| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.9 | Very low | 33.7 | Very low | 251 Ų | 251 | 161.6 Ų | 161.6 | 100% | 1.236 | 81% | 0.808 | S | S | * | * | 0 | 70.9 | 0 | -157.8 | 179.4 | -142.1 | 0 | 0 | 106.3 | |||||
| 2 | E | 30.9 | Very low | 33.7 | Very low | 195 Ų | 195 | 150.2 Ų | 150.2 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | -99.5 | 134.7 | -177.9 | -91 | 174 | 151.4 | 0 | 0 | 109.3 | M4 | E2-M4 PolarHBondContact O-N 2.87Š| ||
| 3 | R | 30.9 | Very low | 34.1 | Very low | 240 Ų | 240 | 146.1 Ų | 146.1 | 91% | 0.906 | 75% | 0.749 | S | S | * | * | trans | -63 | 125.1 | -179 | -84.2 | 173.8 | 165.4 | 158.7 | -5.2 | 110.2 | E5 | R3-E5 PolarHBondContact O-N 3.15Š| ||
| 4 | M | 27.6 | Very low | 34.1 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 93% | 0.931 | 73% | 0.734 | S | S | * | * | trans | -63.6 | 108.3 | 154.1 | -87.1 | 166.5 | 66.2 | 0 | 0 | 108 | E2 | E2-M4 PolarHBondContact O-N 2.87Š| ||
| 5 | E | 35.9 | Very low | 34.2 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -69.4 | 127 | 158.4 | -79 | -177.6 | 157.7 | 0 | 0 | 108.4 | R3 M7 | R3-E5 PolarHBondContact O-N 3.15Å; E5-M7 PolarHBondContact O-N 3.03Å | ||
| 6 | S | 33.4 | Very low | 34.3 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | trans | -61.8 | 112.1 | -178.6 | 48 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 7 | M | 35 | Very low | 34.5 | Very low | 188 Ų | 188 | 139.9 Ų | 139.9 | 93% | 0.926 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127 | 161.7 | -75.7 | -174.8 | 172.6 | 0 | 0 | 109.3 | E5 | E5-M7 PolarHBondContact O-N 3.03Š|
| 8 | E | 33.1 | Very low | 34.5 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -70 | 142.1 | 171.1 | -70.2 | -135.9 | 144.3 | 0 | 0 | 111.3 | A12 | E8-A12 HydrophobicContact CB-CB 4.42Å; E8-A12 WeakPolarHBondContact OE2-CB 3.13Å |
| 9 | P | 32.2 | Very low | 34.3 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 60% | 0.597 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 144.7 | 178.4 | 26.5 | -32.1 | 0 | 0 | 0 | 111.6 | S11 A12 | P9-S11 PolarHBondContact O-N 3.44Å; P9-A12 VanDerWaalsContact O-CB 3.27Å; P9-A12 WeakPolarHBondContact O-CB 3.5Å; P9-A12 PolarHBondContact O-N 3.41Å |
| 10 | I | 40.3 | Very low | 34.2 | Very low | 101 Ų | 101 | 142.1 Ų | 142.1 | 52% | 0.518 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -51.1 | -25.1 | 179.8 | -66.4 | 167.1 | 0 | 0 | 0 | 113.6 | A12 C13 Y14 | I10-A12 PolarHBondContact O-N 3.33Å; I10-C13 PolarHBondContact O-N 3.11Å; I10-Y14 HydrophobicContact CG2-CD2 4.33Å; I10-Y14 HydrophobicContact CG2-CE2 4.25Å |
| 11 | S | 37.4 | Very low | 34.4 | Very low | 67 Ų | 67 | 143 Ų | 143 | 47% | 0.469 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -51.5 | -34.2 | 168.4 | 163.9 | 0 | 0 | 0 | 0 | 113.4 | P9 Y14 K15 | P9-S11 PolarHBondContact O-N 3.44Å; S11-Y14 PolarHBondContact O-N 3.23Å; S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.96Å; S11-K15 VanDerWaalsContact O-N 3.17Å |
| 12 | A | 33.8 | Very low | 34.3 | Very low | 24 Ų | 24 | 138.3 Ų | 138.3 | 20% | 0.198 | 71% | 0.71 | C | S | . | * | H | α-helix | trans | -71.8 | -34.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | E8 P9 I10 Y14 K15 T16 | E8-A12 HydrophobicContact CB-CB 4.42Å; E8-A12 WeakPolarHBondContact OE2-CB 3.13Å; P9-A12 VanDerWaalsContact O-CB 3.27Å; P9-A12 WeakPolarHBondContact O-CB 3.5Å; P9-A12 PolarHBondContact O-N 3.41Å; I10-A12 PolarHBondContact O-N 3.33Å; A12-Y14 VanDerWaalsContact C-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.94Å; A12-K15 PolarHBondContact O-N 3.38Å; A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.11Å |
| 13 | C | 38.8 | Very low | 34.3 | Very low | 97 Ų | 97 | 134.5 Ų | 134.5 | 66% | 0.655 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -67.7 | -28 | 175.6 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | I10 T16 | I10-C13 PolarHBondContact O-N 3.11Å; C13-T16 PolarHBondContact O-OG1 3.09Å |
| 14 | Y | 34.1 | Very low | 34.5 | Very low | 137 Ų | 137 | 130.4 Ų | 130.4 | 54% | 0.537 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -81.3 | -32.7 | 174.9 | -83 | -89.6 | 0 | 0 | 0 | 112.6 | I10 S11 A12 A17 | I10-Y14 HydrophobicContact CG2-CD2 4.33Å; I10-Y14 HydrophobicContact CG2-CE2 4.25Å; S11-Y14 PolarHBondContact O-N 3.23Å; A12-Y14 VanDerWaalsContact C-N 3.28Å; A12-Y14 PolarHBondContact O-N 2.94Å; Y14-A17 PolarHBondContact O-N 3.07Å |
| 15 | K | 35.5 | Very low | 34.6 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 67% | 0.674 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -74 | -25.7 | -177.7 | -79.6 | -176.5 | 178.3 | -170.9 | 0 | 114.8 | S11 A12 A17 | S11-K15 WeakPolarHBondContact O-CG 3.48Å; S11-K15 PolarHBondContact O-N 2.96Å; S11-K15 VanDerWaalsContact O-N 3.17Å; A12-K15 PolarHBondContact O-N 3.38Å; K15-A17 PolarHBondContact O-N 3.15Å |
| 16 | T | 35.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 122.2 Ų | 122.2 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -13.8 | 176.5 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | A12 C13 | A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.11Å; C13-T16 PolarHBondContact O-OG1 3.09Å |
| 17 | A | 37.6 | Very low | 34.2 | Very low | 60 Ų | 60 | 128.7 Ų | 128.7 | 50% | 0.496 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.2 | -16.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y14 K15 | Y14-A17 PolarHBondContact O-N 3.07Å; K15-A17 PolarHBondContact O-N 3.15Å |
| 18 | Y | 34.4 | Very low | 33.9 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 57% | 0.573 | 69% | 0.694 | S | S | * | * | trans | -145.8 | 97.2 | -173.4 | -59.4 | -79.1 | 0 | 0 | 0 | 112.4 | ||||
| 19 | P | 31.1 | Very low | 33.8 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.2 | 163.7 | 28.6 | -29.4 | 0 | 0 | 0 | 110.1 | I21 | P19-I21 PolarHBondContact O-N 3.29Š|
| 20 | E | 32.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 121.6 Ų | 121.6 | 94% | 0.939 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 127.1 | 177.4 | -66.1 | -175.1 | 174.2 | 0 | 0 | 110.8 | ||
| 21 | I | 38.4 | Very low | 33.4 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 83% | 0.826 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 120 | 176 | -50.9 | 177.1 | 0 | 0 | 0 | 108.4 | P19 | P19-I21 PolarHBondContact O-N 3.29Š|
| 22 | N | 31.8 | Very low | 33.1 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -76 | 128.2 | 177.8 | -131.1 | -17.8 | 0 | 0 | 0 | 109.9 | D24 | N22-D24 PolarHBondContact O-N 3.47Š|
| 23 | P | 31.2 | Very low | 33.4 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | trans | -89.9 | 84 | -179.2 | 34.6 | -29.3 | 0 | 0 | 0 | 109.6 | ||||
| 24 | D | 34.8 | Very low | 33.2 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -158.1 | 115.2 | 160.3 | -125.9 | -10.7 | 0 | 0 | 0 | 112.5 | N22 | N22-D24 PolarHBondContact O-N 3.47Š| ||
| 25 | S | 30.3 | Very low | 33.4 | Very low | 126 Ų | 126 | 140.5 Ų | 140.5 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | trans | 141.9 | 125.9 | 164.7 | 54.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 26 | G | 31.7 | Very low | 33.4 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | cis | 163.4 | 126.2 | 5.1 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 27 | Y | 28.1 | Very low | 33.5 | Very low | 251 Ų | 251 | 140.9 Ų | 140.9 | 98% | 0.984 | 81% | 0.813 | S | S | * | * | trans | -65.5 | 135.9 | 179.9 | -86.1 | -98.6 | 0 | 0 | 0 | 111.4 | ||||
| 28 | G | 29.9 | Very low | 33.6 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -143.8 | 117.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 29 | S | 31.1 | Very low | 34 | Very low | 132 Ų | 132 | 146.5 Ų | 146.5 | 92% | 0.923 | 84% | 0.84 | S | S | * | * | trans | -81.7 | 151.2 | -179.6 | 43.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 30 | G | 29.6 | Very low | 34.5 | Very low | 78 Ų | 78 | 146.4 Ų | 146.4 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -169.4 | 113.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 31 | E | 33.5 | Very low | 34.9 | Very low | 182 Ų | 182 | 142.3 Ų | 142.3 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -75.6 | 150.8 | 171.5 | -65.2 | 173.4 | 140.9 | 0 | 0 | 111.2 | ||||
| 32 | N | 31.3 | Very low | 35.3 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | -176.4 | 146.6 | 125.5 | -91.6 | -35.4 | 0 | 0 | 0 | 113.1 | |||||
| 33 | T | 39.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -74.2 | 150.5 | -173.3 | 47.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 34 | E | 34.6 | Very low | 36.6 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 91% | 0.911 | 81% | 0.812 | S | S | * | * | -173.3 | 145.2 | 127.1 | -106.4 | 171.6 | -172.7 | 0 | 0 | 114.1 | |||||
| 35 | N | 37.9 | Very low | 37.5 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -74 | 127.3 | -176.4 | -83.6 | -45.1 | 0 | 0 | 0 | 113.1 | ||||
| 36 | Q | 36.1 | Very low | 38.4 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -137.2 | 146.2 | 154.7 | -72.5 | -174.2 | 8.7 | 0 | 0 | 111.1 | K38 | Q36-K38 PolarHBondContact O-N 3.29Š| ||
| 37 | A | 38.4 | Very low | 39.6 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -50 | 127.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T39 | A37-T39 PolarHBondContact O-N 3.43Š| ||
| 38 | K | 38.5 | Very low | 41.7 | Very low | 204 Ų | 204 | 133.1 Ų | 133.1 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -73.2 | 93.9 | -179.6 | -69.5 | -178.7 | 179.3 | -179.1 | 0 | 110.9 | Q36 | Q36-K38 PolarHBondContact O-N 3.29Š| ||
| 39 | T | 43.4 | Very low | 44.6 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -49 | 140.6 | 139.2 | 10 | 0 | 0 | 0 | 0 | 108 | A37 P41 | A37-T39 PolarHBondContact O-N 3.43Å; T39-P41 VanDerWaalsContact O-N 3.11Å |
| 40 | P | 41.1 | Very low | 47.6 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.2 | 176.2 | 21 | -30.3 | 0 | 0 | 0 | 107.9 | A42 | P40-A42 PolarHBondContact O-N 2.72Å; P40-A42 VanDerWaalsContact O-N 3.15Å |
| 41 | P | 41.1 | Very low | 50.7 | Low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 126.5 | -178.9 | 22.1 | -30.3 | 0 | 0 | 0 | 107.5 | T39 | T39-P41 VanDerWaalsContact O-N 3.11Š|
| 42 | A | 47.7 | Very low | 53.6 | Low | 82 Ų | 82 | 115.6 Ų | 115.6 | 68% | 0.678 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -51 | 136.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | P40 S44 | P40-A42 PolarHBondContact O-N 2.72Å; P40-A42 VanDerWaalsContact O-N 3.15Å; A42-S44 PolarHBondContact O-N 3.46Å |
| 43 | P | 44 | Very low | 56.6 | Low | 84 Ų | 84 | 108 Ų | 108 | 55% | 0.545 | 60% | 0.603 | S | S | . | * | trans | -50.7 | 116 | 179.6 | 18.4 | -30.5 | 0 | 0 | 0 | 109 | Y45 | P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 4.2Å; P43-Y45 HydrophobicContact CB-CE2 3.66Å; P43-Y45 HydrophobicContact CG-CD2 4.24Å; P43-Y45 HydrophobicContact CG-CE2 3.4Å; P43-Y45 VanDerWaalsContact CG-CE2 3.4Å; P43-Y45 WeakPolarHBondContact O-CD2 3.44Å; P43-Y45 PolarHBondContact O-N 3.45Å | ||
| 44 | S | 45.9 | Very low | 59.2 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 78% | 0.783 | 57% | 0.568 | S | S | * | * | trans | -75.1 | 87.4 | 174.6 | 59.4 | 0 | 0 | 0 | 0 | 107 | A42 D46 | A42-S44 PolarHBondContact O-N 3.46Å; S44-D46 PolarHBondContact O-N 3.45Å | ||
| 45 | Y | 53 | Low | 62 | Low | 104 Ų | 104 | 92.9 Ų | 92.9 | 41% | 0.408 | 52% | 0.524 | S | S | . | . | trans | -72.3 | 80.6 | 169.7 | -61.1 | -71.9 | 0 | 0 | 0 | 107.9 | P43 E47 I217 H219 | P43-Y45 VanDerWaalsContact C-N 3.27Å; P43-Y45 HydrophobicContact CB-CD2 4.19Å; P43-Y45 HydrophobicContact CB-CE1 4.2Å; P43-Y45 HydrophobicContact CB-CE2 3.66Å; P43-Y45 HydrophobicContact CG-CD2 4.24Å; P43-Y45 HydrophobicContact CG-CE2 3.4Å; P43-Y45 VanDerWaalsContact CG-CE2 3.4Å; P43-Y45 WeakPolarHBondContact O-CD2 3.44Å; P43-Y45 PolarHBondContact O-N 3.45Å; Y45-E47 PolarHBondContact O-N 3.15Å; Y45-I217 HydrophobicContact CD1-CG2 4.35Å; Y45-I217 HydrophobicContact CE1-CG2 3.68Å; Y45-H219 PolarHBondContact OH-NE2 3.11Å | ||
| 46 | D | 48.8 | Very low | 64.5 | Low | 155 Ų | 155 | 85 Ų | 85 | 83% | 0.829 | 48% | 0.482 | S | S | * | . | trans | -88.5 | 38.9 | 176 | -154 | 23.3 | 0 | 0 | 0 | 110.4 | S44 | S44-D46 PolarHBondContact O-N 3.45Š| ||
| 47 | E | 58.3 | Low | 67.2 | Low | 153 Ų | 153 | 75.9 Ų | 75.9 | 72% | 0.715 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -107.2 | 118.8 | 164.8 | -70.6 | -167.6 | 169.9 | 0 | 0 | 107.3 | Y45 L49 | Y45-E47 PolarHBondContact O-N 3.15Å; E47-L49 PolarHBondContact O-N 2.83Å |
| 48 | D | 72.1 | Confident | 69.7 | Low | 150 Ų | 150 | 72.3 Ų | 72.3 | 80% | 0.802 | 41% | 0.407 | S | S | * | . | trans | -59.9 | 101.8 | 169.9 | -77 | -32.4 | 0 | 0 | 0 | 108.3 | V50 | D48-V50 HydrophobicContact CB-CG2 3.91Å; D48-V50 PolarHBondContact O-N 3.16Å | ||
| 49 | L | 90.4 | Very high | 72.1 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 8% | 0.079 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 79.9 | 177.4 | -66.9 | 177.9 | 0 | 0 | 0 | 110 | E47 V98 V100 K101 K213 A216 I217 | E47-L49 PolarHBondContact O-N 2.83Å; L49-V98 HydrophobicContact CD1-CG1 3.58Å; L49-V100 HydrophobicContact CB-CG1 4.43Å; L49-V100 HydrophobicContact CD1-CG2 4.16Å; L49-K101 PolarHBondContact O-N 2.71Å; L49-K213 HydrophobicContact CD1-CB 4.42Å; L49-K213 HydrophobicContact CD1-CG 3.81Å; L49-A216 HydrophobicContact CD2-CB 3.82Å; L49-I217 HydrophobicContact CD1-CD1 4.06Å; L49-I217 HydrophobicContact CD1-CG1 4.49Å |
| 50 | V | 94.3 | Very high | 74.4 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.297 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 118.9 | 179.8 | -170.6 | 0 | 0 | 0 | 0 | 110 | D48 K101 Q103 | D48-V50 HydrophobicContact CB-CG2 3.91Å; D48-V50 PolarHBondContact O-N 3.16Å; V50-K101 CarbonylContact C-O 3.44Å; V50-K101 WeakPolarHBondContact CA-O 3.22Å; V50-K101 HydrophobicContact CG1-CD 4.36Å; V50-K101 HydrophobicContact CG1-CG 4.44Å; V50-K101 HydrophobicContact CG2-CB 4.19Å; V50-K101 HydrophobicContact CG2-CD 4.04Å; V50-Q103 HydrophobicContact CG1-CG 3.73Å |
| 51 | H | 94.8 | Very high | 76.9 | Confident | 18 Ų | 18 | 56.7 Ų | 56.7 | 8% | 0.083 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 118.9 | 179.9 | -62.1 | -68.1 | 0 | 0 | 0 | 112.9 | T53 K101 L102 Q103 H125 L212 | H51-T53 PolarHBondContact O-N 2.91Å; H51-K101 PolarHBondContact N-O 3.39Å; H51-L102 HydrophobicContact CB-CD2 4.4Å; H51-L102 WeakPolarHBondContact O-CA 3.28Å; H51-Q103 PolarHBondContact O-N 2.97Å; H51-H125 HydrophobicContact CB-CB 4.21Å; H51-H125 AromaticContact ND1-CG 3.85Å; H51-L212 HydrophobicContact CB-CD1 3.65Å; H51-L212 HydrophobicContact CB-CG 4.48Å |
| 52 | K | 94.1 | Very high | 79.5 | Confident | 20 Ų | 20 | 51.8 Ų | 51.8 | 9% | 0.087 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 117.6 | 167.2 | -178.3 | 163.6 | 166.8 | -159.5 | 0 | 112.1 | I54 Q103 Y120 D123 H125 A126 | K52-I54 HydrophobicContact CG-CG1 4.43Å; K52-Q103 WeakPolarHBondContact CA-O 3.39Å; K52-Y120 WeakPolarHBondContact CE-O 3.09Å; K52-Y120 PolarHBondContact NZ-O 2.91Å; K52-D123 HydrophobicContact CD-CB 4.42Å; K52-D123 WeakPolarHBondContact CD-O 3.37Å; K52-H125 PolarHBondContact N-ND1 3.28Å; K52-H125 PolarHBondContact O-N 2.71Å; K52-A126 PolarHBondContact O-N 2.84Å; K52-A126 VanDerWaalsContact O-N 3.16Å |
| 53 | T | 94.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.2 | 175.7 | -59 | 0 | 0 | 0 | 0 | 109.1 | H51 Q103 I104 W105 A126 L128 | H51-T53 PolarHBondContact O-N 2.91Å; T53-Q103 PolarHBondContact N-O 3.44Å; T53-Q103 VanDerWaalsContact O-O 3.11Å; T53-I104 CarbonylContact O-C 3.54Å; T53-I104 VanDerWaalsContact O-CA 3.27Å; T53-I104 WeakPolarHBondContact O-CA 3.33Å; T53-W105 PolarHBondContact O-N 3.13Å; T53-A126 CarbonylContact C-O 3.47Å; T53-A126 VanDerWaalsContact CA-O 3.31Å; T53-A126 WeakPolarHBondContact CA-O 3.31Å; T53-A126 HydrophobicContact CG2-CB 4.13Å; T53-L128 HydrophobicContact CG2-CD1 4.49Å; T53-L128 HydrophobicContact CG2-CG 4.29Å |
| 54 | I | 93.2 | Very high | 84 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 135.4 | -179.4 | -50.3 | -177.7 | 0 | 0 | 0 | 109.9 | K52 V56 W105 T107 Y120 A124 A126 L127 L128 | K52-I54 HydrophobicContact CG-CG1 4.43Å; I54-V56 HydrophobicContact CG2-CG1 3.84Å; I54-W105 HydrophobicContact CB-CB 4.5Å; I54-W105 HydrophobicContact CG1-CB 4.18Å; I54-W105 HydrophobicContact CG1-CG 4.49Å; I54-W105 HydrophobicContact CG2-CB 4.29Å; I54-T107 HydrophobicContact CG2-CG2 3.63Å; I54-Y120 VanDerWaalsContact CD1-O 3.24Å; I54-Y120 WeakPolarHBondContact CD1-O 3.29Å; I54-A124 HydrophobicContact CD1-CB 3.68Å; I54-A124 HydrophobicContact CG1-CB 4.05Å; I54-A126 PolarHBondContact N-O 3.02Å; I54-L127 HydrophobicContact CB-CD2 3.89Å; I54-L127 HydrophobicContact CG2-CD2 4.45Å; I54-L127 WeakPolarHBondContact O-CA 3.5Å; I54-L128 PolarHBondContact O-N 2.85Å |
| 55 | L | 93.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.1 | 170.2 | -49.8 | -173.6 | 0 | 0 | 0 | 109.2 | K63 L67 I104 W105 T107 L128 F205 | L55-K63 HydrophobicContact CB-CB 4.06Å; L55-K63 HydrophobicContact CB-CD 4.13Å; L55-K63 HydrophobicContact CB-CG 4.24Å; L55-K63 HydrophobicContact CD1-CB 4.29Å; L55-K63 WeakPolarHBondContact CD1-O 3.44Å; L55-L67 HydrophobicContact CD1-CB 3.85Å; L55-L67 HydrophobicContact CD1-CD2 4.49Å; L55-I104 HydrophobicContact CD1-CG2 4.31Å; L55-I104 HydrophobicContact CD2-CG2 4.17Å; L55-I104 HydrophobicContact CG-CG2 4.01Å; L55-W105 PolarHBondContact N-O 3.23Å; L55-T107 PolarHBondContact O-OG1 3.06Å; L55-L128 HydrophobicContact CD2-CB 3.72Å; L55-L128 HydrophobicContact CD2-CD1 3.67Å; L55-L128 HydrophobicContact CD2-CG 4.11Å; L55-F205 HydrophobicContact CD2-CE1 4.18Å; L55-F205 HydrophobicContact CD2-CZ 4.09Å |
| 56 | V | 92 | Very high | 88.4 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 157.9 | -177.5 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | I54 T117 Y121 L127 L128 L129 L130 I149 | I54-V56 HydrophobicContact CG2-CG1 3.84Å; V56-T117 HydrophobicContact CG1-CG2 4.49Å; V56-Y121 HydrophobicContact CG1-CE1 3.89Å; V56-L127 HydrophobicContact CG1-CD2 3.92Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å; V56-L128 PolarHBondContact N-O 3.48Å; V56-L129 HydrophobicContact CB-CD1 4.42Å; V56-L129 HydrophobicContact CG2-CB 3.94Å; V56-L129 HydrophobicContact CG2-CD1 3.77Å; V56-L129 HydrophobicContact CG2-CG 4.44Å; V56-L129 WeakPolarHBondContact O-CA 3.41Å; V56-L130 PolarHBondContact O-N 3.17Å; V56-I149 HydrophobicContact CG2-CD1 4.19Å |
| 57 | G | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | S | Bend | trans | 132.7 | 170.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K63 | G57-K63 PolarHBondContact O-NZ 3.21Š|
| 58 | D | 91.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 25 Ų | 25 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | trans | -60.7 | 164.8 | -173.9 | -73.7 | 11.2 | 0 | 0 | 0 | 113.7 | V61 K63 G109 S138 N141 W145 | D58-V61 HydrophobicContact CB-CG1 3.82Å; D58-V61 WeakPolarHBondContact O-CG1 3.4Å; D58-V61 WeakPolarHBondContact O-CG2 3.43Å; D58-K63 PolarHBondContact O-NZ 3Å; D58-G109 CarbonylContact C-O 3.48Å; D58-S138 WeakPolarHBondContact OD2-CA 3.47Å; D58-N141 PolarHBondContact OD2-ND2 2.99Å; D58-W145 PolarHBondContact OD1-NE1 2.9Å | ||
| 59 | S | 88.9 | Confident | 93.5 | Very high | 56 Ų | 56 | 19.2 Ų | 19.2 | 39% | 0.392 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 140.8 | 172.1 | -169.2 | 0 | 0 | 0 | 0 | 110.7 | V61 G109 | S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.26Å; S59-G109 WeakPolarHBondContact CA-O 3.5Å; S59-G109 WeakPolarHBondContact CB-O 3.47Å; S59-G109 PolarHBondContact N-O 3.41Å |
| 60 | G | 90.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 18.9 Ų | 18.9 | 56% | 0.557 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G62 K165 | G60-G62 PolarHBondContact O-N 3.07Å; G60-K165 WeakPolarHBondContact O-CE 3.44Å; G60-K165 PolarHBondContact O-NZ 3.47Å |
| 61 | V | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -70.5 | -13.2 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 113.7 | D58 S59 K63 L130 D132 N164 | D58-V61 HydrophobicContact CB-CG1 3.82Å; D58-V61 WeakPolarHBondContact O-CG1 3.4Å; D58-V61 WeakPolarHBondContact O-CG2 3.43Å; S59-V61 VanDerWaalsContact C-N 3.26Å; S59-V61 PolarHBondContact O-N 3.26Å; V61-K63 HydrophobicContact CG2-CG 3.86Å; V61-L130 HydrophobicContact CB-CB 4.44Å; V61-L130 HydrophobicContact CG2-CB 3.72Å; V61-D132 HydrophobicContact CB-CB 4.32Å; V61-D132 HydrophobicContact CG1-CB 4.28Å; V61-N164 PolarHBondContact O-ND2 3.44Å |
| 62 | G | 94.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 22.2 Ų | 22.2 | 12% | 0.124 | 14% | 0.138 | C | C | . | . | S | Bend | trans | 97.6 | 27.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | G60 S65 L66 | G60-G62 PolarHBondContact O-N 3.07Å; G62-S65 PolarHBondContact O-N 2.71Å; G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.32Å |
| 63 | K | 94.5 | Very high | 93.7 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.9 | -55.7 | 174.7 | -62.2 | -175.8 | -64.5 | -73.2 | 0 | 112.6 | L55 G57 D58 V61 S65 L66 L67 D106 T107 L130 | L55-K63 HydrophobicContact CB-CB 4.06Å; L55-K63 HydrophobicContact CB-CD 4.13Å; L55-K63 HydrophobicContact CB-CG 4.24Å; L55-K63 HydrophobicContact CD1-CB 4.29Å; L55-K63 WeakPolarHBondContact CD1-O 3.44Å; G57-K63 PolarHBondContact O-NZ 3.21Å; D58-K63 PolarHBondContact O-NZ 3Å; V61-K63 HydrophobicContact CG2-CG 3.86Å; K63-S65 PolarHBondContact O-N 3.24Å; K63-L66 WeakPolarHBondContact O-CB 3.39Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.15Å; K63-L67 PolarHBondContact O-N 3.47Å; K63-D106 WeakPolarHBondContact CB-OD1 3.43Å; K63-T107 WeakPolarHBondContact CE-O 3.05Å; K63-L130 HydrophobicContact CB-CD2 4.42Å; K63-L130 HydrophobicContact CG-CB 4.44Å; K63-L130 HydrophobicContact CG-CD1 4.31Å; K63-L130 HydrophobicContact CG-CD2 3.98Å; K63-L130 HydrophobicContact CG-CG 4.48Å |
| 64 | T | 92.9 | Very high | 93.5 | Very high | 41 Ų | 41 | 30 Ų | 30 | 25% | 0.252 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -45 | 177.6 | -47.4 | 0 | 0 | 0 | 0 | 111.9 | L66 L67 V68 T83 D106 | T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.34Å; T64-L67 PolarHBondContact O-N 3.19Å; T64-V68 WeakPolarHBondContact O-CG2 3.41Å; T64-V68 PolarHBondContact O-N 3.23Å; T64-T83 PolarHBondContact OG1-OG1 2.88Å; T64-D106 WeakPolarHBondContact CA-OD2 3.25Å; T64-D106 VanDerWaalsContact CB-OD2 3.25Å; T64-D106 WeakPolarHBondContact CB-OD2 3.14Å; T64-D106 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D106 PolarHBondContact N-OD1 2.79Å; T64-D106 PolarHBondContact OG1-OD1 2.95Å; T64-D106 PolarHBondContact OG1-OD2 3.23Å |
| 65 | S | 94.8 | Very high | 93.4 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -37.4 | 178 | -49.9 | 0 | 0 | 0 | 0 | 112.4 | G62 K63 Q69 | G62-S65 PolarHBondContact O-N 2.71Å; K63-S65 PolarHBondContact O-N 3.24Å; S65-Q69 VanDerWaalsContact O-CB 3.3Å; S65-Q69 WeakPolarHBondContact O-CB 3.38Å; S65-Q69 PolarHBondContact O-N 3.31Å |
| 66 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 175 | -167.6 | 83.4 | 0 | 0 | 0 | 110.6 | G62 K63 T64 Q69 F70 L130 L162 V201 F205 | G62-L66 WeakPolarHBondContact O-CB 3.41Å; G62-L66 PolarHBondContact O-N 3.32Å; K63-L66 WeakPolarHBondContact O-CB 3.39Å; K63-L66 PolarHBondContact O-N 3.43Å; K63-L66 VanDerWaalsContact O-N 3.15Å; T64-L66 VanDerWaalsContact C-N 3.32Å; T64-L66 PolarHBondContact O-N 3.34Å; L66-Q69 PolarHBondContact O-N 3.15Å; L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.25Å; L66-L130 HydrophobicContact CB-CD2 4.27Å; L66-L130 HydrophobicContact CD2-CD1 4.41Å; L66-L130 HydrophobicContact CD2-CD2 3.92Å; L66-L130 HydrophobicContact CD2-CG 4.45Å; L66-L162 HydrophobicContact CD2-CD1 3.71Å; L66-V201 HydrophobicContact CD1-CB 4.39Å; L66-V201 HydrophobicContact CD1-CG1 4.12Å; L66-V201 HydrophobicContact CD1-CG2 3.7Å; L66-V201 HydrophobicContact CG-CG1 4.29Å; L66-F205 HydrophobicContact CD2-CE2 4.04Å; L66-F205 HydrophobicContact CD2-CZ 4.23Å; L66-F205 HydrophobicContact CG-CE2 4.19Å |
| 67 | L | 95.9 | Very high | 92.4 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 176.9 | -177.4 | 51.8 | 0 | 0 | 0 | 112.1 | L55 K63 T64 Q69 F70 D71 T89 I104 D106 | L55-L67 HydrophobicContact CD1-CB 3.85Å; L55-L67 HydrophobicContact CD1-CD2 4.49Å; K63-L67 PolarHBondContact O-N 3.47Å; T64-L67 PolarHBondContact O-N 3.19Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.18Å; L67-F70 PolarHBondContact O-N 3.06Å; L67-D71 WeakPolarHBondContact O-CB 3.36Å; L67-D71 PolarHBondContact O-N 2.73Å; L67-T89 HydrophobicContact CD1-CG2 4.41Å; L67-I104 HydrophobicContact CD1-CB 4.02Å; L67-I104 HydrophobicContact CD1-CD1 3.78Å; L67-I104 HydrophobicContact CD1-CG2 3.73Å; L67-I104 HydrophobicContact CD2-CG2 4.17Å; L67-D106 HydrophobicContact CD2-CB 3.76Å |
| 68 | V | 93.8 | Very high | 91.2 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 19% | 0.188 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | T64 F70 D71 Q72 I76 | T64-V68 WeakPolarHBondContact O-CG2 3.41Å; T64-V68 PolarHBondContact O-N 3.23Å; V68-F70 PolarHBondContact O-N 2.93Å; V68-D71 PolarHBondContact O-N 3.46Å; V68-Q72 WeakPolarHBondContact O-CB 3.43Å; V68-Q72 PolarHBondContact O-N 3.23Å; V68-I76 HydrophobicContact CG1-CD1 4.21Å; V68-I76 HydrophobicContact CG1-CG1 4.45Å |
| 69 | Q | 96.3 | Very high | 90 | Very high | 30 Ų | 30 | 47.4 Ų | 47.4 | 14% | 0.14 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.3 | -177.5 | 64.8 | 22.1 | 0 | 0 | 111.7 | S65 L66 L67 G73 K74 A195 V201 | S65-Q69 VanDerWaalsContact O-CB 3.3Å; S65-Q69 WeakPolarHBondContact O-CB 3.38Å; S65-Q69 PolarHBondContact O-N 3.31Å; L66-Q69 PolarHBondContact O-N 3.15Å; L67-Q69 VanDerWaalsContact C-N 3.3Å; L67-Q69 PolarHBondContact O-N 3.18Å; Q69-G73 WeakPolarHBondContact O-CA 3.48Å; Q69-G73 PolarHBondContact O-N 2.99Å; Q69-K74 WeakPolarHBondContact CA-O 3.4Å; Q69-K74 PolarHBondContact N-O 3.27Å; Q69-K74 PolarHBondContact OE1-O 3.5Å; Q69-A195 HydrophobicContact CB-CB 4.48Å; Q69-A195 VanDerWaalsContact CD-O 3.3Å; Q69-A195 VanDerWaalsContact CG-O 3.28Å; Q69-A195 WeakPolarHBondContact CG-O 3.31Å; Q69-A195 PolarHBondContact OE1-O 3.06Å; Q69-V201 HydrophobicContact CB-CG1 4.24Å; Q69-V201 HydrophobicContact CG-CB 4.25Å; Q69-V201 HydrophobicContact CG-CG1 4.09Å; Q69-V201 HydrophobicContact CG-CG2 3.98Å |
| 70 | F | 97.2 | Very high | 88.7 | Confident | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.2 | -43.5 | 176.2 | 176.6 | -122.1 | 0 | 0 | 0 | 112.6 | L66 L67 V68 K91 V93 L102 I104 V201 E202 F205 | L66-F70 WeakPolarHBondContact O-CB 3.45Å; L66-F70 PolarHBondContact O-N 3.25Å; L67-F70 PolarHBondContact O-N 3.06Å; V68-F70 PolarHBondContact O-N 2.93Å; F70-K91 HydrophobicContact CD1-CG 4.34Å; F70-K91 HydrophobicContact CE1-CB 3.83Å; F70-K91 HydrophobicContact CE1-CD 4.48Å; F70-K91 HydrophobicContact CE1-CG 3.53Å; F70-K91 HydrophobicContact CZ-CB 4.43Å; F70-K91 HydrophobicContact CZ-CG 3.75Å; F70-V93 HydrophobicContact CZ-CG2 3.71Å; F70-L102 HydrophobicContact CE1-CD1 4.48Å; F70-L102 HydrophobicContact CZ-CD1 4.49Å; F70-I104 HydrophobicContact CD1-CD1 3.78Å; F70-I104 HydrophobicContact CE1-CD1 3.59Å; F70-V201 HydrophobicContact CB-CG1 3.78Å; F70-E202 VanDerWaalsContact CD2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CD2-OE2 3.26Å; F70-E202 VanDerWaalsContact CE2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CE2-OE2 3.36Å; F70-F205 HydrophobicContact CB-CD2 3.74Å; F70-F205 HydrophobicContact CB-CE2 3.57Å; F70-F205 HydrophobicContact CB-CZ 4.26Å; F70-F205 HydrophobicContact CD1-CB 4.26Å; F70-F205 AromaticContact CD1-CD1 3.8Å; F70-F205 HydrophobicContact CD1-CD1 3.8Å; F70-F205 AromaticContact CD1-CD2 3.67Å; F70-F205 HydrophobicContact CD1-CD2 3.67Å; F70-F205 AromaticContact CD1-CE1 3.99Å; F70-F205 HydrophobicContact CD1-CE1 3.99Å; F70-F205 AromaticContact CD1-CE2 3.89Å; F70-F205 HydrophobicContact CD1-CE2 3.89Å; F70-F205 AromaticContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CZ 4.04Å; F70-F205 HydrophobicContact CD2-CB 3.89Å; F70-F205 AromaticContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CE2 4.27Å; F70-F205 AromaticContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CE1-CB 3.83Å; F70-F205 AromaticContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD2 4.13Å; F70-F205 HydrophobicContact CE1-CE1 4.3Å; F70-F205 AromaticContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE2-CB 3.44Å; F70-F205 VanDerWaalsContact CE2-CB 3.44Å; F70-F205 HydrophobicContact CE2-CD2 4.02Å; F70-F205 AromaticContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CG-CB 4.28Å; F70-F205 HydrophobicContact CG-CD1 4.34Å; F70-F205 AromaticContact CG-CD2 3.34Å; F70-F205 HydrophobicContact CG-CD2 3.34Å; F70-F205 AromaticContact CG-CE2 3.64Å; F70-F205 HydrophobicContact CG-CE2 3.64Å; F70-F205 AromaticContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CZ 4.25Å; F70-F205 HydrophobicContact CZ-CB 3.39Å; F70-F205 HydrophobicContact CZ-CD1 4.21Å; F70-F205 HydrophobicContact CZ-CD2 4.29Å; F70-F205 AromaticContact CZ-CG 3.73Å; F70-F205 HydrophobicContact CZ-CG 3.73Å |
| 71 | D | 94.5 | Very high | 87.5 | Confident | 36 Ų | 36 | 54.8 Ų | 54.8 | 19% | 0.193 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -74 | -44 | -176.8 | -177.1 | 45.2 | 0 | 0 | 0 | 112.1 | L67 V68 T89 K91 | L67-D71 WeakPolarHBondContact O-CB 3.36Å; L67-D71 PolarHBondContact O-N 2.73Å; V68-D71 PolarHBondContact O-N 3.46Å; D71-T89 HydrophobicContact CB-CG2 4.32Å; D71-K91 PolarHBondContact O-NZ 3.27Å; D71-K91 WeakPolarHBondContact OD1-CD 3.34Å; D71-K91 IonicContact OD1-NZ 3.77Å; D71-K91 PolarHBondContact OD1-NZ 3.06Å |
| 72 | Q | 93.2 | Very high | 86.3 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -114.6 | -7.3 | -167.7 | -55.5 | 178.5 | 18.3 | 0 | 0 | 113.8 | V68 K74 | V68-Q72 WeakPolarHBondContact O-CB 3.43Å; V68-Q72 PolarHBondContact O-N 3.23Å; Q72-K74 HydrophobicContact CB-CB 4.37Å; Q72-K74 HydrophobicContact CB-CD 4.47Å; Q72-K74 PolarHBondContact O-N 3.44Å |
| 73 | G | 92.9 | Very high | 84.9 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 55% | 0.546 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 66.4 | 21.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q69 | Q69-G73 WeakPolarHBondContact O-CA 3.48Å; Q69-G73 PolarHBondContact O-N 2.99Å |
| 74 | K | 90.9 | Very high | 83.4 | Confident | 130 Ų | 130 | 64.8 Ų | 64.8 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | trans | -127.8 | 145.7 | -172 | -68.6 | 174.4 | -172.3 | 175.3 | 0 | 112.3 | Q69 Q72 | Q69-K74 WeakPolarHBondContact CA-O 3.4Å; Q69-K74 PolarHBondContact N-O 3.27Å; Q69-K74 PolarHBondContact OE1-O 3.5Å; Q72-K74 HydrophobicContact CB-CB 4.37Å; Q72-K74 HydrophobicContact CB-CD 4.47Å; Q72-K74 PolarHBondContact O-N 3.44Å | ||
| 75 | F | 90.3 | Very high | 82.1 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 31% | 0.311 | 39% | 0.393 | S | S | . | . | trans | -108.8 | 133.3 | 166 | -177.5 | -103 | 0 | 0 | 0 | 109.4 | P77 A195 K196 | F75-P77 HydrophobicContact CD1-CG 4.07Å; F75-P77 HydrophobicContact CE1-CB 4.27Å; F75-P77 HydrophobicContact CE1-CG 4.23Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; F75-A195 HydrophobicContact CD2-CB 4.32Å; F75-K196 HydrophobicContact CD1-CB 4.31Å; F75-K196 HydrophobicContact CD1-CG 3.91Å; F75-K196 HydrophobicContact CD2-CB 4.14Å; F75-K196 HydrophobicContact CE1-CB 4.36Å; F75-K196 HydrophobicContact CE1-CG 4.01Å; F75-K196 HydrophobicContact CE2-CB 4.19Å; F75-K196 HydrophobicContact CG-CB 4.19Å; F75-K196 HydrophobicContact CG-CG 4.23Å; F75-K196 HydrophobicContact CZ-CB 4.3Å; F75-K196 HydrophobicContact CZ-CG 4.41Å | ||
| 76 | I | 86.6 | Confident | 81 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | trans | -105.6 | 100.7 | 178 | -56 | 175 | 0 | 0 | 0 | 108.2 | V68 | V68-I76 HydrophobicContact CG1-CD1 4.21Å; V68-I76 HydrophobicContact CG1-CG1 4.45Å | ||
| 77 | P | 77.3 | Confident | 80.2 | Confident | 102 Ų | 102 | 66.3 Ų | 66.3 | 66% | 0.662 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 147.1 | 177.2 | -15.3 | 29.5 | 0 | 0 | 0 | 110.7 | F75 S79 | F75-P77 HydrophobicContact CD1-CG 4.07Å; F75-P77 HydrophobicContact CE1-CB 4.27Å; F75-P77 HydrophobicContact CE1-CG 4.23Å; F75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-S79 PolarHBondContact O-N 2.93Å |
| 78 | G | 68.7 | Low | 79.7 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 56% | 0.557 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -7.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F80 | G78-F80 VanDerWaalsContact CA-CE2 3.49Å; G78-F80 PolarHBondContact O-N 2.99Å |
| 79 | S | 64.5 | Low | 79.6 | Confident | 71 Ų | 71 | 69.9 Ų | 69.9 | 50% | 0.497 | 42% | 0.416 | S | S | . | . | trans | -78.7 | 71.8 | 172.4 | -167.7 | 0 | 0 | 0 | 0 | 110.5 | P77 | P77-S79 PolarHBondContact O-N 2.93Š| ||
| 80 | F | 63 | Low | 79.5 | Confident | 181 Ų | 181 | 72 Ų | 72 | 79% | 0.794 | 43% | 0.428 | S | S | * | . | trans | -97.4 | 8.1 | 178.1 | -58.4 | -70.9 | 0 | 0 | 0 | 113.2 | G78 A82 | G78-F80 VanDerWaalsContact CA-CE2 3.49Å; G78-F80 PolarHBondContact O-N 2.99Å; F80-A82 PolarHBondContact O-N 2.91Å | ||
| 81 | S | 64.4 | Low | 79.4 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 59% | 0.587 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 127.4 | 178 | -61 | 0 | 0 | 0 | 0 | 109.7 | T83 | S81-T83 PolarHBondContact O-N 3.22Š|
| 82 | A | 69.6 | Low | 79.5 | Confident | 53 Ų | 53 | 77.4 Ų | 77.4 | 44% | 0.438 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 128.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.6 | F80 V84 | F80-A82 PolarHBondContact O-N 2.91Å; A82-V84 PolarHBondContact O-N 3.38Å |
| 83 | T | 64.6 | Low | 79.5 | Confident | 40 Ų | 40 | 73 Ų | 73 | 25% | 0.245 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 120.2 | 174.5 | -48.8 | 0 | 0 | 0 | 0 | 108.6 | T64 S81 A108 | T64-T83 PolarHBondContact OG1-OG1 2.88Å; S81-T83 PolarHBondContact O-N 3.22Å; T83-A108 WeakPolarHBondContact O-CB 3.36Å |
| 84 | V | 63.1 | Low | 79.6 | Confident | 138 Ų | 138 | 74.6 Ų | 74.6 | 84% | 0.836 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -94.5 | 116.8 | 174.7 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | A82 | A82-V84 PolarHBondContact O-N 3.38Š|
| 85 | G | 66.2 | Low | 79.5 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 82.8 | -146.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A108 | G85-A108 VanDerWaalsContact O-CB 3.31Å; G85-A108 WeakPolarHBondContact O-CB 3.38Å; G85-A108 PolarHBondContact O-N 2.93Å |
| 86 | I | 71.5 | Confident | 79.4 | Confident | 54 Ų | 54 | 69.8 Ų | 69.8 | 28% | 0.277 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 123.1 | -175.9 | -55.9 | 176 | 0 | 0 | 0 | 108.8 | W105 D106 T107 Y120 | I86-W105 HydrophobicContact CG2-CB 4.18Å; I86-W105 HydrophobicContact CG2-CE3 3.72Å; I86-D106 CarbonylContact C-O 3.56Å; I86-D106 VanDerWaalsContact CA-O 3.24Å; I86-D106 WeakPolarHBondContact CA-O 3.45Å; I86-D106 WeakPolarHBondContact CG2-O 3.42Å; I86-T107 HydrophobicContact CG2-CG2 4.32Å; I86-Y120 HydrophobicContact CD1-CD1 4.28Å; I86-Y120 HydrophobicContact CD1-CD2 3.63Å; I86-Y120 HydrophobicContact CD1-CE1 3.91Å; I86-Y120 HydrophobicContact CD1-CE2 3.2Å; I86-Y120 HydrophobicContact CD1-CG 4.17Å |
| 87 | G | 79.9 | Confident | 79.5 | Confident | 14 Ų | 14 | 72.9 Ų | 72.9 | 14% | 0.144 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 151.7 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | W105 D106 | G87-W105 CarbonylContact O-C 3.55Å; G87-W105 WeakPolarHBondContact O-CA 3.18Å; G87-D106 PolarHBondContact N-O 3.04Å; G87-D106 PolarHBondContact O-N 3.47Å |
| 88 | F | 86.3 | Confident | 80.1 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 41% | 0.408 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 130.9 | 178.9 | 176.6 | -99.8 | 0 | 0 | 0 | 110.9 | N90 Q103 I104 W105 | F88-N90 WeakPolarHBondContact CE1-ND2 3.47Å; F88-Q103 HydrophobicContact CE2-CB 3.8Å; F88-Q103 HydrophobicContact CE2-CG 3.95Å; F88-Q103 HydrophobicContact CZ-CB 4.18Å; F88-Q103 HydrophobicContact CZ-CG 3.82Å; F88-I104 WeakPolarHBondContact CA-O 3.14Å; F88-W105 AromaticContact CD2-CD2 3.87Å; F88-W105 HydrophobicContact CD2-CD2 3.87Å; F88-W105 AromaticContact CD2-CE2 3.56Å; F88-W105 HydrophobicContact CD2-CE3 4.32Å; F88-W105 HydrophobicContact CD2-CG 4.32Å; F88-W105 HydrophobicContact CD2-CH2 4.28Å; F88-W105 AromaticContact CD2-CZ2 3.8Å; F88-W105 HydrophobicContact CD2-CZ2 3.8Å; F88-W105 AromaticContact CD2-NE1 3.77Å; F88-W105 AromaticContact CE2-CE2 3.8Å; F88-W105 AromaticContact CE2-CZ2 3.91Å; F88-W105 HydrophobicContact CE2-CZ2 3.91Å; F88-W105 AromaticContact CE2-NE1 3.73Å |
| 89 | T | 91.6 | Very high | 81.2 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 14% | 0.135 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 131.9 | 179.1 | -59 | 0 | 0 | 0 | 0 | 110.2 | L67 D71 I104 | L67-T89 HydrophobicContact CD1-CG2 4.41Å; D71-T89 HydrophobicContact CB-CG2 4.32Å; T89-I104 PolarHBondContact N-O 2.92Å; T89-I104 PolarHBondContact O-N 3.36Å |
| 90 | N | 93.7 | Very high | 82.7 | Confident | 75 Ų | 75 | 69.8 Ų | 69.8 | 40% | 0.401 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.9 | 168.2 | -78.3 | -54.7 | 0 | 0 | 0 | 109.3 | F88 K101 L102 Q103 | F88-N90 WeakPolarHBondContact CE1-ND2 3.47Å; N90-K101 WeakPolarHBondContact OD1-CE 3.44Å; N90-L102 WeakPolarHBondContact CA-O 3.36Å; N90-Q103 VanDerWaalsContact OD1-CG 3.28Å; N90-Q103 WeakPolarHBondContact OD1-CG 3.48Å |
| 91 | K | 95.1 | Very high | 84.3 | Confident | 53 Ų | 53 | 65.3 Ų | 65.3 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130 | 173.5 | -168.7 | 77.1 | 173.8 | -163.9 | 0 | 110.8 | F70 D71 L102 I104 | F70-K91 HydrophobicContact CD1-CG 4.34Å; F70-K91 HydrophobicContact CE1-CB 3.83Å; F70-K91 HydrophobicContact CE1-CD 4.48Å; F70-K91 HydrophobicContact CE1-CG 3.53Å; F70-K91 HydrophobicContact CZ-CB 4.43Å; F70-K91 HydrophobicContact CZ-CG 3.75Å; D71-K91 PolarHBondContact O-NZ 3.27Å; D71-K91 WeakPolarHBondContact OD1-CD 3.34Å; D71-K91 IonicContact OD1-NZ 3.77Å; D71-K91 PolarHBondContact OD1-NZ 3.06Å; K91-L102 PolarHBondContact N-O 3.18Å; K91-L102 PolarHBondContact O-N 3.21Å; K91-I104 HydrophobicContact CB-CD1 4.27Å |
| 92 | E | 95.3 | Very high | 85.9 | Confident | 103 Ų | 103 | 61.3 Ų | 61.3 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 130 | 170.9 | -170.1 | 176.2 | 99.8 | 0 | 0 | 109.9 | K99 V100 | E92-K99 HydrophobicContact CG-CB 4Å; E92-K99 HydrophobicContact CG-CG 4.23Å; E92-K99 WeakPolarHBondContact OE1-CD 3.43Å; E92-K99 WeakPolarHBondContact OE1-CE 3.48Å; E92-K99 WeakPolarHBondContact OE1-CG 3.43Å; E92-K99 IonicContact OE1-NZ 2.71Å; E92-K99 PolarHBondContact OE1-NZ 2.99Å; E92-K99 IonicContact OE2-NZ 3.18Å; E92-V100 WeakPolarHBondContact CA-O 3.19Å |
| 93 | V | 95.1 | Very high | 87.1 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.1 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | F70 V95 V100 L102 A209 | F70-V93 HydrophobicContact CZ-CG2 3.71Å; V93-V95 HydrophobicContact CG1-CG2 3.9Å; V93-V100 PolarHBondContact N-O 3.21Å; V93-V100 PolarHBondContact O-N 3.32Å; V93-L102 HydrophobicContact CG2-CD1 3.88Å; V93-L102 HydrophobicContact CG2-CG 4.22Å; V93-A209 HydrophobicContact CB-CB 4.22Å; V93-A209 HydrophobicContact CG1-CB 4.21Å |
| 94 | T | 93.1 | Very high | 88.5 | Confident | 88 Ų | 88 | 59.7 Ų | 59.7 | 54% | 0.54 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.1 | 176.3 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | V98 | T94-V98 CarbonylContact C-O 3.57Å; T94-V98 WeakPolarHBondContact CA-O 3.21Å |
| 95 | V | 90.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 117.2 | -179.9 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | V93 N97 V98 T206 A209 K210 K213 | V93-V95 HydrophobicContact CG1-CG2 3.9Å; V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.32Å; V95-V98 PolarHBondContact N-O 2.8Å; V95-V98 PolarHBondContact O-N 2.89Å; V95-T206 HydrophobicContact CG2-CG2 4.38Å; V95-A209 HydrophobicContact CG2-CB 3.92Å; V95-K210 HydrophobicContact CG1-CB 3.62Å; V95-K210 HydrophobicContact CG1-CD 3.77Å; V95-K210 HydrophobicContact CG1-CG 3.62Å; V95-K213 PolarHBondContact O-NZ 2.9Å |
| 96 | D | 88.2 | Confident | 90.9 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 51% | 0.508 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 49.5 | -174.6 | -37.5 | -54.4 | 0 | 0 | 0 | 111.8 | V98 K210 K213 | D96-V98 PolarHBondContact O-N 3.27Å; D96-V98 VanDerWaalsContact O-N 3.16Å; D96-K210 IonicContact OD1-NZ 3.15Å; D96-K210 PolarHBondContact OD1-NZ 3.42Å; D96-K210 WeakPolarHBondContact OD2-CE 3.42Å; D96-K210 IonicContact OD2-NZ 3.51Å; D96-K210 PolarHBondContact OD2-NZ 2.93Å; D96-K210 VanDerWaalsContact OD2-NZ 3.15Å; D96-K213 VanDerWaalsContact CB-NZ 3.3Å; D96-K213 IonicContact OD2-NZ 3.65Å; D96-K213 PolarHBondContact OD2-NZ 3.49Å |
| 97 | N | 87.4 | Confident | 91.3 | Very high | 158 Ų | 158 | 51.9 Ų | 51.9 | 85% | 0.845 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 9.7 | -177.5 | -54.8 | -34.1 | 0 | 0 | 0 | 116.1 | V95 | V95-N97 VanDerWaalsContact C-N 3.28Å; V95-N97 PolarHBondContact O-N 3.32Å |
| 98 | V | 90.3 | Very high | 91 | Very high | 31 Ų | 31 | 51.7 Ų | 51.7 | 19% | 0.188 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.5 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 109.3 | L49 T94 V95 D96 K213 | L49-V98 HydrophobicContact CD1-CG1 3.58Å; T94-V98 CarbonylContact C-O 3.57Å; T94-V98 WeakPolarHBondContact CA-O 3.21Å; V95-V98 PolarHBondContact N-O 2.8Å; V95-V98 PolarHBondContact O-N 2.89Å; D96-V98 PolarHBondContact O-N 3.27Å; D96-V98 VanDerWaalsContact O-N 3.16Å; V98-K213 HydrophobicContact CB-CD 3.8Å; V98-K213 HydrophobicContact CG1-CD 4.02Å; V98-K213 HydrophobicContact CG2-CD 4.25Å |
| 99 | K | 92.9 | Very high | 89.7 | Confident | 131 Ų | 131 | 47.6 Ų | 47.6 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126.6 | 176 | -69.6 | 171.6 | 166.7 | -131.2 | 0 | 109.9 | E92 | E92-K99 HydrophobicContact CG-CB 4Å; E92-K99 HydrophobicContact CG-CG 4.23Å; E92-K99 WeakPolarHBondContact OE1-CD 3.43Å; E92-K99 WeakPolarHBondContact OE1-CE 3.48Å; E92-K99 WeakPolarHBondContact OE1-CG 3.43Å; E92-K99 IonicContact OE1-NZ 2.71Å; E92-K99 PolarHBondContact OE1-NZ 2.99Å; E92-K99 IonicContact OE2-NZ 3.18Å |
| 100 | V | 95.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | L49 E92 V93 L102 A209 K213 | L49-V100 HydrophobicContact CB-CG1 4.43Å; L49-V100 HydrophobicContact CD1-CG2 4.16Å; E92-V100 WeakPolarHBondContact CA-O 3.19Å; V93-V100 PolarHBondContact N-O 3.21Å; V93-V100 PolarHBondContact O-N 3.32Å; V100-L102 HydrophobicContact CG1-CD2 4.21Å; V100-A209 HydrophobicContact CB-CB 4.31Å; V100-A209 HydrophobicContact CG1-CB 4.14Å; V100-K213 HydrophobicContact CG2-CB 3.98Å; V100-K213 HydrophobicContact CG2-CD 4.33Å; V100-K213 HydrophobicContact CG2-CG 4.32Å |
| 101 | K | 96.4 | Very high | 86.2 | Confident | 86 Ų | 86 | 50.7 Ų | 50.7 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 110.9 | 178.9 | -174.1 | 176.9 | -175 | 175.5 | 0 | 110.2 | L49 V50 H51 N90 | L49-K101 PolarHBondContact O-N 2.71Å; V50-K101 CarbonylContact C-O 3.44Å; V50-K101 WeakPolarHBondContact CA-O 3.22Å; V50-K101 HydrophobicContact CG1-CD 4.36Å; V50-K101 HydrophobicContact CG1-CG 4.44Å; V50-K101 HydrophobicContact CG2-CB 4.19Å; V50-K101 HydrophobicContact CG2-CD 4.04Å; H51-K101 PolarHBondContact N-O 3.39Å; N90-K101 WeakPolarHBondContact OD1-CE 3.44Å |
| 102 | L | 96.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 123.8 | 172.3 | -57.8 | -176.7 | 0 | 0 | 0 | 110.2 | H51 F70 N90 K91 V93 V100 I104 F205 A209 L212 | H51-L102 HydrophobicContact CB-CD2 4.4Å; H51-L102 WeakPolarHBondContact O-CA 3.28Å; F70-L102 HydrophobicContact CE1-CD1 4.48Å; F70-L102 HydrophobicContact CZ-CD1 4.49Å; N90-L102 WeakPolarHBondContact CA-O 3.36Å; K91-L102 PolarHBondContact N-O 3.18Å; K91-L102 PolarHBondContact O-N 3.21Å; V93-L102 HydrophobicContact CG2-CD1 3.88Å; V93-L102 HydrophobicContact CG2-CG 4.22Å; V100-L102 HydrophobicContact CG1-CD2 4.21Å; L102-I104 HydrophobicContact CB-CD1 4.1Å; L102-I104 HydrophobicContact CB-CG1 3.84Å; L102-F205 HydrophobicContact CD1-CB 4.28Å; L102-F205 HydrophobicContact CD1-CD1 4.17Å; L102-A209 HydrophobicContact CD1-CB 4.34Å; L102-A209 HydrophobicContact CD2-CB 4.2Å; L102-L212 HydrophobicContact CD2-CD1 4.19Å |
| 103 | Q | 95.4 | Very high | 82.4 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 28% | 0.276 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 93.6 | 169.3 | -82.4 | -173.5 | -12.9 | 0 | 0 | 108.4 | V50 H51 K52 T53 F88 N90 W105 | V50-Q103 HydrophobicContact CG1-CG 3.73Å; H51-Q103 PolarHBondContact O-N 2.97Å; K52-Q103 WeakPolarHBondContact CA-O 3.39Å; T53-Q103 PolarHBondContact N-O 3.44Å; T53-Q103 VanDerWaalsContact O-O 3.11Å; F88-Q103 HydrophobicContact CE2-CB 3.8Å; F88-Q103 HydrophobicContact CE2-CG 3.95Å; F88-Q103 HydrophobicContact CZ-CB 4.18Å; F88-Q103 HydrophobicContact CZ-CG 3.82Å; N90-Q103 VanDerWaalsContact OD1-CG 3.28Å; N90-Q103 WeakPolarHBondContact OD1-CG 3.48Å; Q103-W105 VanDerWaalsContact O-CD1 3.26Å |
| 104 | I | 94.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.8 | -168.7 | -51.7 | 166 | 0 | 0 | 0 | 110.2 | T53 L55 L67 F70 F88 T89 K91 L102 F205 | T53-I104 CarbonylContact O-C 3.54Å; T53-I104 VanDerWaalsContact O-CA 3.27Å; T53-I104 WeakPolarHBondContact O-CA 3.33Å; L55-I104 HydrophobicContact CD1-CG2 4.31Å; L55-I104 HydrophobicContact CD2-CG2 4.17Å; L55-I104 HydrophobicContact CG-CG2 4.01Å; L67-I104 HydrophobicContact CD1-CB 4.02Å; L67-I104 HydrophobicContact CD1-CD1 3.78Å; L67-I104 HydrophobicContact CD1-CG2 3.73Å; L67-I104 HydrophobicContact CD2-CG2 4.17Å; F70-I104 HydrophobicContact CD1-CD1 3.78Å; F70-I104 HydrophobicContact CE1-CD1 3.59Å; F88-I104 WeakPolarHBondContact CA-O 3.14Å; T89-I104 PolarHBondContact N-O 2.92Å; T89-I104 PolarHBondContact O-N 3.36Å; K91-I104 HydrophobicContact CB-CD1 4.27Å; L102-I104 HydrophobicContact CB-CD1 4.1Å; L102-I104 HydrophobicContact CB-CG1 3.84Å; I104-F205 HydrophobicContact CD1-CD1 3.97Å; I104-F205 HydrophobicContact CD1-CE1 3.73Å; I104-F205 HydrophobicContact CG1-CE1 4.38Å; I104-F205 HydrophobicContact CG2-CE1 4.31Å |
| 105 | W | 91.1 | Very high | 78.9 | Confident | 61 Ų | 61 | 59 Ų | 59 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 113.2 | 177.9 | -60.8 | 73.8 | 0 | 0 | 0 | 109.5 | T53 I54 L55 I86 G87 F88 Q103 Y120 | T53-W105 PolarHBondContact O-N 3.13Å; I54-W105 HydrophobicContact CB-CB 4.5Å; I54-W105 HydrophobicContact CG1-CB 4.18Å; I54-W105 HydrophobicContact CG1-CG 4.49Å; I54-W105 HydrophobicContact CG2-CB 4.29Å; L55-W105 PolarHBondContact N-O 3.23Å; I86-W105 HydrophobicContact CG2-CB 4.18Å; I86-W105 HydrophobicContact CG2-CE3 3.72Å; G87-W105 CarbonylContact O-C 3.55Å; G87-W105 WeakPolarHBondContact O-CA 3.18Å; F88-W105 AromaticContact CD2-CD2 3.87Å; F88-W105 HydrophobicContact CD2-CD2 3.87Å; F88-W105 AromaticContact CD2-CE2 3.56Å; F88-W105 HydrophobicContact CD2-CE3 4.32Å; F88-W105 HydrophobicContact CD2-CG 4.32Å; F88-W105 HydrophobicContact CD2-CH2 4.28Å; F88-W105 AromaticContact CD2-CZ2 3.8Å; F88-W105 HydrophobicContact CD2-CZ2 3.8Å; F88-W105 AromaticContact CD2-NE1 3.77Å; F88-W105 AromaticContact CE2-CE2 3.8Å; F88-W105 AromaticContact CE2-CZ2 3.91Å; F88-W105 HydrophobicContact CE2-CZ2 3.91Å; F88-W105 AromaticContact CE2-NE1 3.73Å; Q103-W105 VanDerWaalsContact O-CD1 3.26Å; W105-Y120 HydrophobicContact CE3-CD1 4.08Å; W105-Y120 HydrophobicContact CE3-CE1 4.01Å; W105-Y120 HydrophobicContact CH2-CE1 4.42Å; W105-Y120 HydrophobicContact CZ3-CD1 4.19Å; W105-Y120 AromaticContact CZ3-CE1 3.75Å; W105-Y120 HydrophobicContact CZ3-CE1 3.75Å |
| 106 | D | 88.3 | Confident | 77.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.7 | 173.6 | -179.2 | 38.8 | 0 | 0 | 0 | 109.6 | K63 T64 L67 I86 G87 | K63-D106 WeakPolarHBondContact CB-OD1 3.43Å; T64-D106 WeakPolarHBondContact CA-OD2 3.25Å; T64-D106 VanDerWaalsContact CB-OD2 3.25Å; T64-D106 WeakPolarHBondContact CB-OD2 3.14Å; T64-D106 WeakPolarHBondContact CG2-OD2 3.42Å; T64-D106 PolarHBondContact N-OD1 2.79Å; T64-D106 PolarHBondContact OG1-OD1 2.95Å; T64-D106 PolarHBondContact OG1-OD2 3.23Å; L67-D106 HydrophobicContact CD2-CB 3.76Å; I86-D106 CarbonylContact C-O 3.56Å; I86-D106 VanDerWaalsContact CA-O 3.24Å; I86-D106 WeakPolarHBondContact CA-O 3.45Å; I86-D106 WeakPolarHBondContact CG2-O 3.42Å; G87-D106 PolarHBondContact N-O 3.04Å; G87-D106 PolarHBondContact O-N 3.47Å |
| 107 | T | 80.8 | Confident | 76.2 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 144.3 | -175.3 | 64.6 | 0 | 0 | 0 | 0 | 111.6 | I54 L55 K63 I86 G109 T117 | I54-T107 HydrophobicContact CG2-CG2 3.63Å; L55-T107 PolarHBondContact O-OG1 3.06Å; K63-T107 WeakPolarHBondContact CE-O 3.05Å; I86-T107 HydrophobicContact CG2-CG2 4.32Å; T107-G109 PolarHBondContact O-N 3.43Å; T107-T117 HydrophobicContact CG2-CG2 4.35Å |
| 108 | A | 72.9 | Confident | 75.3 | Confident | 11 Ų | 11 | 52.5 Ų | 52.5 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | trans | -57.2 | 122.7 | 164 | 0 | 0 | 0 | 0 | 0 | 109.6 | T83 G85 Q110 | T83-A108 WeakPolarHBondContact O-CB 3.36Å; G85-A108 VanDerWaalsContact O-CB 3.31Å; G85-A108 WeakPolarHBondContact O-CB 3.38Å; G85-A108 PolarHBondContact O-N 2.93Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 VanDerWaalsContact O-N 3.07Å | ||
| 109 | G | 59 | Low | 74.1 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 7% | 0.072 | 27% | 0.269 | C | S | . | . | trans | -74.7 | 13.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D58 S59 T107 E111 | D58-G109 CarbonylContact C-O 3.48Å; S59-G109 WeakPolarHBondContact CA-O 3.5Å; S59-G109 WeakPolarHBondContact CB-O 3.47Å; S59-G109 PolarHBondContact N-O 3.41Å; T107-G109 PolarHBondContact O-N 3.43Å; G109-E111 PolarHBondContact O-N 3.18Å | ||
| 110 | Q | 57.9 | Low | 72.8 | Confident | 51 Ų | 51 | 51.7 Ų | 51.7 | 24% | 0.238 | 26% | 0.255 | C | S | . | . | trans | -75.9 | 115.7 | 177 | -83.4 | -145 | -0.1 | 0 | 0 | 109.8 | A108 R112 F113 | A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 VanDerWaalsContact O-N 3.07Å; Q110-R112 PolarHBondContact O-N 2.67Å; Q110-F113 HydrophobicContact CB-CD2 3.65Å; Q110-F113 HydrophobicContact CB-CE2 3.91Å; Q110-F113 PolarHBondContact O-N 2.88Å | ||
| 111 | E | 54.6 | Low | 71.6 | Confident | 110 Ų | 110 | 51.7 Ų | 51.7 | 51% | 0.514 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -48.3 | -26.6 | 173.1 | 64.2 | -66.1 | 152.9 | 0 | 0 | 113.6 | G109 F113 R114 | G109-E111 PolarHBondContact O-N 3.18Å; E111-F113 PolarHBondContact O-N 3.15Å; E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å |
| 112 | R | 53.9 | Low | 70.5 | Confident | 182 Ų | 182 | 56.2 Ų | 56.2 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -70.2 | -10.6 | 176.1 | -61.3 | -172.4 | -64.6 | -179.6 | 1.4 | 114.5 | Q110 | Q110-R112 PolarHBondContact O-N 2.67Š|
| 113 | F | 55.8 | Low | 69.8 | Low | 98 Ų | 98 | 60.3 Ų | 60.3 | 43% | 0.43 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -111.4 | 13.2 | 178.6 | -57.7 | -66.9 | 0 | 0 | 0 | 113.9 | Q110 E111 S115 V116 T117 | Q110-F113 HydrophobicContact CB-CD2 3.65Å; Q110-F113 HydrophobicContact CB-CE2 3.91Å; Q110-F113 PolarHBondContact O-N 2.88Å; E111-F113 PolarHBondContact O-N 3.15Å; F113-S115 PolarHBondContact O-N 3.48Å; F113-S115 VanDerWaalsContact O-N 3.12Å; F113-V116 HydrophobicContact CB-CB 4.37Å; F113-V116 HydrophobicContact CB-CG2 4.43Å; F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CA 3.42Å; F113-V116 VanDerWaalsContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CB 3.41Å; F113-V116 PolarHBondContact O-N 3.48Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.3Å |
| 114 | R | 58.7 | Low | 69.6 | Low | 54 Ų | 54 | 57.5 Ų | 57.5 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -50.7 | -38.5 | 179.7 | -80.8 | -175.2 | 164.5 | -171.2 | 2.6 | 113.9 | E111 V116 T117 H118 W145 E148 | E111-R114 WeakPolarHBondContact O-CG 3.48Å; E111-R114 PolarHBondContact O-N 3.11Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.48Å; R114-T117 WeakPolarHBondContact O-CB 3.5Å; R114-T117 PolarHBondContact O-N 3.35Å; R114-T117 VanDerWaalsContact O-N 3.11Å; R114-H118 PolarHBondContact O-CD2 3.17Å; R114-H118 PolarHBondContact O-N 2.93Å; R114-W145 HydrophobicContact CG-CH2 3.99Å; R114-W145 HydrophobicContact CG-CZ3 4.29Å; R114-E148 WeakPolarHBondContact CD-OE1 3.11Å; R114-E148 IonicContact CZ-OE1 2.7Å; R114-E148 IonicContact CZ-OE2 3.95Å; R114-E148 IonicContact NE-OE1 3.84Å; R114-E148 IonicContact NE-OE2 3.36Å; R114-E148 IonicContact NH1-OE1 3.62Å; R114-E148 PolarHBondContact NH1-OE1 3.07Å; R114-E148 IonicContact NH1-OE2 3.69Å |
| 115 | S | 57 | Low | 69.6 | Low | 93 Ų | 93 | 61 Ų | 61 | 65% | 0.65 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.6 | -31.3 | 175.1 | 55.4 | 0 | 0 | 0 | 0 | 113.9 | F113 | F113-S115 PolarHBondContact O-N 3.48Å; F113-S115 VanDerWaalsContact O-N 3.12Å |
| 116 | V | 57.3 | Low | 69.8 | Low | 68 Ų | 68 | 58 Ų | 58 | 41% | 0.412 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71 | -38 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | F113 R114 H118 A119 Y120 | F113-V116 HydrophobicContact CB-CB 4.37Å; F113-V116 HydrophobicContact CB-CG2 4.43Å; F113-V116 HydrophobicContact CD1-CG2 4.46Å; F113-V116 WeakPolarHBondContact O-CA 3.42Å; F113-V116 VanDerWaalsContact O-CB 3.3Å; F113-V116 WeakPolarHBondContact O-CB 3.41Å; F113-V116 PolarHBondContact O-N 3.48Å; R114-V116 VanDerWaalsContact C-N 3.3Å; R114-V116 PolarHBondContact O-N 3.48Å; V116-H118 VanDerWaalsContact C-N 3.3Å; V116-H118 PolarHBondContact O-N 3.5Å; V116-A119 PolarHBondContact O-N 3.41Å; V116-Y120 HydrophobicContact CG1-CE2 3.91Å; V116-Y120 WeakPolarHBondContact O-CD2 3.44Å; V116-Y120 WeakPolarHBondContact O-CE2 3.27Å |
| 117 | T | 63.5 | Low | 70.1 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.043 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.7 | -32.2 | 179.6 | -36.5 | 0 | 0 | 0 | 0 | 112.7 | V56 T107 F113 R114 A119 Y120 Y121 | V56-T117 HydrophobicContact CG1-CG2 4.49Å; T107-T117 HydrophobicContact CG2-CG2 4.35Å; F113-T117 PolarHBondContact O-N 2.87Å; F113-T117 PolarHBondContact O-OG1 3.3Å; R114-T117 WeakPolarHBondContact O-CB 3.5Å; R114-T117 PolarHBondContact O-N 3.35Å; R114-T117 VanDerWaalsContact O-N 3.11Å; T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.83Å; T117-Y120 PolarHBondContact O-N 2.88Å; T117-Y121 HydrophobicContact CG2-CD1 4.27Å; T117-Y121 HydrophobicContact CG2-CE1 3.33Å; T117-Y121 HydrophobicContact CG2-CE2 4.49Å; T117-Y121 VanDerWaalsContact CG2-CZ 3.46Å; T117-Y121 VanDerWaalsContact CG2-OH 3.28Å; T117-Y121 WeakPolarHBondContact CG2-OH 3.18Å; T117-Y121 WeakPolarHBondContact O-CD1 3.34Å; T117-Y121 PolarHBondContact O-N 2.89Å |
| 118 | H | 69.1 | Low | 70.9 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 21% | 0.213 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57 | -39 | 177.9 | -66.2 | -172.7 | 0 | 0 | 0 | 112.8 | R114 V116 Y120 Y121 Y152 | R114-H118 PolarHBondContact O-CD2 3.17Å; R114-H118 PolarHBondContact O-N 2.93Å; V116-H118 VanDerWaalsContact C-N 3.3Å; V116-H118 PolarHBondContact O-N 3.5Å; H118-Y120 PolarHBondContact O-N 3.44Å; H118-Y121 AromaticContact CD2-CE2 3.68Å; H118-Y121 PolarHBondContact O-N 2.79Å; H118-Y152 HydrophobicContact CB-CG 4.44Å; H118-Y152 AromaticContact CE1-CD2 3.57Å; H118-Y152 AromaticContact CE1-CE2 3.24Å; H118-Y152 WeakPolarHBondContact CE1-CE2 3.38Å; H118-Y152 AromaticContact CE1-CZ 3.62Å; H118-Y152 AromaticContact ND1-CD1 3.95Å; H118-Y152 AromaticContact ND1-CD2 3.71Å; H118-Y152 AromaticContact ND1-CE1 3.78Å; H118-Y152 AromaticContact ND1-CE2 3.6Å; H118-Y152 AromaticContact ND1-CG 3.93Å; H118-Y152 AromaticContact ND1-CZ 3.64Å; H118-Y152 AromaticContact NE2-CD2 3.8Å; H118-Y152 AromaticContact NE2-CE2 3.84Å |
| 119 | A | 63.8 | Low | 72 | Confident | 72 Ų | 72 | 57.2 Ų | 57.2 | 60% | 0.595 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63 | -26.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V116 T117 | V116-A119 PolarHBondContact O-N 3.41Å; T117-A119 VanDerWaalsContact C-N 3.27Å; T117-A119 PolarHBondContact O-N 2.83Å |
| 120 | Y | 66.9 | Low | 73.8 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 29% | 0.286 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -85.3 | -26.2 | -179.2 | -65.4 | -88.5 | 0 | 0 | 0 | 113 | K52 I54 I86 W105 V116 T117 H118 R122 | K52-Y120 WeakPolarHBondContact CE-O 3.09Å; K52-Y120 PolarHBondContact NZ-O 2.91Å; I54-Y120 VanDerWaalsContact CD1-O 3.24Å; I54-Y120 WeakPolarHBondContact CD1-O 3.29Å; I86-Y120 HydrophobicContact CD1-CD1 4.28Å; I86-Y120 HydrophobicContact CD1-CD2 3.63Å; I86-Y120 HydrophobicContact CD1-CE1 3.91Å; I86-Y120 HydrophobicContact CD1-CE2 3.2Å; I86-Y120 HydrophobicContact CD1-CG 4.17Å; W105-Y120 HydrophobicContact CE3-CD1 4.08Å; W105-Y120 HydrophobicContact CE3-CE1 4.01Å; W105-Y120 HydrophobicContact CH2-CE1 4.42Å; W105-Y120 HydrophobicContact CZ3-CD1 4.19Å; W105-Y120 AromaticContact CZ3-CE1 3.75Å; W105-Y120 HydrophobicContact CZ3-CE1 3.75Å; V116-Y120 HydrophobicContact CG1-CE2 3.91Å; V116-Y120 WeakPolarHBondContact O-CD2 3.44Å; V116-Y120 WeakPolarHBondContact O-CE2 3.27Å; T117-Y120 PolarHBondContact O-N 2.88Å; H118-Y120 PolarHBondContact O-N 3.44Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 2.8Å |
| 121 | Y | 70.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.6 | -31.9 | 179.6 | -60.1 | -24.7 | 0 | 0 | 0 | 113.6 | V56 T117 H118 D123 A124 L127 W145 | V56-Y121 HydrophobicContact CG1-CE1 3.89Å; T117-Y121 HydrophobicContact CG2-CD1 4.27Å; T117-Y121 HydrophobicContact CG2-CE1 3.33Å; T117-Y121 HydrophobicContact CG2-CE2 4.49Å; T117-Y121 VanDerWaalsContact CG2-CZ 3.46Å; T117-Y121 VanDerWaalsContact CG2-OH 3.28Å; T117-Y121 WeakPolarHBondContact CG2-OH 3.18Å; T117-Y121 WeakPolarHBondContact O-CD1 3.34Å; T117-Y121 PolarHBondContact O-N 2.89Å; H118-Y121 AromaticContact CD2-CE2 3.68Å; H118-Y121 PolarHBondContact O-N 2.79Å; Y121-D123 PolarHBondContact O-N 2.77Å; Y121-D123 VanDerWaalsContact O-N 3.1Å; Y121-A124 WeakPolarHBondContact O-CB 3.15Å; Y121-A124 PolarHBondContact O-N 2.81Å; Y121-A124 VanDerWaalsContact O-N 3.07Å; Y121-L127 HydrophobicContact CD1-CD2 4.05Å; Y121-L127 HydrophobicContact CE1-CD2 4.2Å; Y121-W145 WeakPolarHBondContact OH-CZ3 3.2Å |
| 122 | R | 72.3 | Confident | 77.8 | Confident | 181 Ų | 181 | 49.6 Ų | 49.6 | 68% | 0.683 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -30.3 | -172.7 | -173.7 | 176.6 | -178.5 | 128.4 | 2.9 | 114.3 | Y120 Q154 | Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 2.8Å; R122-Q154 WeakPolarHBondContact O-CG 3.49Å; R122-Q154 PolarHBondContact O-NE2 3.15Å |
| 123 | D | 83.3 | Confident | 79.9 | Confident | 87 Ų | 87 | 40.9 Ų | 40.9 | 47% | 0.465 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.7 | 16.8 | -179.1 | -47 | -47.5 | 0 | 0 | 0 | 111.9 | K52 Y121 | K52-D123 HydrophobicContact CD-CB 4.42Å; K52-D123 WeakPolarHBondContact CD-O 3.37Å; Y121-D123 PolarHBondContact O-N 2.77Å; Y121-D123 VanDerWaalsContact O-N 3.1Å |
| 124 | A | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -75.6 | 126.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | I54 Y121 L127 V157 | I54-A124 HydrophobicContact CD1-CB 3.68Å; I54-A124 HydrophobicContact CG1-CB 4.05Å; Y121-A124 WeakPolarHBondContact O-CB 3.15Å; Y121-A124 PolarHBondContact O-N 2.81Å; Y121-A124 VanDerWaalsContact O-N 3.07Å; A124-L127 HydrophobicContact CB-CG 4.4Å; A124-V157 HydrophobicContact CB-CG2 4.3Å; A124-V157 WeakPolarHBondContact O-CG2 3.4Å | ||
| 125 | H | 94.5 | Very high | 83.8 | Confident | 72 Ų | 72 | 38.4 Ų | 38.4 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -86.9 | -29.2 | 169.3 | -52.3 | 98.3 | 0 | 0 | 0 | 110.9 | H51 K52 V158 L212 | H51-H125 HydrophobicContact CB-CB 4.21Å; H51-H125 AromaticContact ND1-CG 3.85Å; K52-H125 PolarHBondContact N-ND1 3.28Å; K52-H125 PolarHBondContact O-N 2.71Å; H125-V158 PolarHBondContact O-N 3.43Å; H125-L212 HydrophobicContact CB-CD2 3.6Å; H125-L212 WeakPolarHBondContact O-CD2 3.42Å |
| 126 | A | 95.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | K52 T53 I54 V158 V208 L212 | K52-A126 PolarHBondContact O-N 2.84Å; K52-A126 VanDerWaalsContact O-N 3.16Å; T53-A126 CarbonylContact C-O 3.47Å; T53-A126 VanDerWaalsContact CA-O 3.31Å; T53-A126 WeakPolarHBondContact CA-O 3.31Å; T53-A126 HydrophobicContact CG2-CB 4.13Å; I54-A126 PolarHBondContact N-O 3.02Å; A126-V158 CarbonylContact C-O 3.59Å; A126-V158 WeakPolarHBondContact CA-O 3.32Å; A126-V158 HydrophobicContact CB-CB 4.05Å; A126-V208 HydrophobicContact CB-CG1 3.39Å; A126-L212 HydrophobicContact CB-CD1 3.99Å; A126-L212 HydrophobicContact CB-CD2 4.43Å |
| 127 | L | 94.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 118.1 | 176.7 | -72.6 | 157.7 | 0 | 0 | 0 | 109.1 | I54 V56 Y121 A124 I149 A153 V157 V158 I159 M160 | I54-L127 HydrophobicContact CB-CD2 3.89Å; I54-L127 HydrophobicContact CG2-CD2 4.45Å; I54-L127 WeakPolarHBondContact O-CA 3.5Å; V56-L127 HydrophobicContact CG1-CD2 3.92Å; V56-L127 HydrophobicContact CG2-CD2 4.16Å; Y121-L127 HydrophobicContact CD1-CD2 4.05Å; Y121-L127 HydrophobicContact CE1-CD2 4.2Å; A124-L127 HydrophobicContact CB-CG 4.4Å; L127-I149 HydrophobicContact CD1-CB 4.36Å; L127-I149 HydrophobicContact CD1-CD1 4.25Å; L127-I149 HydrophobicContact CD1-CG1 4.05Å; L127-I149 HydrophobicContact CD1-CG2 3.42Å; L127-I149 VanDerWaalsContact CD1-CG2 3.42Å; L127-A153 HydrophobicContact CD1-CB 4.23Å; L127-V157 HydrophobicContact CD1-CG1 4.14Å; L127-V157 HydrophobicContact CD1-CG2 3.67Å; L127-V157 HydrophobicContact CG-CG2 3.98Å; L127-V158 PolarHBondContact N-O 2.86Å; L127-I159 HydrophobicContact CB-CG1 4.48Å; L127-I159 HydrophobicContact CD1-CG1 4.41Å; L127-I159 WeakPolarHBondContact O-CA 3.2Å; L127-M160 PolarHBondContact O-N 2.94Å |
| 128 | L | 96.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 108.9 | 167.8 | -64.8 | -176.4 | 0 | 0 | 0 | 107.9 | T53 I54 L55 V56 L130 M160 L162 F205 V208 | T53-L128 HydrophobicContact CG2-CD1 4.49Å; T53-L128 HydrophobicContact CG2-CG 4.29Å; I54-L128 PolarHBondContact O-N 2.85Å; L55-L128 HydrophobicContact CD2-CB 3.72Å; L55-L128 HydrophobicContact CD2-CD1 3.67Å; L55-L128 HydrophobicContact CD2-CG 4.11Å; V56-L128 PolarHBondContact N-O 3.48Å; L128-L130 HydrophobicContact CB-CD1 4.09Å; L128-L130 WeakPolarHBondContact O-CD1 3.08Å; L128-M160 HydrophobicContact CD2-CB 3.78Å; L128-M160 HydrophobicContact CD2-CG 4.27Å; L128-M160 HydrophobicContact CD2-SD 3.88Å; L128-L162 HydrophobicContact CB-CD1 4.07Å; L128-L162 HydrophobicContact CD1-CD1 4.29Å; L128-L162 HydrophobicContact CD2-CD1 4.28Å; L128-L162 HydrophobicContact CG-CD1 4.45Å; L128-F205 HydrophobicContact CD1-CD1 3.85Å; L128-F205 HydrophobicContact CD1-CE1 3.44Å; L128-F205 VanDerWaalsContact CD1-CE1 3.44Å; L128-F205 HydrophobicContact CD1-CE2 4.22Å; L128-F205 HydrophobicContact CD1-CG 4.4Å; L128-F205 HydrophobicContact CD1-CZ 3.65Å; L128-V208 HydrophobicContact CD2-CG2 3.71Å |
| 129 | L | 96.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 113.4 | -178 | 176.8 | 59 | 0 | 0 | 0 | 110.2 | V56 I142 W145 L146 I149 M160 L161 L162 | V56-L129 HydrophobicContact CB-CD1 4.42Å; V56-L129 HydrophobicContact CG2-CB 3.94Å; V56-L129 HydrophobicContact CG2-CD1 3.77Å; V56-L129 HydrophobicContact CG2-CG 4.44Å; V56-L129 WeakPolarHBondContact O-CA 3.41Å; L129-I142 HydrophobicContact CD1-CD1 3.84Å; L129-I142 HydrophobicContact CD2-CD1 4.14Å; L129-I142 HydrophobicContact CD2-CG2 3.93Å; L129-I142 HydrophobicContact CG-CD1 3.79Å; L129-W145 HydrophobicContact CD1-CB 3.69Å; L129-W145 HydrophobicContact CD1-CG 3.9Å; L129-W145 HydrophobicContact CD2-CB 4.07Å; L129-L146 HydrophobicContact CD2-CD1 4.46Å; L129-L146 HydrophobicContact CD2-CD2 3.71Å; L129-L146 HydrophobicContact CD2-CG 3.69Å; L129-I149 HydrophobicContact CD2-CD1 4.29Å; L129-M160 PolarHBondContact N-O 2.85Å; L129-L161 HydrophobicContact CD2-CD1 4.29Å; L129-L161 HydrophobicContact CG-CD1 4.14Å; L129-L161 CarbonylContact O-C 3.53Å; L129-L161 WeakPolarHBondContact O-CA 3.45Å; L129-L162 PolarHBondContact O-N 3.07Å |
| 130 | L | 97.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.2 | -174.1 | -70.7 | 73.1 | 0 | 0 | 0 | 111.8 | V56 V61 K63 L66 L128 L162 N164 | V56-L130 PolarHBondContact O-N 3.17Å; V61-L130 HydrophobicContact CB-CB 4.44Å; V61-L130 HydrophobicContact CG2-CB 3.72Å; K63-L130 HydrophobicContact CB-CD2 4.42Å; K63-L130 HydrophobicContact CG-CB 4.44Å; K63-L130 HydrophobicContact CG-CD1 4.31Å; K63-L130 HydrophobicContact CG-CD2 3.98Å; K63-L130 HydrophobicContact CG-CG 4.48Å; L66-L130 HydrophobicContact CB-CD2 4.27Å; L66-L130 HydrophobicContact CD2-CD1 4.41Å; L66-L130 HydrophobicContact CD2-CD2 3.92Å; L66-L130 HydrophobicContact CD2-CG 4.45Å; L128-L130 HydrophobicContact CB-CD1 4.09Å; L128-L130 WeakPolarHBondContact O-CD1 3.08Å; L130-L162 WeakPolarHBondContact CA-O 3.32Å; L130-L162 HydrophobicContact CD1-CD1 3.98Å; L130-L162 HydrophobicContact CG-CB 4.03Å; L130-L162 HydrophobicContact CG-CD1 4.12Å; L130-N164 HydrophobicContact CD2-CB 4.47Å |
| 131 | Y | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 167.7 | 155.3 | 70.6 | -83.9 | 0 | 0 | 0 | 110.5 | I133 F139 I142 L161 L162 N164 I174 F190 | Y131-I133 HydrophobicContact CE2-CG2 3.97Å; Y131-F139 HydrophobicContact CD1-CD2 4.06Å; Y131-F139 HydrophobicContact CD2-CB 3.92Å; Y131-F139 AromaticContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CG 4.33Å; Y131-F139 AromaticContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CE2 4.26Å; Y131-F139 HydrophobicContact CE2-CB 4.41Å; Y131-F139 AromaticContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CE2 4.44Å; Y131-F139 HydrophobicContact CE2-CG 4.41Å; Y131-F139 HydrophobicContact CG-CB 4.32Å; Y131-F139 HydrophobicContact CG-CD2 4.01Å; Y131-F139 AromaticContact CZ-CD2 3.76Å; Y131-I142 HydrophobicContact CD1-CD1 4.45Å; Y131-I142 HydrophobicContact CD1-CG1 4.18Å; Y131-I142 HydrophobicContact CG-CG1 4.38Å; Y131-L161 HydrophobicContact CD1-CD1 4.01Å; Y131-L161 HydrophobicContact CD1-CG 4.48Å; Y131-L161 HydrophobicContact CE1-CD1 4.26Å; Y131-L161 HydrophobicContact CE1-CD2 4.45Å; Y131-L161 HydrophobicContact CE1-CG 4.25Å; Y131-L162 WeakPolarHBondContact CD1-O 3.09Å; Y131-L162 PolarHBondContact N-O 3.1Å; Y131-N164 PolarHBondContact O-N 3.07Å; Y131-I174 HydrophobicContact CE2-CB 4.26Å; Y131-I174 HydrophobicContact CE2-CG2 4.12Å; Y131-F190 AromaticContact CE1-CE2 3.91Å; Y131-F190 HydrophobicContact CE1-CE2 3.91Å; Y131-F190 WeakPolarHBondContact OH-CE2 3.38Å |
| 132 | D | 97.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.4 | 174.9 | 170.8 | -1 | 0 | 0 | 0 | 109.8 | V61 T134 N135 S138 K165 I174 | V61-D132 HydrophobicContact CB-CB 4.32Å; V61-D132 HydrophobicContact CG1-CB 4.28Å; D132-T134 PolarHBondContact O-N 3.32Å; D132-T134 WeakPolarHBondContact OD1-CB 3.34Å; D132-T134 PolarHBondContact OD1-N 2.98Å; D132-T134 PolarHBondContact OD1-OG1 3.31Å; D132-T134 PolarHBondContact OD2-OG1 3Å; D132-T134 VanDerWaalsContact OD2-OG1 3.12Å; D132-N135 HydrophobicContact CB-CB 4.03Å; D132-N135 PolarHBondContact O-N 2.92Å; D132-S138 PolarHBondContact N-OG 2.99Å; D132-S138 PolarHBondContact O-OG 2.87Å; D132-K165 HydrophobicContact CB-CD 4.47Å; D132-K165 WeakPolarHBondContact OD1-CD 3.39Å; D132-K165 WeakPolarHBondContact OD2-CD 3.47Å; D132-K165 WeakPolarHBondContact OD2-CE 3.28Å; D132-K165 IonicContact OD2-NZ 3.35Å; D132-K165 PolarHBondContact OD2-NZ 2.96Å; D132-I174 WeakPolarHBondContact O-CD1 3.41Å |
| 133 | I | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -13.8 | -177.4 | 66.4 | 152 | 0 | 0 | 0 | 114.1 | Y131 N164 K165 R172 A173 I174 | Y131-I133 HydrophobicContact CE2-CG2 3.97Å; I133-N164 WeakPolarHBondContact CG1-O 3.36Å; I133-N164 WeakPolarHBondContact CG2-O 3.43Å; I133-N164 PolarHBondContact N-O 3.27Å; I133-K165 WeakPolarHBondContact CD1-O 3.28Å; I133-K165 HydrophobicContact CG1-CB 4.5Å; I133-K165 WeakPolarHBondContact CG1-O 3.28Å; I133-R172 HydrophobicContact CD1-CB 4.37Å; I133-R172 HydrophobicContact CD1-CG 4.31Å; I133-R172 VanDerWaalsContact CD1-CZ 3.48Å; I133-A173 PolarHBondContact O-N 3.37Å; I133-I174 VanDerWaalsContact C-CD1 3.47Å; I133-I174 WeakPolarHBondContact O-CD1 3.24Å; I133-I174 PolarHBondContact O-N 3.35Å |
| 134 | T | 98.3 | Very high | 95.9 | Very high | 34 Ų | 34 | 29.9 Ų | 29.9 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -9.7 | 177.1 | 70.8 | 0 | 0 | 0 | 0 | 112.6 | D132 M168 E171 A173 | D132-T134 PolarHBondContact O-N 3.32Å; D132-T134 WeakPolarHBondContact OD1-CB 3.34Å; D132-T134 PolarHBondContact OD1-N 2.98Å; D132-T134 PolarHBondContact OD1-OG1 3.31Å; D132-T134 PolarHBondContact OD2-OG1 3Å; D132-T134 VanDerWaalsContact OD2-OG1 3.12Å; T134-M168 HydrophobicContact CG2-CB 3.61Å; T134-M168 HydrophobicContact CG2-CE 4.2Å; T134-M168 HydrophobicContact CG2-CG 4.45Å; T134-M168 HydrophobicContact CG2-SD 4.12Å; T134-E171 WeakPolarHBondContact CA-O 3.48Å; T134-E171 WeakPolarHBondContact CB-O 3.48Å; T134-E171 HydrophobicContact CG2-CB 3.93Å; T134-A173 WeakPolarHBondContact O-CB 3.44Å |
| 135 | N | 97.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 35% | 0.353 | 16% | 0.157 | S | C | . | . | trans | -122 | 99.4 | -174.3 | -176.5 | -20.4 | 0 | 0 | 0 | 111.7 | D132 S137 S138 F139 | D132-N135 HydrophobicContact CB-CB 4.03Å; D132-N135 PolarHBondContact O-N 2.92Å; N135-S137 VanDerWaalsContact C-N 3.3Å; N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 WeakPolarHBondContact OD1-CB 3.31Å; N135-S137 PolarHBondContact OD1-N 3.23Å; N135-S138 PolarHBondContact O-N 3.44Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 2.94Å; N135-S138 PolarHBondContact OD1-N 2.83Å; N135-F139 PolarHBondContact O-N 2.96Å | ||
| 136 | K | 97.3 | Very high | 95.7 | Very high | 119 Ų | 119 | 26.7 Ų | 26.7 | 52% | 0.517 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -56.7 | -38 | 179.9 | -171.3 | 178.9 | -179.2 | -65 | 0 | 113.6 | S138 F139 D140 | K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 2.68Å; K136-F139 WeakPolarHBondContact O-CB 3.33Å; K136-F139 PolarHBondContact O-N 2.77Å; K136-F139 VanDerWaalsContact O-N 3.15Å; K136-D140 IonicContact NZ-OD1 3.76Å; K136-D140 PolarHBondContact NZ-OD1 3.05Å; K136-D140 IonicContact NZ-OD2 3.28Å; K136-D140 PolarHBondContact NZ-OD2 2.78Å; K136-D140 PolarHBondContact O-N 2.78Å |
| 137 | S | 96.3 | Very high | 95.4 | Very high | 66 Ų | 66 | 30.4 Ų | 30.4 | 46% | 0.462 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 178.7 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | N135 F139 D140 N141 | N135-S137 VanDerWaalsContact C-N 3.3Å; N135-S137 PolarHBondContact O-N 3.02Å; N135-S137 WeakPolarHBondContact OD1-CB 3.31Å; N135-S137 PolarHBondContact OD1-N 3.23Å; S137-F139 PolarHBondContact O-N 2.89Å; S137-D140 PolarHBondContact O-N 3.07Å; S137-N141 WeakPolarHBondContact O-CB 3.31Å; S137-N141 VanDerWaalsContact O-CG 3.26Å; S137-N141 PolarHBondContact O-N 3.01Å; S137-N141 PolarHBondContact O-ND2 3.04Å |
| 138 | S | 96.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -32.1 | 178.6 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | D58 D132 N135 K136 | D58-S138 WeakPolarHBondContact OD2-CA 3.47Å; D132-S138 PolarHBondContact N-OG 2.99Å; D132-S138 PolarHBondContact O-OG 2.87Å; N135-S138 PolarHBondContact O-N 3.44Å; N135-S138 VanDerWaalsContact O-N 3.11Å; N135-S138 PolarHBondContact O-OG 2.94Å; N135-S138 PolarHBondContact OD1-N 2.83Å; K136-S138 VanDerWaalsContact C-N 3.29Å; K136-S138 PolarHBondContact O-N 2.68Å |
| 139 | F | 98.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 32 Ų | 32 | 4% | 0.044 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.3 | -44.5 | 174.8 | 179.8 | -107.1 | 0 | 0 | 0 | 112.3 | Y131 N135 K136 S137 N141 I142 I174 E178 L182 | Y131-F139 HydrophobicContact CD1-CD2 4.06Å; Y131-F139 HydrophobicContact CD2-CB 3.92Å; Y131-F139 AromaticContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CD2 3.83Å; Y131-F139 HydrophobicContact CD2-CG 4.33Å; Y131-F139 AromaticContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CD2 3.93Å; Y131-F139 HydrophobicContact CE1-CE2 4.26Å; Y131-F139 HydrophobicContact CE2-CB 4.41Å; Y131-F139 AromaticContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CD2 3.7Å; Y131-F139 HydrophobicContact CE2-CE2 4.44Å; Y131-F139 HydrophobicContact CE2-CG 4.41Å; Y131-F139 HydrophobicContact CG-CB 4.32Å; Y131-F139 HydrophobicContact CG-CD2 4.01Å; Y131-F139 AromaticContact CZ-CD2 3.76Å; N135-F139 PolarHBondContact O-N 2.96Å; K136-F139 WeakPolarHBondContact O-CB 3.33Å; K136-F139 PolarHBondContact O-N 2.77Å; K136-F139 VanDerWaalsContact O-N 3.15Å; S137-F139 PolarHBondContact O-N 2.89Å; F139-N141 PolarHBondContact O-N 3.16Å; F139-I142 VanDerWaalsContact O-CB 3.29Å; F139-I142 WeakPolarHBondContact O-CB 3.47Å; F139-I142 WeakPolarHBondContact O-CG1 3.41Å; F139-I142 PolarHBondContact O-N 2.89Å; F139-I174 HydrophobicContact CB-CD1 4.14Å; F139-I174 HydrophobicContact CB-CG1 3.78Å; F139-I174 HydrophobicContact CD1-CG1 4.23Å; F139-I174 HydrophobicContact CD1-CG2 4.11Å; F139-I174 HydrophobicContact CD2-CG2 4.02Å; F139-I174 HydrophobicContact CE1-CG2 4.22Å; F139-I174 HydrophobicContact CE2-CG2 4.14Å; F139-I174 HydrophobicContact CG-CG1 3.98Å; F139-I174 HydrophobicContact CG-CG2 4Å; F139-I174 HydrophobicContact CZ-CG2 4.23Å; F139-E178 HydrophobicContact CE1-CB 4.38Å; F139-E178 HydrophobicContact CZ-CB 4.1Å; F139-L182 HydrophobicContact CD2-CD2 4.26Å; F139-L182 HydrophobicContact CE2-CB 4.3Å; F139-L182 HydrophobicContact CE2-CD2 3.55Å; F139-L182 HydrophobicContact CZ-CB 4.12Å; F139-L182 HydrophobicContact CZ-CD2 3.78Å |
| 140 | D | 96 | Very high | 93.9 | Very high | 69 Ų | 69 | 37.5 Ų | 37.5 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59.1 | -34.9 | 177.9 | -69.3 | -25.4 | 0 | 0 | 0 | 111.2 | K136 S137 I142 | K136-D140 IonicContact NZ-OD1 3.76Å; K136-D140 PolarHBondContact NZ-OD1 3.05Å; K136-D140 IonicContact NZ-OD2 3.28Å; K136-D140 PolarHBondContact NZ-OD2 2.78Å; K136-D140 PolarHBondContact O-N 2.78Å; S137-D140 PolarHBondContact O-N 3.07Å; D140-I142 VanDerWaalsContact C-N 3.29Å; D140-I142 PolarHBondContact O-N 3.13Å |
| 141 | N | 94.6 | Very high | 93.3 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -13.9 | 178.4 | -73.4 | -22.9 | 0 | 0 | 0 | 114.5 | D58 S137 F139 R143 A144 W145 | D58-N141 PolarHBondContact OD2-ND2 2.99Å; S137-N141 WeakPolarHBondContact O-CB 3.31Å; S137-N141 VanDerWaalsContact O-CG 3.26Å; S137-N141 PolarHBondContact O-N 3.01Å; S137-N141 PolarHBondContact O-ND2 3.04Å; F139-N141 PolarHBondContact O-N 3.16Å; N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.47Å; N141-A144 WeakPolarHBondContact O-CB 3.42Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.11Å; N141-W145 VanDerWaalsContact O-CD1 3.22Å; N141-W145 PolarHBondContact O-N 3Å; N141-W145 VanDerWaalsContact O-N 3.1Å |
| 142 | I | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -36.7 | -179.7 | -68.5 | -53.5 | 0 | 0 | 0 | 112.1 | L129 Y131 F139 D140 A144 W145 L146 L161 L182 | L129-I142 HydrophobicContact CD1-CD1 3.84Å; L129-I142 HydrophobicContact CD2-CD1 4.14Å; L129-I142 HydrophobicContact CD2-CG2 3.93Å; L129-I142 HydrophobicContact CG-CD1 3.79Å; Y131-I142 HydrophobicContact CD1-CD1 4.45Å; Y131-I142 HydrophobicContact CD1-CG1 4.18Å; Y131-I142 HydrophobicContact CG-CG1 4.38Å; F139-I142 VanDerWaalsContact O-CB 3.29Å; F139-I142 WeakPolarHBondContact O-CB 3.47Å; F139-I142 WeakPolarHBondContact O-CG1 3.41Å; F139-I142 PolarHBondContact O-N 2.89Å; D140-I142 VanDerWaalsContact C-N 3.29Å; D140-I142 PolarHBondContact O-N 3.13Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.15Å; I142-W145 PolarHBondContact O-N 3.45Å; I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CG 3.1Å; I142-L146 PolarHBondContact O-N 2.84Å; I142-L161 HydrophobicContact CD1-CD1 4.12Å; I142-L161 HydrophobicContact CG1-CD1 4.19Å; I142-L161 HydrophobicContact CG2-CD1 3.72Å; I142-L182 HydrophobicContact CB-CD2 3.89Å; I142-L182 HydrophobicContact CG2-CD2 3.52Å; I142-L182 HydrophobicContact CG2-CG 4.46Å |
| 143 | R | 93.6 | Very high | 91.8 | Very high | 89 Ų | 89 | 48.7 Ų | 48.7 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 177.6 | -68.6 | -168 | 174.3 | 83.3 | 3.1 | 112.4 | N141 L146 T147 L182 E185 Y186 | N141-R143 VanDerWaalsContact C-N 3.26Å; N141-R143 PolarHBondContact O-N 3.47Å; R143-L146 PolarHBondContact O-N 3.43Å; R143-T147 WeakPolarHBondContact O-CB 3.29Å; R143-T147 PolarHBondContact O-N 3.27Å; R143-T147 PolarHBondContact O-OG1 3.11Å; R143-L182 HydrophobicContact CG-CD1 3.98Å; R143-E185 IonicContact NE-OE1 3.02Å; R143-E185 IonicContact NH2-OE2 3.99Å; R143-E185 PolarHBondContact NH2-OE2 3.19Å; R143-Y186 HydrophobicContact CG-CE2 4.12Å; R143-Y186 WeakPolarHBondContact CG-OH 3.45Å |
| 144 | A | 90.6 | Very high | 90.9 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -44.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N141 I142 L146 T147 E148 | N141-A144 WeakPolarHBondContact O-CB 3.42Å; N141-A144 PolarHBondContact O-N 3.02Å; N141-A144 VanDerWaalsContact O-N 3.11Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.15Å; A144-L146 PolarHBondContact O-N 3.31Å; A144-T147 PolarHBondContact O-N 2.76Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.76Å |
| 145 | W | 90.5 | Very high | 90 | Very high | 6 Ų | 6 | 58.2 Ų | 58.2 | 2% | 0.023 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.6 | -45.8 | 174.8 | -75.4 | 113.4 | 0 | 0 | 0 | 112.6 | D58 R114 Y121 L129 N141 I142 T147 E148 I149 | D58-W145 PolarHBondContact OD1-NE1 2.9Å; R114-W145 HydrophobicContact CG-CH2 3.99Å; R114-W145 HydrophobicContact CG-CZ3 4.29Å; Y121-W145 WeakPolarHBondContact OH-CZ3 3.2Å; L129-W145 HydrophobicContact CD1-CB 3.69Å; L129-W145 HydrophobicContact CD1-CG 3.9Å; L129-W145 HydrophobicContact CD2-CB 4.07Å; N141-W145 VanDerWaalsContact O-CD1 3.22Å; N141-W145 PolarHBondContact O-N 3Å; N141-W145 VanDerWaalsContact O-N 3.1Å; I142-W145 PolarHBondContact O-N 3.45Å; W145-T147 VanDerWaalsContact C-N 3.33Å; W145-T147 PolarHBondContact O-N 3Å; W145-E148 PolarHBondContact O-N 3.49Å; W145-I149 WeakPolarHBondContact O-CB 3.32Å; W145-I149 WeakPolarHBondContact O-CD1 3.44Å; W145-I149 WeakPolarHBondContact O-CG1 3.27Å; W145-I149 PolarHBondContact O-N 2.96Å |
| 146 | L | 90.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.9 | -73.4 | 167.2 | 0 | 0 | 0 | 111.9 | L129 I142 R143 A144 I149 H150 I159 Y186 | L129-L146 HydrophobicContact CD2-CD1 4.46Å; L129-L146 HydrophobicContact CD2-CD2 3.71Å; L129-L146 HydrophobicContact CD2-CG 3.69Å; I142-L146 HydrophobicContact CG2-CD1 3.7Å; I142-L146 HydrophobicContact CG2-CG 4.2Å; I142-L146 WeakPolarHBondContact O-CG 3.1Å; I142-L146 PolarHBondContact O-N 2.84Å; R143-L146 PolarHBondContact O-N 3.43Å; A144-L146 PolarHBondContact O-N 3.31Å; L146-I149 PolarHBondContact O-N 3.06Å; L146-H150 WeakPolarHBondContact O-CB 3.36Å; L146-H150 PolarHBondContact O-CD2 3.25Å; L146-H150 PolarHBondContact O-N 3.25Å; L146-I159 HydrophobicContact CD2-CG2 4.11Å; L146-Y186 HydrophobicContact CB-CD1 3.95Å; L146-Y186 HydrophobicContact CB-CE1 3.9Å; L146-Y186 HydrophobicContact CD1-CD1 3.75Å; L146-Y186 HydrophobicContact CD1-CD2 3.65Å; L146-Y186 HydrophobicContact CD1-CE1 4.09Å; L146-Y186 HydrophobicContact CD1-CE2 4.01Å; L146-Y186 HydrophobicContact CD1-CG 3.51Å; L146-Y186 HydrophobicContact CG-CD1 4.36Å |
| 147 | T | 88.3 | Confident | 89.1 | Confident | 78 Ų | 78 | 55.1 Ų | 55.1 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 175.6 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | R143 A144 W145 I149 H150 E151 | R143-T147 WeakPolarHBondContact O-CB 3.29Å; R143-T147 PolarHBondContact O-N 3.27Å; R143-T147 PolarHBondContact O-OG1 3.11Å; A144-T147 PolarHBondContact O-N 2.76Å; W145-T147 VanDerWaalsContact C-N 3.33Å; W145-T147 PolarHBondContact O-N 3Å; T147-I149 PolarHBondContact O-N 3.26Å; T147-H150 PolarHBondContact O-N 3.47Å; T147-E151 PolarHBondContact O-N 3.42Å |
| 148 | E | 85.1 | Confident | 89 | Confident | 32 Ų | 32 | 52.2 Ų | 52.2 | 15% | 0.15 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.7 | -72.2 | 175.7 | -171.1 | 0 | 0 | 111.9 | R114 A144 W145 H150 E151 Y152 | R114-E148 WeakPolarHBondContact CD-OE1 3.11Å; R114-E148 IonicContact CZ-OE1 2.7Å; R114-E148 IonicContact CZ-OE2 3.95Å; R114-E148 IonicContact NE-OE1 3.84Å; R114-E148 IonicContact NE-OE2 3.36Å; R114-E148 IonicContact NH1-OE1 3.62Å; R114-E148 PolarHBondContact NH1-OE1 3.07Å; R114-E148 IonicContact NH1-OE2 3.69Å; A144-E148 WeakPolarHBondContact O-CG 3.46Å; A144-E148 PolarHBondContact O-N 2.76Å; W145-E148 PolarHBondContact O-N 3.49Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.88Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.15Å; E148-Y152 VanDerWaalsContact O-CD2 3.27Å; E148-Y152 WeakPolarHBondContact O-CD2 3.38Å; E148-Y152 PolarHBondContact O-N 3.32Å |
| 149 | I | 86.4 | Confident | 88.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 177.2 | -71.1 | 163.4 | 0 | 0 | 0 | 110.6 | V56 L127 L129 W145 L146 T147 E151 Y152 A153 I159 | V56-I149 HydrophobicContact CG2-CD1 4.19Å; L127-I149 HydrophobicContact CD1-CB 4.36Å; L127-I149 HydrophobicContact CD1-CD1 4.25Å; L127-I149 HydrophobicContact CD1-CG1 4.05Å; L127-I149 HydrophobicContact CD1-CG2 3.42Å; L127-I149 VanDerWaalsContact CD1-CG2 3.42Å; L129-I149 HydrophobicContact CD2-CD1 4.29Å; W145-I149 WeakPolarHBondContact O-CB 3.32Å; W145-I149 WeakPolarHBondContact O-CD1 3.44Å; W145-I149 WeakPolarHBondContact O-CG1 3.27Å; W145-I149 PolarHBondContact O-N 2.96Å; L146-I149 PolarHBondContact O-N 3.06Å; T147-I149 PolarHBondContact O-N 3.26Å; I149-E151 PolarHBondContact O-N 3.38Å; I149-Y152 PolarHBondContact O-N 2.9Å; I149-A153 HydrophobicContact CG2-CB 4.04Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.01Å; I149-I159 HydrophobicContact CG2-CD1 3.47Å; I149-I159 VanDerWaalsContact CG2-CD1 3.47Å; I149-I159 HydrophobicContact CG2-CG1 4.13Å |
| 150 | H | 84.6 | Confident | 88.9 | Confident | 116 Ų | 116 | 52.6 Ų | 52.6 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.9 | -25.7 | 178 | -74 | -52.7 | 0 | 0 | 0 | 113.4 | L146 T147 E148 | L146-H150 WeakPolarHBondContact O-CB 3.36Å; L146-H150 PolarHBondContact O-CD2 3.25Å; L146-H150 PolarHBondContact O-N 3.25Å; T147-H150 PolarHBondContact O-N 3.47Å; E148-H150 VanDerWaalsContact C-N 3.33Å; E148-H150 PolarHBondContact O-N 2.88Å |
| 151 | E | 85.2 | Confident | 89 | Confident | 125 Ų | 125 | 49.3 Ų | 49.3 | 58% | 0.584 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -80.4 | -37.3 | 177.9 | -170.1 | 179.5 | 160.4 | 0 | 0 | 112.7 | T147 E148 I149 | T147-E151 PolarHBondContact O-N 3.42Å; E148-E151 PolarHBondContact O-N 3.5Å; E148-E151 VanDerWaalsContact O-N 3.15Å; I149-E151 PolarHBondContact O-N 3.38Å |
| 152 | Y | 82.8 | Confident | 89.2 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 38% | 0.38 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -116.2 | -17 | -167.3 | -65.3 | -72.8 | 0 | 0 | 0 | 115.8 | H118 E148 I149 | H118-Y152 HydrophobicContact CB-CG 4.44Å; H118-Y152 AromaticContact CE1-CD2 3.57Å; H118-Y152 AromaticContact CE1-CE2 3.24Å; H118-Y152 WeakPolarHBondContact CE1-CE2 3.38Å; H118-Y152 AromaticContact CE1-CZ 3.62Å; H118-Y152 AromaticContact ND1-CD1 3.95Å; H118-Y152 AromaticContact ND1-CD2 3.71Å; H118-Y152 AromaticContact ND1-CE1 3.78Å; H118-Y152 AromaticContact ND1-CE2 3.6Å; H118-Y152 AromaticContact ND1-CG 3.93Å; H118-Y152 AromaticContact ND1-CZ 3.64Å; H118-Y152 AromaticContact NE2-CD2 3.8Å; H118-Y152 AromaticContact NE2-CE2 3.84Å; E148-Y152 VanDerWaalsContact O-CD2 3.27Å; E148-Y152 WeakPolarHBondContact O-CD2 3.38Å; E148-Y152 PolarHBondContact O-N 3.32Å; I149-Y152 PolarHBondContact O-N 2.9Å |
| 153 | A | 81.9 | Confident | 89.4 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.7 | 168.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 I149 V157 | L127-A153 HydrophobicContact CD1-CB 4.23Å; I149-A153 HydrophobicContact CG2-CB 4.04Å; I149-A153 WeakPolarHBondContact O-CB 3.48Å; I149-A153 PolarHBondContact O-N 3.01Å; A153-V157 HydrophobicContact CB-CB 4.42Å; A153-V157 HydrophobicContact CB-CG1 3.83Å |
| 154 | Q | 79.6 | Confident | 89.6 | Confident | 76 Ų | 76 | 42.6 Ų | 42.6 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | trans | -67.4 | 147.4 | 172.1 | -58.8 | -171.8 | -20.3 | 0 | 0 | 110.8 | R122 D156 V157 | R122-Q154 WeakPolarHBondContact O-CG 3.49Å; R122-Q154 PolarHBondContact O-NE2 3.15Å; Q154-D156 WeakPolarHBondContact CB-OD1 3.48Å; Q154-D156 PolarHBondContact O-N 3.34Å; Q154-D156 VanDerWaalsContact O-N 3.11Å; Q154-V157 WeakPolarHBondContact O-CB 3.43Å; Q154-V157 VanDerWaalsContact O-CG1 3.27Å; Q154-V157 WeakPolarHBondContact O-CG1 3.29Å; Q154-V157 PolarHBondContact O-N 2.9Å; Q154-V157 VanDerWaalsContact O-N 3.15Å | ||
| 155 | T | 78.7 | Confident | 90 | Very high | 159 Ų | 159 | 43.3 Ų | 43.3 | 98% | 0.975 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.1 | -176.8 | -43.7 | 0 | 0 | 0 | 0 | 113.3 | ||
| 156 | D | 85.4 | Confident | 90.3 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 55% | 0.545 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 14.8 | -176.5 | 67.2 | -35.7 | 0 | 0 | 0 | 113.7 | Q154 V158 R215 | Q154-D156 WeakPolarHBondContact CB-OD1 3.48Å; Q154-D156 PolarHBondContact O-N 3.34Å; Q154-D156 VanDerWaalsContact O-N 3.11Å; D156-V158 PolarHBondContact O-N 3.33Å; D156-R215 PolarHBondContact O-NH1 3.12Å |
| 157 | V | 91.6 | Very high | 90.7 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 11% | 0.109 | 24% | 0.244 | C | C | . | . | trans | -62.8 | 136 | 174.2 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | A124 L127 A153 Q154 I159 | A124-V157 HydrophobicContact CB-CG2 4.3Å; A124-V157 WeakPolarHBondContact O-CG2 3.4Å; L127-V157 HydrophobicContact CD1-CG1 4.14Å; L127-V157 HydrophobicContact CD1-CG2 3.67Å; L127-V157 HydrophobicContact CG-CG2 3.98Å; A153-V157 HydrophobicContact CB-CB 4.42Å; A153-V157 HydrophobicContact CB-CG1 3.83Å; Q154-V157 WeakPolarHBondContact O-CB 3.43Å; Q154-V157 VanDerWaalsContact O-CG1 3.27Å; Q154-V157 WeakPolarHBondContact O-CG1 3.29Å; Q154-V157 PolarHBondContact O-N 2.9Å; Q154-V157 VanDerWaalsContact O-N 3.15Å; V157-I159 HydrophobicContact CG1-CD1 4.09Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å | ||
| 158 | V | 94.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.03 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.6 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | H125 A126 L127 D156 V208 E211 L212 R215 I227 | H125-V158 PolarHBondContact O-N 3.43Å; A126-V158 CarbonylContact C-O 3.59Å; A126-V158 WeakPolarHBondContact CA-O 3.32Å; A126-V158 HydrophobicContact CB-CB 4.05Å; L127-V158 PolarHBondContact N-O 2.86Å; D156-V158 PolarHBondContact O-N 3.33Å; V158-V208 HydrophobicContact CG1-CG2 4.45Å; V158-E211 HydrophobicContact CB-CG 4.47Å; V158-E211 HydrophobicContact CG1-CG 3.99Å; V158-E211 HydrophobicContact CG2-CB 4.48Å; V158-E211 HydrophobicContact CG2-CG 3.56Å; V158-L212 HydrophobicContact CG2-CD2 3.85Å; V158-L212 HydrophobicContact CG2-CG 4.37Å; V158-R215 VanDerWaalsContact CG2-CZ 3.49Å; V158-I227 HydrophobicContact CG1-CD1 4.46Å |
| 159 | I | 95 | Very high | 91.5 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 134 | 177.7 | -52.3 | 168.5 | 0 | 0 | 0 | 108.6 | L127 L146 I149 V157 V188 P189 | L127-I159 HydrophobicContact CB-CG1 4.48Å; L127-I159 HydrophobicContact CD1-CG1 4.41Å; L127-I159 WeakPolarHBondContact O-CA 3.2Å; L146-I159 HydrophobicContact CD2-CG2 4.11Å; I149-I159 HydrophobicContact CG2-CD1 3.47Å; I149-I159 VanDerWaalsContact CG2-CD1 3.47Å; I149-I159 HydrophobicContact CG2-CG1 4.13Å; V157-I159 HydrophobicContact CG1-CD1 4.09Å; V157-I159 HydrophobicContact CG1-CG1 3.88Å; I159-V188 HydrophobicContact CB-CG1 3.93Å; I159-V188 HydrophobicContact CG2-CG1 4.01Å; I159-P189 WeakPolarHBondContact O-CD 3.45Å; I159-P189 WeakPolarHBondContact O-CG 3.24Å |
| 160 | M | 97.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.8 | 172.6 | 179.1 | -173.3 | -76 | 0 | 0 | 110.5 | L127 L128 L129 L162 P189 M191 A204 A207 V208 I227 I231 | L127-M160 PolarHBondContact O-N 2.94Å; L128-M160 HydrophobicContact CD2-CB 3.78Å; L128-M160 HydrophobicContact CD2-CG 4.27Å; L128-M160 HydrophobicContact CD2-SD 3.88Å; L129-M160 PolarHBondContact N-O 2.85Å; M160-L162 HydrophobicContact CG-CD2 3.89Å; M160-L162 HydrophobicContact SD-CD2 3.72Å; M160-P189 HydrophobicContact CB-CG 4.06Å; M160-P189 HydrophobicContact CE-CG 4.41Å; M160-P189 HydrophobicContact CG-CB 4.43Å; M160-P189 HydrophobicContact CG-CG 4.15Å; M160-M191 HydrophobicContact CE-SD 4.33Å; M160-M191 HydrophobicContact SD-CG 4.4Å; M160-M191 HydrophobicContact SD-SD 3.6Å; M160-M191 VanDerWaalsContact SD-SD 3.6Å; M160-A204 HydrophobicContact SD-CB 4.09Å; M160-A207 HydrophobicContact CE-CB 3.83Å; M160-V208 HydrophobicContact CB-CG2 4.46Å; M160-V208 HydrophobicContact CE-CG2 3.77Å; M160-V208 HydrophobicContact SD-CG2 4.25Å; M160-I227 HydrophobicContact CE-CD1 3.55Å; M160-I227 HydrophobicContact CE-CG1 4.2Å; M160-I231 HydrophobicContact CE-CD1 3.88Å |
| 161 | L | 98.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.4 | 176.9 | -177.3 | 64.5 | 0 | 0 | 0 | 110.6 | L129 Y131 I142 L182 A183 V188 P189 F190 M191 | L129-L161 HydrophobicContact CD2-CD1 4.29Å; L129-L161 HydrophobicContact CG-CD1 4.14Å; L129-L161 CarbonylContact O-C 3.53Å; L129-L161 WeakPolarHBondContact O-CA 3.45Å; Y131-L161 HydrophobicContact CD1-CD1 4.01Å; Y131-L161 HydrophobicContact CD1-CG 4.48Å; Y131-L161 HydrophobicContact CE1-CD1 4.26Å; Y131-L161 HydrophobicContact CE1-CD2 4.45Å; Y131-L161 HydrophobicContact CE1-CG 4.25Å; I142-L161 HydrophobicContact CD1-CD1 4.12Å; I142-L161 HydrophobicContact CG1-CD1 4.19Å; I142-L161 HydrophobicContact CG2-CD1 3.72Å; L161-L182 HydrophobicContact CD2-CD2 4.28Å; L161-L182 HydrophobicContact CD2-CG 4.49Å; L161-A183 HydrophobicContact CD2-CB 4.19Å; L161-V188 HydrophobicContact CB-CG2 4.07Å; L161-P189 PolarHBondContact N-O 3.38Å; L161-F190 HydrophobicContact CB-CD2 4.15Å; L161-F190 HydrophobicContact CD2-CD2 3.93Å; L161-F190 HydrophobicContact CG-CD2 3.85Å; L161-F190 HydrophobicContact CG-CE2 4.47Å; L161-F190 WeakPolarHBondContact O-CA 3.34Å; L161-F190 WeakPolarHBondContact O-CD2 3.07Å; L161-M191 PolarHBondContact O-N 3.39Å |
| 162 | L | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.8 | -178.2 | -58.8 | -175 | 0 | 0 | 0 | 111.1 | L66 L128 L129 L130 Y131 M160 M191 T193 A204 | L66-L162 HydrophobicContact CD2-CD1 3.71Å; L128-L162 HydrophobicContact CB-CD1 4.07Å; L128-L162 HydrophobicContact CD1-CD1 4.29Å; L128-L162 HydrophobicContact CD2-CD1 4.28Å; L128-L162 HydrophobicContact CG-CD1 4.45Å; L129-L162 PolarHBondContact O-N 3.07Å; L130-L162 WeakPolarHBondContact CA-O 3.32Å; L130-L162 HydrophobicContact CD1-CD1 3.98Å; L130-L162 HydrophobicContact CG-CB 4.03Å; L130-L162 HydrophobicContact CG-CD1 4.12Å; Y131-L162 WeakPolarHBondContact CD1-O 3.09Å; Y131-L162 PolarHBondContact N-O 3.1Å; M160-L162 HydrophobicContact CG-CD2 3.89Å; M160-L162 HydrophobicContact SD-CD2 3.72Å; L162-M191 WeakPolarHBondContact CA-O 3.37Å; L162-M191 HydrophobicContact CD2-CG 3.24Å; L162-M191 HydrophobicContact CD2-SD 3.84Å; L162-T193 HydrophobicContact CD2-CG2 4.06Å; L162-A204 HydrophobicContact CD1-CB 4.46Å; L162-A204 HydrophobicContact CD2-CB 4.15Å |
| 163 | G | 98.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 96.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | M191 E192 T193 | G163-M191 PolarHBondContact N-O 3.11Å; G163-E192 CarbonylContact O-C 3.59Å; G163-E192 WeakPolarHBondContact O-CA 3.42Å; G163-T193 PolarHBondContact O-N 3.03Å |
| 164 | N | 98.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 166.7 | -174.8 | -167.2 | 26.7 | 0 | 0 | 0 | 112.4 | V61 L130 Y131 I133 T193 A195 | V61-N164 PolarHBondContact O-ND2 3.44Å; L130-N164 HydrophobicContact CD2-CB 4.47Å; Y131-N164 PolarHBondContact O-N 3.07Å; I133-N164 WeakPolarHBondContact CG1-O 3.36Å; I133-N164 WeakPolarHBondContact CG2-O 3.43Å; I133-N164 PolarHBondContact N-O 3.27Å; N164-T193 CarbonylContact C-O 3.54Å; N164-T193 VanDerWaalsContact CA-O 3.32Å; N164-T193 WeakPolarHBondContact CA-O 3.27Å; N164-T193 PolarHBondContact OD1-O 3.47Å; N164-T193 PolarHBondContact OD1-OG1 3.49Å; N164-A195 PolarHBondContact OD1-N 2.85Å |
| 165 | K | 97.9 | Very high | 95.5 | Very high | 53 Ų | 53 | 51.5 Ų | 51.5 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | 68 | 33.2 | -176.2 | -45 | -167.9 | -166.4 | 168.9 | 0 | 113.7 | G60 D132 I133 D167 M168 T193 | G60-K165 WeakPolarHBondContact O-CE 3.44Å; G60-K165 PolarHBondContact O-NZ 3.47Å; D132-K165 HydrophobicContact CB-CD 4.47Å; D132-K165 WeakPolarHBondContact OD1-CD 3.39Å; D132-K165 WeakPolarHBondContact OD2-CD 3.47Å; D132-K165 WeakPolarHBondContact OD2-CE 3.28Å; D132-K165 IonicContact OD2-NZ 3.35Å; D132-K165 PolarHBondContact OD2-NZ 2.96Å; I133-K165 WeakPolarHBondContact CD1-O 3.28Å; I133-K165 HydrophobicContact CG1-CB 4.5Å; I133-K165 WeakPolarHBondContact CG1-O 3.28Å; K165-D167 PolarHBondContact O-N 3.31Å; K165-M168 HydrophobicContact CB-CG 4.32Å; K165-M168 HydrophobicContact CB-SD 4.1Å; K165-M168 HydrophobicContact CD-SD 3.93Å; K165-M168 WeakPolarHBondContact O-CB 3.42Å; K165-M168 PolarHBondContact O-N 2.9Å; K165-T193 PolarHBondContact N-O 3.29Å | ||
| 166 | A | 98 | Very high | 96.4 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 21% | 0.207 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -19 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | M168 E192 T193 | A166-M168 VanDerWaalsContact C-N 3.28Å; A166-M168 PolarHBondContact O-N 2.9Å; A166-E192 HydrophobicContact CB-CB 4.11Å; A166-T193 VanDerWaalsContact CB-O 3.29Å; A166-T193 WeakPolarHBondContact CB-O 3.13Å; A166-T193 PolarHBondContact N-O 2.86Å |
| 167 | D | 97.3 | Very high | 97 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -23.3 | 173 | 58 | -77.1 | 0 | 0 | 0 | 113.8 | K165 S169 S194 K196 T197 | K165-D167 PolarHBondContact O-N 3.31Å; D167-S169 PolarHBondContact O-N 2.91Å; D167-S194 WeakPolarHBondContact OD1-CB 3.3Å; D167-S194 PolarHBondContact OD1-OG 2.88Å; D167-K196 WeakPolarHBondContact OD2-CD 3.48Å; D167-K196 IonicContact OD2-NZ 2.66Å; D167-T197 HydrophobicContact CB-CG2 3.79Å |
| 168 | M | 96.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | trans | -86 | 49.8 | -178 | -60.2 | -176.1 | 68.1 | 0 | 0 | 112.3 | T134 K165 A166 S170 E171 R172 | T134-M168 HydrophobicContact CG2-CB 3.61Å; T134-M168 HydrophobicContact CG2-CE 4.2Å; T134-M168 HydrophobicContact CG2-CG 4.45Å; T134-M168 HydrophobicContact CG2-SD 4.12Å; K165-M168 HydrophobicContact CB-CG 4.32Å; K165-M168 HydrophobicContact CB-SD 4.1Å; K165-M168 HydrophobicContact CD-SD 3.93Å; K165-M168 WeakPolarHBondContact O-CB 3.42Å; K165-M168 PolarHBondContact O-N 2.9Å; A166-M168 VanDerWaalsContact C-N 3.28Å; A166-M168 PolarHBondContact O-N 2.9Å; M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 3.38Å; M168-E171 HydrophobicContact CB-CB 4.48Å; M168-E171 HydrophobicContact CE-CB 4.34Å; M168-E171 HydrophobicContact CE-CG 4.43Å; M168-E171 VanDerWaalsContact CE-OE1 3.25Å; M168-E171 WeakPolarHBondContact CE-OE1 3.46Å; M168-E171 VanDerWaalsContact CE-OE2 3.25Å; M168-E171 WeakPolarHBondContact CE-OE2 3.18Å; M168-E171 PolarHBondContact O-N 2.84Å; M168-R172 PolarHBondContact O-N 3.07Å | ||
| 169 | S | 93.8 | Very high | 97.4 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 61% | 0.608 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -58.6 | -33.3 | -174.2 | 60 | 0 | 0 | 0 | 0 | 114.5 | D167 E171 R172 | D167-S169 PolarHBondContact O-N 2.91Å; S169-E171 VanDerWaalsContact C-N 3.32Å; S169-E171 PolarHBondContact O-N 2.95Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 2.57Å |
| 170 | S | 96.3 | Very high | 97.5 | Very high | 109 Ų | 109 | 49.7 Ų | 49.7 | 76% | 0.762 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -71.7 | -23.2 | 177.7 | 52 | 0 | 0 | 0 | 0 | 114.1 | M168 | M168-S170 VanDerWaalsContact C-N 3.28Å; M168-S170 PolarHBondContact O-N 3.38Å |
| 171 | E | 97 | Very high | 97.6 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 56% | 0.561 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -105.1 | 8.7 | -179.1 | -65.2 | 174.8 | -116.6 | 0 | 0 | 111.6 | T134 M168 S169 A173 | T134-E171 WeakPolarHBondContact CA-O 3.48Å; T134-E171 WeakPolarHBondContact CB-O 3.48Å; T134-E171 HydrophobicContact CG2-CB 3.93Å; M168-E171 HydrophobicContact CB-CB 4.48Å; M168-E171 HydrophobicContact CE-CB 4.34Å; M168-E171 HydrophobicContact CE-CG 4.43Å; M168-E171 VanDerWaalsContact CE-OE1 3.25Å; M168-E171 WeakPolarHBondContact CE-OE1 3.46Å; M168-E171 VanDerWaalsContact CE-OE2 3.25Å; M168-E171 WeakPolarHBondContact CE-OE2 3.18Å; M168-E171 PolarHBondContact O-N 2.84Å; S169-E171 VanDerWaalsContact C-N 3.32Å; S169-E171 PolarHBondContact O-N 2.95Å; E171-A173 PolarHBondContact O-N 3.27Å |
| 172 | R | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 29% | 0.291 | 28% | 0.283 | S | S | . | . | trans | -59.8 | 120.3 | -178 | 178.2 | 179.6 | -75.8 | -87.5 | 10.2 | 110.7 | I133 M168 S169 I174 E192 | I133-R172 HydrophobicContact CD1-CB 4.37Å; I133-R172 HydrophobicContact CD1-CG 4.31Å; I133-R172 VanDerWaalsContact CD1-CZ 3.48Å; M168-R172 PolarHBondContact O-N 3.07Å; S169-R172 WeakPolarHBondContact O-CB 3.43Å; S169-R172 PolarHBondContact O-N 2.57Å; R172-I174 WeakPolarHBondContact CD-O 3.49Å; R172-I174 WeakPolarHBondContact CG-O 3.49Å; R172-I174 PolarHBondContact NH1-O 2.84Å; R172-E192 IonicContact CZ-OE1 3.43Å; R172-E192 VanDerWaalsContact CZ-OE1 3.32Å; R172-E192 IonicContact CZ-OE2 2.71Å; R172-E192 IonicContact NH1-OE1 3.98Å; R172-E192 PolarHBondContact NH1-OE1 2.72Å; R172-E192 IonicContact NH2-OE1 2.69Å; R172-E192 PolarHBondContact NH2-OE1 3.1Å; R172-E192 IonicContact NH2-OE2 3.88Å; R172-E192 PolarHBondContact NH2-OE2 2.77Å | ||
| 173 | A | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 56.7 Ų | 56.7 | 46% | 0.455 | 29% | 0.285 | S | S | . | . | trans | -104.5 | -19.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | I133 T134 E171 | I133-A173 PolarHBondContact O-N 3.37Å; T134-A173 WeakPolarHBondContact O-CB 3.44Å; E171-A173 PolarHBondContact O-N 3.27Å | ||
| 174 | I | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -117.7 | 124.7 | 178 | -55.7 | 92 | 0 | 0 | 0 | 109.1 | Y131 D132 I133 F139 R172 E178 | Y131-I174 HydrophobicContact CE2-CB 4.26Å; Y131-I174 HydrophobicContact CE2-CG2 4.12Å; D132-I174 WeakPolarHBondContact O-CD1 3.41Å; I133-I174 VanDerWaalsContact C-CD1 3.47Å; I133-I174 WeakPolarHBondContact O-CD1 3.24Å; I133-I174 PolarHBondContact O-N 3.35Å; F139-I174 HydrophobicContact CB-CD1 4.14Å; F139-I174 HydrophobicContact CB-CG1 3.78Å; F139-I174 HydrophobicContact CD1-CG1 4.23Å; F139-I174 HydrophobicContact CD1-CG2 4.11Å; F139-I174 HydrophobicContact CD2-CG2 4.02Å; F139-I174 HydrophobicContact CE1-CG2 4.22Å; F139-I174 HydrophobicContact CE2-CG2 4.14Å; F139-I174 HydrophobicContact CG-CG1 3.98Å; F139-I174 HydrophobicContact CG-CG2 4Å; F139-I174 HydrophobicContact CZ-CG2 4.23Å; R172-I174 WeakPolarHBondContact CD-O 3.49Å; R172-I174 WeakPolarHBondContact CG-O 3.49Å; R172-I174 PolarHBondContact NH1-O 2.84Å; I174-E178 HydrophobicContact CG2-CB 4.02Å |
| 175 | R | 97.8 | Very high | 97 | Very high | 152 Ų | 152 | 69.3 Ų | 69.3 | 57% | 0.574 | 34% | 0.337 | S | S | * | . | trans | -74.8 | 150 | 175.9 | -61 | 172.4 | 44.9 | 176.4 | -3.9 | 110.6 | D177 E178 G179 | R175-D177 VanDerWaalsContact C-N 3.26Å; R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 IonicContact CZ-OD1 3.05Å; R175-D177 VanDerWaalsContact CZ-OD1 3.29Å; R175-D177 IonicContact CZ-OD2 2.85Å; R175-D177 IonicContact NE-OD1 3.04Å; R175-D177 PolarHBondContact NE-OD1 3.33Å; R175-D177 IonicContact NE-OD2 3.32Å; R175-D177 IonicContact NH2-OD1 3.01Å; R175-D177 PolarHBondContact NH2-OD1 3.39Å; R175-D177 IonicContact NH2-OD2 2.68Å; R175-D177 PolarHBondContact NH2-OD2 3.42Å; R175-D177 PolarHBondContact O-N 2.84Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 PolarHBondContact N-OE2 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.43Å; R175-G179 PolarHBondContact O-N 3.23Å | ||
| 176 | R | 96.8 | Very high | 96.7 | Very high | 82 Ų | 82 | 69.4 Ų | 69.4 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 179.7 | -174.7 | -179 | -179.8 | 115.4 | -14.3 | 112.9 | E178 G179 E180 F190 E192 | R176-E178 PolarHBondContact O-N 2.83Å; R176-G179 PolarHBondContact O-N 2.97Å; R176-G179 VanDerWaalsContact O-N 3.17Å; R176-E180 HydrophobicContact CG-CG 4.5Å; R176-E180 IonicContact NE-OE1 3.29Å; R176-E180 PolarHBondContact NE-OE1 2.92Å; R176-E180 WeakPolarHBondContact O-CG 3.41Å; R176-E180 PolarHBondContact O-N 3.5Å; R176-F190 HydrophobicContact CG-CE1 4.2Å; R176-E192 HydrophobicContact CG-CG 4.29Å; R176-E192 IonicContact CZ-OE2 2.79Å; R176-E192 IonicContact NH1-OE2 3.18Å; R176-E192 PolarHBondContact NH1-OE2 2.7Å |
| 177 | D | 97.7 | Very high | 96.4 | Very high | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.1 | -24.5 | 179.6 | 58.6 | -56.3 | 0 | 0 | 0 | 113.3 | R175 R181 | R175-D177 VanDerWaalsContact C-N 3.26Å; R175-D177 WeakPolarHBondContact CB-OD1 3.43Å; R175-D177 IonicContact CZ-OD1 3.05Å; R175-D177 VanDerWaalsContact CZ-OD1 3.29Å; R175-D177 IonicContact CZ-OD2 2.85Å; R175-D177 IonicContact NE-OD1 3.04Å; R175-D177 PolarHBondContact NE-OD1 3.33Å; R175-D177 IonicContact NE-OD2 3.32Å; R175-D177 IonicContact NH2-OD1 3.01Å; R175-D177 PolarHBondContact NH2-OD1 3.39Å; R175-D177 IonicContact NH2-OD2 2.68Å; R175-D177 PolarHBondContact NH2-OD2 3.42Å; R175-D177 PolarHBondContact O-N 2.84Å; D177-R181 VanDerWaalsContact O-CB 3.26Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 2.94Å |
| 178 | E | 98.1 | Very high | 96.3 | Very high | 60 Ų | 60 | 71.1 Ų | 71.1 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 172.4 | -63.1 | -179.2 | 85.1 | 0 | 0 | 111.5 | F139 I174 R175 R176 R181 L182 | F139-E178 HydrophobicContact CE1-CB 4.38Å; F139-E178 HydrophobicContact CZ-CB 4.1Å; I174-E178 HydrophobicContact CG2-CB 4.02Å; R175-E178 HydrophobicContact CB-CG 4.24Å; R175-E178 PolarHBondContact N-OE2 3.34Å; R175-E178 WeakPolarHBondContact O-CB 3.49Å; R175-E178 PolarHBondContact O-N 3.43Å; R176-E178 PolarHBondContact O-N 2.83Å; E178-R181 PolarHBondContact O-N 2.69Å; E178-L182 PolarHBondContact O-N 3.37Å |
| 179 | G | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | R175 R176 R181 L182 A183 | R175-G179 PolarHBondContact O-N 3.23Å; R176-G179 PolarHBondContact O-N 2.97Å; R176-G179 VanDerWaalsContact O-N 3.17Å; G179-R181 VanDerWaalsContact C-N 3.34Å; G179-R181 PolarHBondContact O-N 3.45Å; G179-L182 PolarHBondContact O-N 3.46Å; G179-A183 WeakPolarHBondContact O-CB 3.48Å; G179-A183 PolarHBondContact O-N 3.22Å |
| 180 | E | 97.1 | Very high | 96.4 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 26% | 0.262 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 175.8 | -69.9 | 173.3 | 177.4 | 0 | 0 | 112.3 | R176 A183 R184 F190 | R176-E180 HydrophobicContact CG-CG 4.5Å; R176-E180 IonicContact NE-OE1 3.29Å; R176-E180 PolarHBondContact NE-OE1 2.92Å; R176-E180 WeakPolarHBondContact O-CG 3.41Å; R176-E180 PolarHBondContact O-N 3.5Å; E180-A183 PolarHBondContact O-N 3.39Å; E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 2.8Å; E180-F190 HydrophobicContact CB-CD1 4.33Å; E180-F190 HydrophobicContact CG-CD1 3.5Å; E180-F190 VanDerWaalsContact CG-CD1 3.5Å; E180-F190 HydrophobicContact CG-CE1 3.62Å |
| 181 | R | 97.9 | Very high | 96.5 | Very high | 142 Ų | 142 | 60.5 Ų | 60.5 | 54% | 0.536 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 176 | -178.2 | -179 | 63.2 | 168.2 | -3.6 | 111.6 | D177 E178 G179 A183 R184 E185 | D177-R181 VanDerWaalsContact O-CB 3.26Å; D177-R181 WeakPolarHBondContact O-CB 3.45Å; D177-R181 PolarHBondContact O-N 2.94Å; E178-R181 PolarHBondContact O-N 2.69Å; G179-R181 VanDerWaalsContact C-N 3.34Å; G179-R181 PolarHBondContact O-N 3.45Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.43Å; R181-R184 PolarHBondContact O-N 2.69Å; R181-E185 PolarHBondContact O-N 3.18Å |
| 182 | L | 96.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.7 | -174.8 | 66.2 | 0 | 0 | 0 | 111 | F139 I142 R143 L161 E178 G179 R184 E185 Y186 | F139-L182 HydrophobicContact CD2-CD2 4.26Å; F139-L182 HydrophobicContact CE2-CB 4.3Å; F139-L182 HydrophobicContact CE2-CD2 3.55Å; F139-L182 HydrophobicContact CZ-CB 4.12Å; F139-L182 HydrophobicContact CZ-CD2 3.78Å; I142-L182 HydrophobicContact CB-CD2 3.89Å; I142-L182 HydrophobicContact CG2-CD2 3.52Å; I142-L182 HydrophobicContact CG2-CG 4.46Å; R143-L182 HydrophobicContact CG-CD1 3.98Å; L161-L182 HydrophobicContact CD2-CD2 4.28Å; L161-L182 HydrophobicContact CD2-CG 4.49Å; E178-L182 PolarHBondContact O-N 3.37Å; G179-L182 PolarHBondContact O-N 3.46Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.97Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 3.33Å; L182-Y186 HydrophobicContact CD1-CD2 3.94Å; L182-Y186 HydrophobicContact CD1-CE2 3.65Å; L182-Y186 HydrophobicContact CG-CD2 4.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.45Å; L182-Y186 PolarHBondContact O-N 2.91Å |
| 183 | A | 95.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L161 G179 E180 R181 Y186 S187 V188 F190 | L161-A183 HydrophobicContact CD2-CB 4.19Å; G179-A183 WeakPolarHBondContact O-CB 3.48Å; G179-A183 PolarHBondContact O-N 3.22Å; E180-A183 PolarHBondContact O-N 3.39Å; R181-A183 VanDerWaalsContact C-N 3.32Å; R181-A183 PolarHBondContact O-N 3.43Å; A183-Y186 CarbonylContact O-C 3.56Å; A183-Y186 PolarHBondContact O-N 3.35Å; A183-S187 WeakPolarHBondContact O-CA 3.28Å; A183-S187 PolarHBondContact O-N 3.43Å; A183-V188 HydrophobicContact CB-CG2 4.27Å; A183-V188 WeakPolarHBondContact CB-O 3.38Å; A183-V188 PolarHBondContact O-N 3.27Å; A183-F190 HydrophobicContact CB-CB 3.36Å; A183-F190 HydrophobicContact CB-CG 4.15Å |
| 184 | R | 95.4 | Very high | 96.6 | Very high | 160 Ų | 160 | 49 Ų | 49 | 60% | 0.604 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -63.8 | -40.7 | 173.5 | -74.8 | -172.3 | -63.1 | -91.1 | -0.8 | 112.6 | E180 R181 L182 Y186 S187 | E180-R184 WeakPolarHBondContact O-CG 3.42Å; E180-R184 PolarHBondContact O-N 2.8Å; R181-R184 PolarHBondContact O-N 2.69Å; L182-R184 VanDerWaalsContact C-N 3.34Å; L182-R184 PolarHBondContact O-N 2.97Å; R184-Y186 PolarHBondContact O-N 3.15Å; R184-S187 PolarHBondContact O-N 3.02Å |
| 185 | E | 94.8 | Very high | 96.5 | Very high | 108 Ų | 108 | 49 Ų | 49 | 51% | 0.505 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.8 | -40.2 | 177.4 | -174.3 | -176.2 | 158.8 | 0 | 0 | 111.5 | R143 R181 L182 | R143-E185 IonicContact NE-OE1 3.02Å; R143-E185 IonicContact NH2-OE2 3.99Å; R143-E185 PolarHBondContact NH2-OE2 3.19Å; R181-E185 PolarHBondContact O-N 3.18Å; L182-E185 WeakPolarHBondContact O-CB 3.49Å; L182-E185 PolarHBondContact O-N 3.33Å |
| 186 | Y | 91.9 | Very high | 96.5 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 22% | 0.216 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 5.9 | -179.9 | -70.7 | -93.8 | 0 | 0 | 0 | 114.2 | R143 L146 L182 A183 R184 V188 | R143-Y186 HydrophobicContact CG-CE2 4.12Å; R143-Y186 WeakPolarHBondContact CG-OH 3.45Å; L146-Y186 HydrophobicContact CB-CD1 3.95Å; L146-Y186 HydrophobicContact CB-CE1 3.9Å; L146-Y186 HydrophobicContact CD1-CD1 3.75Å; L146-Y186 HydrophobicContact CD1-CD2 3.65Å; L146-Y186 HydrophobicContact CD1-CE1 4.09Å; L146-Y186 HydrophobicContact CD1-CE2 4.01Å; L146-Y186 HydrophobicContact CD1-CG 3.51Å; L146-Y186 HydrophobicContact CG-CD1 4.36Å; L182-Y186 HydrophobicContact CD1-CD2 3.94Å; L182-Y186 HydrophobicContact CD1-CE2 3.65Å; L182-Y186 HydrophobicContact CG-CD2 4.41Å; L182-Y186 WeakPolarHBondContact O-CD2 3.45Å; L182-Y186 PolarHBondContact O-N 2.91Å; A183-Y186 CarbonylContact O-C 3.56Å; A183-Y186 PolarHBondContact O-N 3.35Å; R184-Y186 PolarHBondContact O-N 3.15Å; Y186-V188 PolarHBondContact O-N 3.05Å |
| 187 | S | 92.3 | Very high | 96.5 | Very high | 99 Ų | 99 | 47.5 Ų | 47.5 | 69% | 0.692 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 35.1 | -178.2 | -57 | 0 | 0 | 0 | 0 | 114.6 | A183 R184 | A183-S187 WeakPolarHBondContact O-CA 3.28Å; A183-S187 PolarHBondContact O-N 3.43Å; R184-S187 PolarHBondContact O-N 3.02Å |
| 188 | V | 94.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 45.5 Ų | 45.5 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | trans | -106.7 | 147.2 | 176.6 | -62.2 | 0 | 0 | 0 | 0 | 111.1 | I159 L161 A183 Y186 H228 | I159-V188 HydrophobicContact CB-CG1 3.93Å; I159-V188 HydrophobicContact CG2-CG1 4.01Å; L161-V188 HydrophobicContact CB-CG2 4.07Å; A183-V188 HydrophobicContact CB-CG2 4.27Å; A183-V188 WeakPolarHBondContact CB-O 3.38Å; A183-V188 PolarHBondContact O-N 3.27Å; Y186-V188 PolarHBondContact O-N 3.05Å; V188-H228 PolarHBondContact O-NE2 3.07Å; V188-H228 VanDerWaalsContact O-NE2 3.13Å | ||
| 189 | P | 96 | Very high | 96.4 | Very high | 7 Ų | 7 | 46 Ų | 46 | 5% | 0.045 | 23% | 0.228 | C | C | . | . | trans | -63.7 | 148.7 | 171.7 | 23 | -33.3 | 0 | 0 | 0 | 111.7 | I159 M160 L161 I227 H228 I231 | I159-P189 WeakPolarHBondContact O-CD 3.45Å; I159-P189 WeakPolarHBondContact O-CG 3.24Å; M160-P189 HydrophobicContact CB-CG 4.06Å; M160-P189 HydrophobicContact CE-CG 4.41Å; M160-P189 HydrophobicContact CG-CB 4.43Å; M160-P189 HydrophobicContact CG-CG 4.15Å; L161-P189 PolarHBondContact N-O 3.38Å; P189-I227 HydrophobicContact CB-CG1 4.37Å; P189-I227 HydrophobicContact CB-CG2 4.06Å; P189-I227 HydrophobicContact CG-CD1 4.12Å; P189-I227 HydrophobicContact CG-CG1 4.28Å; P189-I227 HydrophobicContact CG-CG2 3.73Å; P189-H228 WeakPolarHBondContact CA-NE2 3.24Å; P189-H228 VanDerWaalsContact CD-CE1 3.5Å; P189-H228 WeakPolarHBondContact CD-CE1 3.37Å; P189-I231 HydrophobicContact CB-CD1 3.59Å | ||
| 190 | F | 97.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 140.3 | -179.9 | 169.9 | -99.2 | 0 | 0 | 0 | 114.2 | Y131 L161 R176 E180 A183 E192 | Y131-F190 AromaticContact CE1-CE2 3.91Å; Y131-F190 HydrophobicContact CE1-CE2 3.91Å; Y131-F190 WeakPolarHBondContact OH-CE2 3.38Å; L161-F190 HydrophobicContact CB-CD2 4.15Å; L161-F190 HydrophobicContact CD2-CD2 3.93Å; L161-F190 HydrophobicContact CG-CD2 3.85Å; L161-F190 HydrophobicContact CG-CE2 4.47Å; L161-F190 WeakPolarHBondContact O-CA 3.34Å; L161-F190 WeakPolarHBondContact O-CD2 3.07Å; R176-F190 HydrophobicContact CG-CE1 4.2Å; E180-F190 HydrophobicContact CB-CD1 4.33Å; E180-F190 HydrophobicContact CG-CD1 3.5Å; E180-F190 VanDerWaalsContact CG-CD1 3.5Å; E180-F190 HydrophobicContact CG-CE1 3.62Å; A183-F190 HydrophobicContact CB-CB 3.36Å; A183-F190 HydrophobicContact CB-CG 4.15Å; F190-E192 HydrophobicContact CE1-CG 4.13Å; F190-E192 HydrophobicContact CZ-CG 3.64Å |
| 191 | M | 97 | Very high | 96.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 150.5 | 170.5 | 60.5 | -158.3 | -69.1 | 0 | 0 | 111.6 | M160 L161 L162 G163 T193 N200 L203 A204 | M160-M191 HydrophobicContact CE-SD 4.33Å; M160-M191 HydrophobicContact SD-CG 4.4Å; M160-M191 HydrophobicContact SD-SD 3.6Å; M160-M191 VanDerWaalsContact SD-SD 3.6Å; L161-M191 PolarHBondContact O-N 3.39Å; L162-M191 WeakPolarHBondContact CA-O 3.37Å; L162-M191 HydrophobicContact CD2-CG 3.24Å; L162-M191 HydrophobicContact CD2-SD 3.84Å; G163-M191 PolarHBondContact N-O 3.11Å; M191-T193 HydrophobicContact CE-CG2 4.31Å; M191-T193 HydrophobicContact CG-CG2 4.14Å; M191-N200 HydrophobicContact CE-CB 3.52Å; M191-N200 WeakPolarHBondContact CE-O 3.42Å; M191-L203 HydrophobicContact CE-CB 4Å; M191-L203 HydrophobicContact CE-CD2 4.08Å; M191-L203 HydrophobicContact CE-CG 3.92Å; M191-A204 HydrophobicContact CE-CB 3.73Å; M191-A204 VanDerWaalsContact SD-CA 3.59Å; M191-A204 HydrophobicContact SD-CB 3.56Å; M191-A204 VanDerWaalsContact SD-CB 3.56Å |
| 192 | E | 98.4 | Very high | 96.5 | Very high | 10 Ų | 10 | 43.9 Ų | 43.9 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 136.9 | 166.7 | -65.1 | -173.7 | 142.1 | 0 | 0 | 109.7 | G163 A166 R172 R176 F190 N200 | G163-E192 CarbonylContact O-C 3.59Å; G163-E192 WeakPolarHBondContact O-CA 3.42Å; A166-E192 HydrophobicContact CB-CB 4.11Å; R172-E192 IonicContact CZ-OE1 3.43Å; R172-E192 VanDerWaalsContact CZ-OE1 3.32Å; R172-E192 IonicContact CZ-OE2 2.71Å; R172-E192 IonicContact NH1-OE1 3.98Å; R172-E192 PolarHBondContact NH1-OE1 2.72Å; R172-E192 IonicContact NH2-OE1 2.69Å; R172-E192 PolarHBondContact NH2-OE1 3.1Å; R172-E192 IonicContact NH2-OE2 3.88Å; R172-E192 PolarHBondContact NH2-OE2 2.77Å; R176-E192 HydrophobicContact CG-CG 4.29Å; R176-E192 IonicContact CZ-OE2 2.79Å; R176-E192 IonicContact NH1-OE2 3.18Å; R176-E192 PolarHBondContact NH1-OE2 2.7Å; F190-E192 HydrophobicContact CE1-CG 4.13Å; F190-E192 HydrophobicContact CZ-CG 3.64Å; E192-N200 VanDerWaalsContact O-CB 3.29Å; E192-N200 WeakPolarHBondContact O-CB 3.33Å; E192-N200 PolarHBondContact O-ND2 3.27Å |
| 193 | T | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -124.7 | 160.4 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 110.9 | L162 G163 N164 K165 A166 M191 V199 N200 | L162-T193 HydrophobicContact CD2-CG2 4.06Å; G163-T193 PolarHBondContact O-N 3.03Å; N164-T193 CarbonylContact C-O 3.54Å; N164-T193 VanDerWaalsContact CA-O 3.32Å; N164-T193 WeakPolarHBondContact CA-O 3.27Å; N164-T193 PolarHBondContact OD1-O 3.47Å; N164-T193 PolarHBondContact OD1-OG1 3.49Å; K165-T193 PolarHBondContact N-O 3.29Å; A166-T193 VanDerWaalsContact CB-O 3.29Å; A166-T193 WeakPolarHBondContact CB-O 3.13Å; A166-T193 PolarHBondContact N-O 2.86Å; M191-T193 HydrophobicContact CE-CG2 4.31Å; M191-T193 HydrophobicContact CG-CG2 4.14Å; T193-V199 WeakPolarHBondContact CA-O 3.32Å; T193-N200 HydrophobicContact CG2-CB 4.01Å | ||
| 194 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -138 | 107.9 | 167.5 | 165.3 | 0 | 0 | 0 | 0 | 108.9 | D167 K196 T197 G198 V199 | D167-S194 WeakPolarHBondContact OD1-CB 3.3Å; D167-S194 PolarHBondContact OD1-OG 2.88Å; S194-K196 PolarHBondContact O-N 3.19Å; S194-K196 PolarHBondContact OG-N 3.25Å; S194-T197 WeakPolarHBondContact CB-OG1 3.39Å; S194-T197 PolarHBondContact O-N 3.06Å; S194-T197 PolarHBondContact OG-N 3.07Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 2.98Å; S194-G198 CarbonylContact O-C 3.39Å; S194-G198 WeakPolarHBondContact O-CA 3.36Å; S194-G198 PolarHBondContact O-N 2.66Å; S194-V199 PolarHBondContact N-O 2.77Å; S194-V199 PolarHBondContact O-N 3.34Å | ||
| 195 | A | 97.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q69 F75 N164 | Q69-A195 HydrophobicContact CB-CB 4.48Å; Q69-A195 VanDerWaalsContact CD-O 3.3Å; Q69-A195 VanDerWaalsContact CG-O 3.28Å; Q69-A195 WeakPolarHBondContact CG-O 3.31Å; Q69-A195 PolarHBondContact OE1-O 3.06Å; F75-A195 HydrophobicContact CD2-CB 4.32Å; N164-A195 PolarHBondContact OD1-N 2.85Å |
| 196 | K | 96.6 | Very high | 96.9 | Very high | 123 Ų | 123 | 33.3 Ų | 33.3 | 54% | 0.535 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -41.7 | -179.5 | -173 | -172.9 | -175.4 | 178.5 | 0 | 113.1 | F75 D167 S194 | F75-K196 HydrophobicContact CD1-CB 4.31Å; F75-K196 HydrophobicContact CD1-CG 3.91Å; F75-K196 HydrophobicContact CD2-CB 4.14Å; F75-K196 HydrophobicContact CE1-CB 4.36Å; F75-K196 HydrophobicContact CE1-CG 4.01Å; F75-K196 HydrophobicContact CE2-CB 4.19Å; F75-K196 HydrophobicContact CG-CB 4.19Å; F75-K196 HydrophobicContact CG-CG 4.23Å; F75-K196 HydrophobicContact CZ-CB 4.3Å; F75-K196 HydrophobicContact CZ-CG 4.41Å; D167-K196 WeakPolarHBondContact OD2-CD 3.48Å; D167-K196 IonicContact OD2-NZ 2.66Å; S194-K196 PolarHBondContact O-N 3.19Å; S194-K196 PolarHBondContact OG-N 3.25Å |
| 197 | T | 97.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 30.7 Ų | 30.7 | 49% | 0.485 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -12.5 | -174.9 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | D167 S194 V199 | D167-T197 HydrophobicContact CB-CG2 3.79Å; S194-T197 WeakPolarHBondContact CB-OG1 3.39Å; S194-T197 PolarHBondContact O-N 3.06Å; S194-T197 PolarHBondContact OG-N 3.07Å; S194-T197 VanDerWaalsContact OG-N 3.07Å; S194-T197 PolarHBondContact OG-OG1 2.98Å; T197-V199 PolarHBondContact O-N 3.01Å; T197-V199 VanDerWaalsContact OG1-CG2 3.28Å; T197-V199 WeakPolarHBondContact OG1-CG2 3.39Å; T197-V199 PolarHBondContact OG1-N 2.81Å |
| 198 | G | 97.3 | Very high | 97.3 | Very high | 24 Ų | 24 | 26 Ų | 26 | 25% | 0.247 | 14% | 0.142 | C | C | . | . | trans | 79.7 | -3.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114 | S194 N200 V201 | S194-G198 CarbonylContact O-C 3.39Å; S194-G198 WeakPolarHBondContact O-CA 3.36Å; S194-G198 PolarHBondContact O-N 2.66Å; G198-N200 PolarHBondContact O-N 3.36Å; G198-N200 VanDerWaalsContact O-N 3.13Å; G198-V201 PolarHBondContact O-N 3.38Å; G198-V201 VanDerWaalsContact O-N 3.15Å | ||
| 199 | V | 97.8 | Very high | 97.4 | Very high | 71 Ų | 71 | 25.5 Ų | 25.5 | 43% | 0.43 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 123.7 | 179.8 | 167.4 | 0 | 0 | 0 | 0 | 109.7 | T193 S194 T197 V201 | T193-V199 WeakPolarHBondContact CA-O 3.32Å; S194-V199 PolarHBondContact N-O 2.77Å; S194-V199 PolarHBondContact O-N 3.34Å; T197-V199 PolarHBondContact O-N 3.01Å; T197-V199 VanDerWaalsContact OG1-CG2 3.28Å; T197-V199 WeakPolarHBondContact OG1-CG2 3.39Å; T197-V199 PolarHBondContact OG1-N 2.81Å; V199-V201 PolarHBondContact O-N 3.26Å |
| 200 | N | 97.9 | Very high | 97.4 | Very high | 46 Ų | 46 | 27.1 Ų | 27.1 | 25% | 0.246 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | 5.3 | 174.9 | -71.5 | -22.3 | 0 | 0 | 0 | 115.4 | M191 E192 T193 G198 A204 | M191-N200 HydrophobicContact CE-CB 3.52Å; M191-N200 WeakPolarHBondContact CE-O 3.42Å; E192-N200 VanDerWaalsContact O-CB 3.29Å; E192-N200 WeakPolarHBondContact O-CB 3.33Å; E192-N200 PolarHBondContact O-ND2 3.27Å; T193-N200 HydrophobicContact CG2-CB 4.01Å; G198-N200 PolarHBondContact O-N 3.36Å; G198-N200 VanDerWaalsContact O-N 3.13Å; N200-A204 PolarHBondContact O-N 3.24Å; N200-A204 VanDerWaalsContact O-N 3.07Å |
| 201 | V | 98.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.4 | -56.5 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 110.5 | L66 Q69 F70 G198 V199 L203 A204 F205 | L66-V201 HydrophobicContact CD1-CB 4.39Å; L66-V201 HydrophobicContact CD1-CG1 4.12Å; L66-V201 HydrophobicContact CD1-CG2 3.7Å; L66-V201 HydrophobicContact CG-CG1 4.29Å; Q69-V201 HydrophobicContact CB-CG1 4.24Å; Q69-V201 HydrophobicContact CG-CB 4.25Å; Q69-V201 HydrophobicContact CG-CG1 4.09Å; Q69-V201 HydrophobicContact CG-CG2 3.98Å; F70-V201 HydrophobicContact CB-CG1 3.78Å; G198-V201 PolarHBondContact O-N 3.38Å; G198-V201 VanDerWaalsContact O-N 3.15Å; V199-V201 PolarHBondContact O-N 3.26Å; V201-L203 VanDerWaalsContact C-N 3.26Å; V201-L203 PolarHBondContact O-N 3.23Å; V201-A204 PolarHBondContact O-N 3.22Å; V201-F205 HydrophobicContact CG1-CD2 4.43Å; V201-F205 HydrophobicContact CG1-CE2 4.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å; V201-F205 PolarHBondContact O-N 2.92Å |
| 202 | E | 97.3 | Very high | 97.1 | Very high | 103 Ų | 103 | 27.3 Ų | 27.3 | 48% | 0.481 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -57.9 | -41.1 | 178 | -171.9 | 63.6 | -160.3 | 0 | 0 | 112.1 | F70 A204 F205 T206 | F70-E202 VanDerWaalsContact CD2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CD2-OE2 3.26Å; F70-E202 VanDerWaalsContact CE2-OE2 3.31Å; F70-E202 WeakPolarHBondContact CE2-OE2 3.36Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.03Å; E202-F205 PolarHBondContact O-N 2.99Å; E202-T206 VanDerWaalsContact O-CB 3.28Å; E202-T206 WeakPolarHBondContact O-CB 3.39Å; E202-T206 PolarHBondContact O-N 3.04Å; E202-T206 PolarHBondContact O-OG1 2.86Å |
| 203 | L | 97.4 | Very high | 96.8 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 14% | 0.141 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.2 | -39.2 | -179.5 | 177.9 | 59.6 | 0 | 0 | 0 | 112 | M191 V201 T206 A207 Y230 Q234 | M191-L203 HydrophobicContact CE-CB 4Å; M191-L203 HydrophobicContact CE-CD2 4.08Å; M191-L203 HydrophobicContact CE-CG 3.92Å; V201-L203 VanDerWaalsContact C-N 3.26Å; V201-L203 PolarHBondContact O-N 3.23Å; L203-T206 PolarHBondContact O-N 2.95Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; L203-Y230 HydrophobicContact CD1-CE1 3.64Å; L203-Q234 HydrophobicContact CD1-CB 4.14Å; L203-Q234 HydrophobicContact CD1-CG 3.75Å; L203-Q234 HydrophobicContact CD2-CB 3.81Å; L203-Q234 HydrophobicContact CD2-CG 4.36Å |
| 204 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -50.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M160 L162 M191 N200 V201 E202 A207 V208 | M160-A204 HydrophobicContact SD-CB 4.09Å; L162-A204 HydrophobicContact CD1-CB 4.46Å; L162-A204 HydrophobicContact CD2-CB 4.15Å; M191-A204 HydrophobicContact CE-CB 3.73Å; M191-A204 VanDerWaalsContact SD-CA 3.59Å; M191-A204 HydrophobicContact SD-CB 3.56Å; M191-A204 VanDerWaalsContact SD-CB 3.56Å; N200-A204 PolarHBondContact O-N 3.24Å; N200-A204 VanDerWaalsContact O-N 3.07Å; V201-A204 PolarHBondContact O-N 3.22Å; E202-A204 VanDerWaalsContact C-N 3.34Å; E202-A204 PolarHBondContact O-N 3.03Å; A204-A207 PolarHBondContact O-N 3.15Å; A204-V208 PolarHBondContact O-N 3.42Å; A204-V208 VanDerWaalsContact O-N 3.17Å |
| 205 | F | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69 | -37.8 | 179.7 | -71.4 | -83.3 | 0 | 0 | 0 | 112.3 | L55 L66 F70 L102 I104 L128 V201 E202 V208 A209 | L55-F205 HydrophobicContact CD2-CE1 4.18Å; L55-F205 HydrophobicContact CD2-CZ 4.09Å; L66-F205 HydrophobicContact CD2-CE2 4.04Å; L66-F205 HydrophobicContact CD2-CZ 4.23Å; L66-F205 HydrophobicContact CG-CE2 4.19Å; F70-F205 HydrophobicContact CB-CD2 3.74Å; F70-F205 HydrophobicContact CB-CE2 3.57Å; F70-F205 HydrophobicContact CB-CZ 4.26Å; F70-F205 HydrophobicContact CD1-CB 4.26Å; F70-F205 AromaticContact CD1-CD1 3.8Å; F70-F205 HydrophobicContact CD1-CD1 3.8Å; F70-F205 AromaticContact CD1-CD2 3.67Å; F70-F205 HydrophobicContact CD1-CD2 3.67Å; F70-F205 AromaticContact CD1-CE1 3.99Å; F70-F205 HydrophobicContact CD1-CE1 3.99Å; F70-F205 AromaticContact CD1-CE2 3.89Å; F70-F205 HydrophobicContact CD1-CE2 3.89Å; F70-F205 AromaticContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CG 3.64Å; F70-F205 HydrophobicContact CD1-CZ 4.04Å; F70-F205 HydrophobicContact CD2-CB 3.89Å; F70-F205 AromaticContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CD2 3.53Å; F70-F205 HydrophobicContact CD2-CE2 4.27Å; F70-F205 AromaticContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CD2-CG 3.84Å; F70-F205 HydrophobicContact CE1-CB 3.83Å; F70-F205 AromaticContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD1 3.72Å; F70-F205 HydrophobicContact CE1-CD2 4.13Å; F70-F205 HydrophobicContact CE1-CE1 4.3Å; F70-F205 AromaticContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE1-CG 3.62Å; F70-F205 HydrophobicContact CE2-CB 3.44Å; F70-F205 VanDerWaalsContact CE2-CB 3.44Å; F70-F205 HydrophobicContact CE2-CD2 4.02Å; F70-F205 AromaticContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CE2-CG 3.85Å; F70-F205 HydrophobicContact CG-CB 4.28Å; F70-F205 HydrophobicContact CG-CD1 4.34Å; F70-F205 AromaticContact CG-CD2 3.34Å; F70-F205 HydrophobicContact CG-CD2 3.34Å; F70-F205 AromaticContact CG-CE2 3.64Å; F70-F205 HydrophobicContact CG-CE2 3.64Å; F70-F205 AromaticContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CG 3.74Å; F70-F205 HydrophobicContact CG-CZ 4.25Å; F70-F205 HydrophobicContact CZ-CB 3.39Å; F70-F205 HydrophobicContact CZ-CD1 4.21Å; F70-F205 HydrophobicContact CZ-CD2 4.29Å; F70-F205 AromaticContact CZ-CG 3.73Å; F70-F205 HydrophobicContact CZ-CG 3.73Å; L102-F205 HydrophobicContact CD1-CB 4.28Å; L102-F205 HydrophobicContact CD1-CD1 4.17Å; I104-F205 HydrophobicContact CD1-CD1 3.97Å; I104-F205 HydrophobicContact CD1-CE1 3.73Å; I104-F205 HydrophobicContact CG1-CE1 4.38Å; I104-F205 HydrophobicContact CG2-CE1 4.31Å; L128-F205 HydrophobicContact CD1-CD1 3.85Å; L128-F205 HydrophobicContact CD1-CE1 3.44Å; L128-F205 VanDerWaalsContact CD1-CE1 3.44Å; L128-F205 HydrophobicContact CD1-CE2 4.22Å; L128-F205 HydrophobicContact CD1-CG 4.4Å; L128-F205 HydrophobicContact CD1-CZ 3.65Å; V201-F205 HydrophobicContact CG1-CD2 4.43Å; V201-F205 HydrophobicContact CG1-CE2 4.26Å; V201-F205 WeakPolarHBondContact O-CD2 3.39Å; V201-F205 PolarHBondContact O-N 2.92Å; E202-F205 PolarHBondContact O-N 2.99Å; F205-V208 PolarHBondContact O-N 3.39Å; F205-A209 WeakPolarHBondContact O-CB 3.4Å; F205-A209 PolarHBondContact O-N 3.45Å |
| 206 | T | 96.9 | Very high | 95.4 | Very high | 24 Ų | 24 | 36.4 Ų | 36.4 | 15% | 0.147 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -42.3 | 176 | -60.1 | 0 | 0 | 0 | 0 | 112 | V95 E202 L203 V208 A209 K210 | V95-T206 HydrophobicContact CG2-CG2 4.38Å; E202-T206 VanDerWaalsContact O-CB 3.28Å; E202-T206 WeakPolarHBondContact O-CB 3.39Å; E202-T206 PolarHBondContact O-N 3.04Å; E202-T206 PolarHBondContact O-OG1 2.86Å; L203-T206 PolarHBondContact O-N 2.95Å; T206-V208 PolarHBondContact O-N 3.37Å; T206-A209 PolarHBondContact O-N 2.86Å; T206-K210 WeakPolarHBondContact O-CB 3.3Å; T206-K210 PolarHBondContact O-N 3.16Å |
| 207 | A | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | M160 L203 A204 K210 E211 I227 Y230 I231 | M160-A207 HydrophobicContact CE-CB 3.83Å; L203-A207 WeakPolarHBondContact O-CB 3.44Å; L203-A207 PolarHBondContact O-N 2.68Å; A204-A207 PolarHBondContact O-N 3.15Å; A207-K210 PolarHBondContact O-N 2.87Å; A207-E211 PolarHBondContact O-N 3.45Å; A207-I227 HydrophobicContact CB-CD1 4.2Å; A207-I227 HydrophobicContact CB-CG1 4.2Å; A207-Y230 HydrophobicContact CB-CD1 3.82Å; A207-Y230 HydrophobicContact CB-CE1 3.76Å; A207-I231 HydrophobicContact CB-CG1 4.35Å |
| 208 | V | 96.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 174.6 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | A126 L128 V158 M160 A204 F205 T206 K210 E211 L212 | A126-V208 HydrophobicContact CB-CG1 3.39Å; L128-V208 HydrophobicContact CD2-CG2 3.71Å; V158-V208 HydrophobicContact CG1-CG2 4.45Å; M160-V208 HydrophobicContact CB-CG2 4.46Å; M160-V208 HydrophobicContact CE-CG2 3.77Å; M160-V208 HydrophobicContact SD-CG2 4.25Å; A204-V208 PolarHBondContact O-N 3.42Å; A204-V208 VanDerWaalsContact O-N 3.17Å; F205-V208 PolarHBondContact O-N 3.39Å; T206-V208 PolarHBondContact O-N 3.37Å; V208-K210 PolarHBondContact O-N 3.33Å; V208-E211 PolarHBondContact O-N 2.9Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å; V208-L212 HydrophobicContact CG1-CG 4.22Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 VanDerWaalsContact O-CG 3.22Å; V208-L212 WeakPolarHBondContact O-CG 3.2Å; V208-L212 PolarHBondContact O-N 2.99Å |
| 209 | A | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V93 V95 V100 L102 F205 T206 K213 | V93-A209 HydrophobicContact CB-CB 4.22Å; V93-A209 HydrophobicContact CG1-CB 4.21Å; V95-A209 HydrophobicContact CG2-CB 3.92Å; V100-A209 HydrophobicContact CB-CB 4.31Å; V100-A209 HydrophobicContact CG1-CB 4.14Å; L102-A209 HydrophobicContact CD1-CB 4.34Å; L102-A209 HydrophobicContact CD2-CB 4.2Å; F205-A209 WeakPolarHBondContact O-CB 3.4Å; F205-A209 PolarHBondContact O-N 3.45Å; T206-A209 PolarHBondContact O-N 2.86Å; A209-K213 VanDerWaalsContact O-CB 3.31Å; A209-K213 WeakPolarHBondContact O-CB 3.16Å; A209-K213 PolarHBondContact O-N 2.81Å |
| 210 | K | 95.2 | Very high | 88.8 | Confident | 41 Ų | 41 | 41 Ų | 41 | 18% | 0.178 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.3 | -171.1 | 159.3 | -179.1 | 148.3 | 0 | 112.8 | V95 D96 T206 A207 V208 H214 F225 | V95-K210 HydrophobicContact CG1-CB 3.62Å; V95-K210 HydrophobicContact CG1-CD 3.77Å; V95-K210 HydrophobicContact CG1-CG 3.62Å; D96-K210 IonicContact OD1-NZ 3.15Å; D96-K210 PolarHBondContact OD1-NZ 3.42Å; D96-K210 WeakPolarHBondContact OD2-CE 3.42Å; D96-K210 IonicContact OD2-NZ 3.51Å; D96-K210 PolarHBondContact OD2-NZ 2.93Å; D96-K210 VanDerWaalsContact OD2-NZ 3.15Å; T206-K210 WeakPolarHBondContact O-CB 3.3Å; T206-K210 PolarHBondContact O-N 3.16Å; A207-K210 PolarHBondContact O-N 2.87Å; V208-K210 PolarHBondContact O-N 3.33Å; K210-H214 WeakPolarHBondContact O-CB 3.25Å; K210-H214 PolarHBondContact O-N 3.04Å; K210-F225 HydrophobicContact CB-CE1 4.02Å; K210-F225 HydrophobicContact CB-CZ 4.01Å; K210-F225 HydrophobicContact CD-CD2 4.33Å; K210-F225 HydrophobicContact CD-CE1 4.43Å; K210-F225 HydrophobicContact CD-CE2 3.61Å; K210-F225 HydrophobicContact CD-CZ 3.67Å; K210-F225 HydrophobicContact CG-CD1 4.28Å; K210-F225 HydrophobicContact CG-CD2 4.23Å; K210-F225 HydrophobicContact CG-CE1 3.89Å; K210-F225 HydrophobicContact CG-CE2 3.82Å; K210-F225 HydrophobicContact CG-CG 4.45Å; K210-F225 HydrophobicContact CG-CZ 3.63Å |
| 211 | E | 94.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 174.5 | 178.5 | 70.3 | -152.8 | 0 | 0 | 111.4 | V158 A207 V208 K213 H214 R215 F225 I227 | V158-E211 HydrophobicContact CB-CG 4.47Å; V158-E211 HydrophobicContact CG1-CG 3.99Å; V158-E211 HydrophobicContact CG2-CB 4.48Å; V158-E211 HydrophobicContact CG2-CG 3.56Å; A207-E211 PolarHBondContact O-N 3.45Å; V208-E211 PolarHBondContact O-N 2.9Å; E211-K213 PolarHBondContact O-N 3.24Å; E211-H214 PolarHBondContact O-N 3.34Å; E211-R215 WeakPolarHBondContact O-CG 3.18Å; E211-R215 PolarHBondContact O-N 3.28Å; E211-R215 IonicContact OE1-CZ 2.83Å; E211-R215 IonicContact OE1-NE 3.18Å; E211-R215 PolarHBondContact OE1-NE 3.12Å; E211-R215 IonicContact OE1-NH2 2.71Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; E211-F225 HydrophobicContact CB-CD1 3.96Å; E211-F225 HydrophobicContact CB-CE1 4.04Å; E211-F225 WeakPolarHBondContact OE2-CD1 3.45Å; E211-I227 HydrophobicContact CB-CD1 4.12Å |
| 212 | L | 93.7 | Very high | 84.6 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.7 | -45 | 179.6 | -69.6 | 168.6 | 0 | 0 | 0 | 112.2 | H51 L102 H125 A126 V158 V208 H214 R215 A216 | H51-L212 HydrophobicContact CB-CD1 3.65Å; H51-L212 HydrophobicContact CB-CG 4.48Å; L102-L212 HydrophobicContact CD2-CD1 4.19Å; H125-L212 HydrophobicContact CB-CD2 3.6Å; H125-L212 WeakPolarHBondContact O-CD2 3.42Å; A126-L212 HydrophobicContact CB-CD1 3.99Å; A126-L212 HydrophobicContact CB-CD2 4.43Å; V158-L212 HydrophobicContact CG2-CD2 3.85Å; V158-L212 HydrophobicContact CG2-CG 4.37Å; V208-L212 HydrophobicContact CG1-CD1 3.58Å; V208-L212 HydrophobicContact CG1-CG 4.22Å; V208-L212 WeakPolarHBondContact O-CB 3.47Å; V208-L212 VanDerWaalsContact O-CG 3.22Å; V208-L212 WeakPolarHBondContact O-CG 3.2Å; V208-L212 PolarHBondContact O-N 2.99Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 2.83Å; L212-R215 PolarHBondContact O-N 3.04Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.86Å |
| 213 | K | 93.2 | Very high | 82.6 | Confident | 19 Ų | 19 | 52.2 Ų | 52.2 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -47.6 | 173.4 | -177.9 | -170.6 | 70.9 | 165.2 | 0 | 111.4 | L49 V95 D96 V98 V100 A209 E211 R215 A216 I217 | L49-K213 HydrophobicContact CD1-CB 4.42Å; L49-K213 HydrophobicContact CD1-CG 3.81Å; V95-K213 PolarHBondContact O-NZ 2.9Å; D96-K213 VanDerWaalsContact CB-NZ 3.3Å; D96-K213 IonicContact OD2-NZ 3.65Å; D96-K213 PolarHBondContact OD2-NZ 3.49Å; V98-K213 HydrophobicContact CB-CD 3.8Å; V98-K213 HydrophobicContact CG1-CD 4.02Å; V98-K213 HydrophobicContact CG2-CD 4.25Å; V100-K213 HydrophobicContact CG2-CB 3.98Å; V100-K213 HydrophobicContact CG2-CD 4.33Å; V100-K213 HydrophobicContact CG2-CG 4.32Å; A209-K213 VanDerWaalsContact O-CB 3.31Å; A209-K213 WeakPolarHBondContact O-CB 3.16Å; A209-K213 PolarHBondContact O-N 2.81Å; E211-K213 PolarHBondContact O-N 3.24Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.74Å; K213-A216 PolarHBondContact O-N 2.89Å; K213-I217 HydrophobicContact CD-CD1 4.1Å; K213-I217 HydrophobicContact CG-CD1 3.52Å; K213-I217 HydrophobicContact CG-CG1 4.29Å; K213-I217 WeakPolarHBondContact O-CG1 3.25Å; K213-I217 PolarHBondContact O-N 3.29Å |
| 214 | H | 89.7 | Confident | 81.2 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 21% | 0.213 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 179.8 | -175.2 | -82.6 | 0 | 0 | 0 | 111.4 | K210 E211 L212 A216 Q218 P223 F225 | K210-H214 WeakPolarHBondContact O-CB 3.25Å; K210-H214 PolarHBondContact O-N 3.04Å; E211-H214 PolarHBondContact O-N 3.34Å; L212-H214 VanDerWaalsContact C-N 3.33Å; L212-H214 PolarHBondContact O-N 2.83Å; H214-A216 VanDerWaalsContact C-N 3.33Å; H214-A216 PolarHBondContact O-N 3.21Å; H214-Q218 PolarHBondContact O-N 3.25Å; H214-P223 PolarHBondContact CE1-O 2.94Å; H214-P223 PolarHBondContact NE2-O 3.26Å; H214-F225 HydrophobicContact CB-CB 3.75Å; H214-F225 PolarHBondContact CE1-N 2.57Å; H214-F225 VanDerWaalsContact CE1-N 3.29Å; H214-F225 VanDerWaalsContact CG-CB 3.44Å; H214-F225 PolarHBondContact ND1-N 3.05Å; H214-F225 PolarHBondContact NE2-N 2.93Å |
| 215 | R | 88.4 | Confident | 80.2 | Confident | 91 Ų | 91 | 60.7 Ų | 60.7 | 34% | 0.343 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -32.2 | 175.5 | -71 | -175.7 | -171 | -160.9 | 2.1 | 113.7 | D156 V158 E211 L212 K213 Q218 | D156-R215 PolarHBondContact O-NH1 3.12Å; V158-R215 VanDerWaalsContact CG2-CZ 3.49Å; E211-R215 WeakPolarHBondContact O-CG 3.18Å; E211-R215 PolarHBondContact O-N 3.28Å; E211-R215 IonicContact OE1-CZ 2.83Å; E211-R215 IonicContact OE1-NE 3.18Å; E211-R215 PolarHBondContact OE1-NE 3.12Å; E211-R215 IonicContact OE1-NH2 2.71Å; E211-R215 PolarHBondContact OE1-NH2 3.26Å; L212-R215 PolarHBondContact O-N 3.04Å; K213-R215 VanDerWaalsContact C-N 3.32Å; K213-R215 PolarHBondContact O-N 2.74Å; R215-Q218 WeakPolarHBondContact O-CG 2.92Å |
| 216 | A | 86.1 | Confident | 79.5 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -77.9 | -39.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L49 L212 K213 H214 Q218 | L49-A216 HydrophobicContact CD2-CB 3.82Å; L212-A216 WeakPolarHBondContact O-CB 3.4Å; L212-A216 PolarHBondContact O-N 2.86Å; K213-A216 PolarHBondContact O-N 2.89Å; H214-A216 VanDerWaalsContact C-N 3.33Å; H214-A216 PolarHBondContact O-N 3.21Å; A216-Q218 VanDerWaalsContact C-N 3.33Å; A216-Q218 PolarHBondContact O-N 3.19Å |
| 217 | I | 81.6 | Confident | 78.9 | Confident | 39 Ų | 39 | 65 Ų | 65 | 20% | 0.2 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87 | 0.3 | -172.7 | -59 | 176.7 | 0 | 0 | 0 | 112.8 | Y45 L49 K213 H219 | Y45-I217 HydrophobicContact CD1-CG2 4.35Å; Y45-I217 HydrophobicContact CE1-CG2 3.68Å; L49-I217 HydrophobicContact CD1-CD1 4.06Å; L49-I217 HydrophobicContact CD1-CG1 4.49Å; K213-I217 HydrophobicContact CD-CD1 4.1Å; K213-I217 HydrophobicContact CG-CD1 3.52Å; K213-I217 HydrophobicContact CG-CG1 4.29Å; K213-I217 WeakPolarHBondContact O-CG1 3.25Å; K213-I217 PolarHBondContact O-N 3.29Å; I217-H219 PolarHBondContact O-N 2.83Å; I217-H219 VanDerWaalsContact O-N 3.09Å |
| 218 | Q | 65.1 | Low | 78.3 | Confident | 150 Ų | 150 | 68.5 Ų | 68.5 | 70% | 0.701 | 35% | 0.347 | S | S | * | . | trans | -15.4 | 99.8 | -168.9 | -60.4 | -161.4 | -2.4 | 0 | 0 | 115.6 | H214 R215 A216 P220 | H214-Q218 PolarHBondContact O-N 3.25Å; R215-Q218 WeakPolarHBondContact O-CG 2.92Å; A216-Q218 VanDerWaalsContact C-N 3.33Å; A216-Q218 PolarHBondContact O-N 3.19Å; Q218-P220 WeakPolarHBondContact O-CD 3.25Å | ||
| 219 | H | 52.3 | Low | 77.6 | Confident | 79 Ų | 79 | 74.3 Ų | 74.3 | 37% | 0.366 | 37% | 0.374 | S | S | . | . | trans | -82.3 | 121.6 | 162.5 | -71.9 | -69 | 0 | 0 | 0 | 108.1 | Y45 I217 N221 E222 | Y45-H219 PolarHBondContact OH-NE2 3.11Å; I217-H219 PolarHBondContact O-N 2.83Å; I217-H219 VanDerWaalsContact O-N 3.09Å; H219-N221 PolarHBondContact O-N 3.36Å; H219-E222 HydrophobicContact CB-CB 4.05Å; H219-E222 HydrophobicContact CB-CG 3.84Å; H219-E222 IonicContact CD2-OE2 2.84Å; H219-E222 PolarHBondContact O-N 2.66Å; H219-E222 VanDerWaalsContact O-N 3.11Å | ||
| 220 | P | 50.7 | Low | 77 | Confident | 127 Ų | 127 | 76.5 Ų | 76.5 | 83% | 0.825 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -16.4 | -176.7 | -26.2 | 33 | 0 | 0 | 0 | 115.4 | Q218 | Q218-P220 WeakPolarHBondContact O-CD 3.25Š|
| 221 | N | 51.6 | Low | 76.6 | Confident | 162 Ų | 162 | 74.7 Ų | 74.7 | 87% | 0.866 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 4 | -174.8 | -68.7 | -24.7 | 0 | 0 | 0 | 114.2 | H219 | H219-N221 PolarHBondContact O-N 3.36Š|
| 222 | E | 56.9 | Low | 76.1 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 53% | 0.528 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -92.9 | 142 | 175.7 | -77.1 | -169.6 | 162.7 | 0 | 0 | 111.9 | H219 | H219-E222 HydrophobicContact CB-CB 4.05Å; H219-E222 HydrophobicContact CB-CG 3.84Å; H219-E222 IonicContact CD2-OE2 2.84Å; H219-E222 PolarHBondContact O-N 2.66Å; H219-E222 VanDerWaalsContact O-N 3.11Å |
| 223 | P | 56 | Low | 75.5 | Confident | 111 Ų | 111 | 81 Ų | 81 | 72% | 0.721 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -59 | 141.5 | 174.4 | 24.6 | -31.8 | 0 | 0 | 0 | 110.2 | H214 F225 | H214-P223 PolarHBondContact CE1-O 2.94Å; H214-P223 PolarHBondContact NE2-O 3.26Å; P223-F225 PolarHBondContact O-N 3.19Å |
| 224 | K | 66.6 | Low | 75 | Confident | 176 Ų | 176 | 82.6 Ų | 82.6 | 77% | 0.765 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 129.4 | 173.3 | -70.5 | -174.5 | 177.9 | -176.4 | 0 | 109.1 | Q226 | K224-Q226 PolarHBondContact O-N 2.81Š|
| 225 | F | 78.7 | Confident | 74.3 | Confident | 30 Ų | 30 | 83.4 Ų | 83.4 | 13% | 0.132 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 128.1 | 170.8 | 175 | -109.4 | 0 | 0 | 0 | 108.5 | K210 E211 H214 P223 I227 Y230 | K210-F225 HydrophobicContact CB-CE1 4.02Å; K210-F225 HydrophobicContact CB-CZ 4.01Å; K210-F225 HydrophobicContact CD-CD2 4.33Å; K210-F225 HydrophobicContact CD-CE1 4.43Å; K210-F225 HydrophobicContact CD-CE2 3.61Å; K210-F225 HydrophobicContact CD-CZ 3.67Å; K210-F225 HydrophobicContact CG-CD1 4.28Å; K210-F225 HydrophobicContact CG-CD2 4.23Å; K210-F225 HydrophobicContact CG-CE1 3.89Å; K210-F225 HydrophobicContact CG-CE2 3.82Å; K210-F225 HydrophobicContact CG-CG 4.45Å; K210-F225 HydrophobicContact CG-CZ 3.63Å; E211-F225 HydrophobicContact CB-CD1 3.96Å; E211-F225 HydrophobicContact CB-CE1 4.04Å; E211-F225 WeakPolarHBondContact OE2-CD1 3.45Å; H214-F225 HydrophobicContact CB-CB 3.75Å; H214-F225 PolarHBondContact CE1-N 2.57Å; H214-F225 VanDerWaalsContact CE1-N 3.29Å; H214-F225 VanDerWaalsContact CG-CB 3.44Å; H214-F225 PolarHBondContact ND1-N 3.05Å; H214-F225 PolarHBondContact NE2-N 2.93Å; P223-F225 PolarHBondContact O-N 3.19Å; F225-I227 HydrophobicContact CD1-CB 4.5Å; F225-I227 HydrophobicContact CE1-CB 4Å; F225-I227 HydrophobicContact CE1-CG1 4.32Å; F225-Y230 HydrophobicContact CE2-CD2 4.28Å; F225-Y230 AromaticContact CE2-CG 3.97Å; F225-Y230 HydrophobicContact CE2-CG 3.97Å; F225-Y230 VanDerWaalsContact CZ-CB 3.45Å; F225-Y230 AromaticContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD2 4.3Å; F225-Y230 AromaticContact CZ-CG 3.63Å; F225-Y230 HydrophobicContact CZ-CG 3.63Å |
| 226 | Q | 82.2 | Confident | 73.2 | Confident | 101 Ų | 101 | 86.2 Ų | 86.2 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | trans | -104.1 | 94.2 | -179.3 | -64.9 | -78.8 | 64.6 | 0 | 0 | 107.8 | K224 H228 E229 Y230 | K224-Q226 PolarHBondContact O-N 2.81Å; Q226-H228 PolarHBondContact O-N 3.41Å; Q226-H228 VanDerWaalsContact O-N 3.15Å; Q226-E229 HydrophobicContact CB-CB 4.05Å; Q226-E229 HydrophobicContact CB-CG 3.82Å; Q226-E229 PolarHBondContact O-N 3.02Å; Q226-E229 VanDerWaalsContact O-N 3.07Å; Q226-Y230 PolarHBondContact O-N 3.26Å; Q226-Y230 VanDerWaalsContact O-N 3.11Å | ||
| 227 | I | 85.6 | Confident | 72.2 | Confident | 12 Ų | 12 | 90.8 Ų | 90.8 | 6% | 0.062 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53.8 | -34.9 | -178.8 | -170.1 | 164.8 | 0 | 0 | 0 | 113 | V158 M160 P189 A207 E211 F225 Y230 I231 | V158-I227 HydrophobicContact CG1-CD1 4.46Å; M160-I227 HydrophobicContact CE-CD1 3.55Å; M160-I227 HydrophobicContact CE-CG1 4.2Å; P189-I227 HydrophobicContact CB-CG1 4.37Å; P189-I227 HydrophobicContact CB-CG2 4.06Å; P189-I227 HydrophobicContact CG-CD1 4.12Å; P189-I227 HydrophobicContact CG-CG1 4.28Å; P189-I227 HydrophobicContact CG-CG2 3.73Å; A207-I227 HydrophobicContact CB-CD1 4.2Å; A207-I227 HydrophobicContact CB-CG1 4.2Å; E211-I227 HydrophobicContact CB-CD1 4.12Å; F225-I227 HydrophobicContact CD1-CB 4.5Å; F225-I227 HydrophobicContact CE1-CB 4Å; F225-I227 HydrophobicContact CE1-CG1 4.32Å; I227-Y230 PolarHBondContact O-N 3.31Å; I227-I231 HydrophobicContact CG1-CD1 4.01Å; I227-I231 WeakPolarHBondContact O-CD1 3.42Å; I227-I231 VanDerWaalsContact O-CG1 3.25Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 3.25Å; I227-I231 VanDerWaalsContact O-N 3.07Å |
| 228 | H | 82.3 | Confident | 70.9 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 35% | 0.347 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 174.6 | -68.4 | 78.1 | 0 | 0 | 0 | 112.5 | V188 P189 Q226 Y230 I231 E232 | V188-H228 PolarHBondContact O-NE2 3.07Å; V188-H228 VanDerWaalsContact O-NE2 3.13Å; P189-H228 WeakPolarHBondContact CA-NE2 3.24Å; P189-H228 VanDerWaalsContact CD-CE1 3.5Å; P189-H228 WeakPolarHBondContact CD-CE1 3.37Å; Q226-H228 PolarHBondContact O-N 3.41Å; Q226-H228 VanDerWaalsContact O-N 3.15Å; H228-Y230 VanDerWaalsContact C-N 3.32Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-I231 PolarHBondContact O-N 3.17Å; H228-E232 WeakPolarHBondContact O-CG 3.13Å; H228-E232 PolarHBondContact O-N 3.23Å |
| 229 | E | 82.4 | Confident | 70 | Confident | 123 Ų | 123 | 88.9 Ų | 88.9 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | -179.6 | -65.2 | 174.8 | -164.8 | 0 | 0 | 111.3 | Q226 E232 S233 | Q226-E229 HydrophobicContact CB-CB 4.05Å; Q226-E229 HydrophobicContact CB-CG 3.82Å; Q226-E229 PolarHBondContact O-N 3.02Å; Q226-E229 VanDerWaalsContact O-N 3.07Å; E229-E232 PolarHBondContact O-N 2.92Å; E229-S233 WeakPolarHBondContact O-CB 3.36Å; E229-S233 PolarHBondContact O-N 2.93Å |
| 230 | Y | 85.4 | Confident | 69.4 | Low | 45 Ų | 45 | 90.3 Ų | 90.3 | 18% | 0.176 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.2 | 174.4 | -109.2 | 0 | 0 | 0 | 111.2 | L203 A207 F225 Q226 I227 H228 E232 S233 Q234 | L203-Y230 HydrophobicContact CD1-CE1 3.64Å; A207-Y230 HydrophobicContact CB-CD1 3.82Å; A207-Y230 HydrophobicContact CB-CE1 3.76Å; F225-Y230 HydrophobicContact CE2-CD2 4.28Å; F225-Y230 AromaticContact CE2-CG 3.97Å; F225-Y230 HydrophobicContact CE2-CG 3.97Å; F225-Y230 VanDerWaalsContact CZ-CB 3.45Å; F225-Y230 AromaticContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD1 3.92Å; F225-Y230 HydrophobicContact CZ-CD2 4.3Å; F225-Y230 AromaticContact CZ-CG 3.63Å; F225-Y230 HydrophobicContact CZ-CG 3.63Å; Q226-Y230 PolarHBondContact O-N 3.26Å; Q226-Y230 VanDerWaalsContact O-N 3.11Å; I227-Y230 PolarHBondContact O-N 3.31Å; H228-Y230 VanDerWaalsContact C-N 3.32Å; H228-Y230 PolarHBondContact O-N 3.43Å; Y230-E232 VanDerWaalsContact C-N 3.33Å; Y230-E232 PolarHBondContact O-N 3.4Å; Y230-S233 PolarHBondContact O-N 3.45Å; Y230-S233 PolarHBondContact O-OG 3.43Å; Y230-Q234 HydrophobicContact CD2-CG 4.45Å; Y230-Q234 HydrophobicContact CE1-CG 4.37Å; Y230-Q234 HydrophobicContact CE2-CG 4.05Å; Y230-Q234 WeakPolarHBondContact O-CG 3.27Å; Y230-Q234 PolarHBondContact O-N 3.38Å |
| 231 | I | 85.6 | Confident | 68.9 | Low | 3 Ų | 3 | 90.1 Ų | 90.1 | 2% | 0.015 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 179.5 | -67.9 | 164.6 | 0 | 0 | 0 | 111.1 | M160 P189 A207 I227 H228 Q234 K235 | M160-I231 HydrophobicContact CE-CD1 3.88Å; P189-I231 HydrophobicContact CB-CD1 3.59Å; A207-I231 HydrophobicContact CB-CG1 4.35Å; I227-I231 HydrophobicContact CG1-CD1 4.01Å; I227-I231 WeakPolarHBondContact O-CD1 3.42Å; I227-I231 VanDerWaalsContact O-CG1 3.25Å; I227-I231 WeakPolarHBondContact O-CG1 3.42Å; I227-I231 PolarHBondContact O-N 3.25Å; I227-I231 VanDerWaalsContact O-N 3.07Å; H228-I231 PolarHBondContact O-N 3.17Å; I231-Q234 PolarHBondContact O-N 3.34Å; I231-K235 WeakPolarHBondContact O-CG 3.45Å; I231-K235 PolarHBondContact O-N 2.79Å |
| 232 | E | 83.6 | Confident | 68.5 | Low | 115 Ų | 115 | 86.6 Ų | 86.6 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 177.1 | -72.9 | 178.7 | 173.8 | 0 | 0 | 111.8 | H228 E229 Y230 Q234 K235 E236 | H228-E232 WeakPolarHBondContact O-CG 3.13Å; H228-E232 PolarHBondContact O-N 3.23Å; E229-E232 PolarHBondContact O-N 2.92Å; Y230-E232 VanDerWaalsContact C-N 3.33Å; Y230-E232 PolarHBondContact O-N 3.4Å; E232-Q234 PolarHBondContact O-N 3.43Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.41Å; E232-E236 PolarHBondContact O-N 3.42Å |
| 233 | S | 80.8 | Confident | 67.6 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 27% | 0.266 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -31.8 | 177.6 | 78.7 | 0 | 0 | 0 | 0 | 113.6 | E229 Y230 K237 | E229-S233 WeakPolarHBondContact O-CB 3.36Å; E229-S233 PolarHBondContact O-N 2.93Å; Y230-S233 PolarHBondContact O-N 3.45Å; Y230-S233 PolarHBondContact O-OG 3.43Å; S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.25Å |
| 234 | Q | 83.1 | Confident | 66.7 | Low | 52 Ų | 52 | 100.4 Ų | 100.4 | 24% | 0.243 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -77.4 | -29.9 | 177.8 | -61 | -53.7 | -59.3 | 0 | 0 | 112.1 | L203 Y230 I231 E232 S238 | L203-Q234 HydrophobicContact CD1-CB 4.14Å; L203-Q234 HydrophobicContact CD1-CG 3.75Å; L203-Q234 HydrophobicContact CD2-CB 3.81Å; L203-Q234 HydrophobicContact CD2-CG 4.36Å; Y230-Q234 HydrophobicContact CD2-CG 4.45Å; Y230-Q234 HydrophobicContact CE1-CG 4.37Å; Y230-Q234 HydrophobicContact CE2-CG 4.05Å; Y230-Q234 WeakPolarHBondContact O-CG 3.27Å; Y230-Q234 PolarHBondContact O-N 3.38Å; I231-Q234 PolarHBondContact O-N 3.34Å; E232-Q234 PolarHBondContact O-N 3.43Å; Q234-S238 PolarHBondContact O-N 3.18Å; Q234-S238 PolarHBondContact O-OG 3.22Å |
| 235 | K | 74.8 | Confident | 66.7 | Low | 62 Ų | 62 | 96.7 Ų | 96.7 | 27% | 0.27 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 172.7 | -69.9 | 172.2 | -176.8 | 168.9 | 0 | 111.2 | I231 E232 S238 G239 | I231-K235 WeakPolarHBondContact O-CG 3.45Å; I231-K235 PolarHBondContact O-N 2.79Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.41Å; K235-S238 PolarHBondContact O-OG 2.93Å; K235-G239 PolarHBondContact O-N 3.22Å |
| 236 | E | 66.9 | Low | 66 | Low | 150 Ų | 150 | 100.2 Ų | 100.2 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.9 | -41.4 | 178.9 | -66.5 | -176.6 | 162.7 | 0 | 0 | 112.6 | E232 S238 G239 | E232-E236 PolarHBondContact O-N 3.42Å; E236-S238 VanDerWaalsContact C-N 3.33Å; E236-S238 PolarHBondContact O-N 3.17Å; E236-G239 PolarHBondContact O-N 3.46Å |
| 237 | K | 63.5 | Low | 65.1 | Low | 144 Ų | 144 | 100.1 Ų | 100.1 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.8 | -35.6 | 178.4 | -73.1 | 175.8 | -178.7 | 177.9 | 0 | 113.3 | S233 G239 | S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.25Å; K237-G239 VanDerWaalsContact C-N 3.33Å |
| 238 | S | 55.7 | Low | 63.9 | Low | 91 Ų | 91 | 105.3 Ų | 105.3 | 64% | 0.636 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.9 | -16.4 | 178.2 | 41.9 | 0 | 0 | 0 | 0 | 113.4 | Q234 K235 E236 | Q234-S238 PolarHBondContact O-N 3.18Å; Q234-S238 PolarHBondContact O-OG 3.22Å; K235-S238 PolarHBondContact O-OG 2.93Å; E236-S238 VanDerWaalsContact C-N 3.33Å; E236-S238 PolarHBondContact O-N 3.17Å |
| 239 | G | 44.9 | Very low | 62.8 | Low | 57 Ų | 57 | 107.2 Ų | 107.2 | 59% | 0.588 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -11.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K235 E236 K237 | K235-G239 PolarHBondContact O-N 3.22Å; E236-G239 PolarHBondContact O-N 3.46Å; K237-G239 VanDerWaalsContact C-N 3.33Å |
| 240 | C | 40.5 | Very low | 61.5 | Low | 110 Ų | 110 | 106.1 Ų | 106.1 | 74% | 0.743 | 56% | 0.56 | S | S | * | * | trans | -97.1 | 7.5 | -168.4 | -140.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 241 | C | 39.9 | Very low | 59.8 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 83% | 0.831 | 59% | 0.588 | S | S | * | * | trans | -100.6 | 70.7 | 173.5 | -77.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 242 | S | 43.2 | Very low | 57.8 | Low | 88 Ų | 88 | 118.8 Ų | 118.8 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -157.4 | 50.4 | 165.7 | 55.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 243 | Y | 38.1 | Very low | 55.6 | Low | 217 Ų | 217 | 119.1 Ų | 119.1 | 85% | 0.851 | 64% | 0.639 | S | S | * | * | trans | -157.9 | 97.8 | 155.6 | -87.7 | -72.2 | 0 | 0 | 0 | 108.7 | ||||
| 244 | F | 36.3 | Very low | 53.4 | Low | 297 Ų | 297 | 126.5 Ų | 126.5 | 100% | 1.303 | 67% | 0.673 | S | S | * | * | trans | -162.3 | 0 | 137 | -87.5 | -65.8 | 0 | 0 | 0 | 108.4 |
Retrieved 244 of 244 residues in 553.3 ms
(Link to these results)