| 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 | 42.8 | Very low | 46.2 | Very low | 243 Ų | 243 | 152.4 Ų | 152.4 | 100% | 1.197 | 81% | 0.812 | S | S | * | * | 0 | 121.3 | 0 | -84.3 | 177.8 | 172.6 | 0 | 0 | 108.6 | |||||
| 2 | R | 45.4 | Very low | 45.9 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 93% | 0.925 | 82% | 0.822 | S | S | * | * | trans | 67.3 | 139.4 | 164.9 | -74.5 | -177.7 | 158.8 | 171.2 | -5.7 | 120.5 | ||||
| 3 | P | 44.5 | Very low | 45.7 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | trans | -135.5 | -176.6 | -138.9 | 35.2 | -11.7 | 0 | 0 | 0 | 114.8 | ||||
| 4 | L | 45.9 | Very low | 45.7 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | 58.5 | 113.5 | 148.7 | -102.2 | 83.2 | 0 | 0 | 0 | 119.7 | V6 | L4-V6 HydrophobicContact CD2-CG2 4.04Å; L4-V6 HydrophobicContact CG-CG2 4.19Å | ||
| 5 | L | 47.3 | Very low | 45.4 | Very low | 165 Ų | 165 | 142 Ų | 142 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -128.3 | 100.1 | 142.2 | -159.6 | 79.8 | 0 | 0 | 0 | 108.4 | ||||
| 6 | V | 47 | Very low | 45.6 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 67% | 0.667 | 81% | 0.814 | S | S | * | * | trans | -92.4 | 115.7 | 169.7 | 171.7 | 0 | 0 | 0 | 0 | 106.4 | L4 | L4-V6 HydrophobicContact CD2-CG2 4.04Å; L4-V6 HydrophobicContact CG-CG2 4.19Å | ||
| 7 | L | 52.1 | Low | 45.9 | Very low | 140 Ų | 140 | 138 Ų | 138 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -103.8 | 105.4 | 170.9 | -152.8 | 81.1 | 0 | 0 | 0 | 108.3 | L9 | L7-L9 HydrophobicContact CD2-CD1 3.63Å; L7-L9 HydrophobicContact CG-CD1 4.09Å | ||
| 8 | L | 41.9 | Very low | 46.1 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 74% | 0.738 | 81% | 0.805 | S | S | * | * | trans | -85.7 | 113.4 | 175.6 | -162.9 | 87.4 | 0 | 0 | 0 | 108.1 | L10 | L8-L10 HydrophobicContact CD1-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å | ||
| 9 | L | 48.4 | Very low | 46.2 | Very low | 149 Ų | 149 | 137.1 Ų | 137.1 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | trans | -125.2 | 92.3 | 166.6 | -92.2 | 122.8 | 0 | 0 | 0 | 108.6 | L7 G11 | L7-L9 HydrophobicContact CD2-CD1 3.63Å; L7-L9 HydrophobicContact CG-CD1 4.09Å; L9-G11 PolarHBondContact O-N 3.05Å | ||
| 10 | L | 45.3 | Very low | 46.3 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | trans | -84.3 | 100 | 160.1 | -94 | 89.8 | 0 | 0 | 0 | 107.9 | L8 | L8-L10 HydrophobicContact CD1-CD1 4.29Å; L8-L10 HydrophobicContact CD2-CD1 4.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å | ||
| 11 | G | 47.2 | Very low | 46.1 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 123.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | L9 A13 | L9-G11 PolarHBondContact O-N 3.05Å; G11-A13 PolarHBondContact O-N 3.46Å | ||
| 12 | L | 42.8 | Very low | 46.2 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 94% | 0.937 | 76% | 0.764 | S | S | * | * | trans | -56.3 | 109.4 | 175.7 | -71.6 | 135.7 | 0 | 0 | 0 | 111.3 | A14 | L12-A14 PolarHBondContact O-N 3.09Š| ||
| 13 | A | 43.2 | Very low | 45.9 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | -84.2 | 100 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | G11 G15 | G11-A13 PolarHBondContact O-N 3.46Å; A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.04Å | ||
| 14 | A | 46.7 | Very low | 46.1 | Very low | 106 Ų | 106 | 128 Ų | 128 | 88% | 0.876 | 75% | 0.753 | S | S | * | * | trans | -68.7 | 90.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | L12 | L12-A14 PolarHBondContact O-N 3.09Š| ||
| 15 | G | 41.1 | Very low | 45.9 | Very low | 68 Ų | 68 | 126.1 Ų | 126.1 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 120.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | A13 | A13-G15 VanDerWaalsContact C-N 3.3Å; A13-G15 PolarHBondContact O-N 3.04Å |
| 16 | S | 48.6 | Very low | 46 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 136.4 | 162.7 | 43.2 | 0 | 0 | 0 | 0 | 108.7 | ||
| 17 | P | 50.7 | Low | 45.9 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 144.9 | 173.9 | 27.4 | -32.3 | 0 | 0 | 0 | 108.6 | L19 | P17-L19 PolarHBondContact O-N 3.02Š|
| 18 | P | 48.9 | Very low | 45.7 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128.2 | 170.6 | 26 | -31.1 | 0 | 0 | 0 | 107.6 | D20 | P18-D20 PolarHBondContact O-N 2.76Š|
| 19 | L | 48 | Very low | 46.1 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -58.4 | 108.1 | 165.9 | -92.4 | 152.6 | 0 | 0 | 0 | 106.9 | P17 D21 | P17-L19 PolarHBondContact O-N 3.02Å; L19-D21 PolarHBondContact O-N 3.35Å | ||
| 20 | D | 47.8 | Very low | 46.1 | Very low | 145 Ų | 145 | 116.6 Ų | 116.6 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | trans | -69.7 | 65.1 | 170.2 | -111.7 | -23.2 | 0 | 0 | 0 | 109 | P18 N22 | P18-D20 PolarHBondContact O-N 2.76Å; D20-N22 PolarHBondContact O-N 2.94Å | ||
| 21 | D | 43.6 | Very low | 46.4 | Very low | 101 Ų | 101 | 117.9 Ų | 117.9 | 54% | 0.54 | 73% | 0.73 | S | S | . | * | trans | -81.6 | 29.8 | -177.7 | -77.8 | -17.6 | 0 | 0 | 0 | 112.7 | L19 K23 | L19-D21 PolarHBondContact O-N 3.35Å; D21-K23 PolarHBondContact O-N 3.42Å | ||
| 22 | N | 43.6 | Very low | 46.7 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 68% | 0.684 | 73% | 0.727 | S | S | * | * | trans | -87.7 | 20.1 | 171.3 | -85.5 | -33.4 | 0 | 0 | 0 | 114.1 | D20 R103 | D20-N22 PolarHBondContact O-N 2.94Å; N22-R103 PolarHBondContact OD1-NH1 2.64Å; N22-R103 VanDerWaalsContact OD1-NH1 3.11Å | ||
| 23 | K | 40.3 | Very low | 47.2 | Very low | 194 Ų | 194 | 113 Ų | 113 | 84% | 0.843 | 70% | 0.703 | S | S | * | * | trans | -120 | 51.4 | 174.8 | -135.7 | 178.1 | -170.4 | 179.8 | 0 | 112.4 | D21 P25 | D21-K23 PolarHBondContact O-N 3.42Å; K23-P25 WeakPolarHBondContact O-CD 3.36Å | ||
| 24 | I | 47.1 | Very low | 47.9 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 58% | 0.579 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 119.2 | 150.7 | -57.8 | 175.4 | 0 | 0 | 0 | 105.3 | S26 | I24-S26 PolarHBondContact O-N 2.92Š| ||
| 25 | P | 42.3 | Very low | 48.4 | Very low | 108 Ų | 108 | 116.4 Ų | 116.4 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | trans | -56.5 | 116.5 | 175.8 | -18.3 | 30.6 | 0 | 0 | 0 | 107.5 | K23 L27 | K23-P25 WeakPolarHBondContact O-CD 3.36Å; P25-L27 PolarHBondContact O-N 2.94Å | ||
| 26 | S | 49.5 | Very low | 49.1 | Very low | 94 Ų | 94 | 115.6 Ų | 115.6 | 66% | 0.657 | 69% | 0.689 | S | S | * | * | trans | -50.2 | 110.8 | 178.5 | 38.1 | 0 | 0 | 0 | 0 | 109.7 | I24 C28 | I24-S26 PolarHBondContact O-N 2.92Å; S26-C28 PolarHBondContact O-N 2.93Å | ||
| 27 | L | 44 | Very low | 49.7 | Very low | 163 Ų | 163 | 116.8 Ų | 116.8 | 85% | 0.853 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -71.9 | 23.2 | 179.5 | -99.1 | 149.2 | 0 | 0 | 0 | 113.5 | P25 | P25-L27 PolarHBondContact O-N 2.94Š|
| 28 | C | 49.4 | Very low | 50.2 | Low | 81 Ų | 81 | 117.5 Ų | 117.5 | 55% | 0.547 | 70% | 0.697 | S | S | . | * | trans | -143.2 | 94.7 | -176 | -67.7 | 0 | 0 | 0 | 0 | 110.4 | S26 G30 | S26-C28 PolarHBondContact O-N 2.93Å; C28-G30 PolarHBondContact O-N 3.09Å | ||
| 29 | P | 48.9 | Very low | 50.5 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | trans | -61.6 | 106 | 151.2 | -7.3 | 23.2 | 0 | 0 | 0 | 105.9 | H31 | P29-H31 PolarHBondContact O-N 3.39Š| ||
| 30 | G | 49.6 | Very low | 51 | Low | 45 Ų | 45 | 117.4 Ų | 117.4 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 130.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | C28 | C28-G30 PolarHBondContact O-N 3.09Š|
| 31 | H | 52 | Low | 51.6 | Low | 182 Ų | 182 | 117.9 Ų | 117.9 | 84% | 0.843 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 135.4 | 175.4 | -69.7 | 79.2 | 0 | 0 | 0 | 107.9 | P29 G33 | P29-H31 PolarHBondContact O-N 3.39Å; H31-G33 PolarHBondContact O-N 3.23Å |
| 32 | P | 52.1 | Low | 52.2 | Low | 104 Ų | 104 | 116.7 Ų | 116.7 | 68% | 0.675 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 136.6 | 171.8 | -26.1 | 34 | 0 | 0 | 0 | 109.7 | T92 | P32-T92 HydrophobicContact CB-CG2 4.01Š|
| 33 | G | 54.3 | Low | 53.1 | Low | 42 Ų | 42 | 116.3 Ų | 116.3 | 43% | 0.433 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -54.2 | 153.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | H31 | H31-G33 PolarHBondContact O-N 3.23Š|
| 34 | L | 58 | Low | 54 | Low | 169 Ų | 169 | 114.9 Ų | 114.9 | 89% | 0.885 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 136.2 | 176.3 | -70 | 168.2 | 0 | 0 | 0 | 109.8 | G36 | L34-G36 PolarHBondContact O-N 3.13Š|
| 35 | P | 57.5 | Low | 54.6 | Low | 111 Ų | 111 | 112.5 Ų | 112.5 | 72% | 0.721 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 139.7 | 173.4 | -25.1 | 33.5 | 0 | 0 | 0 | 110.8 | ||
| 36 | G | 55.1 | Low | 55.7 | Low | 50 Ų | 50 | 115.4 Ų | 115.4 | 52% | 0.515 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 149.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L34 | L34-G36 PolarHBondContact O-N 3.13Š|
| 37 | T | 60.5 | Low | 56.6 | Low | 133 Ų | 133 | 116 Ų | 116 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 144 | 175.5 | 51.1 | 0 | 0 | 0 | 0 | 110.6 | G39 | T37-G39 PolarHBondContact O-N 3.06Š|
| 38 | P | 61 | Low | 57.5 | Low | 124 Ų | 124 | 111.6 Ų | 111.6 | 81% | 0.805 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 141.5 | 175.4 | -25.5 | 34 | 0 | 0 | 0 | 111.8 | ||
| 39 | G | 56.2 | Low | 58.5 | Low | 59 Ų | 59 | 119.7 Ų | 119.7 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 156.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T37 | T37-G39 PolarHBondContact O-N 3.06Š|
| 40 | H | 58.6 | Low | 59.6 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 91% | 0.907 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 145.5 | 176 | -71 | -76.2 | 0 | 0 | 0 | 111.8 | ||
| 41 | H | 60.2 | Low | 60.4 | Low | 156 Ų | 156 | 122.6 Ų | 122.6 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 139.3 | 175.6 | -59.2 | -43.7 | 0 | 0 | 0 | 111.2 | R83 | H41-R83 PolarHBondContact CE1-NH2 2.89Š|
| 42 | G | 55.4 | Low | 61.3 | Low | 75 Ų | 75 | 125.9 Ų | 125.9 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 151.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 43 | S | 62.8 | Low | 62.3 | Low | 121 Ų | 121 | 128.6 Ų | 128.6 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 148.8 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 111.8 | G45 | S43-G45 PolarHBondContact O-N 2.88Š|
| 44 | Q | 59.1 | Low | 62.9 | Low | 164 Ų | 164 | 129.9 Ų | 129.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 135.8 | 173.3 | -171.8 | 176.1 | 5.1 | 0 | 0 | 110.8 | ||
| 45 | G | 59.5 | Low | 63.7 | Low | 62 Ų | 62 | 133.9 Ų | 133.9 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 153.9 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | S43 | S43-G45 PolarHBondContact O-N 2.88Š|
| 46 | L | 66.7 | Low | 64.5 | Low | 170 Ų | 170 | 136.3 Ų | 136.3 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145.4 | 176.3 | -68.4 | 169.1 | 0 | 0 | 0 | 110.9 | ||
| 47 | P | 67.3 | Low | 65.1 | Low | 106 Ų | 106 | 137.4 Ų | 137.4 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 146.5 | 172.4 | -24 | 33.7 | 0 | 0 | 0 | 112.3 | ||
| 48 | G | 63.1 | Low | 65.6 | Low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 152.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 49 | R | 70.1 | Confident | 65.9 | Low | 250 Ų | 250 | 136.1 Ų | 136.1 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 142.3 | 172.6 | -79.5 | -178.2 | 161.4 | 178.3 | -5.4 | 110.4 | ||
| 50 | D | 73.6 | Confident | 66 | Low | 159 Ų | 159 | 136.8 Ų | 136.8 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 147.1 | 171.9 | -60.4 | -33.2 | 0 | 0 | 0 | 111.1 | ||
| 51 | G | 65 | Low | 66.2 | Low | 70 Ų | 70 | 132.1 Ų | 132.1 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 52 | R | 70.6 | Confident | 66.3 | Low | 252 Ų | 252 | 131.3 Ų | 131.3 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.8 | 172.3 | -71 | -179.1 | 177.3 | 172.7 | -1.6 | 109.7 | ||
| 53 | D | 73.1 | Confident | 66.5 | Low | 161 Ų | 161 | 131.3 Ų | 131.3 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -56 | 144 | 171.7 | -61.8 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 54 | G | 68.4 | Low | 66.2 | Low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 55 | R | 74.2 | Confident | 65.4 | Low | 253 Ų | 253 | 136.8 Ų | 136.8 | 96% | 0.955 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.7 | 173 | -69.4 | -179 | -178.4 | 173.9 | -0.2 | 109.6 | ||
| 56 | D | 73.4 | Confident | 65.4 | Low | 162 Ų | 162 | 137.1 Ų | 137.1 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 137.6 | 171.2 | -64.3 | -31.5 | 0 | 0 | 0 | 110.8 | ||
| 57 | G | 67.9 | Low | 65.2 | Low | 72 Ų | 72 | 137.9 Ų | 137.9 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 144.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 58 | A | 70.9 | Confident | 65.1 | Low | 95 Ų | 95 | 136.4 Ų | 136.4 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -61 | 142 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G60 | A58-G60 PolarHBondContact O-N 2.81Š|
| 59 | P | 67.7 | Low | 65.4 | Low | 136 Ų | 136 | 136.6 Ų | 136.6 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 126.4 | 179.8 | -22.2 | 32.5 | 0 | 0 | 0 | 112.5 | ||
| 60 | G | 59.6 | Low | 65.4 | Low | 72 Ų | 72 | 135.9 Ų | 135.9 | 74% | 0.742 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 151.6 | 166 | 0 | 0 | 0 | 0 | 0 | 111.8 | A58 | A58-G60 PolarHBondContact O-N 2.81Š|
| 61 | A | 61.6 | Low | 65.4 | Low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 151.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G63 | A61-G63 PolarHBondContact O-N 3.33Š|
| 62 | P | 63.4 | Low | 65.7 | Low | 140 Ų | 140 | 134.3 Ų | 134.3 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66 | 124.8 | -160.5 | -20.3 | 32.6 | 0 | 0 | 0 | 114.4 | ||
| 63 | G | 58.1 | Low | 65.9 | Low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | -121.2 | 149.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A61 K65 | A61-G63 PolarHBondContact O-N 3.33Å; G63-K65 PolarHBondContact O-N 2.75Å | ||
| 64 | E | 56.2 | Low | 65.9 | Low | 203 Ų | 203 | 128.3 Ų | 128.3 | 95% | 0.949 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -71.2 | 126.2 | 179.4 | -75 | -161.7 | 131.7 | 0 | 0 | 112.7 | ||
| 65 | K | 43.4 | Very low | 66.1 | Low | 198 Ų | 198 | 128.1 Ų | 128.1 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | 61.7 | 111.9 | 158.9 | -155 | 174.7 | -167.6 | 177.9 | 0 | 120.1 | G63 | G63-K65 PolarHBondContact O-N 2.75Š| ||
| 66 | G | 60.3 | Low | 66.2 | Low | 69 Ų | 69 | 122.2 Ų | 122.2 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | -142.6 | 140.5 | 128.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | G68 | G66-G68 PolarHBondContact O-N 2.54Š| |||
| 67 | E | 61.5 | Low | 66.1 | Low | 185 Ų | 185 | 124.8 Ų | 124.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 124.8 | 165.4 | -77.2 | -178.2 | 163.1 | 0 | 0 | 107.8 | G69 | E67-G69 PolarHBondContact O-N 3.2Š|
| 68 | G | 66 | Low | 66 | Low | 75 Ų | 75 | 124.2 Ų | 124.2 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 126.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | G66 R70 | G66-G68 PolarHBondContact O-N 2.54Å; G68-R70 PolarHBondContact O-N 2.95Å |
| 69 | G | 68.4 | Low | 66.1 | Low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 139.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | E67 | E67-G69 PolarHBondContact O-N 3.2Š|
| 70 | R | 71.5 | Confident | 66.2 | Low | 234 Ų | 234 | 125.8 Ų | 125.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 144.7 | 173.3 | -68.1 | -178.3 | 176.6 | -171 | -1.6 | 109.3 | G68 G72 | G68-R70 PolarHBondContact O-N 2.95Å; R70-G72 PolarHBondContact O-N 2.83Å |
| 71 | P | 72 | Confident | 66.5 | Low | 123 Ų | 123 | 125.4 Ų | 125.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 141.4 | 170.7 | -26.3 | 34.2 | 0 | 0 | 0 | 110.8 | ||
| 72 | G | 71.6 | Confident | 67.1 | Low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 146.6 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | R70 | R70-G72 PolarHBondContact O-N 2.83Š|
| 73 | L | 75.2 | Confident | 67.2 | Low | 167 Ų | 167 | 130.3 Ų | 130.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.1 | 172.2 | -67.6 | 169.8 | 0 | 0 | 0 | 109.5 | G75 | L73-G75 PolarHBondContact O-N 2.85Š|
| 74 | P | 73.2 | Confident | 67.5 | Low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 141 | 170.5 | -26 | 34.3 | 0 | 0 | 0 | 110.8 | ||
| 75 | G | 71.4 | Confident | 68.3 | Low | 65 Ų | 65 | 129.4 Ų | 129.4 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -58 | 153.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L73 | L73-G75 PolarHBondContact O-N 2.85Š|
| 76 | P | 76.5 | Confident | 69.5 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 147.1 | 176.7 | 26.3 | -34.1 | 0 | 0 | 0 | 110.7 | G78 | P76-G78 PolarHBondContact O-N 2.87Š|
| 77 | R | 71 | Confident | 69.8 | Low | 215 Ų | 215 | 124.1 Ų | 124.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131 | 171.5 | -178.2 | 179.7 | 178 | 172.1 | 1.7 | 108.9 | ||
| 78 | G | 66.8 | Low | 70.4 | Confident | 61 Ų | 61 | 121.5 Ų | 121.5 | 63% | 0.629 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -59 | 144.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P76 | P76-G78 PolarHBondContact O-N 2.87Š|
| 79 | D | 72.7 | Confident | 70.6 | Confident | 153 Ų | 153 | 122.3 Ų | 122.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 150.3 | 178.3 | -68.1 | -43 | 0 | 0 | 0 | 111.6 | G81 | D79-G81 PolarHBondContact O-N 2.85Š|
| 80 | P | 70.5 | Confident | 70.6 | Confident | 111 Ų | 111 | 120.6 Ų | 120.6 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.3 | 170.9 | -23.5 | 33.6 | 0 | 0 | 0 | 111 | ||
| 81 | G | 66.2 | Low | 70.9 | Confident | 63 Ų | 63 | 115.5 Ų | 115.5 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -58 | 154.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D79 | D79-G81 PolarHBondContact O-N 2.85Š|
| 82 | P | 72.8 | Confident | 70.8 | Confident | 131 Ų | 131 | 114.8 Ų | 114.8 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 150.3 | 179.7 | 25.8 | -34.3 | 0 | 0 | 0 | 111.3 | G84 | P82-G84 PolarHBondContact O-N 3.08Š|
| 83 | R | 65.3 | Low | 70.5 | Confident | 210 Ų | 210 | 113 Ų | 113 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 131 | 172.6 | -174.3 | -179.4 | -176.4 | 175.3 | 4 | 109 | H41 | H41-R83 PolarHBondContact CE1-NH2 2.89Š|
| 84 | G | 65.4 | Low | 70 | Confident | 64 Ų | 64 | 111 Ų | 111 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 145.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P82 | P82-G84 PolarHBondContact O-N 3.08Š|
| 85 | E | 72 | Confident | 69.4 | Low | 194 Ų | 194 | 109.7 Ų | 109.7 | 91% | 0.907 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61 | 148.3 | 177.2 | -64.8 | -175.1 | 164.5 | 0 | 0 | 111.2 | G87 | E85-G87 PolarHBondContact O-N 2.9Š|
| 86 | A | 68.5 | Low | 68.6 | Low | 99 Ų | 99 | 109 Ų | 109 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 136 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 87 | G | 66.7 | Low | 67.6 | Low | 58 Ų | 58 | 112 Ų | 112 | 60% | 0.598 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 155.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E85 | E85-G87 PolarHBondContact O-N 2.9Š|
| 88 | P | 75 | Confident | 66.7 | Low | 129 Ų | 129 | 105 Ų | 105 | 84% | 0.838 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 150.7 | 177.3 | 26.9 | -34.4 | 0 | 0 | 0 | 110.7 | G90 | P88-G90 PolarHBondContact O-N 3Š|
| 89 | A | 69.5 | Low | 66.3 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55 | 137.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 90 | G | 69.4 | Low | 66 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -59 | 156.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | P88 | P88-G90 PolarHBondContact O-N 3Š|
| 91 | P | 76.7 | Confident | 66.1 | Low | 127 Ų | 127 | 103.9 Ų | 103.9 | 83% | 0.825 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144.9 | 176.5 | 26.9 | -34.4 | 0 | 0 | 0 | 110.3 | G93 | P91-G93 PolarHBondContact O-N 3.32Š|
| 92 | T | 70.8 | Confident | 66.9 | Low | 108 Ų | 108 | 102.4 Ų | 102.4 | 66% | 0.663 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 131.7 | 169.4 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | P32 | P32-T92 HydrophobicContact CB-CG2 4.01Š|
| 93 | G | 65.2 | Low | 67.8 | Low | 36 Ų | 36 | 101 Ų | 101 | 37% | 0.371 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -56 | 158.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P91 | P91-G93 PolarHBondContact O-N 3.32Š|
| 94 | P | 64.1 | Low | 69.4 | Low | 126 Ų | 126 | 91.2 Ų | 91.2 | 82% | 0.818 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 146.1 | 175.1 | 25.2 | -33.5 | 0 | 0 | 0 | 110 | G96 | P94-G96 PolarHBondContact O-N 2.9Š|
| 95 | A | 60.6 | Low | 70.9 | Confident | 92 Ų | 92 | 90 Ų | 90 | 76% | 0.76 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -54 | 129.4 | 172 | 0 | 0 | 0 | 0 | 0 | 108.5 | E97 | A95-E97 PolarHBondContact O-N 2.99Š|
| 96 | G | 55.7 | Low | 72.2 | Confident | 51 Ų | 51 | 81 Ų | 81 | 53% | 0.526 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -56.2 | 124.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | P94 C98 | P94-G96 PolarHBondContact O-N 2.9Å; G96-C98 PolarHBondContact O-N 2.99Å |
| 97 | E | 55.7 | Low | 73.7 | Confident | 193 Ų | 193 | 77.2 Ų | 77.2 | 90% | 0.902 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 119.7 | 172.8 | -76.6 | 176.6 | 175.3 | 0 | 0 | 107.9 | A95 S99 | A95-E97 PolarHBondContact O-N 2.99Å; E97-S99 PolarHBondContact O-N 2.76Å |
| 98 | C | 51.8 | Low | 75.2 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | trans | -64.1 | 104.2 | 170.8 | -71.3 | 0 | 0 | 0 | 0 | 107.4 | G96 V100 | G96-C98 PolarHBondContact O-N 2.99Å; C98-V100 VanDerWaalsContact C-N 3.31Å; C98-V100 PolarHBondContact O-N 2.89Å | ||
| 99 | S | 58.4 | Low | 76.3 | Confident | 108 Ų | 108 | 69.9 Ų | 69.9 | 76% | 0.755 | 46% | 0.462 | S | S | * | . | trans | -64.8 | 97 | 168.3 | 57.9 | 0 | 0 | 0 | 0 | 107.4 | E97 P101 | E97-S99 PolarHBondContact O-N 2.76Å; S99-P101 VanDerWaalsContact O-CD 3.3Å; S99-P101 WeakPolarHBondContact O-CD 3.42Å; S99-P101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | V | 65.6 | Low | 77.6 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 119.4 | 167.8 | 179.7 | 0 | 0 | 0 | 0 | 105.6 | C98 | C98-V100 VanDerWaalsContact C-N 3.31Å; C98-V100 PolarHBondContact O-N 2.89Å |
| 101 | P | 71.9 | Confident | 78.8 | Confident | 98 Ų | 98 | 66.7 Ų | 66.7 | 64% | 0.636 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 136 | 177.9 | -23.7 | 32.6 | 0 | 0 | 0 | 108.5 | S99 R103 | S99-P101 VanDerWaalsContact O-CD 3.3Å; S99-P101 WeakPolarHBondContact O-CD 3.42Å; S99-P101 VanDerWaalsContact O-N 3.16Å; P101-R103 PolarHBondContact O-N 2.85Å |
| 102 | P | 84.6 | Confident | 79.6 | Confident | 32 Ų | 32 | 66 Ų | 66 | 21% | 0.208 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 136.8 | 179.5 | 27 | -35.4 | 0 | 0 | 0 | 109 | V147 L231 W236 | P102-V147 HydrophobicContact CB-CB 4.4Å; P102-V147 HydrophobicContact CB-CG1 3.61Å; P102-V147 HydrophobicContact CB-CG2 3.89Å; P102-V147 HydrophobicContact CG-CG1 3.53Å; P102-L231 HydrophobicContact CG-CD2 4.2Å; P102-L231 WeakPolarHBondContact O-CD2 3.43Å; P102-W236 HydrophobicContact CB-CE3 4.32Å; P102-W236 HydrophobicContact CB-CZ3 4.01Å; P102-W236 HydrophobicContact CG-CE3 4.04Å; P102-W236 HydrophobicContact CG-CZ3 4.24Å |
| 103 | R | 92 | Very high | 80.5 | Confident | 101 Ų | 101 | 63.2 Ų | 63.2 | 38% | 0.381 | 39% | 0.394 | S | S | . | . | trans | -104.4 | 139.1 | 179.5 | -61.5 | 179.7 | -173 | 158.3 | 3.3 | 108.7 | N22 P101 Q133 | N22-R103 PolarHBondContact OD1-NH1 2.64Å; N22-R103 VanDerWaalsContact OD1-NH1 3.11Å; P101-R103 PolarHBondContact O-N 2.85Å; R103-Q133 WeakPolarHBondContact O-CG 3.21Å | ||
| 104 | S | 97.2 | Very high | 81.4 | Confident | 4 Ų | 4 | 72.3 Ų | 72.3 | 3% | 0.028 | 42% | 0.417 | C | S | . | . | trans | -156 | 108.3 | 168.9 | 175.2 | 0 | 0 | 0 | 0 | 108 | H135 F143 F230 L231 | S104-H135 WeakPolarHBondContact CB-ND1 3.26Å; S104-H135 PolarHBondContact OG-ND1 2.87Å; S104-F143 WeakPolarHBondContact OG-CE2 3.34Å; S104-F143 WeakPolarHBondContact OG-CZ 3.41Å; S104-F230 CarbonylContact O-C 3.56Å; S104-F230 VanDerWaalsContact O-CA 3.27Å; S104-F230 WeakPolarHBondContact O-CA 3.39Å; S104-L231 PolarHBondContact O-N 3.46Å | ||
| 105 | A | 98.4 | Very high | 82.5 | Confident | 38 Ų | 38 | 71.5 Ų | 71.5 | 31% | 0.314 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 147.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q133 G229 F230 | A105-Q133 PolarHBondContact O-OE1 2.9Å; A105-G229 CarbonylContact C-O 3.52Å; A105-G229 VanDerWaalsContact CA-O 3.31Å; A105-G229 WeakPolarHBondContact CA-O 3.48Å; A105-F230 HydrophobicContact CB-CB 3.73Å |
| 106 | F | 98.8 | Very high | 83.7 | Confident | 5 Ų | 5 | 71.2 Ų | 71.2 | 2% | 0.022 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.6 | 169.1 | 75.4 | -79.1 | 0 | 0 | 0 | 110.8 | V130 N131 Y136 F143 F153 F227 S228 G229 | F106-V130 CarbonylContact C-O 3.51Å; F106-V130 VanDerWaalsContact CA-O 3.23Å; F106-V130 WeakPolarHBondContact CA-O 3.41Å; F106-N131 HydrophobicContact CB-CB 4.41Å; F106-Y136 HydrophobicContact CB-CG 4.35Å; F106-Y136 AromaticContact CD2-CD1 3.91Å; F106-Y136 HydrophobicContact CD2-CD1 3.91Å; F106-Y136 AromaticContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CE2 4.26Å; F106-Y136 AromaticContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CE2-CD1 4.45Å; F106-Y136 AromaticContact CE2-CD2 3.39Å; F106-Y136 HydrophobicContact CE2-CD2 3.39Å; F106-Y136 AromaticContact CE2-CE2 3.84Å; F106-Y136 HydrophobicContact CE2-CE2 3.84Å; F106-Y136 AromaticContact CE2-CG 3.76Å; F106-Y136 HydrophobicContact CE2-CG 3.76Å; F106-Y136 VanDerWaalsContact CG-CB 3.44Å; F106-Y136 HydrophobicContact CG-CD2 4.25Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.94Å; F106-Y136 HydrophobicContact CZ-CD2 3.94Å; F106-F143 HydrophobicContact CD1-CB 4.46Å; F106-F143 AromaticContact CD1-CD2 3.42Å; F106-F143 HydrophobicContact CD1-CD2 3.42Å; F106-F143 VanDerWaalsContact CD1-CD2 3.42Å; F106-F143 AromaticContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CG 4.22Å; F106-F143 HydrophobicContact CE1-CB 3.72Å; F106-F143 AromaticContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CE2 4.18Å; F106-F143 AromaticContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CG-CD2 4.48Å; F106-F143 HydrophobicContact CZ-CB 4Å; F106-F143 HydrophobicContact CZ-CD2 4.41Å; F106-F143 HydrophobicContact CZ-CG 4.47Å; F106-F153 HydrophobicContact CE1-CD1 4.24Å; F106-F153 AromaticContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CZ-CD1 4.25Å; F106-F153 HydrophobicContact CZ-CE1 4.13Å; F106-F227 AromaticContact CE2-CD1 3.67Å; F106-F227 HydrophobicContact CE2-CD1 3.67Å; F106-F227 AromaticContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CG 4.11Å; F106-F227 HydrophobicContact CE2-CZ 4.32Å; F106-F227 AromaticContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD2 4.47Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.16Å; F106-F227 HydrophobicContact CZ-CG 4.37Å; F106-F227 AromaticContact CZ-CZ 3.7Å; F106-F227 HydrophobicContact CZ-CZ 3.7Å; F106-S228 WeakPolarHBondContact O-CA 3.5Å; F106-G229 WeakPolarHBondContact CD1-O 3.22Å; F106-G229 PolarHBondContact N-O 3.35Å; F106-G229 PolarHBondContact O-N 3.38Å |
| 107 | S | 98.8 | Very high | 85 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 15% | 0.147 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 134.5 | 164.2 | -170.4 | 0 | 0 | 0 | 0 | 108.9 | L129 V130 F227 S228 | S107-L129 WeakPolarHBondContact O-CA 3.47Å; S107-L129 WeakPolarHBondContact O-CB 3.41Å; S107-L129 PolarHBondContact O-N 2.84Å; S107-V130 PolarHBondContact N-O 2.94Å; S107-V130 PolarHBondContact O-N 2.85Å; S107-V130 VanDerWaalsContact O-N 3.12Å; S107-F227 WeakPolarHBondContact CA-O 3.44Å; S107-S228 WeakPolarHBondContact CB-OG 3.45Å; S107-S228 PolarHBondContact OG-OG 3.39Å |
| 108 | A | 98.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F125 R127 Y136 T226 F227 | A108-F125 HydrophobicContact CB-CB 3.71Å; A108-F125 WeakPolarHBondContact CB-O 3.35Å; A108-R127 CarbonylContact C-O 3.52Å; A108-R127 WeakPolarHBondContact CA-O 3.43Å; A108-Y136 HydrophobicContact CB-CD1 4.19Å; A108-Y136 HydrophobicContact CB-CE1 3.55Å; A108-T226 CarbonylContact O-C 3.6Å; A108-T226 VanDerWaalsContact O-CA 3.28Å; A108-T226 WeakPolarHBondContact O-CA 3.33Å; A108-F227 PolarHBondContact N-O 3.46Å; A108-F227 PolarHBondContact O-N 3.47Å |
| 109 | K | 98.3 | Very high | 87.7 | Confident | 32 Ų | 32 | 63 Ų | 63 | 14% | 0.139 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 160.2 | 178.4 | 69.9 | -177.5 | -168.1 | 158.2 | 0 | 112.5 | F125 D126 R127 L129 D224 S225 T226 | K109-F125 CarbonylContact O-C 3.59Å; K109-D126 PolarHBondContact O-N 2.72Å; K109-R127 HydrophobicContact CG-CB 3.68Å; K109-R127 PolarHBondContact N-O 2.76Å; K109-R127 WeakPolarHBondContact O-CB 3.37Å; K109-R127 PolarHBondContact O-N 2.89Å; K109-L129 HydrophobicContact CD-CD2 3.98Å; K109-L129 HydrophobicContact CG-CD2 4.37Å; K109-D224 HydrophobicContact CD-CB 4.47Å; K109-D224 WeakPolarHBondContact CD-OD1 3.39Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.81Å; K109-D224 PolarHBondContact NZ-OD1 3.23Å; K109-D224 IonicContact NZ-OD2 2.74Å; K109-S225 CarbonylContact C-O 3.52Å; K109-S225 VanDerWaalsContact CA-O 3.23Å; K109-S225 WeakPolarHBondContact CA-O 3.5Å; K109-S225 WeakPolarHBondContact CB-O 3.48Å; K109-T226 HydrophobicContact CB-CG2 4Å |
| 110 | R | 96.2 | Very high | 88.9 | Confident | 29 Ų | 29 | 63.7 Ų | 63.7 | 11% | 0.109 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 140.7 | 176.3 | -67.8 | -72.8 | -74.2 | 138.6 | 2.2 | 111.4 | P124 F125 D126 A219 S225 | R110-P124 WeakPolarHBondContact CD-O 3.17Å; R110-P124 PolarHBondContact NH1-O 2.85Å; R110-F125 HydrophobicContact CG-CD1 3.76Å; R110-F125 HydrophobicContact CG-CE1 3.86Å; R110-F125 HydrophobicContact CG-CG 4.35Å; R110-D126 IonicContact NH1-OD1 3.8Å; R110-A219 HydrophobicContact CB-CB 4.06Å; R110-S225 PolarHBondContact N-O 3.44Å |
| 111 | S | 95.1 | Very high | 90.2 | Very high | 37 Ų | 37 | 60.7 Ų | 60.7 | 26% | 0.259 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 157 | 160.3 | -76.2 | 0 | 0 | 0 | 0 | 112.4 | S113 D126 R127 | S111-S113 PolarHBondContact O-N 3.08Å; S111-D126 WeakPolarHBondContact CB-OD2 3.27Å; S111-D126 PolarHBondContact N-OD1 3.3Å; S111-D126 PolarHBondContact OG-OD2 3.21Å; S111-R127 VanDerWaalsContact OG-CD 3.29Å; S111-R127 WeakPolarHBondContact OG-CD 3.21Å; S111-R127 VanDerWaalsContact OG-CG 3.26Å; S111-R127 WeakPolarHBondContact OG-CG 3.42Å |
| 112 | E | 94.5 | Very high | 91.4 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 52% | 0.519 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 117.2 | 170.4 | -59 | -176.4 | -114.8 | 0 | 0 | 109.1 | S220 I221 | E112-S220 WeakPolarHBondContact OE2-CA 3.34Å; E112-I221 PolarHBondContact OE2-N 3.17Å |
| 113 | S | 89.1 | Confident | 91.9 | Very high | 50 Ų | 50 | 56.1 Ų | 56.1 | 35% | 0.35 | 31% | 0.306 | S | S | . | . | trans | -125.6 | 139.2 | 180 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | S111 V115 | S111-S113 PolarHBondContact O-N 3.08Å; S113-V115 PolarHBondContact OG-N 2.78Å; S113-V115 PolarHBondContact OG-O 2.74Å | ||
| 114 | R | 83.4 | Confident | 92 | Very high | 228 Ų | 228 | 52.8 Ų | 52.8 | 86% | 0.86 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -93.2 | -15.9 | 165.1 | -66.1 | -176.3 | -179.5 | -112 | 0.1 | 112.3 | ||
| 115 | V | 87.4 | Confident | 92 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 66% | 0.655 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -82.6 | 130.4 | 178.3 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | S113 | S113-V115 PolarHBondContact OG-N 2.78Å; S113-V115 PolarHBondContact OG-O 2.74Å |
| 116 | P | 85.7 | Confident | 92 | Very high | 87 Ų | 87 | 54 Ų | 54 | 57% | 0.565 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 140.2 | 170.8 | -28.1 | 36.4 | 0 | 0 | 0 | 111.2 | I215 | P116-I215 HydrophobicContact CB-CD1 3.88Š|
| 117 | P | 84.3 | Confident | 91.9 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 152.8 | 173.8 | 31 | -36.9 | 0 | 0 | 0 | 110.3 | S119 L123 I215 I217 | P117-S119 PolarHBondContact O-N 3.43Å; P117-L123 HydrophobicContact CB-CD1 3.36Å; P117-L123 HydrophobicContact CG-CD1 4.47Å; P117-I215 HydrophobicContact CG-CB 3.75Å; P117-I215 HydrophobicContact CG-CG2 4.18Å; P117-I215 WeakPolarHBondContact CG-O 3.31Å; P117-I217 HydrophobicContact CB-CG2 4.28Å; P117-I217 HydrophobicContact CG-CG2 4Å |
| 118 | P | 82.9 | Confident | 91.9 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 41% | 0.409 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 132.5 | 169 | -21.6 | 33.1 | 0 | 0 | 0 | 110.7 | A121 | P118-A121 HydrophobicContact CB-CB 4.03Š|
| 119 | S | 80.5 | Confident | 91.9 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 39% | 0.392 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -85.8 | 151.7 | 161.7 | 58.6 | 0 | 0 | 0 | 0 | 109.2 | P117 A121 | P117-S119 PolarHBondContact O-N 3.43Å; S119-A121 PolarHBondContact O-N 2.94Å; S119-A121 VanDerWaalsContact O-N 3.09Å |
| 120 | D | 83.7 | Confident | 91.9 | Very high | 123 Ų | 123 | 67.7 Ų | 67.7 | 66% | 0.658 | 37% | 0.367 | S | S | * | . | S | Bend | trans | 59.5 | 20.2 | 176.3 | -51.8 | -51.4 | 0 | 0 | 0 | 115.6 | ||
| 121 | A | 92.8 | Very high | 92 | Very high | 34 Ų | 34 | 68 Ų | 68 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -136.4 | 157.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P118 S119 L123 | P118-A121 HydrophobicContact CB-CB 4.03Å; S119-A121 PolarHBondContact O-N 2.94Å; S119-A121 VanDerWaalsContact O-N 3.09Å; A121-L123 PolarHBondContact O-N 2.82Å |
| 122 | P | 96 | Very high | 92.1 | Very high | 33 Ų | 33 | 73 Ų | 73 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | B | Isolated β-bridge | trans | -52 | 132.1 | 172 | -26 | 33.8 | 0 | 0 | 0 | 111.6 | P124 T140 K142 W206 | P122-P124 WeakPolarHBondContact O-CD 3.43Å; P122-T140 VanDerWaalsContact CB-O 3.24Å; P122-T140 WeakPolarHBondContact CB-O 3.3Å; P122-K142 HydrophobicContact CB-CG 4.23Å; P122-K142 HydrophobicContact CG-CD 4.46Å; P122-K142 HydrophobicContact CG-CG 4.18Å; P122-W206 HydrophobicContact CB-CB 4.13Å; P122-W206 HydrophobicContact CB-CG 3.89Å; P122-W206 HydrophobicContact CG-CD2 4.22Å; P122-W206 HydrophobicContact CG-CG 3.97Å |
| 123 | L | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | trans | -83.7 | 115.5 | -179.3 | -171.3 | 69.8 | 0 | 0 | 0 | 109.3 | P117 A121 F125 V207 I217 | P117-L123 HydrophobicContact CB-CD1 3.36Å; P117-L123 HydrophobicContact CG-CD1 4.47Å; A121-L123 PolarHBondContact O-N 2.82Å; L123-F125 HydrophobicContact CB-CE2 4.32Å; L123-F125 HydrophobicContact CD2-CE2 4.07Å; L123-F125 HydrophobicContact CD2-CZ 4.09Å; L123-F125 HydrophobicContact CG-CE2 4.29Å; L123-F125 VanDerWaalsContact O-CD2 3.28Å; L123-F125 WeakPolarHBondContact O-CD2 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; L123-V207 WeakPolarHBondContact CB-O 3.44Å; L123-V207 HydrophobicContact CD2-CG1 4.48Å; L123-V207 PolarHBondContact N-O 3.33Å; L123-I217 HydrophobicContact CD1-CG2 4.47Å; L123-I217 HydrophobicContact CD2-CD1 3.48Å; L123-I217 VanDerWaalsContact CD2-CD1 3.48Å; L123-I217 HydrophobicContact CD2-CG2 3.97Å | ||
| 124 | P | 95.5 | Very high | 92.6 | Very high | 31 Ų | 31 | 70.4 Ų | 70.4 | 20% | 0.201 | 39% | 0.386 | C | S | . | . | trans | -75.2 | 119.8 | -175.3 | 27 | -31.9 | 0 | 0 | 0 | 110.9 | R110 P122 | R110-P124 WeakPolarHBondContact CD-O 3.17Å; R110-P124 PolarHBondContact NH1-O 2.85Å; P122-P124 WeakPolarHBondContact O-CD 3.43Å | ||
| 125 | F | 97.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | trans | -94.8 | 90.2 | 163.3 | -62.1 | -108.6 | 0 | 0 | 0 | 107 | A108 K109 R110 L123 Y136 V155 V207 I217 S225 F227 | A108-F125 HydrophobicContact CB-CB 3.71Å; A108-F125 WeakPolarHBondContact CB-O 3.35Å; K109-F125 CarbonylContact O-C 3.59Å; R110-F125 HydrophobicContact CG-CD1 3.76Å; R110-F125 HydrophobicContact CG-CE1 3.86Å; R110-F125 HydrophobicContact CG-CG 4.35Å; L123-F125 HydrophobicContact CB-CE2 4.32Å; L123-F125 HydrophobicContact CD2-CE2 4.07Å; L123-F125 HydrophobicContact CD2-CZ 4.09Å; L123-F125 HydrophobicContact CG-CE2 4.29Å; L123-F125 VanDerWaalsContact O-CD2 3.28Å; L123-F125 WeakPolarHBondContact O-CD2 3.29Å; L123-F125 PolarHBondContact O-N 3.35Å; F125-Y136 WeakPolarHBondContact CA-OH 3.48Å; F125-Y136 VanDerWaalsContact CB-OH 3.29Å; F125-Y136 WeakPolarHBondContact CB-OH 3.48Å; F125-Y136 PolarHBondContact N-OH 2.8Å; F125-Y136 VanDerWaalsContact N-OH 3.12Å; F125-Y136 WeakPolarHBondContact O-CE1 3.14Å; F125-Y136 PolarHBondContact O-OH 2.78Å; F125-V155 HydrophobicContact CZ-CG1 4.46Å; F125-V207 HydrophobicContact CE2-CB 3.95Å; F125-V207 HydrophobicContact CE2-CG1 4.42Å; F125-V207 HydrophobicContact CE2-CG2 3.95Å; F125-V207 HydrophobicContact CZ-CB 4.49Å; F125-V207 HydrophobicContact CZ-CG2 4.34Å; F125-I217 HydrophobicContact CE1-CD1 4.48Å; F125-I217 HydrophobicContact CZ-CD1 4.2Å; F125-S225 WeakPolarHBondContact CD1-O 3.28Å; F125-F227 HydrophobicContact CD1-CB 3.69Å; F125-F227 HydrophobicContact CD2-CB 3.69Å; F125-F227 HydrophobicContact CD2-CD1 4.03Å; F125-F227 HydrophobicContact CD2-CG 4.28Å; F125-F227 HydrophobicContact CE1-CB 3.7Å; F125-F227 HydrophobicContact CE2-CB 3.71Å; F125-F227 HydrophobicContact CE2-CD1 4.26Å; F125-F227 HydrophobicContact CE2-CG 4.25Å; F125-F227 HydrophobicContact CG-CB 3.7Å; F125-F227 HydrophobicContact CZ-CB 3.72Å | ||
| 126 | D | 96.7 | Very high | 93.8 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | trans | -83.3 | -14.4 | -162.8 | 58.6 | -59.8 | 0 | 0 | 0 | 113.8 | K109 R110 S111 | K109-D126 PolarHBondContact O-N 2.72Å; R110-D126 IonicContact NH1-OD1 3.8Å; S111-D126 WeakPolarHBondContact CB-OD2 3.27Å; S111-D126 PolarHBondContact N-OD1 3.3Å; S111-D126 PolarHBondContact OG-OD2 3.21Å | ||
| 127 | R | 97.7 | Very high | 94.4 | Very high | 114 Ų | 114 | 55.2 Ų | 55.2 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 97.9 | 177 | -61.6 | -177.5 | 64.6 | -178.8 | 5 | 110.6 | A108 K109 S111 | A108-R127 CarbonylContact C-O 3.52Å; A108-R127 WeakPolarHBondContact CA-O 3.43Å; K109-R127 HydrophobicContact CG-CB 3.68Å; K109-R127 PolarHBondContact N-O 2.76Å; K109-R127 WeakPolarHBondContact O-CB 3.37Å; K109-R127 PolarHBondContact O-N 2.89Å; S111-R127 VanDerWaalsContact OG-CD 3.29Å; S111-R127 WeakPolarHBondContact OG-CD 3.21Å; S111-R127 VanDerWaalsContact OG-CG 3.26Å; S111-R127 WeakPolarHBondContact OG-CG 3.42Å |
| 128 | V | 98.4 | Very high | 95.1 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131.8 | 176.7 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | N131 A138 | V128-N131 HydrophobicContact CG1-CB 3.51Å; V128-A138 HydrophobicContact CG2-CB 3.75Å |
| 129 | L | 98.4 | Very high | 95.7 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 53% | 0.534 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -45.8 | 169.7 | -60.1 | 178.8 | 0 | 0 | 0 | 110.8 | S107 K109 | S107-L129 WeakPolarHBondContact O-CA 3.47Å; S107-L129 WeakPolarHBondContact O-CB 3.41Å; S107-L129 PolarHBondContact O-N 2.84Å; K109-L129 HydrophobicContact CD-CD2 3.98Å; K109-L129 HydrophobicContact CG-CD2 4.37Å |
| 130 | V | 98.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 38% | 0.376 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 137.5 | 173.5 | 61.4 | 0 | 0 | 0 | 0 | 108.9 | F106 S107 E132 | F106-V130 CarbonylContact C-O 3.51Å; F106-V130 VanDerWaalsContact CA-O 3.23Å; F106-V130 WeakPolarHBondContact CA-O 3.41Å; S107-V130 PolarHBondContact N-O 2.94Å; S107-V130 PolarHBondContact O-N 2.85Å; S107-V130 VanDerWaalsContact O-N 3.12Å; V130-E132 HydrophobicContact CG2-CG 3.99Å |
| 131 | N | 98.2 | Very high | 97.1 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 20% | 0.198 | 30% | 0.303 | C | S | . | . | trans | -163.3 | 51.1 | 178.2 | -172.8 | 28.7 | 0 | 0 | 0 | 109.8 | F106 V128 Q133 G134 H135 Y136 | F106-N131 HydrophobicContact CB-CB 4.41Å; V128-N131 HydrophobicContact CG1-CB 3.51Å; N131-Q133 PolarHBondContact O-N 2.79Å; N131-G134 PolarHBondContact O-N 2.91Å; N131-H135 PolarHBondContact OD1-N 3.19Å; N131-Y136 PolarHBondContact ND2-O 2.99Å; N131-Y136 PolarHBondContact OD1-N 2.81Å | ||
| 132 | E | 96.7 | Very high | 97.4 | Very high | 142 Ų | 142 | 54 Ų | 54 | 66% | 0.664 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -33.5 | -170.3 | -66.8 | 176.6 | 164.6 | 0 | 0 | 113.3 | V130 | V130-E132 HydrophobicContact CG2-CG 3.99Š|
| 133 | Q | 96.5 | Very high | 97.5 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -8.4 | 179.4 | -61.9 | 81.1 | 42.5 | 0 | 0 | 113.7 | R103 A105 N131 H135 | R103-Q133 WeakPolarHBondContact O-CG 3.21Å; A105-Q133 PolarHBondContact O-OE1 2.9Å; N131-Q133 PolarHBondContact O-N 2.79Å; Q133-H135 PolarHBondContact O-CD2 3.04Å; Q133-H135 VanDerWaalsContact O-CD2 3.27Å; Q133-H135 PolarHBondContact O-N 2.97Å |
| 134 | G | 97.8 | Very high | 97.7 | Very high | 51 Ų | 51 | 53.7 Ų | 53.7 | 53% | 0.526 | 30% | 0.297 | S | S | . | . | trans | 66.8 | 15.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | N131 Y136 | N131-G134 PolarHBondContact O-N 2.91Å; G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 2.88Å | ||
| 135 | H | 98.4 | Very high | 97.8 | Very high | 32 Ų | 32 | 52.2 Ų | 52.2 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | trans | -74.5 | -18.4 | -178.6 | -63 | 168.9 | 0 | 0 | 0 | 113.2 | S104 N131 Q133 F143 T144 Q146 | S104-H135 WeakPolarHBondContact CB-ND1 3.26Å; S104-H135 PolarHBondContact OG-ND1 2.87Å; N131-H135 PolarHBondContact OD1-N 3.19Å; Q133-H135 PolarHBondContact O-CD2 3.04Å; Q133-H135 VanDerWaalsContact O-CD2 3.27Å; Q133-H135 PolarHBondContact O-N 2.97Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.27Å; H135-F143 WeakPolarHBondContact O-CA 3.47Å; H135-T144 PolarHBondContact O-N 2.73Å; H135-Q146 WeakPolarHBondContact NE2-CG 3.23Å | ||
| 136 | Y | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.2 | 171.3 | 175.7 | -102.3 | 0 | 0 | 0 | 111 | F106 A108 F125 N131 G134 A138 F143 F227 | F106-Y136 HydrophobicContact CB-CG 4.35Å; F106-Y136 AromaticContact CD2-CD1 3.91Å; F106-Y136 HydrophobicContact CD2-CD1 3.91Å; F106-Y136 AromaticContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CD2 3.57Å; F106-Y136 HydrophobicContact CD2-CE2 4.26Å; F106-Y136 AromaticContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CD2-CG 3.38Å; F106-Y136 HydrophobicContact CE2-CD1 4.45Å; F106-Y136 AromaticContact CE2-CD2 3.39Å; F106-Y136 HydrophobicContact CE2-CD2 3.39Å; F106-Y136 AromaticContact CE2-CE2 3.84Å; F106-Y136 HydrophobicContact CE2-CE2 3.84Å; F106-Y136 AromaticContact CE2-CG 3.76Å; F106-Y136 HydrophobicContact CE2-CG 3.76Å; F106-Y136 VanDerWaalsContact CG-CB 3.44Å; F106-Y136 HydrophobicContact CG-CD2 4.25Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.94Å; F106-Y136 HydrophobicContact CZ-CD2 3.94Å; A108-Y136 HydrophobicContact CB-CD1 4.19Å; A108-Y136 HydrophobicContact CB-CE1 3.55Å; F125-Y136 WeakPolarHBondContact CA-OH 3.48Å; F125-Y136 VanDerWaalsContact CB-OH 3.29Å; F125-Y136 WeakPolarHBondContact CB-OH 3.48Å; F125-Y136 PolarHBondContact N-OH 2.8Å; F125-Y136 VanDerWaalsContact N-OH 3.12Å; F125-Y136 WeakPolarHBondContact O-CE1 3.14Å; F125-Y136 PolarHBondContact O-OH 2.78Å; N131-Y136 PolarHBondContact ND2-O 2.99Å; N131-Y136 PolarHBondContact OD1-N 2.81Å; G134-Y136 VanDerWaalsContact C-N 3.29Å; G134-Y136 PolarHBondContact O-N 2.88Å; Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.9Å; Y136-F143 HydrophobicContact CD2-CB 4.39Å; Y136-F227 HydrophobicContact CE2-CD1 4.1Å; Y136-F227 HydrophobicContact CE2-CE1 4.21Å |
| 137 | D | 98.4 | Very high | 97.6 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 36% | 0.364 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 109.3 | 173.9 | 176.5 | -2.9 | 0 | 0 | 0 | 109.8 | V139 T140 G141 K142 | D137-V139 PolarHBondContact O-N 3.27Å; D137-V139 WeakPolarHBondContact OD1-CA 3.41Å; D137-V139 WeakPolarHBondContact OD1-CB 3.2Å; D137-V139 PolarHBondContact OD1-N 2.71Å; D137-T140 VanDerWaalsContact CB-OG1 3.3Å; D137-T140 WeakPolarHBondContact CB-OG1 3.32Å; D137-T140 PolarHBondContact O-N 2.8Å; D137-T140 PolarHBondContact OD1-N 3.15Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D137-T140 PolarHBondContact OD2-OG1 3.35Å; D137-G141 WeakPolarHBondContact O-CA 3.39Å; D137-G141 PolarHBondContact O-N 2.94Å; D137-K142 PolarHBondContact N-O 2.68Å; D137-K142 PolarHBondContact O-N 3.4Å |
| 138 | A | 97.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -18.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V128 Y136 | V128-A138 HydrophobicContact CG2-CB 3.75Å; Y136-A138 HydrophobicContact CD1-CB 4.44Å; Y136-A138 HydrophobicContact CE1-CB 3.9Å |
| 139 | V | 96 | Very high | 97.4 | Very high | 130 Ų | 130 | 45.6 Ų | 45.6 | 79% | 0.788 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -46.4 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 109.8 | D137 | D137-V139 PolarHBondContact O-N 3.27Å; D137-V139 WeakPolarHBondContact OD1-CA 3.41Å; D137-V139 WeakPolarHBondContact OD1-CB 3.2Å; D137-V139 PolarHBondContact OD1-N 2.71Å |
| 140 | T | 96.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -17.9 | -178.6 | 61 | 0 | 0 | 0 | 0 | 113.5 | P122 D137 K142 | P122-T140 VanDerWaalsContact CB-O 3.24Å; P122-T140 WeakPolarHBondContact CB-O 3.3Å; D137-T140 VanDerWaalsContact CB-OG1 3.3Å; D137-T140 WeakPolarHBondContact CB-OG1 3.32Å; D137-T140 PolarHBondContact O-N 2.8Å; D137-T140 PolarHBondContact OD1-N 3.15Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.47Å; D137-T140 PolarHBondContact OD2-OG1 3.35Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.2Å |
| 141 | G | 97.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | D137 W206 | D137-G141 WeakPolarHBondContact O-CA 3.39Å; D137-G141 PolarHBondContact O-N 2.94Å; G141-W206 WeakPolarHBondContact O-CB 3.23Å |
| 142 | K | 98.5 | Very high | 97.4 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 21% | 0.209 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136 | -174.7 | -63.8 | -175.2 | 169.2 | -168.9 | 0 | 111.7 | P122 D137 T140 W206 | P122-K142 HydrophobicContact CB-CG 4.23Å; P122-K142 HydrophobicContact CG-CD 4.46Å; P122-K142 HydrophobicContact CG-CG 4.18Å; D137-K142 PolarHBondContact N-O 2.68Å; D137-K142 PolarHBondContact O-N 3.4Å; T140-K142 VanDerWaalsContact C-N 3.27Å; T140-K142 PolarHBondContact O-N 3.2Å; K142-W206 HydrophobicContact CD-CE3 4.24Å; K142-W206 HydrophobicContact CG-CB 4.09Å; K142-W206 HydrophobicContact CG-CD2 4.39Å; K142-W206 HydrophobicContact CG-CE3 4.18Å; K142-W206 HydrophobicContact CG-CG 4.4Å |
| 143 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 132.4 | 160.3 | 172.8 | -94.8 | 0 | 0 | 0 | 109 | S104 F106 H135 Y136 C145 Y151 F153 L199 Q204 V205 | S104-F143 WeakPolarHBondContact OG-CE2 3.34Å; S104-F143 WeakPolarHBondContact OG-CZ 3.41Å; F106-F143 HydrophobicContact CD1-CB 4.46Å; F106-F143 AromaticContact CD1-CD2 3.42Å; F106-F143 HydrophobicContact CD1-CD2 3.42Å; F106-F143 VanDerWaalsContact CD1-CD2 3.42Å; F106-F143 AromaticContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CE2 4Å; F106-F143 HydrophobicContact CD1-CG 4.22Å; F106-F143 HydrophobicContact CE1-CB 3.72Å; F106-F143 AromaticContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CD2 3.37Å; F106-F143 HydrophobicContact CE1-CE2 4.18Å; F106-F143 AromaticContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CE1-CG 3.71Å; F106-F143 HydrophobicContact CG-CD2 4.48Å; F106-F143 HydrophobicContact CZ-CB 4Å; F106-F143 HydrophobicContact CZ-CD2 4.41Å; F106-F143 HydrophobicContact CZ-CG 4.47Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.27Å; H135-F143 WeakPolarHBondContact O-CA 3.47Å; Y136-F143 HydrophobicContact CD2-CB 4.39Å; F143-C145 HydrophobicContact CE1-CB 4.1Å; F143-Y151 HydrophobicContact CE1-CD1 4.2Å; F143-Y151 AromaticContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE2-CE1 4.48Å; F143-Y151 HydrophobicContact CZ-CD1 4.03Å; F143-Y151 AromaticContact CZ-CE1 3.49Å; F143-Y151 HydrophobicContact CZ-CE1 3.49Å; F143-Y151 VanDerWaalsContact CZ-CE1 3.49Å; F143-F153 HydrophobicContact CB-CE1 4.2Å; F143-F153 AromaticContact CD1-CE1 3.92Å; F143-F153 HydrophobicContact CD1-CE1 3.92Å; F143-F153 AromaticContact CD1-CZ 3.66Å; F143-F153 HydrophobicContact CD1-CZ 3.66Å; F143-F153 AromaticContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CG-CE1 4.03Å; F143-F153 HydrophobicContact CG-CZ 4.25Å; F143-L199 HydrophobicContact CD1-CD1 4.21Å; F143-L199 HydrophobicContact CE1-CD1 3.75Å; F143-Q204 CarbonylContact O-C 3.48Å; F143-Q204 VanDerWaalsContact O-CA 3.22Å; F143-Q204 WeakPolarHBondContact O-CA 3.37Å; F143-V205 HydrophobicContact CD1-CB 4.4Å; F143-V205 PolarHBondContact N-O 3.31Å; F143-V205 PolarHBondContact O-N 3.19Å |
| 144 | T | 98.7 | Very high | 97.6 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 17% | 0.172 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.3 | 173.9 | -54.5 | 0 | 0 | 0 | 0 | 109.1 | H135 Q204 | H135-T144 PolarHBondContact O-N 2.73Å; T144-Q204 HydrophobicContact CG2-CG 4.22Å; T144-Q204 PolarHBondContact OG1-NE2 3.18Å |
| 145 | C | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -67.4 | 133.6 | -177.8 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | F143 V147 L199 E200 P201 E202 D203 | F143-C145 HydrophobicContact CE1-CB 4.1Å; C145-V147 PolarHBondContact SG-O 2.87Å; C145-L199 HydrophobicContact CB-CB 3.98Å; C145-L199 HydrophobicContact CB-CD1 4.12Å; C145-L199 VanDerWaalsContact SG-CB 3.59Å; C145-E200 VanDerWaalsContact CB-O 3.22Å; C145-E200 WeakPolarHBondContact CB-O 3.34Å; C145-E200 PolarHBondContact SG-O 2.83Å; C145-P201 WeakPolarHBondContact O-CA 3.49Å; C145-E202 PolarHBondContact O-N 3.49Å; C145-D203 HydrophobicContact CB-CB 4.25Å; C145-D203 VanDerWaalsContact CB-O 3.32Å; C145-D203 WeakPolarHBondContact CB-O 3.41Å; C145-D203 PolarHBondContact N-O 3.01Å | ||
| 146 | Q | 96 | Very high | 97.7 | Very high | 88 Ų | 88 | 32.3 Ų | 32.3 | 41% | 0.411 | 17% | 0.172 | S | C | . | . | trans | -117.8 | -17.4 | 172 | -64 | -62.1 | -47.9 | 0 | 0 | 112.5 | H135 E202 | H135-Q146 WeakPolarHBondContact NE2-CG 3.23Å; Q146-E202 PolarHBondContact NE2-OE1 2.88Å | ||
| 147 | V | 94.9 | Very high | 97.6 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 7% | 0.073 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -122.9 | 117.2 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 108.4 | P102 C145 Y151 L231 | P102-V147 HydrophobicContact CB-CB 4.4Å; P102-V147 HydrophobicContact CB-CG1 3.61Å; P102-V147 HydrophobicContact CB-CG2 3.89Å; P102-V147 HydrophobicContact CG-CG1 3.53Å; C145-V147 PolarHBondContact SG-O 2.87Å; V147-Y151 VanDerWaalsContact O-CE2 3.29Å; V147-Y151 WeakPolarHBondContact O-CE2 3.36Å; V147-Y151 PolarHBondContact O-OH 2.86Å; V147-L231 HydrophobicContact CB-CD2 4.29Å; V147-L231 HydrophobicContact CG1-CD2 3.71Å |
| 148 | P | 95.5 | Very high | 97.6 | Very high | 11 Ų | 11 | 29.9 Ų | 29.9 | 7% | 0.071 | 16% | 0.161 | C | C | . | . | trans | -63.7 | 139.8 | 177.6 | 26.4 | -32.3 | 0 | 0 | 0 | 110.6 | L199 S234 D235 W236 | P148-L199 WeakPolarHBondContact CA-O 3.3Å; P148-S234 CarbonylContact O-C 3.59Å; P148-S234 VanDerWaalsContact O-CA 3.31Å; P148-S234 WeakPolarHBondContact O-CA 3.37Å; P148-D235 HydrophobicContact CB-CB 4.45Å; P148-D235 PolarHBondContact O-N 2.92Å; P148-W236 VanDerWaalsContact CG-CD1 3.43Å; P148-W236 HydrophobicContact CG-CG 4.41Å | ||
| 149 | G | 95.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.5 | -165.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R198 L199 Y233 | G149-R198 WeakPolarHBondContact O-CA 3.29Å; G149-L199 PolarHBondContact N-O 2.85Å; G149-L199 PolarHBondContact O-N 3.48Å; G149-Y233 VanDerWaalsContact CA-O 3.29Å; G149-Y233 WeakPolarHBondContact CA-O 3.35Å |
| 150 | V | 97.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 25.4 Ų | 25.4 | 9% | 0.085 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.6 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | M196 R198 V232 Y233 | V150-M196 HydrophobicContact CG1-CB 4.32Å; V150-M196 HydrophobicContact CG1-CE 3.72Å; V150-R198 HydrophobicContact CG2-CB 4.18Å; V150-R198 HydrophobicContact CG2-CG 4.3Å; V150-V232 WeakPolarHBondContact O-CB 3.43Å; V150-V232 PolarHBondContact O-N 3.11Å; V150-Y233 HydrophobicContact CB-CD1 4.17Å; V150-Y233 HydrophobicContact CB-CE1 3.63Å; V150-Y233 HydrophobicContact CB-CE2 4.05Å; V150-Y233 HydrophobicContact CG1-CE1 4.19Å; V150-Y233 HydrophobicContact CG2-CE1 3.89Å; V150-Y233 HydrophobicContact CG2-CE2 3.74Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.34Å; V150-Y233 PolarHBondContact N-O 3.3Å |
| 151 | Y | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 150.4 | -179.2 | -73.1 | -102.4 | 0 | 0 | 0 | 110.3 | F143 V147 F153 M196 V197 L199 F230 L231 | F143-Y151 HydrophobicContact CE1-CD1 4.2Å; F143-Y151 AromaticContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE1-CE1 3.97Å; F143-Y151 HydrophobicContact CE2-CE1 4.48Å; F143-Y151 HydrophobicContact CZ-CD1 4.03Å; F143-Y151 AromaticContact CZ-CE1 3.49Å; F143-Y151 HydrophobicContact CZ-CE1 3.49Å; F143-Y151 VanDerWaalsContact CZ-CE1 3.49Å; V147-Y151 VanDerWaalsContact O-CE2 3.29Å; V147-Y151 WeakPolarHBondContact O-CE2 3.36Å; V147-Y151 PolarHBondContact O-OH 2.86Å; Y151-F153 VanDerWaalsContact CB-CE2 3.46Å; Y151-F153 HydrophobicContact CD1-CZ 4.42Å; Y151-F153 HydrophobicContact CG-CE2 4.26Å; Y151-F153 HydrophobicContact CG-CZ 4.45Å; Y151-M196 CarbonylContact O-C 3.55Å; Y151-M196 WeakPolarHBondContact O-CA 3.4Å; Y151-V197 PolarHBondContact N-O 3.35Å; Y151-V197 PolarHBondContact O-N 2.68Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.86Å; Y151-L199 HydrophobicContact CD2-CD1 3.63Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.96Å; Y151-L199 HydrophobicContact CE2-CD1 4.07Å; Y151-L199 HydrophobicContact CE2-CG 4.33Å; Y151-L199 HydrophobicContact CG-CD1 3.82Å; Y151-L199 HydrophobicContact CG-CG 4.34Å; Y151-F230 CarbonylContact C-O 3.54Å; Y151-F230 VanDerWaalsContact CA-O 3.27Å; Y151-F230 WeakPolarHBondContact CA-O 3.23Å; Y151-F230 VanDerWaalsContact CD1-C 3.48Å; Y151-L231 HydrophobicContact CD1-CB 4.14Å; Y151-L231 HydrophobicContact CD2-CD1 4.03Å; Y151-L231 HydrophobicContact CE1-CB 3.69Å; Y151-L231 HydrophobicContact CE1-CD1 4.16Å; Y151-L231 HydrophobicContact CE2-CD1 3.54Å |
| 152 | Y | 98.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 33% | 0.333 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.9 | 165.6 | 177.4 | -110.4 | 0 | 0 | 0 | 109.3 | A154 M196 G229 F230 | Y152-A154 HydrophobicContact CE1-CB 3.8Å; Y152-M196 HydrophobicContact CD2-CG 3.77Å; Y152-G229 CarbonylContact O-C 3.55Å; Y152-G229 VanDerWaalsContact O-CA 3.23Å; Y152-G229 WeakPolarHBondContact O-CA 3.47Å; Y152-F230 AromaticContact CD1-CE1 3.57Å; Y152-F230 HydrophobicContact CD1-CE1 3.57Å; Y152-F230 AromaticContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CE1-CE1 4.41Å; Y152-F230 HydrophobicContact CG-CE1 4.46Å; Y152-F230 HydrophobicContact CG-CZ 4.25Å; Y152-F230 PolarHBondContact N-O 2.84Å; Y152-F230 PolarHBondContact O-N 2.82Å |
| 153 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.9 | 174.8 | -67.3 | -89.6 | 0 | 0 | 0 | 110 | F106 F143 Y151 L168 G194 A195 V197 L199 V205 F227 S228 | F106-F153 HydrophobicContact CE1-CD1 4.24Å; F106-F153 AromaticContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CE1-CE1 3.81Å; F106-F153 HydrophobicContact CZ-CD1 4.25Å; F106-F153 HydrophobicContact CZ-CE1 4.13Å; F143-F153 HydrophobicContact CB-CE1 4.2Å; F143-F153 AromaticContact CD1-CE1 3.92Å; F143-F153 HydrophobicContact CD1-CE1 3.92Å; F143-F153 AromaticContact CD1-CZ 3.66Å; F143-F153 HydrophobicContact CD1-CZ 3.66Å; F143-F153 AromaticContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CE1-CZ 3.98Å; F143-F153 HydrophobicContact CG-CE1 4.03Å; F143-F153 HydrophobicContact CG-CZ 4.25Å; Y151-F153 VanDerWaalsContact CB-CE2 3.46Å; Y151-F153 HydrophobicContact CD1-CZ 4.42Å; Y151-F153 HydrophobicContact CG-CE2 4.26Å; Y151-F153 HydrophobicContact CG-CZ 4.45Å; F153-L168 HydrophobicContact CB-CD1 4.2Å; F153-L168 HydrophobicContact CB-CD2 4.19Å; F153-G194 CarbonylContact O-C 3.52Å; F153-G194 WeakPolarHBondContact O-CA 3.09Å; F153-A195 PolarHBondContact N-O 3.14Å; F153-A195 PolarHBondContact O-N 2.81Å; F153-V197 HydrophobicContact CD2-CG1 3.8Å; F153-V197 HydrophobicContact CE2-CG1 3.61Å; F153-L199 HydrophobicContact CE2-CD1 3.91Å; F153-L199 HydrophobicContact CZ-CD1 3.86Å; F153-V205 HydrophobicContact CD1-CG1 3.89Å; F153-V205 HydrophobicContact CD2-CG1 4.09Å; F153-V205 HydrophobicContact CE1-CB 3.89Å; F153-V205 HydrophobicContact CE1-CG1 3.71Å; F153-V205 HydrophobicContact CE1-CG2 4.48Å; F153-V205 HydrophobicContact CE2-CB 4.18Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.93Å; F153-V205 HydrophobicContact CG-CG1 4.06Å; F153-V205 HydrophobicContact CZ-CB 3.69Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.78Å; F153-F227 HydrophobicContact CB-CE2 4.22Å; F153-F227 AromaticContact CD1-CE2 3.76Å; F153-F227 HydrophobicContact CD1-CE2 3.76Å; F153-F227 AromaticContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CE1-CZ 4.34Å; F153-F227 HydrophobicContact CG-CE2 4.43Å; F153-S228 CarbonylContact C-O 3.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å |
| 154 | A | 98.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 6% | 0.058 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 136.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y152 G193 F227 S228 | Y152-A154 HydrophobicContact CE1-CB 3.8Å; A154-G193 CarbonylContact C-O 3.54Å; A154-G193 WeakPolarHBondContact CA-O 3.41Å; A154-F227 WeakPolarHBondContact O-CA 3.47Å; A154-S228 PolarHBondContact N-O 3.4Å; A154-S228 PolarHBondContact O-N 3.5Å |
| 155 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 130 | 172.7 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | F125 A157 F166 L168 S192 G193 V207 T226 F227 | F125-V155 HydrophobicContact CZ-CG1 4.46Å; V155-A157 HydrophobicContact CG1-CB 4.38Å; V155-F166 HydrophobicContact CB-CE1 4.4Å; V155-F166 HydrophobicContact CB-CE2 3.79Å; V155-F166 HydrophobicContact CB-CZ 3.62Å; V155-F166 HydrophobicContact CG1-CE1 3.96Å; V155-F166 HydrophobicContact CG1-CE2 4.06Å; V155-F166 HydrophobicContact CG1-CZ 3.69Å; V155-F166 HydrophobicContact CG2-CE2 3.88Å; V155-F166 HydrophobicContact CG2-CZ 4.25Å; V155-L168 HydrophobicContact CG2-CD2 4.05Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.41Å; V155-G193 PolarHBondContact N-O 2.81Å; V155-G193 PolarHBondContact O-N 3.12Å; V155-V207 HydrophobicContact CG2-CG1 4.45Å; V155-V207 HydrophobicContact CG2-CG2 3.43Å; V155-V207 VanDerWaalsContact CG2-CG2 3.43Å; V155-T226 VanDerWaalsContact CA-O 3.31Å; V155-T226 WeakPolarHBondContact CA-O 3.2Å; V155-F227 HydrophobicContact CG2-CD2 3.67Å; V155-F227 HydrophobicContact CG2-CE2 4.26Å; V155-F227 HydrophobicContact CG2-CG 4.39Å |
| 156 | H | 98.8 | Very high | 97.1 | Very high | 94 Ų | 94 | 29.4 Ų | 29.4 | 44% | 0.435 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 103.9 | 169.7 | -58.1 | -76.1 | 0 | 0 | 0 | 108 | S192 S225 T226 | H156-S192 PolarHBondContact ND1-OG 2.8Å; H156-S225 CarbonylContact O-C 3.59Å; H156-S225 VanDerWaalsContact O-CA 3.25Å; H156-S225 WeakPolarHBondContact O-CA 3.33Å; H156-T226 PolarHBondContact N-O 3.41Å; H156-T226 PolarHBondContact O-N 3.49Å |
| 157 | A | 98.2 | Very high | 97.2 | Very high | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 138.8 | -174 | 0 | 0 | 0 | 0 | 0 | 111.8 | V155 L164 S190 L191 I217 S225 | V155-A157 HydrophobicContact CG1-CB 4.38Å; A157-L164 HydrophobicContact CB-CD2 3.56Å; A157-S190 CarbonylContact O-C 3.56Å; A157-S190 WeakPolarHBondContact O-CA 3.42Å; A157-L191 HydrophobicContact CB-CB 4.48Å; A157-L191 PolarHBondContact N-O 2.84Å; A157-L191 PolarHBondContact O-N 2.88Å; A157-I217 HydrophobicContact CB-CD1 4.1Å; A157-I217 HydrophobicContact CB-CG1 4.08Å; A157-S225 WeakPolarHBondContact CA-OG 2.97Å |
| 158 | T | 98.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 25.4 Ų | 25.4 | 11% | 0.11 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 132.8 | 161 | -62 | 0 | 0 | 0 | 0 | 108.6 | P188 Y218 T223 D224 S225 | T158-P188 HydrophobicContact CG2-CB 3.42Å; T158-P188 VanDerWaalsContact CG2-CB 3.42Å; T158-P188 HydrophobicContact CG2-CG 4.12Å; T158-Y218 WeakPolarHBondContact CB-O 3.45Å; T158-Y218 HydrophobicContact CG2-CD1 4.3Å; T158-Y218 PolarHBondContact O-N 3.23Å; T158-T223 HydrophobicContact CG2-CG2 4.22Å; T158-D224 PolarHBondContact OG1-O 2.99Å; T158-S225 PolarHBondContact N-OG 3.49Å |
| 159 | V | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 121.8 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 110.3 | A162 L164 Q180 F182 P188 A189 L191 G216 | V159-A162 WeakPolarHBondContact CG1-O 3.41Å; V159-L164 HydrophobicContact CB-CB 4.43Å; V159-L164 HydrophobicContact CG1-CB 3.85Å; V159-L164 HydrophobicContact CG2-CB 3.79Å; V159-L164 HydrophobicContact CG2-CD2 3.81Å; V159-L164 HydrophobicContact CG2-CG 4.44Å; V159-Q180 HydrophobicContact CB-CG 4.34Å; V159-Q180 HydrophobicContact CG1-CG 4.33Å; V159-Q180 HydrophobicContact CG2-CB 4.11Å; V159-Q180 HydrophobicContact CG2-CG 4.04Å; V159-F182 HydrophobicContact CG1-CB 4.18Å; V159-P188 CarbonylContact O-C 3.08Å; V159-P188 VanDerWaalsContact O-CA 3.26Å; V159-P188 WeakPolarHBondContact O-CA 3.22Å; V159-A189 HydrophobicContact CB-CB 4.31Å; V159-A189 PolarHBondContact N-O 3.03Å; V159-A189 PolarHBondContact O-N 2.83Å; V159-L191 HydrophobicContact CG2-CB 3.74Å; V159-G216 CarbonylContact C-O 3.52Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 2.94Å |
| 160 | Y | 96.1 | Very high | 97.6 | Very high | 60 Ų | 60 | 27.4 Ų | 27.4 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 150.3 | -178.8 | -165 | -134 | 0 | 0 | 0 | 113 | A162 F182 P188 G216 Y218 | Y160-A162 PolarHBondContact O-N 3.12Å; Y160-F182 AromaticContact CD2-CE2 3.74Å; Y160-F182 HydrophobicContact CD2-CE2 3.74Å; Y160-F182 AromaticContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CE2-CE2 4.35Å; Y160-F182 AromaticContact CE2-CZ 3.91Å; Y160-F182 HydrophobicContact CE2-CZ 3.91Å; Y160-P188 HydrophobicContact CD1-CG 4.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.87Å; Y160-P188 HydrophobicContact CE2-CG 4.41Å; Y160-P188 HydrophobicContact CG-CB 4.27Å; Y160-P188 HydrophobicContact CG-CG 3.89Å; Y160-G216 PolarHBondContact N-O 2.83Å; Y160-Y218 AromaticContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD2 4.33Å; Y160-Y218 AromaticContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE2 4.22Å; Y160-Y218 HydrophobicContact CD1-CG 4.21Å; Y160-Y218 AromaticContact CD1-CZ 3.94Å; Y160-Y218 HydrophobicContact CE1-CE1 4.46Å; Y160-Y218 HydrophobicContact CG-CD1 4.26Å; Y160-Y218 HydrophobicContact CG-CE1 4.49Å; Y160-Y218 HydrophobicContact CG-CG 4.46Å |
| 161 | R | 93.5 | Very high | 97.6 | Very high | 155 Ų | 155 | 30.7 Ų | 30.7 | 59% | 0.585 | 14% | 0.144 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 67.8 | -29.9 | 179.2 | -53.1 | -178.9 | 179.2 | 175.8 | -0.5 | 116.2 | F182 | R161-F182 VanDerWaalsContact N-CE1 3.31Å |
| 162 | A | 94.8 | Very high | 97.5 | Very high | 31 Ų | 31 | 33 Ų | 33 | 26% | 0.256 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 165.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | V159 Y160 F182 G216 | V159-A162 WeakPolarHBondContact CG1-O 3.41Å; Y160-A162 PolarHBondContact O-N 3.12Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 WeakPolarHBondContact O-CB 3.25Å; A162-G216 WeakPolarHBondContact O-CA 3.41Å |
| 163 | S | 97.1 | Very high | 97.4 | Very high | 16 Ų | 16 | 36.3 Ų | 36.3 | 11% | 0.112 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 157.2 | 168.4 | -60.9 | 0 | 0 | 0 | 0 | 109.7 | Q180 F182 Y214 I215 G216 | S163-Q180 WeakPolarHBondContact CA-O 3.24Å; S163-Q180 WeakPolarHBondContact CB-O 3.15Å; S163-F182 PolarHBondContact OG-N 3Å; S163-Y214 CarbonylContact O-C 3.51Å; S163-Y214 WeakPolarHBondContact O-CA 3.27Å; S163-I215 PolarHBondContact O-N 3.11Å; S163-G216 WeakPolarHBondContact O-CA 3.01Å; S163-G216 PolarHBondContact O-N 3.27Å |
| 164 | L | 97.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.4 | 177.8 | 177.9 | 59.7 | 0 | 0 | 0 | 110.1 | A157 V159 F166 F179 Q180 L191 Y214 I217 | A157-L164 HydrophobicContact CB-CD2 3.56Å; V159-L164 HydrophobicContact CB-CB 4.43Å; V159-L164 HydrophobicContact CG1-CB 3.85Å; V159-L164 HydrophobicContact CG2-CB 3.79Å; V159-L164 HydrophobicContact CG2-CD2 3.81Å; V159-L164 HydrophobicContact CG2-CG 4.44Å; L164-F166 HydrophobicContact CD2-CD1 4.14Å; L164-F166 HydrophobicContact CG-CD1 4.21Å; L164-F179 CarbonylContact O-C 3.58Å; L164-F179 WeakPolarHBondContact O-CA 3.23Å; L164-F179 WeakPolarHBondContact O-CD2 3.48Å; L164-Q180 PolarHBondContact N-O 2.52Å; L164-Q180 PolarHBondContact O-N 2.74Å; L164-L191 HydrophobicContact CB-CD2 4.31Å; L164-L191 HydrophobicContact CD2-CB 4.49Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 4Å; L164-Y214 WeakPolarHBondContact CA-O 3.29Å; L164-Y214 WeakPolarHBondContact CD1-O 3.27Å; L164-I217 HydrophobicContact CD1-CB 3.79Å; L164-I217 HydrophobicContact CD2-CB 3.85Å; L164-I217 HydrophobicContact CD2-CG1 4.08Å; L164-I217 HydrophobicContact CG-CB 4.47Å |
| 165 | Q | 97.3 | Very high | 97.3 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.2 | 165.5 | -167.5 | -78.2 | -35 | 0 | 0 | 107.7 | D167 F178 F179 V211 Y214 | Q165-D167 PolarHBondContact NE2-OD1 2.88Å; Q165-F178 VanDerWaalsContact CA-O 3.28Å; Q165-F178 WeakPolarHBondContact CA-O 3.47Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.4Å; Q165-V211 HydrophobicContact CG-CG2 4.22Å; Q165-Y214 HydrophobicContact CB-CD2 3.8Å; Q165-Y214 HydrophobicContact CB-CG 4.16Å; Q165-Y214 HydrophobicContact CG-CD2 4.5Å; Q165-Y214 PolarHBondContact N-O 2.88Å |
| 166 | F | 97.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 152.9 | 169.9 | 69.4 | -98.9 | 0 | 0 | 0 | 111.1 | V155 L164 F178 L191 V207 Q208 | V155-F166 HydrophobicContact CB-CE1 4.4Å; V155-F166 HydrophobicContact CB-CE2 3.79Å; V155-F166 HydrophobicContact CB-CZ 3.62Å; V155-F166 HydrophobicContact CG1-CE1 3.96Å; V155-F166 HydrophobicContact CG1-CE2 4.06Å; V155-F166 HydrophobicContact CG1-CZ 3.69Å; V155-F166 HydrophobicContact CG2-CE2 3.88Å; V155-F166 HydrophobicContact CG2-CZ 4.25Å; L164-F166 HydrophobicContact CD2-CD1 4.14Å; L164-F166 HydrophobicContact CG-CD1 4.21Å; F166-F178 AromaticContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CE1-CB 4.08Å; F166-F178 HydrophobicContact CE2-CB 4.08Å; F166-F178 AromaticContact CE2-CD2 3.27Å; F166-F178 HydrophobicContact CE2-CD2 3.27Å; F166-F178 AromaticContact CE2-CE2 3.99Å; F166-F178 HydrophobicContact CE2-CE2 3.99Å; F166-F178 AromaticContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CZ-CB 3.82Å; F166-F178 AromaticContact CZ-CD2 3.75Å; F166-F178 HydrophobicContact CZ-CD2 3.75Å; F166-F178 AromaticContact CZ-CG 3.95Å; F166-F178 HydrophobicContact CZ-CG 3.95Å; F166-F178 PolarHBondContact N-O 2.75Å; F166-F178 PolarHBondContact O-N 3Å; F166-L191 HydrophobicContact CD1-CD2 3.74Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.45Å; F166-L191 VanDerWaalsContact CE1-CD2 3.45Å; F166-L191 HydrophobicContact CE1-CG 3.72Å; F166-L191 HydrophobicContact CZ-CD2 4.49Å; F166-L191 HydrophobicContact CZ-CG 4.49Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.82Å; F166-V207 HydrophobicContact CG-CG1 3.99Å; F166-Q208 CarbonylContact C-O 3.59Å; F166-Q208 WeakPolarHBondContact CA-O 3.42Å; F166-Q208 WeakPolarHBondContact CB-O 3.18Å |
| 167 | D | 97.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 138.3 | 170.8 | -61.3 | -27.3 | 0 | 0 | 0 | 109.2 | Q165 V169 A176 S177 V207 Q208 | Q165-D167 PolarHBondContact NE2-OD1 2.88Å; D167-V169 HydrophobicContact CB-CG2 3.73Å; D167-A176 WeakPolarHBondContact CA-O 3.42Å; D167-S177 WeakPolarHBondContact OD1-CA 3.39Å; D167-S177 WeakPolarHBondContact OD1-CB 3.28Å; D167-S177 PolarHBondContact OD1-OG 2.95Å; D167-V207 WeakPolarHBondContact O-CA 3.36Å; D167-Q208 HydrophobicContact CB-CG 4.28Å; D167-Q208 PolarHBondContact N-O 2.93Å; D167-Q208 PolarHBondContact O-N 2.99Å; D167-Q208 VanDerWaalsContact O-N 3.08Å |
| 168 | L | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 123.4 | 154.9 | -82.7 | 172.4 | 0 | 0 | 0 | 107.3 | F153 V155 I175 A176 F178 A195 V207 F227 | F153-L168 HydrophobicContact CB-CD1 4.2Å; F153-L168 HydrophobicContact CB-CD2 4.19Å; V155-L168 HydrophobicContact CG2-CD2 4.05Å; L168-I175 HydrophobicContact CB-CB 4.44Å; L168-I175 HydrophobicContact CB-CD1 4.42Å; L168-I175 WeakPolarHBondContact O-CB 3.39Å; L168-I175 PolarHBondContact O-N 3.44Å; L168-A176 PolarHBondContact N-O 3.34Å; L168-F178 HydrophobicContact CD1-CE2 4.02Å; L168-F178 HydrophobicContact CG-CE2 4.28Å; L168-A195 HydrophobicContact CD1-CB 4.38Å; L168-V207 HydrophobicContact CD2-CG2 4Å; L168-F227 HydrophobicContact CD2-CE2 3.75Å; L168-F227 HydrophobicContact CD2-CZ 4.3Å |
| 169 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.2 | -168.9 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | D167 G172 E173 V205 W206 Q208 | D167-V169 HydrophobicContact CB-CG2 3.73Å; V169-G172 VanDerWaalsContact CG1-C 3.48Å; V169-G172 VanDerWaalsContact CG1-CA 3.47Å; V169-E173 CarbonylContact C-O 3.58Å; V169-E173 WeakPolarHBondContact CA-O 3.46Å; V169-E173 WeakPolarHBondContact CG1-O 3.3Å; V169-V205 WeakPolarHBondContact O-CA 3.31Å; V169-V205 WeakPolarHBondContact O-CG1 3.49Å; V169-W206 HydrophobicContact CB-CD2 4.18Å; V169-W206 HydrophobicContact CB-CG 4.45Å; V169-W206 HydrophobicContact CB-CZ2 4.23Å; V169-W206 HydrophobicContact CG1-CD2 4.24Å; V169-W206 HydrophobicContact CG1-CH2 3.96Å; V169-W206 HydrophobicContact CG1-CZ2 3.45Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.45Å; V169-W206 HydrophobicContact CG1-CZ3 4.49Å; V169-W206 PolarHBondContact N-O 2.73Å; V169-W206 PolarHBondContact O-N 3.28Å; V169-W206 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.48Å; V169-Q208 HydrophobicContact CG2-CG 3.63Å |
| 170 | K | 98.5 | Very high | 97.2 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 23% | 0.23 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.6 | 167.6 | 178 | -176.4 | 177.6 | 174.7 | 0 | 108.3 | G172 E173 I175 V197 R198 L199 D203 Q204 | K170-G172 PolarHBondContact O-N 2.87Å; K170-E173 PolarHBondContact N-O 3.32Å; K170-E173 PolarHBondContact O-N 2.87Å; K170-I175 HydrophobicContact CB-CD1 3.84Å; K170-I175 HydrophobicContact CB-CG1 3.76Å; K170-V197 HydrophobicContact CD-CG2 3.9Å; K170-R198 PolarHBondContact NZ-O 2.88Å; K170-L199 HydrophobicContact CD-CD2 3.81Å; K170-L199 HydrophobicContact CG-CD2 4.15Å; K170-D203 WeakPolarHBondContact CE-OD2 3.25Å; K170-D203 IonicContact NZ-OD2 2.76Å; K170-D203 PolarHBondContact NZ-OD2 2.85Å; K170-Q204 WeakPolarHBondContact CA-O 3.28Å |
| 171 | N | 97.8 | Very high | 97.3 | Very high | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.444 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 30.8 | 175 | -59.8 | -20.6 | 0 | 0 | 0 | 115.1 | D203 Q204 | N171-D203 PolarHBondContact ND2-OD1 2.84Å; N171-Q204 PolarHBondContact N-O 3.27Å; N171-Q204 PolarHBondContact OD1-N 3.21Å; N171-Q204 PolarHBondContact OD1-O 2.99Å |
| 172 | G | 95.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 46.6 Ų | 46.6 | 49% | 0.485 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -8.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V169 K170 | V169-G172 VanDerWaalsContact CG1-C 3.48Å; V169-G172 VanDerWaalsContact CG1-CA 3.47Å; K170-G172 PolarHBondContact O-N 2.87Å |
| 173 | E | 96.9 | Very high | 97.5 | Very high | 156 Ų | 156 | 46.9 Ų | 46.9 | 73% | 0.729 | 26% | 0.263 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 135.6 | 176.2 | -62.5 | -171.7 | 151.7 | 0 | 0 | 111.5 | V169 K170 I175 | V169-E173 CarbonylContact C-O 3.58Å; V169-E173 WeakPolarHBondContact CA-O 3.46Å; V169-E173 WeakPolarHBondContact CG1-O 3.3Å; K170-E173 PolarHBondContact N-O 3.32Å; K170-E173 PolarHBondContact O-N 2.87Å; E173-I175 PolarHBondContact O-N 2.85Å |
| 174 | S | 97.1 | Very high | 97.4 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 121.6 | 177.5 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | S177 | S174-S177 PolarHBondContact OG-OG 2.81Å |
| 175 | I | 97.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -48.6 | 170.1 | -52.8 | 169.5 | 0 | 0 | 0 | 109.1 | L168 K170 E173 A195 V197 V205 | L168-I175 HydrophobicContact CB-CB 4.44Å; L168-I175 HydrophobicContact CB-CD1 4.42Å; L168-I175 WeakPolarHBondContact O-CB 3.39Å; L168-I175 PolarHBondContact O-N 3.44Å; K170-I175 HydrophobicContact CB-CD1 3.84Å; K170-I175 HydrophobicContact CB-CG1 3.76Å; E173-I175 PolarHBondContact O-N 2.85Å; I175-A195 HydrophobicContact CG2-CB 3.93Å; I175-V197 HydrophobicContact CD1-CB 4.18Å; I175-V197 HydrophobicContact CD1-CG1 4.07Å; I175-V197 HydrophobicContact CD1-CG2 4.18Å; I175-V197 HydrophobicContact CG2-CB 4.49Å; I175-V205 HydrophobicContact CD1-CG1 4.37Å |
| 176 | A | 98 | Very high | 97.2 | Very high | 28 Ų | 28 | 59.4 Ų | 59.4 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 143.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D167 L168 F178 A195 | D167-A176 WeakPolarHBondContact CA-O 3.42Å; L168-A176 PolarHBondContact N-O 3.34Å; A176-F178 HydrophobicContact CB-CE2 3.77Å; A176-F178 HydrophobicContact CB-CZ 3.63Å; A176-A195 HydrophobicContact CB-CB 4.34Å |
| 177 | S | 97.7 | Very high | 97.1 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 52% | 0.517 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.6 | -178.7 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | D167 S174 | D167-S177 WeakPolarHBondContact OD1-CA 3.39Å; D167-S177 WeakPolarHBondContact OD1-CB 3.28Å; D167-S177 PolarHBondContact OD1-OG 2.95Å; S174-S177 PolarHBondContact OG-OG 2.81Å |
| 178 | F | 98.3 | Very high | 97.1 | Very high | 43 Ų | 43 | 68.6 Ų | 68.6 | 19% | 0.189 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.6 | -176.7 | -53.6 | -85.4 | 0 | 0 | 0 | 110.5 | Q165 F166 L168 A176 L191 G193 G194 | Q165-F178 VanDerWaalsContact CA-O 3.28Å; Q165-F178 WeakPolarHBondContact CA-O 3.47Å; F166-F178 AromaticContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CD2-CD2 3.9Å; F166-F178 HydrophobicContact CE1-CB 4.08Å; F166-F178 HydrophobicContact CE2-CB 4.08Å; F166-F178 AromaticContact CE2-CD2 3.27Å; F166-F178 HydrophobicContact CE2-CD2 3.27Å; F166-F178 AromaticContact CE2-CE2 3.99Å; F166-F178 HydrophobicContact CE2-CE2 3.99Å; F166-F178 AromaticContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CE2-CG 3.95Å; F166-F178 HydrophobicContact CZ-CB 3.82Å; F166-F178 AromaticContact CZ-CD2 3.75Å; F166-F178 HydrophobicContact CZ-CD2 3.75Å; F166-F178 AromaticContact CZ-CG 3.95Å; F166-F178 HydrophobicContact CZ-CG 3.95Å; F166-F178 PolarHBondContact N-O 2.75Å; F166-F178 PolarHBondContact O-N 3Å; L168-F178 HydrophobicContact CD1-CE2 4.02Å; L168-F178 HydrophobicContact CG-CE2 4.28Å; A176-F178 HydrophobicContact CB-CE2 3.77Å; A176-F178 HydrophobicContact CB-CZ 3.63Å; F178-L191 HydrophobicContact CB-CD1 4.22Å; F178-L191 HydrophobicContact CB-CD2 4.26Å; F178-L191 HydrophobicContact CB-CG 4.48Å; F178-G193 VanDerWaalsContact CD1-CA 3.41Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å |
| 179 | F | 98 | Very high | 97.1 | Very high | 98 Ų | 98 | 69.8 Ų | 69.8 | 43% | 0.43 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 140.9 | -178.1 | 175.7 | -100.2 | 0 | 0 | 0 | 111.9 | L164 Q165 F181 Y214 | L164-F179 CarbonylContact O-C 3.58Å; L164-F179 WeakPolarHBondContact O-CA 3.23Å; L164-F179 WeakPolarHBondContact O-CD2 3.48Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.4Å; F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F179-Y214 HydrophobicContact CD2-CD2 4.1Å; F179-Y214 HydrophobicContact CD2-CE2 4.39Å; F179-Y214 HydrophobicContact CE2-CD1 4.34Å; F179-Y214 AromaticContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CE1 4.41Å; F179-Y214 AromaticContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CG 4.03Å |
| 180 | Q | 97.9 | Very high | 97.1 | Very high | 60 Ų | 60 | 73.7 Ų | 73.7 | 28% | 0.28 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 124.2 | 168.7 | 174.5 | 62.1 | 56.9 | 0 | 0 | 109.9 | V159 S163 L164 A189 S190 L191 | V159-Q180 HydrophobicContact CB-CG 4.34Å; V159-Q180 HydrophobicContact CG1-CG 4.33Å; V159-Q180 HydrophobicContact CG2-CB 4.11Å; V159-Q180 HydrophobicContact CG2-CG 4.04Å; S163-Q180 WeakPolarHBondContact CA-O 3.24Å; S163-Q180 WeakPolarHBondContact CB-O 3.15Å; L164-Q180 PolarHBondContact N-O 2.52Å; L164-Q180 PolarHBondContact O-N 2.74Å; Q180-A189 HydrophobicContact CG-CB 4.49Å; Q180-S190 WeakPolarHBondContact CG-O 3.29Å; Q180-S190 PolarHBondContact OE1-O 2.82Å; Q180-L191 HydrophobicContact CB-CB 3.71Å; Q180-L191 HydrophobicContact CB-CD1 3.97Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.07Å; Q180-L191 HydrophobicContact CG-CB 4.44Å |
| 181 | F | 97.5 | Very high | 97.1 | Very high | 118 Ų | 118 | 71.8 Ų | 71.8 | 52% | 0.518 | 42% | 0.415 | S | S | . | . | trans | -71.5 | 134.6 | 172.1 | 177.1 | -110.9 | 0 | 0 | 0 | 111.2 | F179 W185 | F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F181-W185 HydrophobicContact CD1-CH2 4.29Å; F181-W185 WeakPolarHBondContact O-CH2 3.32Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.47Å | ||
| 182 | F | 96.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 71 Ų | 71 | 9% | 0.092 | 42% | 0.416 | C | S | . | . | trans | -111.3 | 107.5 | 170.7 | -177.2 | -105.2 | 0 | 0 | 0 | 110.5 | V159 Y160 R161 A162 S163 G184 W185 | V159-F182 HydrophobicContact CG1-CB 4.18Å; Y160-F182 AromaticContact CD2-CE2 3.74Å; Y160-F182 HydrophobicContact CD2-CE2 3.74Å; Y160-F182 AromaticContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CD2-CZ 3.6Å; Y160-F182 HydrophobicContact CE2-CE2 4.35Å; Y160-F182 AromaticContact CE2-CZ 3.91Å; Y160-F182 HydrophobicContact CE2-CZ 3.91Å; R161-F182 VanDerWaalsContact N-CE1 3.31Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 WeakPolarHBondContact O-CB 3.25Å; S163-F182 PolarHBondContact OG-N 3Å; F182-G184 PolarHBondContact O-N 3.03Å; F182-G184 VanDerWaalsContact O-N 3.09Å; F182-W185 AromaticContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CZ3 4.25Å; F182-W185 HydrophobicContact CE2-CB 4.35Å; F182-W185 HydrophobicContact CE2-CE3 4.11Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.22Å | ||
| 183 | G | 96 | Very high | 97.3 | Very high | 37 Ų | 37 | 69.1 Ų | 69.1 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | trans | -80.5 | 23.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | W185 | G183-W185 VanDerWaalsContact C-N 3.3Å; G183-W185 PolarHBondContact O-N 2.91Å | ||
| 184 | G | 95.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 65% | 0.649 | 38% | 0.377 | S | S | * | . | trans | 70.5 | 25 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F182 | F182-G184 PolarHBondContact O-N 3.03Å; F182-G184 VanDerWaalsContact O-N 3.09Å | ||
| 185 | W | 95.4 | Very high | 97.4 | Very high | 119 Ų | 119 | 61.2 Ų | 61.2 | 45% | 0.451 | 37% | 0.365 | S | S | . | . | trans | -64.4 | 151.9 | -179.3 | -58.2 | -57.2 | 0 | 0 | 0 | 112.2 | F181 F182 G183 K187 A189 | F181-W185 HydrophobicContact CD1-CH2 4.29Å; F181-W185 WeakPolarHBondContact O-CH2 3.32Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.47Å; F182-W185 AromaticContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CE3 3.8Å; F182-W185 HydrophobicContact CD2-CZ3 4.25Å; F182-W185 HydrophobicContact CE2-CB 4.35Å; F182-W185 HydrophobicContact CE2-CE3 4.11Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.22Å; G183-W185 VanDerWaalsContact C-N 3.3Å; G183-W185 PolarHBondContact O-N 2.91Å; W185-K187 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact O-N 3.13Å; W185-A189 HydrophobicContact CE3-CB 4.14Å; W185-A189 HydrophobicContact CZ3-CB 3.86Å | ||
| 186 | P | 96.2 | Very high | 97.4 | Very high | 116 Ų | 116 | 64 Ų | 64 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -69.9 | -9 | -179.6 | 29 | -36.8 | 0 | 0 | 0 | 113.9 | ||
| 187 | K | 95.3 | Very high | 97.5 | Very high | 159 Ų | 159 | 63.7 Ų | 63.7 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -135 | 158.1 | -178.4 | -65.7 | -174.2 | -178.5 | -178.4 | 0 | 110.8 | W185 | W185-K187 PolarHBondContact O-N 2.88Å; W185-K187 VanDerWaalsContact O-N 3.13Å |
| 188 | P | 97.1 | Very high | 97.5 | Very high | 52 Ų | 52 | 66.1 Ų | 66.1 | 34% | 0.338 | 37% | 0.371 | S | S | . | . | trans | -62.6 | 150.1 | 178.8 | -22.2 | 33.8 | 0 | 0 | 0 | 114 | T158 V159 Y160 | T158-P188 HydrophobicContact CG2-CB 3.42Å; T158-P188 VanDerWaalsContact CG2-CB 3.42Å; T158-P188 HydrophobicContact CG2-CG 4.12Å; V159-P188 CarbonylContact O-C 3.08Å; V159-P188 VanDerWaalsContact O-CA 3.26Å; V159-P188 WeakPolarHBondContact O-CA 3.22Å; Y160-P188 HydrophobicContact CD1-CG 4.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.87Å; Y160-P188 HydrophobicContact CE2-CG 4.41Å; Y160-P188 HydrophobicContact CG-CB 4.27Å; Y160-P188 HydrophobicContact CG-CG 3.89Å | ||
| 189 | A | 97.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 64 Ų | 64 | 21% | 0.207 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -172.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V159 Q180 W185 | V159-A189 HydrophobicContact CB-CB 4.31Å; V159-A189 PolarHBondContact N-O 3.03Å; V159-A189 PolarHBondContact O-N 2.83Å; Q180-A189 HydrophobicContact CG-CB 4.49Å; W185-A189 HydrophobicContact CE3-CB 4.14Å; W185-A189 HydrophobicContact CZ3-CB 3.86Å |
| 190 | S | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 63 Ų | 63 | 57% | 0.573 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 152.8 | 177.5 | 58.6 | 0 | 0 | 0 | 0 | 111.8 | A157 Q180 | A157-S190 CarbonylContact O-C 3.56Å; A157-S190 WeakPolarHBondContact O-CA 3.42Å; Q180-S190 WeakPolarHBondContact CG-O 3.29Å; Q180-S190 PolarHBondContact OE1-O 2.82Å |
| 191 | L | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 134.9 | 170.2 | 177.5 | 55.5 | 0 | 0 | 0 | 108.1 | A157 V159 L164 F166 F178 Q180 | A157-L191 HydrophobicContact CB-CB 4.48Å; A157-L191 PolarHBondContact N-O 2.84Å; A157-L191 PolarHBondContact O-N 2.88Å; V159-L191 HydrophobicContact CG2-CB 3.74Å; L164-L191 HydrophobicContact CB-CD2 4.31Å; L164-L191 HydrophobicContact CD2-CB 4.49Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 4Å; F166-L191 HydrophobicContact CD1-CD2 3.74Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.45Å; F166-L191 VanDerWaalsContact CE1-CD2 3.45Å; F166-L191 HydrophobicContact CE1-CG 3.72Å; F166-L191 HydrophobicContact CZ-CD2 4.49Å; F166-L191 HydrophobicContact CZ-CG 4.49Å; F178-L191 HydrophobicContact CB-CD1 4.22Å; F178-L191 HydrophobicContact CB-CD2 4.26Å; F178-L191 HydrophobicContact CB-CG 4.48Å; Q180-L191 HydrophobicContact CB-CB 3.71Å; Q180-L191 HydrophobicContact CB-CD1 3.97Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.07Å; Q180-L191 HydrophobicContact CG-CB 4.44Å |
| 192 | S | 98.6 | Very high | 97.3 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 47% | 0.469 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.4 | 170.7 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | V155 H156 | V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.41Å; H156-S192 PolarHBondContact ND1-OG 2.8Å |
| 193 | G | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 8% | 0.082 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 146.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | A154 V155 F178 | A154-G193 CarbonylContact C-O 3.54Å; A154-G193 WeakPolarHBondContact CA-O 3.41Å; V155-G193 PolarHBondContact N-O 2.81Å; V155-G193 PolarHBondContact O-N 3.12Å; F178-G193 VanDerWaalsContact CD1-CA 3.41Å |
| 194 | G | 98.4 | Very high | 97.5 | Very high | 29 Ų | 29 | 64.7 Ų | 64.7 | 30% | 0.299 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 154 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F153 F178 | F153-G194 CarbonylContact O-C 3.52Å; F153-G194 WeakPolarHBondContact O-CA 3.09Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å |
| 195 | A | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 17% | 0.165 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 154.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | F153 L168 I175 A176 | F153-A195 PolarHBondContact N-O 3.14Å; F153-A195 PolarHBondContact O-N 2.81Å; L168-A195 HydrophobicContact CD1-CB 4.38Å; I175-A195 HydrophobicContact CG2-CB 3.93Å; A176-A195 HydrophobicContact CB-CB 4.34Å |
| 196 | M | 98.6 | Very high | 97.9 | Very high | 113 Ų | 113 | 56.9 Ų | 56.9 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 143.2 | 166.4 | -62.8 | 178 | 76.5 | 0 | 0 | 109.2 | V150 Y151 Y152 V232 | V150-M196 HydrophobicContact CG1-CB 4.32Å; V150-M196 HydrophobicContact CG1-CE 3.72Å; Y151-M196 CarbonylContact O-C 3.55Å; Y151-M196 WeakPolarHBondContact O-CA 3.4Å; Y152-M196 HydrophobicContact CD2-CG 3.77Å; M196-V232 HydrophobicContact CE-CG1 4.36Å; M196-V232 HydrophobicContact CE-CG2 4.17Å |
| 197 | V | 98.6 | Very high | 98 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.127 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 141.8 | 178.9 | 64.4 | 0 | 0 | 0 | 0 | 110.4 | Y151 F153 K170 I175 L199 | Y151-V197 PolarHBondContact N-O 3.35Å; Y151-V197 PolarHBondContact O-N 2.68Å; F153-V197 HydrophobicContact CD2-CG1 3.8Å; F153-V197 HydrophobicContact CE2-CG1 3.61Å; K170-V197 HydrophobicContact CD-CG2 3.9Å; I175-V197 HydrophobicContact CD1-CB 4.18Å; I175-V197 HydrophobicContact CD1-CG1 4.07Å; I175-V197 HydrophobicContact CD1-CG2 4.18Å; I175-V197 HydrophobicContact CG2-CB 4.49Å; V197-L199 HydrophobicContact CG1-CD2 3.84Å; V197-L199 HydrophobicContact CG1-CG 4.1Å; V197-L199 HydrophobicContact CG2-CD2 4.12Å |
| 198 | R | 98 | Very high | 98 | Very high | 124 Ų | 124 | 45.5 Ų | 45.5 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 128.6 | 170.9 | -170.6 | 173.3 | -176.6 | -82.6 | -15.5 | 109.6 | G149 V150 K170 E200 D235 | G149-R198 WeakPolarHBondContact O-CA 3.29Å; V150-R198 HydrophobicContact CG2-CB 4.18Å; V150-R198 HydrophobicContact CG2-CG 4.3Å; K170-R198 PolarHBondContact NZ-O 2.88Å; R198-E200 IonicContact CZ-OE1 3.13Å; R198-E200 IonicContact NH1-OE1 2.68Å; R198-E200 PolarHBondContact NH1-OE1 3.24Å; R198-E200 IonicContact NH2-OE1 3.56Å; R198-E200 PolarHBondContact NH2-OE1 2.74Å; R198-D235 IonicContact CZ-OD2 3.13Å; R198-D235 IonicContact NE-OD2 2.73Å; R198-D235 PolarHBondContact NE-OD2 3.45Å; R198-D235 IonicContact NH2-OD2 2.82Å; R198-D235 PolarHBondContact NH2-OD2 3.48Å |
| 199 | L | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 142.4 | 179.1 | -56.9 | -177.7 | 0 | 0 | 0 | 110.4 | F143 C145 P148 G149 Y151 F153 K170 V197 D203 V205 | F143-L199 HydrophobicContact CD1-CD1 4.21Å; F143-L199 HydrophobicContact CE1-CD1 3.75Å; C145-L199 HydrophobicContact CB-CB 3.98Å; C145-L199 HydrophobicContact CB-CD1 4.12Å; C145-L199 VanDerWaalsContact SG-CB 3.59Å; P148-L199 WeakPolarHBondContact CA-O 3.3Å; G149-L199 PolarHBondContact N-O 2.85Å; G149-L199 PolarHBondContact O-N 3.48Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.86Å; Y151-L199 HydrophobicContact CD2-CD1 3.63Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.96Å; Y151-L199 HydrophobicContact CE2-CD1 4.07Å; Y151-L199 HydrophobicContact CE2-CG 4.33Å; Y151-L199 HydrophobicContact CG-CD1 3.82Å; Y151-L199 HydrophobicContact CG-CG 4.34Å; F153-L199 HydrophobicContact CE2-CD1 3.91Å; F153-L199 HydrophobicContact CZ-CD1 3.86Å; K170-L199 HydrophobicContact CD-CD2 3.81Å; K170-L199 HydrophobicContact CG-CD2 4.15Å; V197-L199 HydrophobicContact CG1-CD2 3.84Å; V197-L199 HydrophobicContact CG1-CG 4.1Å; V197-L199 HydrophobicContact CG2-CD2 4.12Å; L199-D203 WeakPolarHBondContact CA-OD2 3.26Å; L199-D203 HydrophobicContact CB-CB 4.19Å; L199-D203 HydrophobicContact CD2-CB 4Å; L199-V205 HydrophobicContact CD1-CG2 3.8Å; L199-V205 HydrophobicContact CD2-CG2 3.69Å; L199-V205 HydrophobicContact CG-CG2 4.41Å |
| 200 | E | 97 | Very high | 97.3 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | trans | -101.6 | 162.4 | 165.1 | -64.9 | -65.6 | 168.7 | 0 | 0 | 109.3 | C145 R198 D203 | C145-E200 VanDerWaalsContact CB-O 3.22Å; C145-E200 WeakPolarHBondContact CB-O 3.34Å; C145-E200 PolarHBondContact SG-O 2.83Å; R198-E200 IonicContact CZ-OE1 3.13Å; R198-E200 IonicContact NH1-OE1 2.68Å; R198-E200 PolarHBondContact NH1-OE1 3.24Å; R198-E200 IonicContact NH2-OE1 3.56Å; R198-E200 PolarHBondContact NH2-OE1 2.74Å; E200-D203 PolarHBondContact N-OD2 3.31Å; E200-D203 VanDerWaalsContact O-CB 3.25Å; E200-D203 WeakPolarHBondContact O-CB 3.14Å; E200-D203 PolarHBondContact O-N 2.79Å; E200-D203 VanDerWaalsContact O-N 3.11Å | ||
| 201 | P | 96 | Very high | 96.8 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 40% | 0.396 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 143.4 | 173.5 | -26.3 | 36.1 | 0 | 0 | 0 | 111.5 | C145 D203 | C145-P201 WeakPolarHBondContact O-CA 3.49Å; P201-D203 PolarHBondContact O-N 2.86Å |
| 202 | E | 97.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 43.7 Ų | 43.7 | 60% | 0.603 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -9.4 | -174 | -51.8 | -60 | 115.6 | 0 | 0 | 116.1 | C145 Q146 Q204 | C145-E202 PolarHBondContact O-N 3.49Å; Q146-E202 PolarHBondContact NE2-OE1 2.88Å; E202-Q204 PolarHBondContact O-N 3.41Å |
| 203 | D | 98.5 | Very high | 95.6 | Very high | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.123 | 26% | 0.263 | C | S | . | . | trans | -59.9 | 133.3 | 168.8 | -77.9 | -23.6 | 0 | 0 | 0 | 110.1 | C145 K170 N171 L199 E200 P201 | C145-D203 HydrophobicContact CB-CB 4.25Å; C145-D203 VanDerWaalsContact CB-O 3.32Å; C145-D203 WeakPolarHBondContact CB-O 3.41Å; C145-D203 PolarHBondContact N-O 3.01Å; K170-D203 WeakPolarHBondContact CE-OD2 3.25Å; K170-D203 IonicContact NZ-OD2 2.76Å; K170-D203 PolarHBondContact NZ-OD2 2.85Å; N171-D203 PolarHBondContact ND2-OD1 2.84Å; L199-D203 WeakPolarHBondContact CA-OD2 3.26Å; L199-D203 HydrophobicContact CB-CB 4.19Å; L199-D203 HydrophobicContact CD2-CB 4Å; E200-D203 PolarHBondContact N-OD2 3.31Å; E200-D203 VanDerWaalsContact O-CB 3.25Å; E200-D203 WeakPolarHBondContact O-CB 3.14Å; E200-D203 PolarHBondContact O-N 2.79Å; E200-D203 VanDerWaalsContact O-N 3.11Å; P201-D203 PolarHBondContact O-N 2.86Å | ||
| 204 | Q | 98.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 51 Ų | 51 | 28% | 0.276 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.2 | 179.2 | -65.8 | -166.8 | -36.5 | 0 | 0 | 111.6 | F143 T144 K170 N171 E202 W206 | F143-Q204 CarbonylContact O-C 3.48Å; F143-Q204 VanDerWaalsContact O-CA 3.22Å; F143-Q204 WeakPolarHBondContact O-CA 3.37Å; T144-Q204 HydrophobicContact CG2-CG 4.22Å; T144-Q204 PolarHBondContact OG1-NE2 3.18Å; K170-Q204 WeakPolarHBondContact CA-O 3.28Å; N171-Q204 PolarHBondContact N-O 3.27Å; N171-Q204 PolarHBondContact OD1-N 3.21Å; N171-Q204 PolarHBondContact OD1-O 2.99Å; E202-Q204 PolarHBondContact O-N 3.41Å; Q204-W206 HydrophobicContact CB-CE3 4.11Å; Q204-W206 HydrophobicContact CB-CZ3 3.82Å |
| 205 | V | 98.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.1 | 175.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | F143 F153 V169 I175 L199 F227 | F143-V205 HydrophobicContact CD1-CB 4.4Å; F143-V205 PolarHBondContact N-O 3.31Å; F143-V205 PolarHBondContact O-N 3.19Å; F153-V205 HydrophobicContact CD1-CG1 3.89Å; F153-V205 HydrophobicContact CD2-CG1 4.09Å; F153-V205 HydrophobicContact CE1-CB 3.89Å; F153-V205 HydrophobicContact CE1-CG1 3.71Å; F153-V205 HydrophobicContact CE1-CG2 4.48Å; F153-V205 HydrophobicContact CE2-CB 4.18Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.93Å; F153-V205 HydrophobicContact CG-CG1 4.06Å; F153-V205 HydrophobicContact CZ-CB 3.69Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.78Å; V169-V205 WeakPolarHBondContact O-CA 3.31Å; V169-V205 WeakPolarHBondContact O-CG1 3.49Å; I175-V205 HydrophobicContact CD1-CG1 4.37Å; L199-V205 HydrophobicContact CD1-CG2 3.8Å; L199-V205 HydrophobicContact CD2-CG2 3.69Å; L199-V205 HydrophobicContact CG-CG2 4.41Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å |
| 206 | W | 98.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 173.8 | 175.8 | 64.7 | 91.2 | 0 | 0 | 0 | 112.2 | P122 G141 K142 V169 Q204 | P122-W206 HydrophobicContact CB-CB 4.13Å; P122-W206 HydrophobicContact CB-CG 3.89Å; P122-W206 HydrophobicContact CG-CD2 4.22Å; P122-W206 HydrophobicContact CG-CG 3.97Å; G141-W206 WeakPolarHBondContact O-CB 3.23Å; K142-W206 HydrophobicContact CD-CE3 4.24Å; K142-W206 HydrophobicContact CG-CB 4.09Å; K142-W206 HydrophobicContact CG-CD2 4.39Å; K142-W206 HydrophobicContact CG-CE3 4.18Å; K142-W206 HydrophobicContact CG-CG 4.4Å; V169-W206 HydrophobicContact CB-CD2 4.18Å; V169-W206 HydrophobicContact CB-CG 4.45Å; V169-W206 HydrophobicContact CB-CZ2 4.23Å; V169-W206 HydrophobicContact CG1-CD2 4.24Å; V169-W206 HydrophobicContact CG1-CH2 3.96Å; V169-W206 HydrophobicContact CG1-CZ2 3.45Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.45Å; V169-W206 HydrophobicContact CG1-CZ3 4.49Å; V169-W206 PolarHBondContact N-O 2.73Å; V169-W206 PolarHBondContact O-N 3.28Å; V169-W206 VanDerWaalsContact O-N 3.08Å; Q204-W206 HydrophobicContact CB-CE3 4.11Å; Q204-W206 HydrophobicContact CB-CZ3 3.82Å |
| 207 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 134.7 | 171.2 | -176.9 | 0 | 0 | 0 | 0 | 108.2 | L123 F125 V155 F166 D167 L168 F227 | L123-V207 WeakPolarHBondContact CB-O 3.44Å; L123-V207 HydrophobicContact CD2-CG1 4.48Å; L123-V207 PolarHBondContact N-O 3.33Å; F125-V207 HydrophobicContact CE2-CB 3.95Å; F125-V207 HydrophobicContact CE2-CG1 4.42Å; F125-V207 HydrophobicContact CE2-CG2 3.95Å; F125-V207 HydrophobicContact CZ-CB 4.49Å; F125-V207 HydrophobicContact CZ-CG2 4.34Å; V155-V207 HydrophobicContact CG2-CG1 4.45Å; V155-V207 HydrophobicContact CG2-CG2 3.43Å; V155-V207 VanDerWaalsContact CG2-CG2 3.43Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.82Å; F166-V207 HydrophobicContact CG-CG1 3.99Å; D167-V207 WeakPolarHBondContact O-CA 3.36Å; L168-V207 HydrophobicContact CD2-CG2 4Å; V207-F227 HydrophobicContact CG2-CB 4.46Å; V207-F227 HydrophobicContact CG2-CD1 3.94Å; V207-F227 HydrophobicContact CG2-CD2 3.73Å; V207-F227 HydrophobicContact CG2-CE1 4.03Å; V207-F227 HydrophobicContact CG2-CE2 3.83Å; V207-F227 HydrophobicContact CG2-CG 3.8Å; V207-F227 HydrophobicContact CG2-CZ 3.98Å |
| 208 | Q | 95.7 | Very high | 94.8 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 17% | 0.168 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 154 | 171.4 | 74.6 | -171 | 9.7 | 0 | 0 | 111 | F166 D167 V169 | F166-Q208 CarbonylContact C-O 3.59Å; F166-Q208 WeakPolarHBondContact CA-O 3.42Å; F166-Q208 WeakPolarHBondContact CB-O 3.18Å; D167-Q208 HydrophobicContact CB-CG 4.28Å; D167-Q208 PolarHBondContact N-O 2.93Å; D167-Q208 PolarHBondContact O-N 2.99Å; D167-Q208 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.48Å; V169-Q208 HydrophobicContact CG2-CG 3.63Å |
| 209 | V | 94.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | trans | -81.9 | 116.1 | 168.8 | 177.2 | 0 | 0 | 0 | 0 | 107.7 | V211 I215 | V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V209-I215 HydrophobicContact CB-CG2 4.37Å; V209-I215 HydrophobicContact CG1-CG2 3.8Å; V209-I215 HydrophobicContact CG2-CG2 4.33Å | ||
| 210 | G | 86.2 | Confident | 94.6 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -88.5 | -12 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 211 | V | 88.2 | Confident | 94.4 | Very high | 60 Ų | 60 | 46.7 Ų | 46.7 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -129.9 | 115 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | Q165 V209 D213 Y214 | Q165-V211 HydrophobicContact CG-CG2 4.22Å; V209-V211 WeakPolarHBondContact CG1-O 3.29Å; V211-D213 PolarHBondContact O-N 3.41Å; V211-Y214 HydrophobicContact CB-CD2 3.74Å; V211-Y214 HydrophobicContact CB-CE2 4.37Å; V211-Y214 HydrophobicContact CB-CG 4.41Å; V211-Y214 HydrophobicContact CG1-CD2 3.63Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.29Å; V211-Y214 HydrophobicContact CG2-CD2 4.34Å; V211-Y214 PolarHBondContact O-N 2.95Å |
| 212 | G | 83 | Confident | 94.4 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -27.1 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | I215 | G212-I215 WeakPolarHBondContact O-CG2 3.31Š|
| 213 | D | 87.5 | Confident | 94.4 | Very high | 136 Ų | 136 | 48.1 Ų | 48.1 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -17 | 178.2 | -65.9 | -37.8 | 0 | 0 | 0 | 113.4 | V211 I215 | V211-D213 PolarHBondContact O-N 3.41Å; D213-I215 PolarHBondContact O-N 3.39Å |
| 214 | Y | 94.5 | Very high | 94.3 | Very high | 92 Ų | 92 | 50.2 Ų | 50.2 | 36% | 0.361 | 27% | 0.267 | S | S | . | . | trans | -102.3 | 53.8 | -171.9 | -57.9 | -29.2 | 0 | 0 | 0 | 112.2 | S163 L164 Q165 F179 V211 | S163-Y214 CarbonylContact O-C 3.51Å; S163-Y214 WeakPolarHBondContact O-CA 3.27Å; L164-Y214 WeakPolarHBondContact CA-O 3.29Å; L164-Y214 WeakPolarHBondContact CD1-O 3.27Å; Q165-Y214 HydrophobicContact CB-CD2 3.8Å; Q165-Y214 HydrophobicContact CB-CG 4.16Å; Q165-Y214 HydrophobicContact CG-CD2 4.5Å; Q165-Y214 PolarHBondContact N-O 2.88Å; F179-Y214 HydrophobicContact CD2-CD2 4.1Å; F179-Y214 HydrophobicContact CD2-CE2 4.39Å; F179-Y214 HydrophobicContact CE2-CD1 4.34Å; F179-Y214 AromaticContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CD2 3.76Å; F179-Y214 HydrophobicContact CE2-CE1 4.41Å; F179-Y214 AromaticContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CE2 3.82Å; F179-Y214 HydrophobicContact CE2-CG 4.03Å; V211-Y214 HydrophobicContact CB-CD2 3.74Å; V211-Y214 HydrophobicContact CB-CE2 4.37Å; V211-Y214 HydrophobicContact CB-CG 4.41Å; V211-Y214 HydrophobicContact CG1-CD2 3.63Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.29Å; V211-Y214 HydrophobicContact CG2-CD2 4.34Å; V211-Y214 PolarHBondContact O-N 2.95Å | ||
| 215 | I | 94.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 23% | 0.226 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 19 | -176.1 | 52.1 | 158.1 | 0 | 0 | 0 | 113.8 | P116 P117 S163 V209 G212 D213 I217 | P116-I215 HydrophobicContact CB-CD1 3.88Å; P117-I215 HydrophobicContact CG-CB 3.75Å; P117-I215 HydrophobicContact CG-CG2 4.18Å; P117-I215 WeakPolarHBondContact CG-O 3.31Å; S163-I215 PolarHBondContact O-N 3.11Å; V209-I215 HydrophobicContact CB-CG2 4.37Å; V209-I215 HydrophobicContact CG1-CG2 3.8Å; V209-I215 HydrophobicContact CG2-CG2 4.33Å; G212-I215 WeakPolarHBondContact O-CG2 3.31Å; D213-I215 PolarHBondContact O-N 3.39Å; I215-I217 PolarHBondContact O-N 3.01Å |
| 216 | G | 95.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 18.9 | -170 | 0 | 0 | 0 | 0 | 0 | 117.3 | V159 Y160 A162 S163 | V159-G216 CarbonylContact C-O 3.52Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 2.94Å; Y160-G216 PolarHBondContact N-O 2.83Å; A162-G216 WeakPolarHBondContact O-CA 3.41Å; S163-G216 WeakPolarHBondContact O-CA 3.01Å; S163-G216 PolarHBondContact O-N 3.27Å |
| 217 | I | 96.2 | Very high | 94.3 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 136.1 | 178.1 | -164.6 | 169.3 | 0 | 0 | 0 | 110.8 | P117 L123 F125 A157 L164 I215 S225 | P117-I217 HydrophobicContact CB-CG2 4.28Å; P117-I217 HydrophobicContact CG-CG2 4Å; L123-I217 HydrophobicContact CD1-CG2 4.47Å; L123-I217 HydrophobicContact CD2-CD1 3.48Å; L123-I217 VanDerWaalsContact CD2-CD1 3.48Å; L123-I217 HydrophobicContact CD2-CG2 3.97Å; F125-I217 HydrophobicContact CE1-CD1 4.48Å; F125-I217 HydrophobicContact CZ-CD1 4.2Å; A157-I217 HydrophobicContact CB-CD1 4.1Å; A157-I217 HydrophobicContact CB-CG1 4.08Å; L164-I217 HydrophobicContact CD1-CB 3.79Å; L164-I217 HydrophobicContact CD2-CB 3.85Å; L164-I217 HydrophobicContact CD2-CG1 4.08Å; L164-I217 HydrophobicContact CG-CB 4.47Å; I215-I217 PolarHBondContact O-N 3.01Å; I217-S225 WeakPolarHBondContact CG1-OG 3.32Å |
| 218 | Y | 95.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 20% | 0.2 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.3 | -168.7 | -163.7 | -114.8 | 0 | 0 | 0 | 113.5 | T158 Y160 S225 | T158-Y218 WeakPolarHBondContact CB-O 3.45Å; T158-Y218 HydrophobicContact CG2-CD1 4.3Å; T158-Y218 PolarHBondContact O-N 3.23Å; Y160-Y218 AromaticContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD1 3.92Å; Y160-Y218 HydrophobicContact CD1-CD2 4.33Å; Y160-Y218 AromaticContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE1 3.74Å; Y160-Y218 HydrophobicContact CD1-CE2 4.22Å; Y160-Y218 HydrophobicContact CD1-CG 4.21Å; Y160-Y218 AromaticContact CD1-CZ 3.94Å; Y160-Y218 HydrophobicContact CE1-CE1 4.46Å; Y160-Y218 HydrophobicContact CG-CD1 4.26Å; Y160-Y218 HydrophobicContact CG-CE1 4.49Å; Y160-Y218 HydrophobicContact CG-CG 4.46Å; Y218-S225 PolarHBondContact O-OG 3.32Å |
| 219 | A | 96.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 26% | 0.262 | C | S | . | . | trans | -146.5 | 144.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | R110 T223 | R110-A219 HydrophobicContact CB-CB 4.06Å; A219-T223 CarbonylContact C-O 3.51Å; A219-T223 VanDerWaalsContact CA-O 3.3Å; A219-T223 WeakPolarHBondContact CA-O 3.45Å | ||
| 220 | S | 94.6 | Very high | 94.7 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -148.7 | 175.9 | 178.6 | 75.5 | 0 | 0 | 0 | 0 | 110.1 | E112 K222 T223 | E112-S220 WeakPolarHBondContact OE2-CA 3.34Å; S220-K222 PolarHBondContact O-N 3.18Å; S220-K222 PolarHBondContact OG-N 3.05Å; S220-T223 WeakPolarHBondContact CB-OG1 3.34Å; S220-T223 PolarHBondContact N-O 3.04Å; S220-T223 PolarHBondContact N-OG1 2.93Å; S220-T223 PolarHBondContact O-N 3.33Å; S220-T223 VanDerWaalsContact O-N 3.15Å; S220-T223 PolarHBondContact OG-N 3.26Å; S220-T223 PolarHBondContact OG-OG1 2.98Å |
| 221 | I | 94.2 | Very high | 95.2 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 74% | 0.738 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.1 | -33.2 | 173.9 | -58.9 | 173 | 0 | 0 | 0 | 113.7 | E112 | E112-I221 PolarHBondContact OE2-N 3.17Š|
| 222 | K | 95.3 | Very high | 95.6 | Very high | 187 Ų | 187 | 52.2 Ų | 52.2 | 81% | 0.813 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 6.6 | -175.6 | -63.9 | -61.3 | -61.1 | 179.1 | 0 | 114.5 | S220 | S220-K222 PolarHBondContact O-N 3.18Å; S220-K222 PolarHBondContact OG-N 3.05Å |
| 223 | T | 96.6 | Very high | 96 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 20% | 0.202 | 28% | 0.278 | C | S | . | . | B | Isolated β-bridge | trans | -141 | 131 | -178.4 | 64.4 | 0 | 0 | 0 | 0 | 110.1 | T158 A219 S220 | T158-T223 HydrophobicContact CG2-CG2 4.22Å; A219-T223 CarbonylContact C-O 3.51Å; A219-T223 VanDerWaalsContact CA-O 3.3Å; A219-T223 WeakPolarHBondContact CA-O 3.45Å; S220-T223 WeakPolarHBondContact CB-OG1 3.34Å; S220-T223 PolarHBondContact N-O 3.04Å; S220-T223 PolarHBondContact N-OG1 2.93Å; S220-T223 PolarHBondContact O-N 3.33Å; S220-T223 VanDerWaalsContact O-N 3.15Å; S220-T223 PolarHBondContact OG-N 3.26Å; S220-T223 PolarHBondContact OG-OG1 2.98Å |
| 224 | D | 97.8 | Very high | 96.2 | Very high | 67 Ų | 67 | 51.7 Ų | 51.7 | 36% | 0.358 | 26% | 0.257 | S | S | . | . | trans | -115.5 | 156 | 179.7 | -68 | -72 | 0 | 0 | 0 | 110.6 | K109 T158 T226 | K109-D224 HydrophobicContact CD-CB 4.47Å; K109-D224 WeakPolarHBondContact CD-OD1 3.39Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.81Å; K109-D224 PolarHBondContact NZ-OD1 3.23Å; K109-D224 IonicContact NZ-OD2 2.74Å; T158-D224 PolarHBondContact OG1-O 2.99Å; D224-T226 HydrophobicContact CB-CG2 4.21Å | ||
| 225 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -118.5 | 121.3 | 160.6 | -69.8 | 0 | 0 | 0 | 0 | 107.9 | K109 R110 F125 H156 A157 T158 I217 Y218 | K109-S225 CarbonylContact C-O 3.52Å; K109-S225 VanDerWaalsContact CA-O 3.23Å; K109-S225 WeakPolarHBondContact CA-O 3.5Å; K109-S225 WeakPolarHBondContact CB-O 3.48Å; R110-S225 PolarHBondContact N-O 3.44Å; F125-S225 WeakPolarHBondContact CD1-O 3.28Å; H156-S225 CarbonylContact O-C 3.59Å; H156-S225 VanDerWaalsContact O-CA 3.25Å; H156-S225 WeakPolarHBondContact O-CA 3.33Å; A157-S225 WeakPolarHBondContact CA-OG 2.97Å; T158-S225 PolarHBondContact N-OG 3.49Å; I217-S225 WeakPolarHBondContact CG1-OG 3.32Å; Y218-S225 PolarHBondContact O-OG 3.32Å | ||
| 226 | T | 98.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 54.4 Ų | 54.4 | 18% | 0.184 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.4 | -172.2 | 68 | 0 | 0 | 0 | 0 | 111.9 | A108 K109 V155 H156 D224 | A108-T226 CarbonylContact O-C 3.6Å; A108-T226 VanDerWaalsContact O-CA 3.28Å; A108-T226 WeakPolarHBondContact O-CA 3.33Å; K109-T226 HydrophobicContact CB-CG2 4Å; V155-T226 VanDerWaalsContact CA-O 3.31Å; V155-T226 WeakPolarHBondContact CA-O 3.2Å; H156-T226 PolarHBondContact N-O 3.41Å; H156-T226 PolarHBondContact O-N 3.49Å; D224-T226 HydrophobicContact CB-CG2 4.21Å |
| 227 | F | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.4 | 172 | 176.6 | -143.8 | 0 | 0 | 0 | 108.6 | F106 S107 A108 F125 Y136 F153 A154 V155 L168 V205 V207 | F106-F227 AromaticContact CE2-CD1 3.67Å; F106-F227 HydrophobicContact CE2-CD1 3.67Å; F106-F227 AromaticContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CE1 3.79Å; F106-F227 HydrophobicContact CE2-CG 4.11Å; F106-F227 HydrophobicContact CE2-CZ 4.32Å; F106-F227 AromaticContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD1 3.93Å; F106-F227 HydrophobicContact CZ-CD2 4.47Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.16Å; F106-F227 HydrophobicContact CZ-CG 4.37Å; F106-F227 AromaticContact CZ-CZ 3.7Å; F106-F227 HydrophobicContact CZ-CZ 3.7Å; S107-F227 WeakPolarHBondContact CA-O 3.44Å; A108-F227 PolarHBondContact N-O 3.46Å; A108-F227 PolarHBondContact O-N 3.47Å; F125-F227 HydrophobicContact CD1-CB 3.69Å; F125-F227 HydrophobicContact CD2-CB 3.69Å; F125-F227 HydrophobicContact CD2-CD1 4.03Å; F125-F227 HydrophobicContact CD2-CG 4.28Å; F125-F227 HydrophobicContact CE1-CB 3.7Å; F125-F227 HydrophobicContact CE2-CB 3.71Å; F125-F227 HydrophobicContact CE2-CD1 4.26Å; F125-F227 HydrophobicContact CE2-CG 4.25Å; F125-F227 HydrophobicContact CG-CB 3.7Å; F125-F227 HydrophobicContact CZ-CB 3.72Å; Y136-F227 HydrophobicContact CE2-CD1 4.1Å; Y136-F227 HydrophobicContact CE2-CE1 4.21Å; F153-F227 HydrophobicContact CB-CE2 4.22Å; F153-F227 AromaticContact CD1-CE2 3.76Å; F153-F227 HydrophobicContact CD1-CE2 3.76Å; F153-F227 AromaticContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CD1-CZ 3.81Å; F153-F227 HydrophobicContact CE1-CZ 4.34Å; F153-F227 HydrophobicContact CG-CE2 4.43Å; A154-F227 WeakPolarHBondContact O-CA 3.47Å; V155-F227 HydrophobicContact CG2-CD2 3.67Å; V155-F227 HydrophobicContact CG2-CE2 4.26Å; V155-F227 HydrophobicContact CG2-CG 4.39Å; L168-F227 HydrophobicContact CD2-CE2 3.75Å; L168-F227 HydrophobicContact CD2-CZ 4.3Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å; V207-F227 HydrophobicContact CG2-CB 4.46Å; V207-F227 HydrophobicContact CG2-CD1 3.94Å; V207-F227 HydrophobicContact CG2-CD2 3.73Å; V207-F227 HydrophobicContact CG2-CE1 4.03Å; V207-F227 HydrophobicContact CG2-CE2 3.83Å; V207-F227 HydrophobicContact CG2-CG 3.8Å; V207-F227 HydrophobicContact CG2-CZ 3.98Å |
| 228 | S | 98.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 65.5 Ų | 65.5 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147.2 | -177.1 | -55.2 | 0 | 0 | 0 | 0 | 109.8 | F106 S107 F153 A154 | F106-S228 WeakPolarHBondContact O-CA 3.5Å; S107-S228 WeakPolarHBondContact CB-OG 3.45Å; S107-S228 PolarHBondContact OG-OG 3.39Å; F153-S228 CarbonylContact C-O 3.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å; A154-S228 PolarHBondContact N-O 3.4Å; A154-S228 PolarHBondContact O-N 3.5Å |
| 229 | G | 98.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 143.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | A105 F106 Y152 | A105-G229 CarbonylContact C-O 3.52Å; A105-G229 VanDerWaalsContact CA-O 3.31Å; A105-G229 WeakPolarHBondContact CA-O 3.48Å; F106-G229 WeakPolarHBondContact CD1-O 3.22Å; F106-G229 PolarHBondContact N-O 3.35Å; F106-G229 PolarHBondContact O-N 3.38Å; Y152-G229 CarbonylContact O-C 3.55Å; Y152-G229 VanDerWaalsContact O-CA 3.23Å; Y152-G229 WeakPolarHBondContact O-CA 3.47Å |
| 230 | F | 98.6 | Very high | 86.3 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 40% | 0.399 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.4 | 177.2 | 59.2 | -91.5 | 0 | 0 | 0 | 112.8 | S104 A105 Y151 Y152 V232 | S104-F230 CarbonylContact O-C 3.56Å; S104-F230 VanDerWaalsContact O-CA 3.27Å; S104-F230 WeakPolarHBondContact O-CA 3.39Å; A105-F230 HydrophobicContact CB-CB 3.73Å; Y151-F230 CarbonylContact C-O 3.54Å; Y151-F230 VanDerWaalsContact CA-O 3.27Å; Y151-F230 WeakPolarHBondContact CA-O 3.23Å; Y151-F230 VanDerWaalsContact CD1-C 3.48Å; Y152-F230 AromaticContact CD1-CE1 3.57Å; Y152-F230 HydrophobicContact CD1-CE1 3.57Å; Y152-F230 AromaticContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CD1-CZ 3.63Å; Y152-F230 HydrophobicContact CE1-CE1 4.41Å; Y152-F230 HydrophobicContact CG-CE1 4.46Å; Y152-F230 HydrophobicContact CG-CZ 4.25Å; Y152-F230 PolarHBondContact N-O 2.84Å; Y152-F230 PolarHBondContact O-N 2.82Å; F230-V232 HydrophobicContact CD2-CG2 4.2Å; F230-V232 HydrophobicContact CE2-CG2 3.93Å |
| 231 | L | 97.8 | Very high | 84 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 14% | 0.136 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 125.8 | 171.4 | -180 | 70 | 0 | 0 | 0 | 109.6 | P102 S104 V147 Y151 Y233 | P102-L231 HydrophobicContact CG-CD2 4.2Å; P102-L231 WeakPolarHBondContact O-CD2 3.43Å; S104-L231 PolarHBondContact O-N 3.46Å; V147-L231 HydrophobicContact CB-CD2 4.29Å; V147-L231 HydrophobicContact CG1-CD2 3.71Å; Y151-L231 HydrophobicContact CD1-CB 4.14Å; Y151-L231 HydrophobicContact CD2-CD1 4.03Å; Y151-L231 HydrophobicContact CE1-CB 3.69Å; Y151-L231 HydrophobicContact CE1-CD1 4.16Å; Y151-L231 HydrophobicContact CE2-CD1 3.54Å; L231-Y233 WeakPolarHBondContact CD1-O 3.42Å |
| 232 | V | 96 | Very high | 81.6 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 42% | 0.424 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -47.2 | 176.8 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | V150 M196 F230 | V150-V232 WeakPolarHBondContact O-CB 3.43Å; V150-V232 PolarHBondContact O-N 3.11Å; M196-V232 HydrophobicContact CE-CG1 4.36Å; M196-V232 HydrophobicContact CE-CG2 4.17Å; F230-V232 HydrophobicContact CD2-CG2 4.2Å; F230-V232 HydrophobicContact CE2-CG2 3.93Å |
| 233 | Y | 91.6 | Very high | 79.2 | Confident | 127 Ų | 127 | 74.7 Ų | 74.7 | 50% | 0.498 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 146.4 | 170.9 | 63.1 | -97.4 | 0 | 0 | 0 | 110.4 | G149 V150 L231 D235 | G149-Y233 VanDerWaalsContact CA-O 3.29Å; G149-Y233 WeakPolarHBondContact CA-O 3.35Å; V150-Y233 HydrophobicContact CB-CD1 4.17Å; V150-Y233 HydrophobicContact CB-CE1 3.63Å; V150-Y233 HydrophobicContact CB-CE2 4.05Å; V150-Y233 HydrophobicContact CG1-CE1 4.19Å; V150-Y233 HydrophobicContact CG2-CE1 3.89Å; V150-Y233 HydrophobicContact CG2-CE2 3.74Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.34Å; V150-Y233 PolarHBondContact N-O 3.3Å; L231-Y233 WeakPolarHBondContact CD1-O 3.42Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.3Å |
| 234 | S | 91.6 | Very high | 78.3 | Confident | 40 Ų | 40 | 76.8 Ų | 76.8 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 144.8 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 112.1 | P148 W236 | P148-S234 CarbonylContact O-C 3.59Å; P148-S234 VanDerWaalsContact O-CA 3.31Å; P148-S234 WeakPolarHBondContact O-CA 3.37Å; S234-W236 VanDerWaalsContact C-N 3.27Å; S234-W236 PolarHBondContact O-N 3.45Å |
| 235 | D | 85.2 | Confident | 77.3 | Confident | 32 Ų | 32 | 77.3 Ų | 77.3 | 17% | 0.171 | 43% | 0.432 | C | S | . | . | trans | -89.8 | 12.7 | 172.7 | -69.8 | -21.5 | 0 | 0 | 0 | 112.9 | P148 R198 Y233 H237 | P148-D235 HydrophobicContact CB-CB 4.45Å; P148-D235 PolarHBondContact O-N 2.92Å; R198-D235 IonicContact CZ-OD2 3.13Å; R198-D235 IonicContact NE-OD2 2.73Å; R198-D235 PolarHBondContact NE-OD2 3.45Å; R198-D235 IonicContact NH2-OD2 2.82Å; R198-D235 PolarHBondContact NH2-OD2 3.48Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.33Å | ||
| 236 | W | 72.2 | Confident | 76.1 | Confident | 161 Ų | 161 | 81.6 Ų | 81.6 | 61% | 0.61 | 46% | 0.456 | S | S | * | . | trans | -66.3 | 87.8 | 168.5 | -80.3 | -7.9 | 0 | 0 | 0 | 109.6 | P102 P148 S234 S238 | P102-W236 HydrophobicContact CB-CE3 4.32Å; P102-W236 HydrophobicContact CB-CZ3 4.01Å; P102-W236 HydrophobicContact CG-CE3 4.04Å; P102-W236 HydrophobicContact CG-CZ3 4.24Å; P148-W236 VanDerWaalsContact CG-CD1 3.43Å; P148-W236 HydrophobicContact CG-CG 4.41Å; S234-W236 VanDerWaalsContact C-N 3.27Å; S234-W236 PolarHBondContact O-N 3.45Å; W236-S238 PolarHBondContact O-N 3.22Å | ||
| 237 | H | 62.4 | Low | 74.8 | Confident | 126 Ų | 126 | 84.6 Ų | 84.6 | 58% | 0.583 | 47% | 0.472 | S | S | * | . | trans | -64.6 | 122.1 | 165.2 | -62.4 | 77.7 | 0 | 0 | 0 | 106.7 | D235 S239 | D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.33Å; H237-S239 PolarHBondContact O-N 3.44Å | ||
| 238 | S | 53.6 | Low | 73.3 | Confident | 128 Ų | 128 | 89.9 Ų | 89.9 | 90% | 0.895 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -60.7 | 84.6 | 162.7 | 24.7 | 0 | 0 | 0 | 0 | 107.9 | W236 | W236-S238 PolarHBondContact O-N 3.22Š|
| 239 | S | 41.4 | Very low | 71.6 | Confident | 59 Ų | 59 | 94 Ų | 94 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | trans | 77.1 | 99.3 | -172 | -138.6 | 0 | 0 | 0 | 0 | 115 | H237 V241 | H237-S239 PolarHBondContact O-N 3.44Å; S239-V241 PolarHBondContact O-N 3.39Å | ||
| 240 | P | 49.2 | Very low | 69.6 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 68% | 0.682 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -1.9 | 169.3 | 27.4 | -33.9 | 0 | 0 | 0 | 113.4 | ||
| 241 | V | 47.7 | Very low | 67.4 | Low | 113 Ų | 113 | 101.4 Ų | 101.4 | 69% | 0.685 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -10.7 | -174.3 | -175.9 | 0 | 0 | 0 | 0 | 113 | S239 | S239-V241 PolarHBondContact O-N 3.39Š|
| 242 | F | 43.5 | Very low | 64.9 | Low | 182 Ų | 182 | 107.7 Ų | 107.7 | 80% | 0.798 | 61% | 0.606 | S | S | * | * | trans | -120.6 | 14.8 | -174 | -73.3 | -74.2 | 0 | 0 | 0 | 115.7 | ||||
| 243 | A | 43.9 | Very low | 62 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 100% | 1.231 | 62% | 0.622 | S | S | * | * | trans | -97.7 | 0 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 243 of 243 residues in 140.3 ms
(Link to these results)