContact C-N 3.34Å; E261-Q264 PolarHBondContact O-N 3.44Å; E261-T265 PolarHBondContact O-N 2.93Å; E261-T265 PolarHBondContact O-OG1 3.07Å |
| 262 | V | 92.4 | Very high | 95 | Very high | 66 Ų | 66 | 66.9 Ų | 66.9 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 174.9 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | I258 H259 P260 Q264 T265 L266 | I258-V262 HydrophobicContact CB-CB 4.35Å; I258-V262 HydrophobicContact CB-CG1 4.3Å; I258-V262 HydrophobicContact CD1-CB 4.46Å; I258-V262 HydrophobicContact CD1-CG1 4.2Å; I258-V262 HydrophobicContact CG2-CG1 4.49Å; H259-V262 HydrophobicContact CB-CG2 4.22Å; H259-V262 WeakPolarHBondContact O-CB 3.46Å; H259-V262 PolarHBondContact O-N 3.38Å; P260-V262 VanDerWaalsContact C-N 3.3Å; P260-V262 PolarHBondContact O-N 2.77Å; V262-Q264 VanDerWaalsContact C-N 3.32Å; V262-Q264 PolarHBondContact O-N 3.3Å; V262-T265 PolarHBondContact O-N 3.29Å; V262-L266 VanDerWaalsContact O-CB 3.32Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.93Å |
| 263 | R | 94.8 | Very high | 95 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.2 | -39 | 175 | -176.3 | 62.4 | 179.7 | -177.8 | 6.6 | 111.7 | I258 H259 P260 E261 L266 N267 D284 I288 | I258-R263 HydrophobicContact CD1-CB 3.78Å; I258-R263 HydrophobicContact CG1-CB 4.47Å; H259-R263 PolarHBondContact O-N 3.21Å; H259-R263 VanDerWaalsContact O-N 3.13Å; P260-R263 WeakPolarHBondContact O-CB 3.31Å; P260-R263 PolarHBondContact O-N 2.99Å; P260-R263 VanDerWaalsContact O-N 3.12Å; E261-R263 VanDerWaalsContact C-N 3.34Å; R263-L266 WeakPolarHBondContact O-CB 3.45Å; R263-L266 PolarHBondContact O-N 3.49Å; R263-N267 PolarHBondContact NE-OD1 3.46Å; R263-N267 WeakPolarHBondContact O-CB 3.45Å; R263-N267 VanDerWaalsContact O-CG 3.22Å; R263-N267 PolarHBondContact O-N 2.82Å; R263-N267 PolarHBondContact O-ND2 3.05Å; R263-D284 IonicContact CZ-OD2 3.02Å; R263-D284 VanDerWaalsContact NH1-CG 3.32Å; R263-D284 IonicContact NH1-OD1 3.92Å; R263-D284 PolarHBondContact NH1-OD1 2.78Å; R263-D284 VanDerWaalsContact NH1-OD1 3.11Å; R263-D284 IonicContact NH1-OD2 4Å; R263-D284 PolarHBondContact NH1-OD2 2.74Å; R263-D284 IonicContact NH2-OD2 4Å; R263-I288 HydrophobicContact CB-CD1 4.43Å; R263-I288 HydrophobicContact CB-CG1 4.05Å; R263-I288 HydrophobicContact CG-CD1 3.89Å; R263-I288 HydrophobicContact CG-CG1 3.82Å |
| 264 | Q | 95.1 | Very high | 95 | Very high | 118 Ų | 118 | 66.6 Ų | 66.6 | 55% | 0.551 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61 | -49.6 | 174.5 | -178 | 178.9 | -6.8 | 0 | 0 | 111.3 | P260 E261 V262 L266 N267 E268 | P260-Q264 PolarHBondContact O-N 2.78Å; E261-Q264 PolarHBondContact O-N 3.44Å; V262-Q264 VanDerWaalsContact C-N 3.32Å; V262-Q264 PolarHBondContact O-N 3.3Å; Q264-L266 PolarHBondContact O-N 3Å; Q264-N267 PolarHBondContact O-N 3.29Å; Q264-N267 VanDerWaalsContact O-N 3.15Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 3.31Å |
| 265 | T | 94.7 | Very high | 94.9 | Very high | 66 Ų | 66 | 65.4 Ų | 65.4 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.7 | -40.1 | 177 | -58 | 0 | 0 | 0 | 0 | 111.8 | Y160 E261 V262 E268 M269 | Y160-T265 HydrophobicContact CD1-CG2 3.77Å; Y160-T265 HydrophobicContact CE1-CG2 4.16Å; Y160-T265 WeakPolarHBondContact CE1-O 3.38Å; E261-T265 PolarHBondContact O-N 2.93Å; E261-T265 PolarHBondContact O-OG1 3.07Å; V262-T265 PolarHBondContact O-N 3.29Å; T265-E268 PolarHBondContact O-N 3.5Å; T265-M269 PolarHBondContact O-N 3.13Å; T265-M269 VanDerWaalsContact O-N 3.15Å |
| 266 | L | 95.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 62.4 Ų | 62.4 | 3% | 0.031 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 177.1 | -171.8 | 64.5 | 0 | 0 | 0 | 111.9 | V137 F162 I258 V262 R263 Q264 E268 M269 Y270 A286 | V137-L266 HydrophobicContact CG2-CD1 4.48Å; F162-L266 HydrophobicContact CE1-CD1 4.08Å; F162-L266 HydrophobicContact CE2-CD1 4.37Å; F162-L266 HydrophobicContact CZ-CD1 3.68Å; I258-L266 HydrophobicContact CD1-CD2 4.3Å; V262-L266 VanDerWaalsContact O-CB 3.32Å; V262-L266 WeakPolarHBondContact O-CB 3.46Å; V262-L266 PolarHBondContact O-N 2.93Å; R263-L266 WeakPolarHBondContact O-CB 3.45Å; R263-L266 PolarHBondContact O-N 3.49Å; Q264-L266 PolarHBondContact O-N 3Å; L266-E268 VanDerWaalsContact C-N 3.35Å; L266-E268 PolarHBondContact O-N 3.43Å; L266-M269 HydrophobicContact CD1-CE 3.75Å; L266-M269 WeakPolarHBondContact O-CB 3.36Å; L266-M269 PolarHBondContact O-N 3.44Å; L266-Y270 HydrophobicContact CD1-CE1 3.76Å; L266-Y270 HydrophobicContact CD1-CE2 4.37Å; L266-Y270 WeakPolarHBondContact CD1-OH 3.26Å; L266-Y270 HydrophobicContact CD2-CE2 4.08Å; L266-Y270 VanDerWaalsContact CD2-OH 3.32Å; L266-Y270 WeakPolarHBondContact CD2-OH 3.32Å; L266-Y270 HydrophobicContact CG-CD2 4.46Å; L266-Y270 HydrophobicContact CG-CE1 3.98Å; L266-Y270 HydrophobicContact CG-CE2 3.68Å; L266-Y270 VanDerWaalsContact CG-CZ 3.4Å; L266-Y270 VanDerWaalsContact CG-OH 3.3Å; L266-Y270 WeakPolarHBondContact CG-OH 3.11Å; L266-Y270 WeakPolarHBondContact O-CD1 3.42Å; L266-Y270 VanDerWaalsContact O-CG 3.31Å; L266-Y270 PolarHBondContact O-N 2.98Å; L266-A286 HydrophobicContact CD2-CB 4.03Å |
| 267 | N | 96.9 | Very high | 94.4 | Very high | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 176 | -71.3 | -21.1 | 0 | 0 | 0 | 111.8 | R263 Q264 M269 Y270 E271 | R263-N267 PolarHBondContact NE-OD1 3.46Å; R263-N267 WeakPolarHBondContact O-CB 3.45Å; R263-N267 VanDerWaalsContact O-CG 3.22Å; R263-N267 PolarHBondContact O-N 2.82Å; R263-N267 PolarHBondContact O-ND2 3.05Å; Q264-N267 PolarHBondContact O-N 3.29Å; Q264-N267 VanDerWaalsContact O-N 3.15Å; N267-M269 VanDerWaalsContact C-N 3.28Å; N267-M269 PolarHBondContact O-N 3.44Å; N267-Y270 WeakPolarHBondContact O-CB 3.49Å; N267-Y270 PolarHBondContact O-N 2.8Å; N267-Y270 VanDerWaalsContact O-N 3.1Å; N267-E271 WeakPolarHBondContact O-CG 3.38Å; N267-E271 PolarHBondContact O-N 3.04Å |
| 268 | E | 96.6 | Very high | 94.1 | Very high | 95 Ų | 95 | 63.3 Ų | 63.3 | 44% | 0.444 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 174.7 | -70.6 | 176.8 | -168.9 | 0 | 0 | 112.3 | Y160 Q264 T265 L266 K272 | Y160-E268 HydrophobicContact CE1-CB 4.27Å; Q264-E268 WeakPolarHBondContact O-CG 3.4Å; Q264-E268 PolarHBondContact O-N 3.31Å; T265-E268 PolarHBondContact O-N 3.5Å; L266-E268 VanDerWaalsContact C-N 3.35Å; L266-E268 PolarHBondContact O-N 3.43Å; E268-K272 PolarHBondContact O-N 3.4Å |
| 269 | M | 97.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 172.8 | -175.3 | -175.5 | 73.6 | 0 | 0 | 110.7 | I156 V157 Y160 F162 T265 L266 N267 E271 K272 I273 | I156-M269 HydrophobicContact CG2-CG 4.25Å; V157-M269 HydrophobicContact CB-SD 3.98Å; V157-M269 HydrophobicContact CG1-CE 4.42Å; V157-M269 HydrophobicContact CG1-CG 4.41Å; V157-M269 HydrophobicContact CG1-SD 3.76Å; Y160-M269 HydrophobicContact CD1-CB 3.83Å; Y160-M269 HydrophobicContact CD1-CG 4.43Å; Y160-M269 HydrophobicContact CD2-CB 3.76Å; Y160-M269 HydrophobicContact CD2-CG 3.55Å; Y160-M269 HydrophobicContact CD2-SD 4.11Å; Y160-M269 HydrophobicContact CE1-CB 3.86Å; Y160-M269 HydrophobicContact CE2-CB 3.82Å; Y160-M269 HydrophobicContact CE2-CG 3.9Å; Y160-M269 HydrophobicContact CG-CB 3.77Å; Y160-M269 HydrophobicContact CG-CG 3.85Å; Y160-M269 HydrophobicContact CG-SD 4.02Å; F162-M269 HydrophobicContact CB-SD 4.49Å; F162-M269 HydrophobicContact CD1-CE 4.44Å; F162-M269 HydrophobicContact CD2-SD 4.08Å; F162-M269 HydrophobicContact CG-CE 4.49Å; F162-M269 HydrophobicContact CG-SD 4.22Å; T265-M269 PolarHBondContact O-N 3.13Å; T265-M269 VanDerWaalsContact O-N 3.15Å; L266-M269 HydrophobicContact CD1-CE 3.75Å; L266-M269 WeakPolarHBondContact O-CB 3.36Å; L266-M269 PolarHBondContact O-N 3.44Å; N267-M269 VanDerWaalsContact C-N 3.28Å; N267-M269 PolarHBondContact O-N 3.44Å; M269-E271 PolarHBondContact O-N 3.11Å; M269-K272 WeakPolarHBondContact O-CB 3.33Å; M269-K272 PolarHBondContact O-N 3.37Å; M269-K272 VanDerWaalsContact O-N 3.14Å; M269-I273 HydrophobicContact CE-CD1 4.16Å; M269-I273 HydrophobicContact CG-CD1 4.02Å; M269-I273 HydrophobicContact CG-CG1 4.45Å; M269-I273 WeakPolarHBondContact O-CG1 3.28Å; M269-I273 PolarHBondContact O-N 2.82Å; M269-I273 HydrophobicContact SD-CD1 4.48Å |
| 270 | Y | 97.5 | Very high | 94 | Very high | 11 Ų | 11 | 59.6 Ų | 59.6 | 4% | 0.043 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 178.7 | -63.4 | -17.2 | 0 | 0 | 0 | 112.5 | V137 L266 N267 K272 I273 K274 I282 D284 | V137-Y270 HydrophobicContact CG1-CE1 3.74Å; V137-Y270 HydrophobicContact CG2-CE1 4.15Å; V137-Y270 VanDerWaalsContact CG2-OH 3.26Å; V137-Y270 WeakPolarHBondContact CG2-OH 3.45Å; L266-Y270 HydrophobicContact CD1-CE1 3.76Å; L266-Y270 HydrophobicContact CD1-CE2 4.37Å; L266-Y270 WeakPolarHBondContact CD1-OH 3.26Å; L266-Y270 HydrophobicContact CD2-CE2 4.08Å; L266-Y270 VanDerWaalsContact CD2-OH 3.32Å; L266-Y270 WeakPolarHBondContact CD2-OH 3.32Å; L266-Y270 HydrophobicContact CG-CD2 4.46Å; L266-Y270 HydrophobicContact CG-CE1 3.98Å; L266-Y270 HydrophobicContact CG-CE2 3.68Å; L266-Y270 VanDerWaalsContact CG-CZ 3.4Å; L266-Y270 VanDerWaalsContact CG-OH 3.3Å; L266-Y270 WeakPolarHBondContact CG-OH 3.11Å; L266-Y270 WeakPolarHBondContact O-CD1 3.42Å; L266-Y270 VanDerWaalsContact O-CG 3.31Å; L266-Y270 PolarHBondContact O-N 2.98Å; N267-Y270 WeakPolarHBondContact O-CB 3.49Å; N267-Y270 PolarHBondContact O-N 2.8Å; N267-Y270 VanDerWaalsContact O-N 3.1Å; Y270-K272 VanDerWaalsContact C-N 3.27Å; Y270-K272 PolarHBondContact O-N 3.29Å; Y270-I273 HydrophobicContact CD1-CD1 4.46Å; Y270-I273 PolarHBondContact O-N 3.43Å; Y270-I273 VanDerWaalsContact O-N 3.12Å; Y270-K274 WeakPolarHBondContact O-CB 3.25Å; Y270-K274 VanDerWaalsContact O-CG 3.27Å; Y270-K274 WeakPolarHBondContact O-CG 3.35Å; Y270-K274 PolarHBondContact O-N 2.91Å; Y270-I282 HydrophobicContact CD1-CD1 4.17Å; Y270-I282 HydrophobicContact CD1-CG2 3.87Å; Y270-I282 HydrophobicContact CD2-CG2 4.48Å; Y270-I282 HydrophobicContact CE1-CG2 3.76Å; Y270-I282 HydrophobicContact CE2-CG2 4.38Å; Y270-I282 HydrophobicContact CG-CD1 4.24Å; Y270-I282 HydrophobicContact CG-CG2 4.23Å; Y270-D284 VanDerWaalsContact CE2-OD2 3.31Å; Y270-D284 WeakPolarHBondContact CE2-OD2 3.19Å; Y270-D284 WeakPolarHBondContact OH-CB 3.34Å; Y270-D284 PolarHBondContact OH-OD2 3.5Å; Y270-D284 VanDerWaalsContact OH-OD2 3.12Å |
| 271 | E | 95.8 | Very high | 94.1 | Very high | 106 Ų | 106 | 59.4 Ų | 59.4 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 174.8 | -68.2 | -48.7 | 121.9 | 0 | 0 | 111.4 | N267 M269 K274 T275 | N267-E271 WeakPolarHBondContact O-CG 3.38Å; N267-E271 PolarHBondContact O-N 3.04Å; M269-E271 PolarHBondContact O-N 3.11Å; E271-K274 PolarHBondContact O-N 3.04Å; E271-K274 IonicContact OE1-NZ 3.31Å; E271-K274 PolarHBondContact OE1-NZ 3.21Å; E271-T275 VanDerWaalsContact O-CG2 3.31Å; E271-T275 WeakPolarHBondContact O-CG2 3.48Å; E271-T275 PolarHBondContact O-N 3.29Å |
| 272 | K | 96.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 54.8 Ų | 54.8 | 44% | 0.439 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 172.9 | -70.1 | -178.9 | -173.3 | 166.6 | 0 | 112.5 | I156 Y160 E268 M269 Y270 K274 T275 | I156-K272 HydrophobicContact CG2-CB 3.77Å; Y160-K272 HydrophobicContact CE2-CD 3.96Å; Y160-K272 VanDerWaalsContact OH-CD 3.26Å; Y160-K272 WeakPolarHBondContact OH-CD 3.15Å; Y160-K272 WeakPolarHBondContact OH-CE 3.36Å; Y160-K272 PolarHBondContact OH-NZ 2.86Å; E268-K272 PolarHBondContact O-N 3.4Å; M269-K272 WeakPolarHBondContact O-CB 3.33Å; M269-K272 PolarHBondContact O-N 3.37Å; M269-K272 VanDerWaalsContact O-N 3.14Å; Y270-K272 VanDerWaalsContact C-N 3.27Å; Y270-K272 PolarHBondContact O-N 3.29Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K272-T275 WeakPolarHBondContact O-CB 3.34Å; K272-T275 PolarHBondContact O-N 3.46Å; K272-T275 PolarHBondContact O-OG1 3.41Å |
| 273 | I | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.6 | -65.2 | 171.9 | 0 | 0 | 0 | 110.5 | I129 V139 I156 V157 M269 Y270 T275 L276 V279 I282 | I129-I273 HydrophobicContact CD1-CD1 4.35Å; V139-I273 HydrophobicContact CG1-CG2 3.98Å; V139-I273 HydrophobicContact CG2-CD1 4.33Å; V139-I273 HydrophobicContact CG2-CG2 4.19Å; I156-I273 HydrophobicContact CB-CG1 4.45Å; I156-I273 HydrophobicContact CD1-CG1 4.39Å; I156-I273 HydrophobicContact CG2-CG1 3.91Å; V157-I273 HydrophobicContact CG1-CD1 3.73Å; V157-I273 HydrophobicContact CG1-CG1 4.44Å; M269-I273 HydrophobicContact CE-CD1 4.16Å; M269-I273 HydrophobicContact CG-CD1 4.02Å; M269-I273 HydrophobicContact CG-CG1 4.45Å; M269-I273 WeakPolarHBondContact O-CG1 3.28Å; M269-I273 PolarHBondContact O-N 2.82Å; M269-I273 HydrophobicContact SD-CD1 4.48Å; Y270-I273 HydrophobicContact CD1-CD1 4.46Å; Y270-I273 PolarHBondContact O-N 3.43Å; Y270-I273 VanDerWaalsContact O-N 3.12Å; I273-T275 PolarHBondContact O-N 3.35Å; I273-L276 VanDerWaalsContact O-CB 3.26Å; I273-L276 WeakPolarHBondContact O-CB 3.33Å; I273-L276 WeakPolarHBondContact O-CG 3.44Å; I273-L276 PolarHBondContact O-N 3.02Å; I273-V279 HydrophobicContact CG2-CB 4.48Å; I273-V279 HydrophobicContact CG2-CG1 4.05Å; I273-V279 HydrophobicContact CG2-CG2 3.94Å; I273-I282 HydrophobicContact CB-CD1 3.99Å; I273-I282 HydrophobicContact CG2-CD1 3.8Å |
| 274 | K | 94.4 | Very high | 94.6 | Very high | 98 Ų | 98 | 52 Ų | 52 | 43% | 0.426 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.7 | -18.1 | 176.5 | -72.7 | 172.9 | -171.6 | 170.3 | 0 | 113.2 | K74 Y270 E271 K272 L276 I282 | K74-K274 PolarHBondContact NZ-O 3.4Å; Y270-K274 WeakPolarHBondContact O-CB 3.25Å; Y270-K274 VanDerWaalsContact O-CG 3.27Å; Y270-K274 WeakPolarHBondContact O-CG 3.35Å; Y270-K274 PolarHBondContact O-N 2.91Å; E271-K274 PolarHBondContact O-N 3.04Å; E271-K274 IonicContact OE1-NZ 3.31Å; E271-K274 PolarHBondContact OE1-NZ 3.21Å; K272-K274 VanDerWaalsContact C-N 3.35Å; K274-L276 PolarHBondContact O-N 3.44Å; K274-I282 HydrophobicContact CG-CD1 4.1Å |
| 275 | T | 92 | Very high | 94.6 | Very high | 72 Ų | 72 | 46.5 Ų | 46.5 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -12 | 170.6 | 73 | 0 | 0 | 0 | 0 | 113.8 | L70 E271 K272 I273 | L70-T275 WeakPolarHBondContact CD2-O 3.49Å; E271-T275 VanDerWaalsContact O-CG2 3.31Å; E271-T275 WeakPolarHBondContact O-CG2 3.48Å; E271-T275 PolarHBondContact O-N 3.29Å; K272-T275 WeakPolarHBondContact O-CB 3.34Å; K272-T275 PolarHBondContact O-N 3.46Å; K272-T275 PolarHBondContact O-OG1 3.41Å; I273-T275 PolarHBondContact O-N 3.35Å |
| 276 | L | 92.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -77.6 | 135.3 | 174 | -57.4 | 179.9 | 0 | 0 | 0 | 110.5 | K74 E149 R152 V153 I156 I273 K274 Y278 V279 | K74-L276 WeakPolarHBondContact CE-O 3.49Å; K74-L276 PolarHBondContact NZ-O 3.12Å; E149-L276 WeakPolarHBondContact OE1-CB 3.5Å; R152-L276 HydrophobicContact CB-CD1 4Å; R152-L276 HydrophobicContact CB-CD2 3.99Å; V153-L276 HydrophobicContact CG2-CD1 3.56Å; I156-L276 HydrophobicContact CD1-CD1 3.97Å; I156-L276 HydrophobicContact CD1-CD2 4.21Å; I156-L276 HydrophobicContact CD1-CG 4.09Å; I273-L276 VanDerWaalsContact O-CB 3.26Å; I273-L276 WeakPolarHBondContact O-CB 3.33Å; I273-L276 WeakPolarHBondContact O-CG 3.44Å; I273-L276 PolarHBondContact O-N 3.02Å; K274-L276 PolarHBondContact O-N 3.44Å; L276-Y278 VanDerWaalsContact C-N 3.34Å; L276-Y278 PolarHBondContact O-N 3.18Å; L276-V279 HydrophobicContact CB-CB 4.49Å; L276-V279 HydrophobicContact CB-CG2 3.86Å; L276-V279 HydrophobicContact CD1-CG2 4.21Å; L276-V279 PolarHBondContact O-N 3.46Å |
| 277 | E | 86.2 | Confident | 94.6 | Very high | 60 Ų | 60 | 47.5 Ų | 47.5 | 28% | 0.28 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -44.5 | -174 | -174.9 | -178.3 | 160.9 | 0 | 0 | 112.8 | L70 V73 K74 Q115 | L70-E277 HydrophobicContact CD1-CB 4.28Å; L70-E277 HydrophobicContact CD1-CG 4.48Å; V73-E277 HydrophobicContact CG1-CG 4.26Å; K74-E277 WeakPolarHBondContact CE-O 3.46Å; Q115-E277 PolarHBondContact NE2-OE1 2.75Å; Q115-E277 VanDerWaalsContact NE2-OE1 3.15Å |
| 278 | Y | 89.1 | Confident | 94.3 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 28% | 0.282 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | 4.1 | -169.4 | -55.1 | -63.1 | 0 | 0 | 0 | 113.9 | S141 R142 A143 L276 | S141-Y278 CarbonylContact C-O 3.52Å; S141-Y278 WeakPolarHBondContact CA-O 3.48Å; S141-Y278 VanDerWaalsContact CB-O 3.32Å; S141-Y278 WeakPolarHBondContact CB-O 3.22Å; S141-Y278 WeakPolarHBondContact OG-CB 3.29Å; S141-Y278 PolarHBondContact OG-O 2.95Å; R142-Y278 PolarHBondContact N-O 3.37Å; A143-Y278 HydrophobicContact CB-CD1 4.35Å; A143-Y278 HydrophobicContact CB-CD2 3.51Å; A143-Y278 HydrophobicContact CB-CE2 4.23Å; A143-Y278 HydrophobicContact CB-CG 3.58Å; L276-Y278 VanDerWaalsContact C-N 3.34Å; L276-Y278 PolarHBondContact O-N 3.18Å |
| 279 | V | 93.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.024 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.8 | 176.6 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | K74 V139 I273 L276 I282 | K74-V279 PolarHBondContact NZ-O 3.43Å; V139-V279 HydrophobicContact CG1-CB 4.37Å; V139-V279 HydrophobicContact CG1-CG1 3.72Å; V139-V279 HydrophobicContact CG1-CG2 3.77Å; I273-V279 HydrophobicContact CG2-CB 4.48Å; I273-V279 HydrophobicContact CG2-CG1 4.05Å; I273-V279 HydrophobicContact CG2-CG2 3.94Å; L276-V279 HydrophobicContact CB-CB 4.49Å; L276-V279 HydrophobicContact CB-CG2 3.86Å; L276-V279 HydrophobicContact CD1-CG2 4.21Å; L276-V279 PolarHBondContact O-N 3.46Å; V279-I282 HydrophobicContact CG1-CD1 4.46Å; V279-I282 HydrophobicContact CG1-CG1 4.19Å |
| 280 | D | 91.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 53.6 Ų | 53.6 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -54.8 | -178.4 | -75.3 | -63.9 | 0 | 0 | 0 | 112.2 | R81 E140 R142 | R81-D280 IonicContact CZ-OD1 3.11Å; R81-D280 IonicContact NH1-OD1 3.88Å; R81-D280 IonicContact NH2-OD1 2.76Å; R81-D280 PolarHBondContact NH2-OD1 3.28Å; R81-D280 IonicContact NH2-OD2 2.7Å; E140-D280 PolarHBondContact O-N 2.91Å; R142-D280 WeakPolarHBondContact CD-OD2 2.74Å; R142-D280 VanDerWaalsContact CG-OD2 3.29Å; R142-D280 WeakPolarHBondContact CG-OD2 3.21Å; R142-D280 IonicContact CZ-OD2 3.33Å; R142-D280 IonicContact NE-OD2 2.73Å; R142-D280 IonicContact NH1-OD1 3.54Å; R142-D280 IonicContact NH1-OD2 2.77Å; R142-D280 PolarHBondContact NH1-OD2 3.05Å |
| 281 | R | 94.4 | Very high | 90.8 | Very high | 58 Ų | 58 | 61.4 Ų | 61.4 | 22% | 0.219 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.5 | -171.5 | -58.2 | -174.8 | -69 | -173 | 1.6 | 110.6 | E140 D248 F283 | E140-R281 HydrophobicContact CB-CB 4.2Å; E140-R281 VanDerWaalsContact CD-NH2 3.26Å; E140-R281 PolarHBondContact N-O 2.84Å; E140-R281 IonicContact OE1-CZ 3.86Å; E140-R281 VanDerWaalsContact OE1-CZ 3.31Å; E140-R281 IonicContact OE1-NE 3.52Å; E140-R281 PolarHBondContact OE1-NE 2.72Å; E140-R281 IonicContact OE1-NH2 2.84Å; E140-R281 PolarHBondContact OE1-NH2 2.75Å; E140-R281 VanDerWaalsContact OE1-NH2 3.1Å; E140-R281 IonicContact OE2-CZ 3.99Å; E140-R281 IonicContact OE2-NE 3.62Å; E140-R281 IonicContact OE2-NH2 3.69Å; E140-R281 PolarHBondContact OE2-NH2 3.23Å; D248-R281 PolarHBondContact O-NH1 3.25Å; D248-R281 IonicContact OD1-CZ 3.72Å; D248-R281 IonicContact OD1-NH1 2.86Å; D248-R281 PolarHBondContact OD1-NH1 3.36Å; D248-R281 IonicContact OD1-NH2 2.84Å; D248-R281 PolarHBondContact OD1-NH2 3.07Å; D248-R281 IonicContact OD2-CZ 3.7Å; D248-R281 IonicContact OD2-NH1 2.81Å; D248-R281 IonicContact OD2-NH2 3.59Å; D248-R281 PolarHBondContact OD2-NH2 3.29Å; R281-F283 HydrophobicContact CB-CD2 4.34Å; R281-F283 HydrophobicContact CB-CE2 3.53Å; R281-F283 HydrophobicContact CB-CZ 3.96Å; R281-F283 HydrophobicContact CG-CE2 4.45Å; R281-F283 HydrophobicContact CG-CZ 4.49Å |
| 282 | I | 97 | Very high | 88.3 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 18% | 0.179 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.6 | 175.1 | -55.4 | 180 | 0 | 0 | 0 | 107.1 | V137 I138 V139 Y270 I273 K274 V279 | V137-I282 HydrophobicContact CG1-CG2 3.53Å; I138-I282 CarbonylContact O-C 3.58Å; I138-I282 WeakPolarHBondContact O-CA 3.5Å; V139-I282 HydrophobicContact CG2-CG1 4.31Å; V139-I282 HydrophobicContact CG2-CG2 4.4Å; Y270-I282 HydrophobicContact CD1-CD1 4.17Å; Y270-I282 HydrophobicContact CD1-CG2 3.87Å; Y270-I282 HydrophobicContact CD2-CG2 4.48Å; Y270-I282 HydrophobicContact CE1-CG2 3.76Å; Y270-I282 HydrophobicContact CE2-CG2 4.38Å; Y270-I282 HydrophobicContact CG-CD1 4.24Å; Y270-I282 HydrophobicContact CG-CG2 4.23Å; I273-I282 HydrophobicContact CB-CD1 3.99Å; I273-I282 HydrophobicContact CG2-CD1 3.8Å; K274-I282 HydrophobicContact CG-CD1 4.1Å; V279-I282 HydrophobicContact CG1-CD1 4.46Å; V279-I282 HydrophobicContact CG1-CG1 4.19Å |
| 283 | F | 96.6 | Very high | 87.9 | Confident | 34 Ų | 34 | 62.7 Ų | 62.7 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.5 | 175.9 | -55.8 | -90.1 | 0 | 0 | 0 | 108.9 | V137 I138 I249 Y250 R281 | V137-F283 CarbonylContact C-O 3.45Å; V137-F283 VanDerWaalsContact CA-O 3.29Å; V137-F283 WeakPolarHBondContact CA-O 3.29Å; V137-F283 WeakPolarHBondContact CG1-O 3.5Å; I138-F283 HydrophobicContact CB-CB 4.35Å; I138-F283 HydrophobicContact CG2-CD2 4.41Å; I138-F283 PolarHBondContact N-O 2.8Å; I138-F283 PolarHBondContact O-N 3.48Å; I249-F283 HydrophobicContact CB-CE1 3.84Å; I249-F283 HydrophobicContact CB-CZ 4.45Å; I249-F283 HydrophobicContact CG2-CE1 3.99Å; Y250-F283 AromaticContact CD2-CD2 3.63Å; Y250-F283 HydrophobicContact CD2-CD2 3.63Å; Y250-F283 AromaticContact CD2-CE2 3.65Å; Y250-F283 HydrophobicContact CD2-CE2 3.65Å; Y250-F283 HydrophobicContact CD2-CG 4.27Å; Y250-F283 HydrophobicContact CD2-CZ 4.32Å; Y250-F283 HydrophobicContact CE2-CE2 4.37Å; Y250-F283 HydrophobicContact CG-CD2 4.29Å; R281-F283 HydrophobicContact CB-CD2 4.34Å; R281-F283 HydrophobicContact CB-CE2 3.53Å; R281-F283 HydrophobicContact CB-CZ 3.96Å; R281-F283 HydrophobicContact CG-CE2 4.45Å; R281-F283 HydrophobicContact CG-CZ 4.49Å |
| 284 | D | 96.3 | Very high | 87.5 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 17% | 0.166 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 164.5 | -180 | 70.4 | 70.4 | 0 | 0 | 0 | 110.4 | F136 V137 R263 Y270 A286 | F136-D284 WeakPolarHBondContact O-CA 3.38Å; V137-D284 HydrophobicContact CG2-CB 4Å; R263-D284 IonicContact CZ-OD2 3.02Å; R263-D284 VanDerWaalsContact NH1-CG 3.32Å; R263-D284 IonicContact NH1-OD1 3.92Å; R263-D284 PolarHBondContact NH1-OD1 2.78Å; R263-D284 VanDerWaalsContact NH1-OD1 3.11Å; R263-D284 IonicContact NH1-OD2 4Å; R263-D284 PolarHBondContact NH1-OD2 2.74Å; R263-D284 IonicContact NH2-OD2 4Å; Y270-D284 VanDerWaalsContact CE2-OD2 3.31Å; Y270-D284 WeakPolarHBondContact CE2-OD2 3.19Å; Y270-D284 WeakPolarHBondContact OH-CB 3.34Å; Y270-D284 PolarHBondContact OH-OD2 3.5Å; Y270-D284 VanDerWaalsContact OH-OD2 3.12Å; D284-A286 WeakPolarHBondContact OD1-CA 3.22Å; D284-A286 WeakPolarHBondContact OD1-CB 3.18Å; D284-A286 PolarHBondContact OD1-N 3.41Å |
| 285 | N | 96.4 | Very high | 87.1 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.011 | 35% | 0.349 | C | S | . | . | trans | -104.1 | 22.6 | 175.8 | 72.3 | -28.5 | 0 | 0 | 0 | 112.6 | G134 F136 F175 A252 T254 L255 V256 | G134-N285 PolarHBondContact O-ND2 2.77Å; F136-N285 PolarHBondContact N-OD1 2.83Å; F136-N285 PolarHBondContact O-N 2.84Å; F136-N285 PolarHBondContact O-OD1 2.83Å; F175-N285 HydrophobicContact CE1-CB 4.24Å; F175-N285 HydrophobicContact CZ-CB 4.06Å; A252-N285 HydrophobicContact CB-CB 3.65Å; T254-N285 PolarHBondContact O-ND2 3.41Å; L255-N285 CarbonylContact C-O 3.59Å; L255-N285 WeakPolarHBondContact CA-O 3.45Å; V256-N285 WeakPolarHBondContact CG2-ND2 3.48Å; V256-N285 PolarHBondContact N-O 2.91Å | ||
| 286 | A | 95.4 | Very high | 86.8 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 133.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L135 I258 L266 D284 | L135-A286 HydrophobicContact CD2-CB 3.81Å; I258-A286 HydrophobicContact CD1-CB 3.52Å; I258-A286 HydrophobicContact CG1-CB 3.98Å; I258-A286 HydrophobicContact CG2-CB 4.47Å; L266-A286 HydrophobicContact CD2-CB 4.03Å; D284-A286 WeakPolarHBondContact OD1-CA 3.22Å; D284-A286 WeakPolarHBondContact OD1-CB 3.18Å; D284-A286 PolarHBondContact OD1-N 3.41Å |
| 287 | I | 94.3 | Very high | 86.4 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 41% | 0.405 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 138.3 | 168.2 | -171.7 | 165.4 | 0 | 0 | 0 | 109.6 | L255 V256 P257 I258 N289 | L255-I287 HydrophobicContact CB-CB 4.2Å; L255-I287 HydrophobicContact CB-CG2 3.82Å; L255-I287 HydrophobicContact CD1-CB 4.41Å; L255-I287 HydrophobicContact CD1-CD1 3.99Å; V256-I287 PolarHBondContact O-N 2.75Å; P257-I287 CarbonylContact C-O 3.59Å; P257-I287 WeakPolarHBondContact CA-O 3.45Å; P257-I287 HydrophobicContact CB-CG2 4.38Å; I258-I287 WeakPolarHBondContact CG1-O 3.25Å; I258-I287 PolarHBondContact N-O 3.26Å; I287-N289 PolarHBondContact O-N 3.29Å |
| 288 | I | 90.8 | Very high | 86.4 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 37% | 0.374 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 121.8 | 176.9 | -60.6 | 169.1 | 0 | 0 | 0 | 108.2 | P260 R263 N290 | P260-I288 HydrophobicContact CG-CG2 3.97Å; R263-I288 HydrophobicContact CB-CD1 4.43Å; R263-I288 HydrophobicContact CB-CG1 4.05Å; R263-I288 HydrophobicContact CG-CD1 3.89Å; R263-I288 HydrophobicContact CG-CG1 3.82Å; I288-N290 WeakPolarHBondContact CG2-OD1 3.32Å; I288-N290 PolarHBondContact O-N 3.22Å |
| 289 | N | 83.1 | Confident | 86.3 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 37% | 0.374 | 37% | 0.369 | S | S | . | . | trans | -79.3 | 107.6 | 169.1 | -173.1 | 16.8 | 0 | 0 | 0 | 108.9 | P257 I258 I287 K291 | P257-N289 HydrophobicContact CB-CB 3.99Å; I258-N289 PolarHBondContact O-N 3.46Å; I287-N289 PolarHBondContact O-N 3.29Å; N289-K291 PolarHBondContact O-N 3.15Å; N289-K291 WeakPolarHBondContact OD1-CB 3.46Å; N289-K291 PolarHBondContact OD1-N 2.71Å; N289-K291 VanDerWaalsContact OD1-N 3.15Å | ||
| 290 | N | 73.8 | Confident | 85.7 | Confident | 146 Ų | 146 | 71.2 Ų | 71.2 | 78% | 0.781 | 40% | 0.396 | S | S | * | . | trans | -78.1 | -0.6 | 175.9 | -69.8 | -22.3 | 0 | 0 | 0 | 113.2 | I288 A292 | I288-N290 WeakPolarHBondContact CG2-OD1 3.32Å; I288-N290 PolarHBondContact O-N 3.22Å; N290-A292 PolarHBondContact O-N 2.96Å | ||
| 291 | K | 61.2 | Low | 85.2 | Confident | 175 Ų | 175 | 73.9 Ų | 73.9 | 76% | 0.761 | 41% | 0.412 | S | S | * | . | trans | -80.9 | 101.9 | 171.3 | -63.5 | -175.6 | 178.1 | -179.5 | 0 | 108.9 | N289 | N289-K291 PolarHBondContact O-N 3.15Å; N289-K291 WeakPolarHBondContact OD1-CB 3.46Å; N289-K291 PolarHBondContact OD1-N 2.71Å; N289-K291 VanDerWaalsContact OD1-N 3.15Å | ||
| 292 | A | 43.3 | Very low | 84.4 | Confident | 170 Ų | 170 | 75.4 Ų | 75.4 | 100% | 1.405 | 43% | 0.429 | S | S | * | . | trans | -62.4 | 0 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111 | N290 | N290-A292 PolarHBondContact O-N 2.96Š|
Retrieved 292 of 292 residues in 55.5 ms
(Link to these results)