| 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 | 43.7 | Very low | 42.7 | Very low | 241 Ų | 241 | 153.3 Ų | 153.3 | 100% | 1.187 | 82% | 0.819 | S | S | * | * | 0 | 138.5 | 0 | -73.8 | -176 | -164.6 | 0 | 0 | 108.4 | |||||
| 2 | R | 39.8 | Very low | 42.4 | Very low | 241 Ų | 241 | 155 Ų | 155 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | 84.6 | 138.4 | 176.4 | -68.2 | -175.5 | 169.1 | -179 | -2.9 | 116.3 | ||||
| 3 | P | 47.7 | Very low | 41.9 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | -130.7 | 173.9 | -97.4 | 29.9 | -9.1 | 0 | 0 | 0 | 114.7 | |||||
| 4 | L | 46.1 | Very low | 41.7 | Very low | 155 Ų | 155 | 147.1 Ų | 147.1 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | trans | -37.4 | 133.9 | 164 | -89.9 | 70.6 | 0 | 0 | 0 | 113.6 | V6 | L4-V6 HydrophobicContact CD2-CG2 4.3Š| ||
| 5 | L | 41.2 | Very low | 41.2 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | trans | -125.3 | 110.4 | 146.5 | -157.4 | 81.5 | 0 | 0 | 0 | 108.7 | ||||
| 6 | V | 47.8 | Very low | 41.2 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 64% | 0.642 | 81% | 0.812 | S | S | * | * | trans | -72.7 | 129.3 | 173.2 | 171.5 | 0 | 0 | 0 | 0 | 108.4 | L4 L8 | L4-V6 HydrophobicContact CD2-CG2 4.3Å; V6-L8 HydrophobicContact CG1-CB 4.34Å | ||
| 7 | L | 41.6 | Very low | 41.3 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -130.9 | 86.2 | 160.4 | -151.1 | 82 | 0 | 0 | 0 | 108.6 | L9 | L7-L9 HydrophobicContact CD2-CD1 3.98Å; L7-L9 PolarHBondContact O-N 3.44Å | ||
| 8 | L | 42.8 | Very low | 41.2 | Very low | 141 Ų | 141 | 136 Ų | 136 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -81.3 | 94.7 | 172.5 | -158.3 | 89.8 | 0 | 0 | 0 | 107.8 | V6 L10 | V6-L8 HydrophobicContact CG1-CB 4.34Å; L8-L10 HydrophobicContact CD2-CD1 3.47Å; L8-L10 VanDerWaalsContact CD2-CD1 3.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å; L8-L10 PolarHBondContact O-N 3.38Å | ||
| 9 | L | 41.6 | Very low | 41.3 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -79.7 | 93.7 | 171 | -90.2 | 146.3 | 0 | 0 | 0 | 109 | L7 G11 | L7-L9 HydrophobicContact CD2-CD1 3.98Å; L7-L9 PolarHBondContact O-N 3.44Å; L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | L | 40.8 | Very low | 41.3 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 74% | 0.738 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 97.3 | 162.1 | -105 | 90 | 0 | 0 | 0 | 108.5 | L8 L12 | L8-L10 HydrophobicContact CD2-CD1 3.47Å; L8-L10 VanDerWaalsContact CD2-CD1 3.47Å; L8-L10 HydrophobicContact CG-CD1 4.15Å; L8-L10 PolarHBondContact O-N 3.38Å; L10-L12 PolarHBondContact O-N 3.44Å | ||
| 11 | G | 37.2 | Very low | 41.5 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | -73.6 | 107.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L9 A13 | L9-G11 PolarHBondContact O-N 3.08Å; L9-G11 VanDerWaalsContact O-N 3.15Å; G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å | ||
| 12 | L | 39.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 131.9 Ų | 131.9 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | -65.3 | 90.2 | 162.6 | -87.7 | 137.7 | 0 | 0 | 0 | 108.5 | L10 A14 | L10-L12 PolarHBondContact O-N 3.44Å; L12-A14 PolarHBondContact O-N 3.48Å; L12-A14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | A | 35.9 | Very low | 41.5 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -73.6 | 97.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | G11 G15 | G11-A13 VanDerWaalsContact C-N 3.29Å; G11-A13 PolarHBondContact O-N 3.44Å; A13-G15 PolarHBondContact O-N 3.47Å | ||
| 14 | A | 38.4 | Very low | 41.3 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | -66.6 | 85.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108 | L12 S16 | L12-A14 PolarHBondContact O-N 3.48Å; L12-A14 VanDerWaalsContact O-N 3.16Å; A14-S16 PolarHBondContact O-N 3.4Å | ||
| 15 | G | 35.1 | Very low | 41.1 | Very low | 66 Ų | 66 | 128.9 Ų | 128.9 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -66.8 | 112 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | A13 | A13-G15 PolarHBondContact O-N 3.47Š| ||
| 16 | S | 40.8 | Very low | 41.6 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 132.3 | 160.4 | 46.4 | 0 | 0 | 0 | 0 | 108.3 | A14 | A14-S16 PolarHBondContact O-N 3.4Š|
| 17 | P | 41.8 | Very low | 41.6 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142 | 173.2 | 25.9 | -31.9 | 0 | 0 | 0 | 108.5 | L19 | P17-L19 PolarHBondContact O-N 3.48Š|
| 18 | P | 40.3 | Very low | 42.3 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 128 | 165.8 | 25.3 | -31.4 | 0 | 0 | 0 | 106.9 | D20 | P18-D20 PolarHBondContact O-N 3.4Š|
| 19 | L | 42.8 | Very low | 42.9 | Very low | 153 Ų | 153 | 125 Ų | 125 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | trans | -61.4 | 106 | 169.8 | -72.5 | 165.4 | 0 | 0 | 0 | 105.8 | P17 D21 | P17-L19 PolarHBondContact O-N 3.48Å; L19-D21 PolarHBondContact O-N 3.43Å | ||
| 20 | D | 41.9 | Very low | 43.5 | Very low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -61.3 | 91.9 | 169.5 | -83.9 | -41.7 | 0 | 0 | 0 | 107.7 | P18 N22 | P18-D20 PolarHBondContact O-N 3.4Å; D20-N22 PolarHBondContact O-N 3.45Å | ||
| 21 | D | 44.7 | Very low | 44.2 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 67% | 0.674 | 75% | 0.745 | S | S | * | * | trans | -70.5 | 33.9 | 178.7 | -92.2 | -9.9 | 0 | 0 | 0 | 113.2 | L19 | L19-D21 PolarHBondContact O-N 3.43Š| ||
| 22 | N | 46.5 | Very low | 45.3 | Very low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 75% | 0.748 | S | S | * | * | trans | -118.6 | 23.7 | -179.1 | -83.6 | -21.5 | 0 | 0 | 0 | 113.8 | D20 | D20-N22 PolarHBondContact O-N 3.45Š| ||
| 23 | K | 37.7 | Very low | 46.2 | Very low | 198 Ų | 198 | 116.6 Ų | 116.6 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | -115.1 | 49 | 169.1 | -96.1 | -174.6 | 178.6 | 179.3 | 0 | 112.8 | P25 | K23-P25 WeakPolarHBondContact O-CD 3.43Š| ||
| 24 | I | 44 | Very low | 47.7 | Very low | 148 Ų | 148 | 118.7 Ų | 118.7 | 76% | 0.759 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -81.6 | 114.8 | 147.6 | -56.9 | 175.2 | 0 | 0 | 0 | 105.3 | S26 | I24-S26 PolarHBondContact O-N 3.48Š|
| 25 | P | 41.7 | Very low | 49 | Very low | 109 Ų | 109 | 119.5 Ų | 119.5 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | trans | -60 | 111.1 | 175.4 | -16.7 | 29.9 | 0 | 0 | 0 | 108.3 | K23 L27 | K23-P25 WeakPolarHBondContact O-CD 3.43Å; P25-L27 PolarHBondContact O-N 3.5Å; P25-L27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | S | 50.7 | Low | 50.3 | Low | 88 Ų | 88 | 118.1 Ų | 118.1 | 62% | 0.615 | 70% | 0.703 | S | S | * | * | trans | -57.9 | 112.1 | 176.6 | 48.6 | 0 | 0 | 0 | 0 | 110 | I24 C28 | I24-S26 PolarHBondContact O-N 3.48Å; S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact O-N 3.37Å | ||
| 27 | L | 48.6 | Very low | 51.6 | Low | 164 Ų | 164 | 118.1 Ų | 118.1 | 86% | 0.859 | 70% | 0.699 | S | S | * | * | trans | -88.7 | 43.2 | -179.2 | -85.5 | 164 | 0 | 0 | 0 | 112.7 | P25 P29 | P25-L27 PolarHBondContact O-N 3.5Å; P25-L27 VanDerWaalsContact O-N 3.12Å; L27-P29 WeakPolarHBondContact O-CD 3.1Å | ||
| 28 | C | 55.9 | Low | 52.8 | Low | 105 Ų | 105 | 119.1 Ų | 119.1 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | trans | -111.1 | 100.4 | 179.5 | -60.7 | 0 | 0 | 0 | 0 | 110 | S26 G30 | S26-C28 VanDerWaalsContact C-N 3.29Å; S26-C28 PolarHBondContact O-N 3.37Å; C28-G30 PolarHBondContact O-N 3.41Å | ||
| 29 | P | 54.6 | Low | 53.9 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 81% | 0.812 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 133 | 169.6 | -19 | 30.8 | 0 | 0 | 0 | 109.7 | L27 | L27-P29 WeakPolarHBondContact O-CD 3.1Š|
| 30 | G | 54.2 | Low | 55 | Low | 50 Ų | 50 | 116.7 Ų | 116.7 | 52% | 0.515 | 69% | 0.689 | S | S | . | * | P | Polyproline II helix | trans | -59.7 | 160.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | C28 | C28-G30 PolarHBondContact O-N 3.41Š|
| 31 | H | 56.7 | Low | 56.2 | Low | 147 Ų | 147 | 118.9 Ų | 118.9 | 68% | 0.681 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 143.2 | 174.8 | -65.1 | 85.1 | 0 | 0 | 0 | 110.3 | G33 | H31-G33 PolarHBondContact O-N 3.22Š|
| 32 | P | 60.1 | Low | 57 | Low | 126 Ų | 126 | 114.8 Ų | 114.8 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 136.5 | 170.5 | -24.2 | 33.6 | 0 | 0 | 0 | 110.7 | ||
| 33 | G | 58 | Low | 57.9 | Low | 38 Ų | 38 | 112.9 Ų | 112.9 | 39% | 0.392 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 158.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H31 | H31-G33 PolarHBondContact O-N 3.22Š|
| 34 | L | 67.7 | Low | 59.3 | Low | 142 Ų | 142 | 112.6 Ų | 112.6 | 74% | 0.743 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 142.8 | 175.9 | -68.9 | 170 | 0 | 0 | 0 | 110.6 | G36 | L34-G36 PolarHBondContact O-N 3.32Š|
| 35 | P | 65.1 | Low | 60.1 | Low | 120 Ų | 120 | 107.2 Ų | 107.2 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 140.1 | 170.6 | -24 | 33.5 | 0 | 0 | 0 | 111.3 | ||
| 36 | G | 62.7 | Low | 61.4 | Low | 37 Ų | 37 | 109.4 Ų | 109.4 | 38% | 0.381 | 67% | 0.668 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 156.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L34 | L34-G36 PolarHBondContact O-N 3.32Š|
| 37 | T | 68 | Low | 62.4 | Low | 105 Ų | 105 | 110.9 Ų | 110.9 | 64% | 0.644 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 148.6 | 176 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 38 | P | 67.4 | Low | 63.2 | Low | 126 Ų | 126 | 105.2 Ų | 105.2 | 82% | 0.818 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 141.5 | 172.1 | -24.4 | 34.1 | 0 | 0 | 0 | 112 | ||
| 39 | G | 62.1 | Low | 63.9 | Low | 36 Ų | 36 | 111.7 Ų | 111.7 | 37% | 0.371 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 157.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E85 | G39-E85 WeakPolarHBondContact CA-O 3.43Š|
| 40 | H | 67.1 | Low | 64.9 | Low | 177 Ų | 177 | 113.5 Ų | 113.5 | 82% | 0.819 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 151 | 177 | -65.7 | -70.9 | 0 | 0 | 0 | 112 | ||
| 41 | H | 66.6 | Low | 65.6 | Low | 190 Ų | 190 | 114.5 Ų | 114.5 | 88% | 0.88 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -61 | 138.1 | 172.8 | -66.3 | -64.9 | 0 | 0 | 0 | 110.7 | ||
| 42 | G | 61.7 | Low | 66.3 | Low | 41 Ų | 41 | 119.3 Ų | 119.3 | 42% | 0.423 | 69% | 0.691 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 153.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 43 | S | 64.9 | Low | 66.9 | Low | 99 Ų | 99 | 120.8 Ų | 120.8 | 69% | 0.692 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 150.6 | 175.9 | 55 | 0 | 0 | 0 | 0 | 111.8 | G45 | S43-G45 PolarHBondContact O-N 3.4Š|
| 44 | Q | 66.7 | Low | 67.4 | Low | 191 Ų | 191 | 122.3 Ų | 122.3 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 136.9 | 173.6 | -172.5 | 175.2 | -14.7 | 0 | 0 | 110.7 | ||
| 45 | G | 61.3 | Low | 67.5 | Low | 36 Ų | 36 | 127.4 Ų | 127.4 | 37% | 0.371 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 153.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S43 | S43-G45 PolarHBondContact O-N 3.4Š|
| 46 | L | 69.8 | Low | 67.8 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -63 | 148.3 | 177.7 | -66.6 | 170.1 | 0 | 0 | 0 | 111.1 | ||
| 47 | P | 70.2 | Confident | 67.9 | Low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 146.3 | 170.6 | -23.9 | 33.9 | 0 | 0 | 0 | 111.9 | ||
| 48 | G | 66.9 | Low | 67.5 | Low | 45 Ų | 45 | 130.6 Ų | 130.6 | 46% | 0.464 | 75% | 0.746 | S | S | . | * | P | Polyproline II helix | trans | -60.1 | 150.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 49 | R | 70.8 | Confident | 67.1 | Low | 241 Ų | 241 | 131.3 Ų | 131.3 | 91% | 0.909 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 146.2 | 172.7 | -77.9 | -178.1 | 162.8 | 179.3 | -5.2 | 110.6 | ||
| 50 | D | 74.3 | Confident | 66.8 | Low | 162 Ų | 162 | 133.1 Ų | 133.1 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 145.8 | 173.8 | -62.4 | -30.7 | 0 | 0 | 0 | 111.3 | ||
| 51 | G | 68.6 | Low | 66.1 | Low | 71 Ų | 71 | 129.3 Ų | 129.3 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 145.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 52 | R | 71.4 | Confident | 65.7 | Low | 248 Ų | 248 | 126.9 Ų | 126.9 | 94% | 0.936 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 139.9 | 173.5 | -64.4 | -177 | -171.4 | 171.9 | 2.8 | 109.4 | ||
| 53 | D | 74.5 | Confident | 65.2 | Low | 158 Ų | 158 | 128.5 Ų | 128.5 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 143.2 | 173.8 | -61.7 | -32.2 | 0 | 0 | 0 | 111.1 | ||
| 54 | G | 68.6 | Low | 64.6 | Low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 140.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 55 | R | 68.8 | Low | 64 | Low | 249 Ų | 249 | 134.3 Ų | 134.3 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 137.1 | 174.2 | -68.1 | -178.1 | -174.9 | 167.5 | 1 | 109.6 | G57 | R55-G57 PolarHBondContact O-N 2.76Š|
| 56 | D | 70.4 | Confident | 63.9 | Low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 134.3 | 173.9 | -63.4 | -29.5 | 0 | 0 | 0 | 110.7 | ||
| 57 | G | 65.6 | Low | 63.5 | Low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R55 | R55-G57 PolarHBondContact O-N 2.76Š|
| 58 | A | 59.6 | Low | 63.3 | Low | 97 Ų | 97 | 135.4 Ų | 135.4 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 144.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G60 | A58-G60 PolarHBondContact O-N 3.3Š|
| 59 | P | 60.1 | Low | 63.1 | Low | 140 Ų | 140 | 137 Ų | 137 | 91% | 0.909 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 131 | -176.5 | -18.1 | 30.6 | 0 | 0 | 0 | 112.6 | ||
| 60 | G | 54.8 | Low | 62.9 | Low | 75 Ų | 75 | 136.7 Ų | 136.7 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | trans | -130.7 | 150.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | A58 | A58-G60 PolarHBondContact O-N 3.3Š| ||
| 61 | A | 51.6 | Low | 62.7 | Low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -65.7 | 161.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 62 | P | 58.2 | Low | 62.5 | Low | 139 Ų | 139 | 134.8 Ų | 134.8 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | -77.7 | 135.5 | -158.3 | -9.2 | 24.7 | 0 | 0 | 0 | 115.3 | ||||
| 63 | G | 52.6 | Low | 62.5 | Low | 75 Ų | 75 | 130.9 Ų | 130.9 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | 164.2 | 125.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 64 | E | 52 | Low | 62.2 | Low | 199 Ų | 199 | 129.1 Ų | 129.1 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | 55.4 | 130 | 177.4 | -63.6 | -154.1 | 137.2 | 0 | 0 | 120.5 | G66 | E64-G66 PolarHBondContact O-N 3.25Å; E64-G66 VanDerWaalsContact O-N 3.08Å | ||
| 65 | K | 54.2 | Low | 62.1 | Low | 214 Ų | 214 | 128.4 Ų | 128.4 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -65.4 | 104.4 | -175.1 | -173.9 | -178.5 | -174 | -178.5 | 0 | 110.4 | ||||
| 66 | G | 59.6 | Low | 62.2 | Low | 64 Ų | 64 | 122 Ų | 122 | 66% | 0.66 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E64 | E64-G66 PolarHBondContact O-N 3.25Å; E64-G66 VanDerWaalsContact O-N 3.08Å |
| 67 | E | 60.5 | Low | 62.1 | Low | 196 Ų | 196 | 125.8 Ų | 125.8 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 140.5 | 171.1 | -67.9 | -174.7 | 145.4 | 0 | 0 | 110.6 | G69 | E67-G69 PolarHBondContact O-N 2.74Š|
| 68 | G | 65.9 | Low | 62.1 | Low | 73 Ų | 73 | 124.1 Ų | 124.1 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 136.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R70 | G68-R70 PolarHBondContact O-N 3.15Š|
| 69 | G | 63 | Low | 62.7 | Low | 77 Ų | 77 | 127.8 Ų | 127.8 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 134.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | E67 | E67-G69 PolarHBondContact O-N 2.74Š|
| 70 | R | 66.6 | Low | 63.1 | Low | 235 Ų | 235 | 127.2 Ų | 127.2 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 141.5 | 178.5 | -66.5 | -177.6 | 178.2 | -168.6 | -0.9 | 109.6 | G68 G72 | G68-R70 PolarHBondContact O-N 3.15Å; R70-G72 PolarHBondContact O-N 3.44Å |
| 71 | P | 69.7 | Low | 63.7 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 141.1 | 172.9 | -26.1 | 33.6 | 0 | 0 | 0 | 111.2 | ||
| 72 | G | 65.1 | Low | 64.7 | Low | 72 Ų | 72 | 125.8 Ų | 125.8 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 146.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | R70 | R70-G72 PolarHBondContact O-N 3.44Š|
| 73 | L | 70.4 | Confident | 65.3 | Low | 166 Ų | 166 | 131 Ų | 131 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.7 | 176 | -67.7 | 170.7 | 0 | 0 | 0 | 110 | G75 | L73-G75 PolarHBondContact O-N 3.38Š|
| 74 | P | 68.6 | Low | 65.9 | Low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 139.9 | 171.2 | -25.2 | 33.8 | 0 | 0 | 0 | 111.2 | ||
| 75 | G | 67.4 | Low | 67.1 | Low | 54 Ų | 54 | 127.9 Ų | 127.9 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 154.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | L73 | L73-G75 PolarHBondContact O-N 3.38Š|
| 76 | P | 70.9 | Confident | 67.9 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 145.5 | 177.3 | 26.4 | -33.6 | 0 | 0 | 0 | 110.8 | G78 | P76-G78 PolarHBondContact O-N 3.27Š|
| 77 | R | 68.8 | Low | 68.3 | Low | 241 Ų | 241 | 120.7 Ų | 120.7 | 91% | 0.909 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.9 | 172.5 | -175.9 | 179.5 | 177.6 | 173.3 | 0.7 | 109 | ||
| 78 | G | 64.6 | Low | 69.1 | Low | 37 Ų | 37 | 116.5 Ų | 116.5 | 38% | 0.381 | 71% | 0.705 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 150.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P76 | P76-G78 PolarHBondContact O-N 3.27Š|
| 79 | E | 71.8 | Confident | 69.5 | Low | 174 Ų | 174 | 117.7 Ų | 117.7 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 147.1 | 179.1 | -65.2 | -169.1 | 157.7 | 0 | 0 | 111.3 | G81 | E79-G81 PolarHBondContact O-N 2.93Š|
| 80 | P | 68.6 | Low | 69.7 | Low | 127 Ų | 127 | 115.3 Ų | 115.3 | 83% | 0.825 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 137.1 | 169.6 | -22.9 | 33.4 | 0 | 0 | 0 | 110.7 | ||
| 81 | G | 67.7 | Low | 70.3 | Confident | 34 Ų | 34 | 109.4 Ų | 109.4 | 35% | 0.351 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -59.6 | 155.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E79 | E79-G81 PolarHBondContact O-N 2.93Š|
| 82 | P | 72.9 | Confident | 70.6 | Confident | 108 Ų | 108 | 110 Ų | 110 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 150.3 | 177.8 | 26.1 | -34 | 0 | 0 | 0 | 111.1 | G84 | P82-G84 PolarHBondContact O-N 3.01Š|
| 83 | R | 70.6 | Confident | 70.6 | Confident | 248 Ų | 248 | 107.7 Ų | 107.7 | 94% | 0.936 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 132.7 | 171.8 | -175.3 | 179.5 | 178.1 | 171.2 | 0.4 | 108.7 | ||
| 84 | G | 65.9 | Low | 70.5 | Confident | 32 Ų | 32 | 105.4 Ų | 105.4 | 33% | 0.33 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -58.8 | 151.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P82 | P82-G84 PolarHBondContact O-N 3.01Š|
| 85 | E | 75.4 | Confident | 70.1 | Confident | 177 Ų | 177 | 104 Ų | 104 | 83% | 0.827 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 151.7 | 178.8 | -63.7 | -174.5 | 162.9 | 0 | 0 | 111.6 | G39 G87 | G39-E85 WeakPolarHBondContact CA-O 3.43Å; E85-G87 PolarHBondContact O-N 3.43Å |
| 86 | A | 71.3 | Confident | 69.7 | Low | 99 Ų | 99 | 103.5 Ų | 103.5 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -63 | 136.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 87 | G | 68.4 | Low | 69 | Low | 28 Ų | 28 | 107.2 Ų | 107.2 | 29% | 0.289 | 65% | 0.648 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 157.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E85 | E85-G87 PolarHBondContact O-N 3.43Š|
| 88 | P | 76.7 | Confident | 68.3 | Low | 108 Ų | 108 | 99.5 Ų | 99.5 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 151.1 | 176.2 | 26.8 | -34.3 | 0 | 0 | 0 | 110.7 | G90 | P88-G90 PolarHBondContact O-N 3.13Š|
| 89 | A | 74.6 | Confident | 67.8 | Low | 98 Ų | 98 | 103 Ų | 103 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 90 | G | 68.8 | Low | 67.4 | Low | 26 Ų | 26 | 99.7 Ų | 99.7 | 27% | 0.268 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 157.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P88 | P88-G90 PolarHBondContact O-N 3.13Š|
| 91 | P | 77.8 | Confident | 67.3 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 72% | 0.721 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147 | 174.5 | 26.8 | -34.1 | 0 | 0 | 0 | 110.3 | G93 | P91-G93 PolarHBondContact O-N 3.39Š|
| 92 | T | 76.1 | Confident | 68 | Low | 134 Ų | 134 | 98.2 Ų | 98.2 | 82% | 0.822 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 134.2 | 169.2 | -50.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 93 | G | 65.5 | Low | 68.9 | Low | 25 Ų | 25 | 99.5 Ų | 99.5 | 26% | 0.258 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -58 | 157.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | P91 | P91-G93 PolarHBondContact O-N 3.39Š|
| 94 | P | 67.6 | Low | 70.1 | Confident | 117 Ų | 117 | 88 Ų | 88 | 76% | 0.76 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 147.5 | 172.8 | 25.7 | -33.4 | 0 | 0 | 0 | 110 | G96 | P94-G96 PolarHBondContact O-N 2.83Š|
| 95 | A | 61.4 | Low | 71.6 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 75% | 0.752 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 132.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | E97 | A95-E97 PolarHBondContact O-N 3.27Š|
| 96 | G | 58.7 | Low | 72.7 | Confident | 43 Ų | 43 | 80 Ų | 80 | 44% | 0.443 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 135.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P94 C98 | P94-G96 PolarHBondContact O-N 2.83Å; G96-C98 PolarHBondContact O-N 3.29Å |
| 97 | E | 55.9 | Low | 74 | Confident | 193 Ų | 193 | 76.2 Ų | 76.2 | 90% | 0.902 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 121.6 | 173.5 | -68.4 | -176 | 172.6 | 0 | 0 | 108.6 | A95 S99 | A95-E97 PolarHBondContact O-N 3.27Å; E97-S99 PolarHBondContact O-N 2.78Å |
| 98 | C | 53.2 | Low | 75.5 | Confident | 80 Ų | 80 | 74.9 Ų | 74.9 | 54% | 0.541 | 49% | 0.488 | S | S | . | . | trans | -66.9 | 102.4 | 169.2 | -80.2 | 0 | 0 | 0 | 0 | 108.2 | G96 V100 | G96-C98 PolarHBondContact O-N 3.29Å; C98-V100 VanDerWaalsContact C-N 3.3Å; C98-V100 PolarHBondContact O-N 2.95Å | ||
| 99 | S | 55.8 | Low | 76.5 | Confident | 111 Ų | 111 | 71.5 Ų | 71.5 | 78% | 0.776 | 46% | 0.462 | S | S | * | . | trans | -67.8 | 94.5 | 164.1 | 52.1 | 0 | 0 | 0 | 0 | 107.7 | E97 P101 | E97-S99 PolarHBondContact O-N 2.78Å; S99-P101 WeakPolarHBondContact O-CD 3.43Å | ||
| 100 | V | 62.7 | Low | 77.4 | Confident | 103 Ų | 103 | 68.1 Ų | 68.1 | 62% | 0.624 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 120.3 | 167.4 | -178.2 | 0 | 0 | 0 | 0 | 106.1 | C98 | C98-V100 VanDerWaalsContact C-N 3.3Å; C98-V100 PolarHBondContact O-N 2.95Å |
| 101 | P | 67.1 | Low | 78.6 | Confident | 94 Ų | 94 | 68.7 Ų | 68.7 | 61% | 0.61 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 136.5 | -179.5 | 21.4 | -30.6 | 0 | 0 | 0 | 108.6 | S99 R103 | S99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-R103 PolarHBondContact O-N 3.32Å |
| 102 | P | 82.2 | Confident | 79.3 | Confident | 36 Ų | 36 | 68.9 Ų | 68.9 | 23% | 0.234 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 135.1 | -177.2 | 25.8 | -34.4 | 0 | 0 | 0 | 109.7 | V147 L231 S234 W236 | P102-V147 HydrophobicContact CB-CB 4.48Å; P102-V147 HydrophobicContact CB-CG1 3.66Å; P102-V147 HydrophobicContact CB-CG2 4.05Å; P102-V147 HydrophobicContact CG-CG1 3.87Å; P102-L231 HydrophobicContact CB-CD2 4.34Å; P102-L231 HydrophobicContact CG-CD2 4.13Å; P102-L231 WeakPolarHBondContact O-CD2 3.41Å; P102-S234 VanDerWaalsContact CG-CB 3.45Å; P102-S234 WeakPolarHBondContact CG-OG 3.42Å; P102-W236 HydrophobicContact CB-CE3 4.39Å; P102-W236 HydrophobicContact CB-CZ3 4.34Å; P102-W236 HydrophobicContact CG-CE3 4.35Å |
| 103 | R | 90.4 | Very high | 79.7 | Confident | 135 Ų | 135 | 65.1 Ų | 65.1 | 51% | 0.509 | 40% | 0.399 | S | S | . | . | trans | -109 | 135.7 | -179.5 | -59.5 | -177 | -175.8 | -177.7 | 1.1 | 109 | P101 Q133 | P101-R103 PolarHBondContact O-N 3.32Å; R103-Q133 WeakPolarHBondContact O-CG 3.49Å | ||
| 104 | S | 96.6 | Very high | 80.3 | Confident | 6 Ų | 6 | 76.1 Ų | 76.1 | 4% | 0.042 | 43% | 0.432 | C | S | . | . | trans | -158 | 108.1 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | H135 Y151 F230 L231 | S104-H135 PolarHBondContact OG-ND1 2.84Å; S104-Y151 WeakPolarHBondContact OG-CE1 3.47Å; S104-Y151 PolarHBondContact OG-OH 3.2Å; S104-F230 CarbonylContact O-C 3.49Å; S104-F230 VanDerWaalsContact O-CA 3.3Å; S104-F230 WeakPolarHBondContact O-CA 3.24Å; S104-L231 PolarHBondContact O-N 3.4Å | ||
| 105 | A | 98 | Very high | 81.1 | Confident | 37 Ų | 37 | 77 Ų | 77 | 31% | 0.306 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 147 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q133 G229 F230 | A105-Q133 PolarHBondContact O-OE1 3.45Å; A105-G229 CarbonylContact C-O 3.53Å; A105-G229 WeakPolarHBondContact CA-O 3.27Å; A105-F230 HydrophobicContact CB-CB 3.76Å |
| 106 | F | 98.7 | Very high | 82.2 | Confident | 5 Ų | 5 | 77.3 Ų | 77.3 | 2% | 0.022 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157.2 | 168.9 | 75.3 | -78.5 | 0 | 0 | 0 | 110.9 | V130 N131 Y136 F143 F153 F227 S228 G229 | F106-V130 CarbonylContact C-O 3.53Å; F106-V130 VanDerWaalsContact CA-O 3.24Å; F106-V130 WeakPolarHBondContact CA-O 3.24Å; F106-N131 HydrophobicContact CB-CB 4.48Å; F106-Y136 HydrophobicContact CB-CG 4.31Å; F106-Y136 AromaticContact CD2-CD1 3.97Å; F106-Y136 HydrophobicContact CD2-CD1 3.97Å; F106-Y136 AromaticContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CD2 3.47Å; F106-Y136 VanDerWaalsContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CE2 4.12Å; F106-Y136 AromaticContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CE1-CD2 4.48Å; F106-Y136 AromaticContact CE2-CD2 3.35Å; F106-Y136 HydrophobicContact CE2-CD2 3.35Å; F106-Y136 AromaticContact CE2-CE2 3.7Å; F106-Y136 HydrophobicContact CE2-CE2 3.7Å; F106-Y136 AromaticContact CE2-CG 3.81Å; F106-Y136 HydrophobicContact CE2-CG 3.81Å; F106-Y136 VanDerWaalsContact CG-CB 3.49Å; F106-Y136 HydrophobicContact CG-CD2 4.12Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CE2 4.38Å; F106-F143 HydrophobicContact CD1-CB 4.48Å; F106-F143 AromaticContact CD1-CD2 3.37Å; F106-F143 HydrophobicContact CD1-CD2 3.37Å; F106-F143 AromaticContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CG 4.21Å; F106-F143 HydrophobicContact CE1-CB 3.76Å; F106-F143 AromaticContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CE2 4.1Å; F106-F143 AromaticContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CG-CD2 4.42Å; F106-F143 HydrophobicContact CZ-CB 4.02Å; F106-F143 HydrophobicContact CZ-CD2 4.36Å; F106-F143 HydrophobicContact CZ-CG 4.45Å; F106-F153 HydrophobicContact CE1-CD1 4.22Å; F106-F153 AromaticContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CZ-CD1 4.2Å; F106-F153 HydrophobicContact CZ-CE1 4.07Å; F106-F227 AromaticContact CE2-CD1 3.66Å; F106-F227 HydrophobicContact CE2-CD1 3.66Å; F106-F227 AromaticContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CG 4.08Å; F106-F227 HydrophobicContact CE2-CZ 4.27Å; F106-F227 AromaticContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD2 4.44Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.12Å; F106-F227 HydrophobicContact CZ-CG 4.36Å; F106-F227 AromaticContact CZ-CZ 3.68Å; F106-F227 HydrophobicContact CZ-CZ 3.68Å; F106-S228 WeakPolarHBondContact O-CA 3.49Å; F106-G229 WeakPolarHBondContact CD1-O 3.31Å; F106-G229 PolarHBondContact N-O 2.93Å; F106-G229 PolarHBondContact O-N 2.96Å |
| 107 | S | 98.6 | Very high | 83.4 | Confident | 20 Ų | 20 | 76.1 Ų | 76.1 | 14% | 0.14 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 135.2 | 163.5 | -170.5 | 0 | 0 | 0 | 0 | 108.9 | L129 V130 F227 S228 | S107-L129 WeakPolarHBondContact O-CA 2.95Å; S107-L129 WeakPolarHBondContact O-CB 3.39Å; S107-L129 PolarHBondContact O-N 3.36Å; S107-V130 PolarHBondContact N-O 3.38Å; S107-V130 PolarHBondContact O-N 3.16Å; S107-V130 VanDerWaalsContact O-N 3.1Å; S107-F227 WeakPolarHBondContact CA-O 3.27Å; S107-S228 WeakPolarHBondContact CB-OG 3.42Å; S107-S228 PolarHBondContact OG-OG 2.88Å |
| 108 | A | 98.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 160.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F125 R127 Y136 T226 F227 | A108-F125 HydrophobicContact CB-CB 3.73Å; A108-F125 WeakPolarHBondContact CB-O 3.49Å; A108-R127 CarbonylContact C-O 3.57Å; A108-R127 WeakPolarHBondContact CA-O 3.3Å; A108-Y136 HydrophobicContact CB-CD1 4.17Å; A108-Y136 HydrophobicContact CB-CE1 3.59Å; A108-T226 CarbonylContact O-C 3.57Å; A108-T226 VanDerWaalsContact O-CA 3.26Å; A108-T226 WeakPolarHBondContact O-CA 3.35Å; A108-F227 PolarHBondContact N-O 2.87Å; A108-F227 PolarHBondContact O-N 2.84Å |
| 109 | K | 97.8 | Very high | 85.7 | Confident | 36 Ų | 36 | 68.9 Ų | 68.9 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.3 | 178.2 | 70 | -177.8 | -169.8 | 159.2 | 0 | 111.9 | F125 D126 R127 L129 D224 S225 T226 | K109-F125 CarbonylContact O-C 3.6Å; K109-D126 PolarHBondContact O-N 3.38Å; K109-R127 HydrophobicContact CG-CB 3.7Å; K109-R127 PolarHBondContact N-O 3.24Å; K109-R127 WeakPolarHBondContact O-CA 3.35Å; K109-R127 WeakPolarHBondContact O-CB 3.36Å; K109-R127 PolarHBondContact O-N 2.87Å; K109-L129 HydrophobicContact CD-CD2 4Å; K109-L129 HydrophobicContact CG-CD2 4.34Å; K109-D224 HydrophobicContact CD-CB 4.42Å; K109-D224 VanDerWaalsContact CD-OD1 3.31Å; K109-D224 WeakPolarHBondContact CD-OD1 3.42Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.82Å; K109-D224 PolarHBondContact NZ-OD1 2.79Å; K109-D224 IonicContact NZ-OD2 3.67Å; K109-S225 CarbonylContact C-O 3.59Å; K109-S225 VanDerWaalsContact CA-O 3.25Å; K109-S225 WeakPolarHBondContact CA-O 3.33Å; K109-S225 WeakPolarHBondContact CB-O 3.5Å; K109-T226 HydrophobicContact CB-CG2 4.01Å |
| 110 | R | 93.9 | Very high | 86.8 | Confident | 27 Ų | 27 | 69.8 Ų | 69.8 | 10% | 0.102 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -77.1 | 142.9 | 176.1 | -73.9 | -154.6 | 62.4 | 102.8 | -2.7 | 112.1 | L123 P124 F125 A219 S225 | R110-L123 VanDerWaalsContact NH1-CG 3.3Å; R110-P124 PolarHBondContact NH1-O 3.43Å; R110-F125 HydrophobicContact CG-CD1 3.64Å; R110-F125 HydrophobicContact CG-CE1 3.89Å; R110-F125 HydrophobicContact CG-CG 4.11Å; R110-A219 HydrophobicContact CB-CB 4.26Å; R110-S225 PolarHBondContact N-O 3.26Å |
| 111 | S | 93.7 | Very high | 88.2 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 157.6 | 161.6 | -76.1 | 0 | 0 | 0 | 0 | 112.4 | S113 D126 R127 | S111-S113 PolarHBondContact O-N 2.93Å; S111-D126 WeakPolarHBondContact CB-OD1 3.36Å; S111-D126 WeakPolarHBondContact CB-OD2 3.26Å; S111-D126 PolarHBondContact N-OD1 3.37Å; S111-D126 PolarHBondContact OG-OD2 2.81Å; S111-R127 VanDerWaalsContact OG-CD 3.28Å; S111-R127 WeakPolarHBondContact OG-CD 3.47Å; S111-R127 VanDerWaalsContact OG-CG 3.23Å; S111-R127 WeakPolarHBondContact OG-CG 3.39Å |
| 112 | E | 92.3 | Very high | 89.5 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 118.5 | 170.7 | -58.2 | -173.9 | -126.2 | 0 | 0 | 109.1 | I221 | E112-I221 WeakPolarHBondContact OE1-CG1 3.46Å; E112-I221 PolarHBondContact OE1-N 3.19Å; E112-I221 PolarHBondContact OE2-N 2.83Å |
| 113 | S | 85.5 | Confident | 90.1 | Very high | 55 Ų | 55 | 62 Ų | 62 | 39% | 0.385 | 33% | 0.329 | S | S | . | . | trans | -125.3 | 136.9 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | S111 L115 | S111-S113 PolarHBondContact O-N 2.93Å; S113-L115 PolarHBondContact OG-N 2.98Å; S113-L115 PolarHBondContact OG-O 2.82Å | ||
| 114 | R | 78.7 | Confident | 90.3 | Very high | 256 Ų | 256 | 57 Ų | 57 | 97% | 0.966 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -92.1 | -15.3 | 166.5 | -65 | -174.5 | -180 | -128.8 | 0.8 | 112.4 | ||
| 115 | L | 84 | Confident | 90.3 | Very high | 136 Ų | 136 | 56.7 Ų | 56.7 | 71% | 0.712 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -81.1 | 140.4 | 176.7 | -63.2 | 175.6 | 0 | 0 | 0 | 109.3 | S113 | S113-L115 PolarHBondContact OG-N 2.98Å; S113-L115 PolarHBondContact OG-O 2.82Å |
| 116 | P | 83.1 | Confident | 90.2 | Very high | 97 Ų | 97 | 58.3 Ų | 58.3 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 140.3 | 169.6 | -21.9 | 32.2 | 0 | 0 | 0 | 110.1 | I215 | P116-I215 HydrophobicContact CB-CD1 3.97Š|
| 117 | P | 84.4 | Confident | 90.1 | Very high | 18 Ų | 18 | 64 Ų | 64 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 151.7 | 171.4 | 30.8 | -36.1 | 0 | 0 | 0 | 109.8 | S119 L123 I215 I217 | P117-S119 PolarHBondContact O-N 3.23Å; P117-L123 HydrophobicContact CB-CD1 3.47Å; P117-L123 VanDerWaalsContact CB-CD1 3.47Å; P117-I215 HydrophobicContact CG-CB 3.71Å; P117-I215 HydrophobicContact CG-CG2 4.16Å; P117-I217 HydrophobicContact CB-CG2 4.3Å; P117-I217 HydrophobicContact CG-CG2 4.04Å |
| 118 | P | 82.1 | Confident | 90.1 | Very high | 57 Ų | 57 | 66.3 Ų | 66.3 | 37% | 0.37 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 131.5 | 175.1 | 27.4 | -34.3 | 0 | 0 | 0 | 110.4 | A121 | P118-A121 HydrophobicContact CB-CB 4.17Š|
| 119 | S | 75.1 | Confident | 90 | Very high | 63 Ų | 63 | 71.1 Ų | 71.1 | 44% | 0.441 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -84.3 | 145.9 | 166.9 | 54.2 | 0 | 0 | 0 | 0 | 109.4 | P117 A121 | P117-S119 PolarHBondContact O-N 3.23Å; S119-A121 PolarHBondContact O-N 3.09Å |
| 120 | D | 80.4 | Confident | 90.1 | Very high | 130 Ų | 130 | 72.3 Ų | 72.3 | 70% | 0.695 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 61.2 | 21.8 | 177.8 | -51.8 | -40.3 | 0 | 0 | 0 | 115.7 | ||
| 121 | A | 90.4 | Very high | 90.2 | Very high | 34 Ų | 34 | 72.8 Ų | 72.8 | 28% | 0.281 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -135.7 | 158.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P118 S119 L123 | P118-A121 HydrophobicContact CB-CB 4.17Å; S119-A121 PolarHBondContact O-N 3.09Å; A121-L123 PolarHBondContact O-N 3.12Å |
| 122 | P | 95 | Very high | 90.3 | Very high | 34 Ų | 34 | 78 Ų | 78 | 22% | 0.221 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -53.5 | 135.4 | 172 | -25.3 | 34.1 | 0 | 0 | 0 | 111.6 | P124 T140 K142 W206 | P122-P124 VanDerWaalsContact O-CD 3.27Å; P122-P124 WeakPolarHBondContact O-CD 3.46Å; P122-T140 VanDerWaalsContact CB-O 3.27Å; P122-T140 WeakPolarHBondContact CB-O 3.27Å; P122-K142 HydrophobicContact CB-CG 4.24Å; P122-K142 HydrophobicContact CG-CD 4.48Å; P122-K142 HydrophobicContact CG-CG 4.23Å; P122-W206 HydrophobicContact CB-CB 4.17Å; P122-W206 HydrophobicContact CB-CG 3.92Å; P122-W206 HydrophobicContact CG-CD2 4.31Å; P122-W206 HydrophobicContact CG-CG 4.05Å |
| 123 | L | 94.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 75.3 Ų | 75.3 | 1% | 0.005 | 40% | 0.398 | C | S | . | . | trans | -85.9 | 113.3 | -178.1 | -169.1 | 69.7 | 0 | 0 | 0 | 109.4 | R110 P117 A121 F125 V207 I217 | R110-L123 VanDerWaalsContact NH1-CG 3.3Å; P117-L123 HydrophobicContact CB-CD1 3.47Å; P117-L123 VanDerWaalsContact CB-CD1 3.47Å; A121-L123 PolarHBondContact O-N 3.12Å; L123-F125 HydrophobicContact CB-CE2 4.37Å; L123-F125 HydrophobicContact CD2-CE2 4.18Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; L123-F125 HydrophobicContact CG-CE2 4.36Å; L123-F125 VanDerWaalsContact O-CD2 3.26Å; L123-F125 WeakPolarHBondContact O-CD2 3.24Å; L123-F125 WeakPolarHBondContact O-CE2 3.48Å; L123-F125 PolarHBondContact O-N 2.88Å; L123-V207 HydrophobicContact CB-CB 4.43Å; L123-V207 VanDerWaalsContact CB-O 3.26Å; L123-V207 WeakPolarHBondContact CB-O 3.35Å; L123-V207 HydrophobicContact CD2-CG1 4.31Å; L123-V207 PolarHBondContact N-O 3.28Å; L123-I217 HydrophobicContact CD1-CG2 4.5Å; L123-I217 HydrophobicContact CD2-CD1 3.52Å; L123-I217 HydrophobicContact CD2-CG2 4.07Å | ||
| 124 | P | 94.5 | Very high | 91 | Very high | 31 Ų | 31 | 75.1 Ų | 75.1 | 20% | 0.201 | 40% | 0.404 | C | S | . | . | trans | -71.6 | 131.2 | -176.9 | 26.1 | -33.8 | 0 | 0 | 0 | 111.5 | R110 P122 | R110-P124 PolarHBondContact NH1-O 3.43Å; P122-P124 VanDerWaalsContact O-CD 3.27Å; P122-P124 WeakPolarHBondContact O-CD 3.46Å | ||
| 125 | F | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | trans | -107.3 | 85 | 164.4 | -63.1 | -106.6 | 0 | 0 | 0 | 106.7 | A108 K109 R110 L123 R127 Y136 V207 I217 S225 F227 | A108-F125 HydrophobicContact CB-CB 3.73Å; A108-F125 WeakPolarHBondContact CB-O 3.49Å; K109-F125 CarbonylContact O-C 3.6Å; R110-F125 HydrophobicContact CG-CD1 3.64Å; R110-F125 HydrophobicContact CG-CE1 3.89Å; R110-F125 HydrophobicContact CG-CG 4.11Å; L123-F125 HydrophobicContact CB-CE2 4.37Å; L123-F125 HydrophobicContact CD2-CE2 4.18Å; L123-F125 HydrophobicContact CD2-CZ 4.14Å; L123-F125 HydrophobicContact CG-CE2 4.36Å; L123-F125 VanDerWaalsContact O-CD2 3.26Å; L123-F125 WeakPolarHBondContact O-CD2 3.24Å; L123-F125 WeakPolarHBondContact O-CE2 3.48Å; L123-F125 PolarHBondContact O-N 2.88Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.75Å; F125-Y136 WeakPolarHBondContact CB-OH 3.37Å; F125-Y136 PolarHBondContact N-OH 3.14Å; F125-Y136 PolarHBondContact O-OH 3.04Å; F125-V207 HydrophobicContact CE2-CB 3.99Å; F125-V207 HydrophobicContact CE2-CG1 4.49Å; F125-V207 HydrophobicContact CE2-CG2 3.98Å; F125-V207 HydrophobicContact CZ-CG2 4.36Å; F125-I217 HydrophobicContact CZ-CD1 4.27Å; F125-S225 WeakPolarHBondContact CD1-O 3.47Å; F125-F227 HydrophobicContact CD1-CB 3.73Å; F125-F227 HydrophobicContact CD2-CB 3.67Å; F125-F227 HydrophobicContact CD2-CD1 4Å; F125-F227 HydrophobicContact CD2-CG 4.26Å; F125-F227 HydrophobicContact CE1-CB 3.71Å; F125-F227 HydrophobicContact CE2-CB 3.67Å; F125-F227 HydrophobicContact CE2-CD1 4.19Å; F125-F227 HydrophobicContact CE2-CG 4.19Å; F125-F227 HydrophobicContact CG-CB 3.73Å; F125-F227 HydrophobicContact CZ-CB 3.69Å | ||
| 126 | D | 95.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 58.1 Ų | 58.1 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | trans | -76.4 | -15.5 | -163.5 | 59.9 | -61.3 | 0 | 0 | 0 | 114.1 | K109 S111 | K109-D126 PolarHBondContact O-N 3.38Å; S111-D126 WeakPolarHBondContact CB-OD1 3.36Å; S111-D126 WeakPolarHBondContact CB-OD2 3.26Å; S111-D126 PolarHBondContact N-OD1 3.37Å; S111-D126 PolarHBondContact OG-OD2 2.81Å | ||
| 127 | R | 97.1 | Very high | 93.3 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 47% | 0.472 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 96.6 | 177.7 | -60.3 | -172.4 | 65.4 | 177.7 | 3.3 | 110.9 | A108 K109 S111 F125 | A108-R127 CarbonylContact C-O 3.57Å; A108-R127 WeakPolarHBondContact CA-O 3.3Å; K109-R127 HydrophobicContact CG-CB 3.7Å; K109-R127 PolarHBondContact N-O 3.24Å; K109-R127 WeakPolarHBondContact O-CA 3.35Å; K109-R127 WeakPolarHBondContact O-CB 3.36Å; K109-R127 PolarHBondContact O-N 2.87Å; S111-R127 VanDerWaalsContact OG-CD 3.28Å; S111-R127 WeakPolarHBondContact OG-CD 3.47Å; S111-R127 VanDerWaalsContact OG-CG 3.23Å; S111-R127 WeakPolarHBondContact OG-CG 3.39Å; F125-R127 VanDerWaalsContact C-N 3.31Å; F125-R127 PolarHBondContact O-N 2.75Å |
| 128 | V | 98.2 | Very high | 93.9 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.8 | 176.5 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | N131 A138 | V128-N131 HydrophobicContact CG1-CB 3.49Å; V128-N131 VanDerWaalsContact CG1-CB 3.49Å; V128-A138 HydrophobicContact CG2-CB 3.74Å |
| 129 | L | 98 | Very high | 94.5 | Very high | 102 Ų | 102 | 60.3 Ų | 60.3 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -47.1 | 169.7 | -59.7 | 178.4 | 0 | 0 | 0 | 110.6 | S107 K109 | S107-L129 WeakPolarHBondContact O-CA 2.95Å; S107-L129 WeakPolarHBondContact O-CB 3.39Å; S107-L129 PolarHBondContact O-N 3.36Å; K109-L129 HydrophobicContact CD-CD2 4Å; K109-L129 HydrophobicContact CG-CD2 4.34Å |
| 130 | V | 98.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 37% | 0.37 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 137.4 | 174 | 63.7 | 0 | 0 | 0 | 0 | 109 | F106 S107 E132 | F106-V130 CarbonylContact C-O 3.53Å; F106-V130 VanDerWaalsContact CA-O 3.24Å; F106-V130 WeakPolarHBondContact CA-O 3.24Å; S107-V130 PolarHBondContact N-O 3.38Å; S107-V130 PolarHBondContact O-N 3.16Å; S107-V130 VanDerWaalsContact O-N 3.1Å; V130-E132 HydrophobicContact CG2-CG 4.08Å |
| 131 | N | 97.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 54 Ų | 54 | 20% | 0.198 | 31% | 0.305 | C | S | . | . | trans | -164.3 | 53.7 | 177.7 | -173.5 | 26 | 0 | 0 | 0 | 109.8 | F106 V128 Q133 G134 H135 Y136 | F106-N131 HydrophobicContact CB-CB 4.48Å; V128-N131 HydrophobicContact CG1-CB 3.49Å; V128-N131 VanDerWaalsContact CG1-CB 3.49Å; N131-Q133 PolarHBondContact O-N 2.85Å; N131-G134 PolarHBondContact O-N 3.28Å; N131-G134 VanDerWaalsContact O-N 3.09Å; N131-G134 WeakPolarHBondContact OD1-CA 3.45Å; N131-G134 PolarHBondContact OD1-N 3.35Å; N131-H135 PolarHBondContact OD1-N 3.45Å; N131-Y136 PolarHBondContact ND2-O 3.32Å; N131-Y136 PolarHBondContact OD1-N 2.86Å | ||
| 132 | E | 95.4 | Very high | 96.6 | Very high | 149 Ų | 149 | 54.6 Ų | 54.6 | 70% | 0.696 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -34.3 | -171.4 | -66.3 | -179.9 | 167.1 | 0 | 0 | 113.1 | V130 | V130-E132 HydrophobicContact CG2-CG 4.08Š|
| 133 | Q | 95.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 53 Ų | 53 | 27% | 0.271 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -9.1 | -179.7 | -59.8 | 81.3 | 41.2 | 0 | 0 | 113.6 | R103 A105 N131 H135 | R103-Q133 WeakPolarHBondContact O-CG 3.49Å; A105-Q133 PolarHBondContact O-OE1 3.45Å; N131-Q133 PolarHBondContact O-N 2.85Å; Q133-H135 VanDerWaalsContact CB-CE1 3.5Å; Q133-H135 WeakPolarHBondContact CB-CE1 3.08Å; Q133-H135 PolarHBondContact O-CD2 2.83Å; Q133-H135 PolarHBondContact O-N 2.84Å |
| 134 | G | 96.9 | Very high | 97 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | trans | 67.2 | 17.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N131 Y136 | N131-G134 PolarHBondContact O-N 3.28Å; N131-G134 VanDerWaalsContact O-N 3.09Å; N131-G134 WeakPolarHBondContact OD1-CA 3.45Å; N131-G134 PolarHBondContact OD1-N 3.35Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 2.7Å | ||
| 135 | H | 98 | Very high | 97.1 | Very high | 29 Ų | 29 | 52.8 Ų | 52.8 | 13% | 0.134 | 29% | 0.289 | C | S | . | . | trans | -73.2 | -19.4 | 179.5 | -61.4 | 165 | 0 | 0 | 0 | 112.9 | S104 N131 Q133 F143 T144 | S104-H135 PolarHBondContact OG-ND1 2.84Å; N131-H135 PolarHBondContact OD1-N 3.45Å; Q133-H135 VanDerWaalsContact CB-CE1 3.5Å; Q133-H135 WeakPolarHBondContact CB-CE1 3.08Å; Q133-H135 PolarHBondContact O-CD2 2.83Å; Q133-H135 PolarHBondContact O-N 2.84Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.26Å; H135-F143 WeakPolarHBondContact O-CA 3.27Å; H135-T144 PolarHBondContact O-N 3.33Å | ||
| 136 | Y | 98.6 | Very high | 97 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 2% | 0.02 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.8 | 171.7 | -178.2 | -105.4 | 0 | 0 | 0 | 111.3 | F106 A108 F125 N131 G134 A138 G141 F143 F227 | F106-Y136 HydrophobicContact CB-CG 4.31Å; F106-Y136 AromaticContact CD2-CD1 3.97Å; F106-Y136 HydrophobicContact CD2-CD1 3.97Å; F106-Y136 AromaticContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CD2 3.47Å; F106-Y136 VanDerWaalsContact CD2-CD2 3.47Å; F106-Y136 HydrophobicContact CD2-CE2 4.12Å; F106-Y136 AromaticContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CD2-CG 3.39Å; F106-Y136 HydrophobicContact CE1-CD2 4.48Å; F106-Y136 AromaticContact CE2-CD2 3.35Å; F106-Y136 HydrophobicContact CE2-CD2 3.35Å; F106-Y136 AromaticContact CE2-CE2 3.7Å; F106-Y136 HydrophobicContact CE2-CE2 3.7Å; F106-Y136 AromaticContact CE2-CG 3.81Å; F106-Y136 HydrophobicContact CE2-CG 3.81Å; F106-Y136 VanDerWaalsContact CG-CB 3.49Å; F106-Y136 HydrophobicContact CG-CD2 4.12Å; F106-Y136 AromaticContact CG-CG 3.86Å; F106-Y136 HydrophobicContact CG-CG 3.86Å; F106-Y136 AromaticContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CD2 3.9Å; F106-Y136 HydrophobicContact CZ-CE2 4.38Å; A108-Y136 HydrophobicContact CB-CD1 4.17Å; A108-Y136 HydrophobicContact CB-CE1 3.59Å; F125-Y136 WeakPolarHBondContact CB-OH 3.37Å; F125-Y136 PolarHBondContact N-OH 3.14Å; F125-Y136 PolarHBondContact O-OH 3.04Å; N131-Y136 PolarHBondContact ND2-O 3.32Å; N131-Y136 PolarHBondContact OD1-N 2.86Å; G134-Y136 VanDerWaalsContact C-N 3.26Å; G134-Y136 PolarHBondContact O-N 2.7Å; Y136-A138 HydrophobicContact CD1-CB 4.45Å; Y136-A138 HydrophobicContact CE1-CB 4.05Å; Y136-G141 WeakPolarHBondContact OH-CA 3.24Å; Y136-F143 HydrophobicContact CD2-CB 4.29Å; Y136-F227 AromaticContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CE1 4.04Å |
| 137 | D | 98.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 110.8 | 172.2 | 175.8 | 4.7 | 0 | 0 | 0 | 109.9 | V139 T140 G141 K142 | D137-V139 VanDerWaalsContact C-N 3.27Å; D137-V139 PolarHBondContact O-N 3.14Å; D137-V139 WeakPolarHBondContact OD1-CB 3.33Å; D137-V139 PolarHBondContact OD1-N 3.19Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-T140 PolarHBondContact OD1-N 3.04Å; D137-T140 WeakPolarHBondContact OD2-CB 3.35Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.45Å; D137-T140 PolarHBondContact OD2-OG1 2.76Å; D137-G141 WeakPolarHBondContact O-CA 3.4Å; D137-G141 PolarHBondContact O-N 2.75Å; D137-K142 PolarHBondContact N-O 2.92Å; D137-K142 PolarHBondContact O-N 2.87Å |
| 138 | A | 96.8 | Very high | 96.8 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V128 Y136 | V128-A138 HydrophobicContact CG2-CB 3.74Å; Y136-A138 HydrophobicContact CD1-CB 4.45Å; Y136-A138 HydrophobicContact CE1-CB 4.05Å |
| 139 | V | 94.8 | Very high | 96.6 | Very high | 128 Ų | 128 | 45.9 Ų | 45.9 | 78% | 0.776 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -47.7 | 177.3 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | D137 | D137-V139 VanDerWaalsContact C-N 3.27Å; D137-V139 PolarHBondContact O-N 3.14Å; D137-V139 WeakPolarHBondContact OD1-CB 3.33Å; D137-V139 PolarHBondContact OD1-N 3.19Å |
| 140 | T | 95.4 | Very high | 96.6 | Very high | 61 Ų | 61 | 41.8 Ų | 41.8 | 37% | 0.374 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -20.6 | -179.8 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | P122 D137 K142 | P122-T140 VanDerWaalsContact CB-O 3.27Å; P122-T140 WeakPolarHBondContact CB-O 3.27Å; D137-T140 WeakPolarHBondContact CB-OG1 3.34Å; D137-T140 PolarHBondContact OD1-N 3.04Å; D137-T140 WeakPolarHBondContact OD2-CB 3.35Å; D137-T140 WeakPolarHBondContact OD2-CG2 3.45Å; D137-T140 PolarHBondContact OD2-OG1 2.76Å; T140-K142 VanDerWaalsContact C-N 3.3Å |
| 141 | G | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 11.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y136 D137 | Y136-G141 WeakPolarHBondContact OH-CA 3.24Å; D137-G141 WeakPolarHBondContact O-CA 3.4Å; D137-G141 PolarHBondContact O-N 2.75Å |
| 142 | K | 98.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 20% | 0.204 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 139.4 | -173.7 | -63.5 | -174.8 | 169.5 | -169.4 | 0 | 112 | P122 D137 T140 W206 | P122-K142 HydrophobicContact CB-CG 4.24Å; P122-K142 HydrophobicContact CG-CD 4.48Å; P122-K142 HydrophobicContact CG-CG 4.23Å; D137-K142 PolarHBondContact N-O 2.92Å; D137-K142 PolarHBondContact O-N 2.87Å; T140-K142 VanDerWaalsContact C-N 3.3Å; K142-W206 HydrophobicContact CD-CE3 4.3Å; K142-W206 HydrophobicContact CG-CB 4.08Å; K142-W206 HydrophobicContact CG-CD2 4.46Å; K142-W206 HydrophobicContact CG-CE3 4.28Å; K142-W206 HydrophobicContact CG-CG 4.42Å |
| 143 | F | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 132.3 | 161.8 | 173.1 | -94.9 | 0 | 0 | 0 | 109.1 | F106 H135 Y136 C145 Y151 F153 L199 Q204 V205 | F106-F143 HydrophobicContact CD1-CB 4.48Å; F106-F143 AromaticContact CD1-CD2 3.37Å; F106-F143 HydrophobicContact CD1-CD2 3.37Å; F106-F143 AromaticContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CE2 3.91Å; F106-F143 HydrophobicContact CD1-CG 4.21Å; F106-F143 HydrophobicContact CE1-CB 3.76Å; F106-F143 AromaticContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CD2 3.34Å; F106-F143 HydrophobicContact CE1-CE2 4.1Å; F106-F143 AromaticContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CE1-CG 3.7Å; F106-F143 HydrophobicContact CG-CD2 4.42Å; F106-F143 HydrophobicContact CZ-CB 4.02Å; F106-F143 HydrophobicContact CZ-CD2 4.36Å; F106-F143 HydrophobicContact CZ-CG 4.45Å; H135-F143 HydrophobicContact CB-CD2 3.97Å; H135-F143 HydrophobicContact CB-CE2 3.51Å; H135-F143 HydrophobicContact CB-CZ 4.26Å; H135-F143 WeakPolarHBondContact O-CA 3.27Å; Y136-F143 HydrophobicContact CD2-CB 4.29Å; F143-C145 HydrophobicContact CE1-CB 4.11Å; F143-Y151 HydrophobicContact CE1-CD1 4.21Å; F143-Y151 HydrophobicContact CE1-CE1 4.01Å; F143-Y151 HydrophobicContact CZ-CD1 4.02Å; F143-Y151 AromaticContact CZ-CE1 3.53Å; F143-Y151 HydrophobicContact CZ-CE1 3.53Å; F143-F153 HydrophobicContact CB-CE1 4.23Å; F143-F153 AromaticContact CD1-CE1 3.96Å; F143-F153 HydrophobicContact CD1-CE1 3.96Å; F143-F153 AromaticContact CD1-CZ 3.69Å; F143-F153 HydrophobicContact CD1-CZ 3.69Å; F143-F153 AromaticContact CE1-CZ 4Å; F143-F153 HydrophobicContact CE1-CZ 4Å; F143-F153 HydrophobicContact CG-CE1 4.06Å; F143-F153 HydrophobicContact CG-CZ 4.27Å; F143-L199 HydrophobicContact CD1-CD1 4.18Å; F143-L199 HydrophobicContact CE1-CD1 3.73Å; F143-Q204 CarbonylContact O-C 3.58Å; F143-Q204 VanDerWaalsContact O-CA 3.24Å; F143-Q204 WeakPolarHBondContact O-CA 3.42Å; F143-V205 HydrophobicContact CD1-CB 4.41Å; F143-V205 PolarHBondContact N-O 3.36Å; F143-V205 PolarHBondContact O-N 3.06Å |
| 144 | T | 98.4 | Very high | 97 | 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 | -115 | 121.7 | 173.8 | -53.4 | 0 | 0 | 0 | 0 | 109.2 | H135 Q204 | H135-T144 PolarHBondContact O-N 3.33Å; T144-Q204 HydrophobicContact CG2-CG 4.3Å; T144-Q204 PolarHBondContact OG1-NE2 2.91Å |
| 145 | C | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -69.4 | 133 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | F143 V147 L199 E200 P201 E202 D203 | F143-C145 HydrophobicContact CE1-CB 4.11Å; C145-V147 PolarHBondContact SG-O 2.51Å; C145-L199 HydrophobicContact CB-CB 3.92Å; C145-L199 HydrophobicContact CB-CD1 4.09Å; C145-L199 VanDerWaalsContact SG-CB 3.55Å; C145-E200 VanDerWaalsContact CB-O 3.26Å; C145-E200 WeakPolarHBondContact CB-O 3.31Å; C145-E200 PolarHBondContact SG-O 2.91Å; C145-E200 VanDerWaalsContact SG-O 3.32Å; C145-P201 WeakPolarHBondContact O-CA 3.31Å; C145-E202 PolarHBondContact O-N 2.89Å; C145-D203 HydrophobicContact CB-CB 4.26Å; C145-D203 WeakPolarHBondContact CB-O 3.31Å; C145-D203 PolarHBondContact N-O 3.34Å | ||
| 146 | Q | 94.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 32.5 Ų | 32.5 | 42% | 0.421 | 17% | 0.173 | S | C | . | . | trans | -116.5 | -21.8 | 172.1 | -67.1 | -62.9 | -39.2 | 0 | 0 | 112.5 | E202 | Q146-E202 PolarHBondContact NE2-OE1 3.37Å; Q146-E202 VanDerWaalsContact NE2-OE1 3.13Å | ||
| 147 | V | 93.6 | Very high | 97 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.085 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -117.6 | 119.5 | -178.4 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | P102 C145 Y151 L231 | P102-V147 HydrophobicContact CB-CB 4.48Å; P102-V147 HydrophobicContact CB-CG1 3.66Å; P102-V147 HydrophobicContact CB-CG2 4.05Å; P102-V147 HydrophobicContact CG-CG1 3.87Å; C145-V147 PolarHBondContact SG-O 2.51Å; V147-Y151 VanDerWaalsContact O-CE2 3.3Å; V147-Y151 WeakPolarHBondContact O-CE2 3.3Å; V147-Y151 PolarHBondContact O-OH 3.45Å; V147-L231 HydrophobicContact CB-CD2 4.35Å; V147-L231 HydrophobicContact CG1-CD2 3.83Å |
| 148 | P | 94.8 | Very high | 97 | Very high | 14 Ų | 14 | 30 Ų | 30 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | trans | -64.5 | 138.4 | 177.1 | 26.1 | -32 | 0 | 0 | 0 | 110.9 | L199 S234 D235 | P148-L199 WeakPolarHBondContact CA-O 3.47Å; P148-S234 WeakPolarHBondContact O-CA 3.3Å; P148-D235 PolarHBondContact O-N 2.87Å | ||
| 149 | G | 94.8 | Very high | 97 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | -165.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R198 L199 Y233 | G149-R198 WeakPolarHBondContact O-CA 3.38Å; G149-L199 PolarHBondContact N-O 3.36Å; G149-L199 PolarHBondContact O-N 2.81Å; G149-Y233 WeakPolarHBondContact CA-O 3.2Å |
| 150 | V | 96.9 | Very high | 97.1 | Very high | 15 Ų | 15 | 25.6 Ų | 25.6 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.9 | 178.2 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | M196 R198 V232 Y233 | V150-M196 HydrophobicContact CG1-CB 4.3Å; V150-M196 HydrophobicContact CG1-CE 3.59Å; V150-R198 HydrophobicContact CG2-CB 4.21Å; V150-R198 HydrophobicContact CG2-CG 4.49Å; V150-V232 WeakPolarHBondContact O-CB 3.25Å; V150-V232 PolarHBondContact O-N 2.96Å; V150-Y233 HydrophobicContact CB-CD1 4.24Å; V150-Y233 HydrophobicContact CB-CD2 4.49Å; V150-Y233 HydrophobicContact CB-CE1 3.71Å; V150-Y233 HydrophobicContact CB-CE2 3.98Å; V150-Y233 HydrophobicContact CG1-CE1 4.21Å; V150-Y233 HydrophobicContact CG2-CE1 4Å; V150-Y233 HydrophobicContact CG2-CE2 3.65Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.41Å; V150-Y233 PolarHBondContact N-O 3.1Å |
| 151 | Y | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.4 | -178.6 | -73.6 | -100.8 | 0 | 0 | 0 | 110.3 | S104 F143 V147 F153 M196 V197 L199 F230 L231 | S104-Y151 WeakPolarHBondContact OG-CE1 3.47Å; S104-Y151 PolarHBondContact OG-OH 3.2Å; F143-Y151 HydrophobicContact CE1-CD1 4.21Å; F143-Y151 HydrophobicContact CE1-CE1 4.01Å; F143-Y151 HydrophobicContact CZ-CD1 4.02Å; F143-Y151 AromaticContact CZ-CE1 3.53Å; F143-Y151 HydrophobicContact CZ-CE1 3.53Å; V147-Y151 VanDerWaalsContact O-CE2 3.3Å; V147-Y151 WeakPolarHBondContact O-CE2 3.3Å; V147-Y151 PolarHBondContact O-OH 3.45Å; Y151-F153 VanDerWaalsContact CB-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CZ 4.47Å; Y151-F153 HydrophobicContact CG-CE2 4.3Å; Y151-F153 HydrophobicContact CG-CZ 4.48Å; Y151-M196 CarbonylContact O-C 3.54Å; Y151-M196 WeakPolarHBondContact O-CA 3.19Å; Y151-V197 PolarHBondContact N-O 2.87Å; Y151-V197 PolarHBondContact O-N 3.44Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.85Å; Y151-L199 HydrophobicContact CD2-CD1 3.62Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.98Å; Y151-L199 HydrophobicContact CE2-CD1 4.08Å; Y151-L199 HydrophobicContact CE2-CG 4.36Å; Y151-L199 HydrophobicContact CG-CD1 3.8Å; Y151-L199 HydrophobicContact CG-CG 4.33Å; Y151-F230 VanDerWaalsContact CA-O 3.31Å; Y151-F230 WeakPolarHBondContact CA-O 3.45Å; Y151-F230 VanDerWaalsContact CD1-C 3.5Å; Y151-L231 HydrophobicContact CD1-CB 4.18Å; Y151-L231 HydrophobicContact CD2-CD1 4.14Å; Y151-L231 HydrophobicContact CE1-CB 3.71Å; Y151-L231 HydrophobicContact CE1-CD1 4.21Å; Y151-L231 HydrophobicContact CE2-CD1 3.65Å |
| 152 | Y | 98.6 | Very high | 96.7 | Very high | 86 Ų | 86 | 33.3 Ų | 33.3 | 34% | 0.337 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.4 | 166.2 | 178.2 | -109.5 | 0 | 0 | 0 | 109.1 | A154 M196 G229 F230 | Y152-A154 HydrophobicContact CE1-CB 3.8Å; Y152-M196 HydrophobicContact CD2-CG 3.71Å; Y152-M196 HydrophobicContact CG-CG 4.46Å; Y152-G229 CarbonylContact O-C 3.57Å; Y152-G229 WeakPolarHBondContact O-CA 3.48Å; Y152-F230 AromaticContact CD1-CE1 3.63Å; Y152-F230 HydrophobicContact CD1-CE1 3.63Å; Y152-F230 AromaticContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CE1-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CZ 4.33Å; Y152-F230 PolarHBondContact N-O 3.04Å; Y152-F230 PolarHBondContact O-N 3.43Å |
| 153 | F | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.1 | 174.4 | -67.4 | -89 | 0 | 0 | 0 | 110.1 | F106 F143 Y151 L168 G194 A195 V197 L199 V205 F227 S228 | F106-F153 HydrophobicContact CE1-CD1 4.22Å; F106-F153 AromaticContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CE1-CE1 3.77Å; F106-F153 HydrophobicContact CZ-CD1 4.2Å; F106-F153 HydrophobicContact CZ-CE1 4.07Å; F143-F153 HydrophobicContact CB-CE1 4.23Å; F143-F153 AromaticContact CD1-CE1 3.96Å; F143-F153 HydrophobicContact CD1-CE1 3.96Å; F143-F153 AromaticContact CD1-CZ 3.69Å; F143-F153 HydrophobicContact CD1-CZ 3.69Å; F143-F153 AromaticContact CE1-CZ 4Å; F143-F153 HydrophobicContact CE1-CZ 4Å; F143-F153 HydrophobicContact CG-CE1 4.06Å; F143-F153 HydrophobicContact CG-CZ 4.27Å; Y151-F153 VanDerWaalsContact CB-CE2 3.47Å; Y151-F153 HydrophobicContact CD1-CZ 4.47Å; Y151-F153 HydrophobicContact CG-CE2 4.3Å; Y151-F153 HydrophobicContact CG-CZ 4.48Å; F153-L168 HydrophobicContact CB-CD1 4.15Å; F153-L168 HydrophobicContact CB-CD2 4.14Å; F153-G194 CarbonylContact O-C 3.53Å; F153-G194 WeakPolarHBondContact O-CA 3.42Å; F153-A195 PolarHBondContact N-O 2.88Å; F153-A195 PolarHBondContact O-N 2.79Å; F153-V197 HydrophobicContact CD2-CG1 3.84Å; F153-V197 HydrophobicContact CE2-CG1 3.66Å; F153-L199 HydrophobicContact CE2-CD1 3.93Å; F153-L199 HydrophobicContact CZ-CD1 3.87Å; F153-V205 HydrophobicContact CD1-CG1 3.93Å; F153-V205 HydrophobicContact CD2-CG1 4.1Å; F153-V205 HydrophobicContact CE1-CB 3.94Å; F153-V205 HydrophobicContact CE1-CG1 3.73Å; F153-V205 HydrophobicContact CE2-CB 4.19Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.95Å; F153-V205 HydrophobicContact CG-CG1 4.1Å; F153-V205 HydrophobicContact CZ-CB 3.71Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.81Å; F153-F227 HydrophobicContact CB-CE2 4.23Å; F153-F227 AromaticContact CD1-CE2 3.74Å; F153-F227 HydrophobicContact CD1-CE2 3.74Å; F153-F227 AromaticContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CE1-CZ 4.31Å; F153-F227 HydrophobicContact CG-CE2 4.42Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å |
| 154 | A | 98.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 7% | 0.066 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 136 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y152 G193 S228 | Y152-A154 HydrophobicContact CE1-CB 3.8Å; A154-G193 CarbonylContact C-O 3.39Å; A154-G193 WeakPolarHBondContact CA-O 3.38Å; A154-S228 PolarHBondContact N-O 2.87Å; A154-S228 PolarHBondContact O-N 2.76Å |
| 155 | V | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 128.9 | 171.6 | -179.5 | 0 | 0 | 0 | 0 | 107.7 | A157 F166 L168 S192 G193 V207 T226 F227 | V155-A157 HydrophobicContact CG1-CB 4.37Å; V155-F166 HydrophobicContact CB-CE1 4.38Å; V155-F166 HydrophobicContact CB-CE2 3.77Å; V155-F166 HydrophobicContact CB-CZ 3.6Å; V155-F166 HydrophobicContact CG1-CE1 3.93Å; V155-F166 HydrophobicContact CG1-CE2 4.04Å; V155-F166 HydrophobicContact CG1-CZ 3.66Å; V155-F166 HydrophobicContact CG2-CE2 3.9Å; V155-F166 HydrophobicContact CG2-CZ 4.26Å; V155-L168 HydrophobicContact CG2-CD2 4.12Å; V155-S192 CarbonylContact O-C 3.58Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.45Å; V155-G193 PolarHBondContact N-O 3.38Å; V155-G193 PolarHBondContact O-N 3.38Å; V155-V207 HydrophobicContact CG2-CG2 3.46Å; V155-V207 VanDerWaalsContact CG2-CG2 3.46Å; V155-T226 WeakPolarHBondContact CA-O 3.41Å; V155-F227 HydrophobicContact CG2-CD2 3.64Å; V155-F227 HydrophobicContact CG2-CE2 4.23Å; V155-F227 HydrophobicContact CG2-CG 4.37Å |
| 156 | H | 98.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 31.3 Ų | 31.3 | 44% | 0.44 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 109.2 | 168.7 | -59 | -74.3 | 0 | 0 | 0 | 107.3 | S192 S225 T226 | H156-S192 WeakPolarHBondContact ND1-CB 3.49Å; H156-S192 PolarHBondContact ND1-OG 2.82Å; H156-S225 CarbonylContact O-C 3.58Å; H156-S225 VanDerWaalsContact O-CA 3.24Å; H156-S225 WeakPolarHBondContact O-CA 3.42Å; H156-T226 PolarHBondContact N-O 2.9Å; H156-T226 PolarHBondContact O-N 2.84Å |
| 157 | A | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 27.9 Ų | 27.9 | 3% | 0.033 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V155 L164 S190 L191 I217 S225 | V155-A157 HydrophobicContact CG1-CB 4.37Å; A157-L164 HydrophobicContact CB-CD2 3.55Å; A157-S190 CarbonylContact O-C 3.53Å; A157-S190 WeakPolarHBondContact O-CA 3.19Å; A157-L191 PolarHBondContact N-O 2.86Å; A157-L191 PolarHBondContact O-N 2.97Å; A157-I217 HydrophobicContact CB-CD1 4.13Å; A157-I217 HydrophobicContact CB-CG1 4.11Å; A157-S225 WeakPolarHBondContact CA-OG 3.2Å |
| 158 | T | 97.9 | Very high | 96.7 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 11% | 0.11 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133 | 162.3 | -61.5 | 0 | 0 | 0 | 0 | 108.6 | P188 Y218 T223 D224 S225 | T158-P188 HydrophobicContact CG2-CB 3.45Å; T158-P188 VanDerWaalsContact CG2-CB 3.45Å; T158-P188 HydrophobicContact CG2-CG 4.19Å; T158-Y218 WeakPolarHBondContact CB-O 3.48Å; T158-Y218 HydrophobicContact CG2-CD1 4.22Å; T158-Y218 PolarHBondContact O-N 2.75Å; T158-T223 HydrophobicContact CG2-CG2 4.25Å; T158-D224 PolarHBondContact OG1-O 3.33Å; T158-S225 PolarHBondContact N-OG 2.81Å |
| 159 | V | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 121.5 | -177.1 | -177 | 0 | 0 | 0 | 0 | 110.3 | A162 L164 Q180 F182 P188 A189 L191 G216 | V159-A162 WeakPolarHBondContact CG1-O 3.28Å; V159-L164 HydrophobicContact CB-CB 4.4Å; V159-L164 HydrophobicContact CG1-CB 3.84Å; V159-L164 HydrophobicContact CG2-CB 3.74Å; V159-L164 HydrophobicContact CG2-CD2 3.78Å; V159-L164 HydrophobicContact CG2-CG 4.4Å; V159-Q180 HydrophobicContact CB-CG 4.32Å; V159-Q180 HydrophobicContact CG1-CG 4.3Å; V159-Q180 HydrophobicContact CG2-CB 4.1Å; V159-Q180 HydrophobicContact CG2-CG 4.03Å; V159-F182 HydrophobicContact CG1-CB 4.21Å; V159-P188 CarbonylContact O-C 3.55Å; V159-P188 VanDerWaalsContact O-CA 3.31Å; V159-P188 WeakPolarHBondContact O-CA 3.4Å; V159-A189 HydrophobicContact CB-CB 4.33Å; V159-A189 PolarHBondContact N-O 2.82Å; V159-A189 PolarHBondContact O-N 2.83Å; V159-L191 HydrophobicContact CG2-CB 3.75Å; V159-G216 CarbonylContact C-O 3.51Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 3.5Å |
| 160 | Y | 95.1 | Very high | 97 | Very high | 56 Ų | 56 | 29 Ų | 29 | 22% | 0.22 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 152.8 | -178.9 | -165.2 | -130.3 | 0 | 0 | 0 | 112.8 | A162 F182 P186 P188 G216 Y218 | Y160-A162 PolarHBondContact O-N 3.2Å; Y160-F182 AromaticContact CD2-CE2 3.8Å; Y160-F182 HydrophobicContact CD2-CE2 3.8Å; Y160-F182 AromaticContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CE2-CE2 4.4Å; Y160-F182 AromaticContact CE2-CZ 3.96Å; Y160-F182 HydrophobicContact CE2-CZ 3.96Å; Y160-P186 PolarHBondContact OH-O 3.07Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.93Å; Y160-P188 HydrophobicContact CE2-CG 4.43Å; Y160-P188 HydrophobicContact CG-CB 4.32Å; Y160-P188 HydrophobicContact CG-CG 4.01Å; Y160-G216 PolarHBondContact N-O 2.88Å; Y160-Y218 HydrophobicContact CD1-CD1 4.18Å; Y160-Y218 HydrophobicContact CD1-CD2 4.24Å; Y160-Y218 AromaticContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE2 4.06Å; Y160-Y218 HydrophobicContact CD1-CG 4.3Å; Y160-Y218 AromaticContact CD1-CZ 3.93Å; Y160-Y218 HydrophobicContact CG-CD1 4.44Å |
| 161 | R | 91.9 | Very high | 97 | Very high | 192 Ų | 192 | 32.2 Ų | 32.2 | 73% | 0.725 | 15% | 0.15 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 66.2 | -30.2 | -179.6 | -58.1 | 176.7 | 173 | -97 | -2.8 | 115.9 | ||
| 162 | A | 93.6 | Very high | 96.8 | Very high | 31 Ų | 31 | 34.5 Ų | 34.5 | 26% | 0.256 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 165.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V159 Y160 F182 G216 | V159-A162 WeakPolarHBondContact CG1-O 3.28Å; Y160-A162 PolarHBondContact O-N 3.2Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 VanDerWaalsContact O-CB 3.24Å; A162-F182 WeakPolarHBondContact O-CB 3.26Å; A162-G216 WeakPolarHBondContact O-CA 3.13Å |
| 163 | S | 96.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 11% | 0.105 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 154.7 | 168 | -62.4 | 0 | 0 | 0 | 0 | 109.7 | Q180 F182 Y214 I215 G216 | S163-Q180 WeakPolarHBondContact CA-O 3.23Å; S163-Q180 WeakPolarHBondContact CB-O 3.49Å; S163-F182 PolarHBondContact OG-N 2.73Å; S163-Y214 CarbonylContact O-C 3.53Å; S163-Y214 WeakPolarHBondContact O-CA 3.49Å; S163-I215 PolarHBondContact O-N 2.94Å; S163-G216 WeakPolarHBondContact O-CA 3.44Å; S163-G216 PolarHBondContact O-N 3.05Å |
| 164 | L | 96.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.8 | 177.5 | 177.8 | 59 | 0 | 0 | 0 | 110 | A157 V159 F166 F179 Q180 L191 Y214 I217 | A157-L164 HydrophobicContact CB-CD2 3.55Å; V159-L164 HydrophobicContact CB-CB 4.4Å; V159-L164 HydrophobicContact CG1-CB 3.84Å; V159-L164 HydrophobicContact CG2-CB 3.74Å; V159-L164 HydrophobicContact CG2-CD2 3.78Å; V159-L164 HydrophobicContact CG2-CG 4.4Å; L164-F166 HydrophobicContact CD2-CD1 4.12Å; L164-F166 HydrophobicContact CG-CD1 4.2Å; L164-F179 CarbonylContact O-C 3.46Å; L164-F179 WeakPolarHBondContact O-CA 3.36Å; L164-F179 WeakPolarHBondContact O-CD2 3.5Å; L164-Q180 PolarHBondContact N-O 3.44Å; L164-Q180 PolarHBondContact O-N 2.89Å; L164-L191 HydrophobicContact CB-CD2 4.3Å; L164-L191 HydrophobicContact CD2-CB 4.47Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 3.98Å; L164-Y214 WeakPolarHBondContact CA-O 3.36Å; L164-I217 HydrophobicContact CD1-CB 3.75Å; L164-I217 HydrophobicContact CD1-CG2 4.49Å; L164-I217 HydrophobicContact CD2-CB 3.83Å; L164-I217 HydrophobicContact CD2-CG1 4.09Å; L164-I217 HydrophobicContact CG-CB 4.43Å |
| 165 | Q | 96.3 | Very high | 96.5 | Very high | 17 Ų | 17 | 42.7 Ų | 42.7 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.6 | 164.9 | -166.9 | -77.8 | -33.1 | 0 | 0 | 107.7 | D167 F178 F179 V209 V211 Y214 | Q165-D167 PolarHBondContact NE2-OD1 3.02Å; Q165-F178 VanDerWaalsContact CA-O 3.27Å; Q165-F178 WeakPolarHBondContact CA-O 3.25Å; Q165-F178 WeakPolarHBondContact CG-O 3.49Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.36Å; Q165-V209 WeakPolarHBondContact O-CG1 3.26Å; Q165-V211 HydrophobicContact CG-CG2 4.38Å; Q165-Y214 HydrophobicContact CB-CD2 3.82Å; Q165-Y214 HydrophobicContact CB-CG 4.17Å; Q165-Y214 HydrophobicContact CG-CD2 4.49Å; Q165-Y214 PolarHBondContact N-O 3.04Å |
| 166 | F | 96.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 153.8 | 169.3 | 69.3 | -99.4 | 0 | 0 | 0 | 111 | V155 L164 F178 L191 V207 Q208 | V155-F166 HydrophobicContact CB-CE1 4.38Å; V155-F166 HydrophobicContact CB-CE2 3.77Å; V155-F166 HydrophobicContact CB-CZ 3.6Å; V155-F166 HydrophobicContact CG1-CE1 3.93Å; V155-F166 HydrophobicContact CG1-CE2 4.04Å; V155-F166 HydrophobicContact CG1-CZ 3.66Å; V155-F166 HydrophobicContact CG2-CE2 3.9Å; V155-F166 HydrophobicContact CG2-CZ 4.26Å; L164-F166 HydrophobicContact CD2-CD1 4.12Å; L164-F166 HydrophobicContact CG-CD1 4.2Å; F166-F178 AromaticContact CD2-CD2 4Å; F166-F178 HydrophobicContact CD2-CD2 4Å; F166-F178 HydrophobicContact CE1-CB 4.13Å; F166-F178 HydrophobicContact CE2-CB 4.1Å; F166-F178 AromaticContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CE2 4.1Å; F166-F178 HydrophobicContact CE2-CG 4.02Å; F166-F178 HydrophobicContact CZ-CB 3.85Å; F166-F178 AromaticContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CG 4.02Å; F166-F178 PolarHBondContact N-O 2.88Å; F166-F178 PolarHBondContact O-N 2.97Å; F166-L191 HydrophobicContact CD1-CD2 3.76Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.49Å; F166-L191 VanDerWaalsContact CE1-CD2 3.49Å; F166-L191 HydrophobicContact CE1-CG 3.74Å; F166-L191 HydrophobicContact CZ-CG 4.5Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.83Å; F166-V207 HydrophobicContact CG-CG1 4Å; F166-Q208 CarbonylContact C-O 3.54Å; F166-Q208 WeakPolarHBondContact CA-O 2.98Å; F166-Q208 WeakPolarHBondContact CB-O 3.41Å |
| 167 | D | 96.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 10% | 0.096 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138.2 | 171.9 | -61.2 | -27.4 | 0 | 0 | 0 | 109.3 | Q165 V169 A176 S177 V207 Q208 | Q165-D167 PolarHBondContact NE2-OD1 3.02Å; D167-V169 HydrophobicContact CB-CG2 3.79Å; D167-A176 WeakPolarHBondContact CA-O 3.43Å; D167-S177 WeakPolarHBondContact OD1-CA 3.26Å; D167-S177 WeakPolarHBondContact OD1-CB 3.35Å; D167-S177 PolarHBondContact OD1-OG 2.8Å; D167-V207 WeakPolarHBondContact O-CA 3.23Å; D167-Q208 HydrophobicContact CB-CG 4.27Å; D167-Q208 PolarHBondContact N-O 2.87Å; D167-Q208 PolarHBondContact O-N 2.96Å; D167-Q208 VanDerWaalsContact O-N 3.08Å |
| 168 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 124 | 155.6 | -84.2 | 172.1 | 0 | 0 | 0 | 107.5 | F153 V155 I175 A176 F178 A195 V207 F227 | F153-L168 HydrophobicContact CB-CD1 4.15Å; F153-L168 HydrophobicContact CB-CD2 4.14Å; V155-L168 HydrophobicContact CG2-CD2 4.12Å; L168-I175 HydrophobicContact CB-CB 4.4Å; L168-I175 HydrophobicContact CB-CD1 4.34Å; L168-I175 WeakPolarHBondContact O-CB 3.43Å; L168-I175 PolarHBondContact O-N 3.23Å; L168-A176 PolarHBondContact N-O 2.88Å; L168-F178 HydrophobicContact CD1-CE2 4.11Å; L168-F178 HydrophobicContact CG-CE2 4.42Å; L168-A195 HydrophobicContact CD1-CB 4.36Å; L168-V207 HydrophobicContact CD2-CG2 4.05Å; L168-F227 HydrophobicContact CD2-CE2 3.77Å; L168-F227 HydrophobicContact CD2-CZ 4.29Å |
| 169 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 135.5 | -168.8 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | D167 G172 E173 V205 W206 Q208 | D167-V169 HydrophobicContact CB-CG2 3.79Å; V169-G172 VanDerWaalsContact CG1-C 3.46Å; V169-G172 VanDerWaalsContact CG1-CA 3.48Å; V169-E173 CarbonylContact C-O 3.56Å; V169-E173 VanDerWaalsContact CA-O 3.31Å; V169-E173 WeakPolarHBondContact CA-O 3.5Å; V169-E173 WeakPolarHBondContact CG1-O 3.26Å; V169-V205 WeakPolarHBondContact O-CA 3.33Å; V169-V205 WeakPolarHBondContact O-CG1 3.43Å; V169-W206 HydrophobicContact CB-CD2 4.14Å; V169-W206 HydrophobicContact CB-CG 4.42Å; V169-W206 HydrophobicContact CB-CZ2 4.22Å; V169-W206 HydrophobicContact CG1-CD2 4.21Å; V169-W206 HydrophobicContact CG1-CH2 3.94Å; V169-W206 HydrophobicContact CG1-CZ2 3.44Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V169-W206 HydrophobicContact CG1-CZ3 4.45Å; V169-W206 PolarHBondContact N-O 2.64Å; V169-W206 PolarHBondContact O-N 2.94Å; V169-W206 VanDerWaalsContact O-N 3.07Å; V169-Q208 VanDerWaalsContact CG2-CD 3.45Å; V169-Q208 HydrophobicContact CG2-CG 3.6Å |
| 170 | K | 98.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 120.5 | 167.9 | 178.9 | -177.6 | 177.8 | 175.4 | 0 | 108.5 | G172 E173 I175 V197 R198 L199 D203 Q204 | K170-G172 PolarHBondContact O-N 2.95Å; K170-E173 PolarHBondContact N-O 2.83Å; K170-E173 PolarHBondContact O-N 2.83Å; K170-I175 HydrophobicContact CB-CD1 3.88Å; K170-I175 HydrophobicContact CB-CG1 3.78Å; K170-V197 HydrophobicContact CD-CG2 3.91Å; K170-R198 PolarHBondContact NZ-O 3.03Å; K170-L199 HydrophobicContact CD-CD2 3.83Å; K170-L199 HydrophobicContact CG-CD2 4.17Å; K170-D203 VanDerWaalsContact CE-CG 3.4Å; K170-D203 WeakPolarHBondContact CE-OD2 3.34Å; K170-D203 IonicContact NZ-OD2 3.19Å; K170-D203 PolarHBondContact NZ-OD2 2.75Å; K170-Q204 WeakPolarHBondContact CA-O 3.24Å |
| 171 | N | 96.9 | Very high | 96.4 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 29.1 | 175 | -60 | -21.5 | 0 | 0 | 0 | 114.9 | D203 Q204 | N171-D203 PolarHBondContact ND2-OD1 3.03Å; N171-Q204 PolarHBondContact N-O 2.82Å; N171-Q204 PolarHBondContact OD1-N 3.37Å; N171-Q204 PolarHBondContact OD1-O 2.78Å |
| 172 | G | 93.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 46.3 Ų | 46.3 | 49% | 0.485 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.9 | -10.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | V169 K170 | V169-G172 VanDerWaalsContact CG1-C 3.46Å; V169-G172 VanDerWaalsContact CG1-CA 3.48Å; K170-G172 PolarHBondContact O-N 2.95Å |
| 173 | E | 95.5 | Very high | 96.7 | Very high | 154 Ų | 154 | 46.6 Ų | 46.6 | 72% | 0.72 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 136.5 | 176.5 | -63.5 | -172.3 | 155.3 | 0 | 0 | 111.6 | V169 K170 I175 | V169-E173 CarbonylContact C-O 3.56Å; V169-E173 VanDerWaalsContact CA-O 3.31Å; V169-E173 WeakPolarHBondContact CA-O 3.5Å; V169-E173 WeakPolarHBondContact CG1-O 3.26Å; K170-E173 PolarHBondContact N-O 2.83Å; K170-E173 PolarHBondContact O-N 2.83Å; E173-I175 PolarHBondContact O-N 2.83Å |
| 174 | S | 96 | Very high | 96.6 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 121.7 | 177.1 | -176.2 | 0 | 0 | 0 | 0 | 110.6 | S177 | S174-S177 PolarHBondContact OG-OG 2.95Å |
| 175 | I | 97.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | -49.8 | 169.6 | -53.6 | 166.5 | 0 | 0 | 0 | 108.9 | L168 K170 E173 A195 V197 V205 | L168-I175 HydrophobicContact CB-CB 4.4Å; L168-I175 HydrophobicContact CB-CD1 4.34Å; L168-I175 WeakPolarHBondContact O-CB 3.43Å; L168-I175 PolarHBondContact O-N 3.23Å; K170-I175 HydrophobicContact CB-CD1 3.88Å; K170-I175 HydrophobicContact CB-CG1 3.78Å; E173-I175 PolarHBondContact O-N 2.83Å; I175-A195 HydrophobicContact CG2-CB 3.92Å; I175-V197 HydrophobicContact CD1-CB 4.19Å; I175-V197 HydrophobicContact CD1-CG1 4.01Å; I175-V197 HydrophobicContact CD1-CG2 4.22Å; I175-V197 HydrophobicContact CG1-CG2 4.49Å; I175-V197 HydrophobicContact CG2-CB 4.46Å; I175-V205 HydrophobicContact CD1-CG1 4.36Å |
| 176 | A | 97.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | 144.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | D167 L168 F178 A195 | D167-A176 WeakPolarHBondContact CA-O 3.43Å; L168-A176 PolarHBondContact N-O 2.88Å; A176-F178 HydrophobicContact CB-CE2 3.76Å; A176-F178 HydrophobicContact CB-CZ 3.71Å; A176-A195 HydrophobicContact CB-CB 4.33Å |
| 177 | S | 97.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.1 | -178.3 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | D167 S174 | D167-S177 WeakPolarHBondContact OD1-CA 3.26Å; D167-S177 WeakPolarHBondContact OD1-CB 3.35Å; D167-S177 PolarHBondContact OD1-OG 2.8Å; S174-S177 PolarHBondContact OG-OG 2.95Å |
| 178 | F | 97.8 | Very high | 96.3 | Very high | 43 Ų | 43 | 68.6 Ų | 68.6 | 19% | 0.189 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.9 | -177.5 | -55.2 | -85.3 | 0 | 0 | 0 | 110.5 | Q165 F166 L168 A176 L191 G193 G194 | Q165-F178 VanDerWaalsContact CA-O 3.27Å; Q165-F178 WeakPolarHBondContact CA-O 3.25Å; Q165-F178 WeakPolarHBondContact CG-O 3.49Å; F166-F178 AromaticContact CD2-CD2 4Å; F166-F178 HydrophobicContact CD2-CD2 4Å; F166-F178 HydrophobicContact CE1-CB 4.13Å; F166-F178 HydrophobicContact CE2-CB 4.1Å; F166-F178 AromaticContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CD2 3.35Å; F166-F178 HydrophobicContact CE2-CE2 4.1Å; F166-F178 HydrophobicContact CE2-CG 4.02Å; F166-F178 HydrophobicContact CZ-CB 3.85Å; F166-F178 AromaticContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CD2 3.82Å; F166-F178 HydrophobicContact CZ-CG 4.02Å; F166-F178 PolarHBondContact N-O 2.88Å; F166-F178 PolarHBondContact O-N 2.97Å; L168-F178 HydrophobicContact CD1-CE2 4.11Å; L168-F178 HydrophobicContact CG-CE2 4.42Å; A176-F178 HydrophobicContact CB-CE2 3.76Å; A176-F178 HydrophobicContact CB-CZ 3.71Å; F178-L191 HydrophobicContact CB-CD1 4.18Å; F178-L191 HydrophobicContact CB-CD2 4.25Å; F178-L191 HydrophobicContact CB-CG 4.44Å; F178-G193 VanDerWaalsContact CD1-CA 3.42Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å |
| 179 | F | 97.4 | Very high | 96.3 | Very high | 101 Ų | 101 | 69.9 Ų | 69.9 | 44% | 0.443 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 140.6 | -177.4 | 175.7 | -99.5 | 0 | 0 | 0 | 112 | L164 Q165 F181 Y214 | L164-F179 CarbonylContact O-C 3.46Å; L164-F179 WeakPolarHBondContact O-CA 3.36Å; L164-F179 WeakPolarHBondContact O-CD2 3.5Å; Q165-F179 HydrophobicContact CB-CD2 4.04Å; Q165-F179 HydrophobicContact CG-CD2 4.36Å; F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F179-Y214 HydrophobicContact CD2-CD2 4.18Å; F179-Y214 HydrophobicContact CD2-CE2 4.48Å; F179-Y214 HydrophobicContact CE2-CD1 4.41Å; F179-Y214 AromaticContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CE1 4.49Å; F179-Y214 AromaticContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CG 4.11Å |
| 180 | Q | 97.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 73.9 Ų | 73.9 | 28% | 0.28 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 123.5 | 169.3 | 176 | 61.2 | 59.7 | 0 | 0 | 109.9 | V159 S163 L164 S190 L191 | V159-Q180 HydrophobicContact CB-CG 4.32Å; V159-Q180 HydrophobicContact CG1-CG 4.3Å; V159-Q180 HydrophobicContact CG2-CB 4.1Å; V159-Q180 HydrophobicContact CG2-CG 4.03Å; S163-Q180 WeakPolarHBondContact CA-O 3.23Å; S163-Q180 WeakPolarHBondContact CB-O 3.49Å; L164-Q180 PolarHBondContact N-O 3.44Å; L164-Q180 PolarHBondContact O-N 2.89Å; Q180-S190 PolarHBondContact OE1-O 3.03Å; Q180-L191 HydrophobicContact CB-CB 3.73Å; Q180-L191 HydrophobicContact CB-CD1 3.99Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.09Å; Q180-L191 HydrophobicContact CG-CB 4.43Å |
| 181 | F | 96.8 | Very high | 96.3 | Very high | 117 Ų | 117 | 72.1 Ų | 72.1 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | trans | -71 | 136.4 | 171.8 | 175.5 | -109.8 | 0 | 0 | 0 | 111.2 | F179 G183 W185 | F179-F181 HydrophobicContact CE1-CB 3.94Å; F179-F181 HydrophobicContact CZ-CB 4.21Å; F181-G183 VanDerWaalsContact CE1-CA 3.41Å; F181-W185 HydrophobicContact CD1-CH2 4.03Å; F181-W185 HydrophobicContact CD1-CZ2 4.47Å; F181-W185 HydrophobicContact CE1-CH2 4.42Å; F181-W185 HydrophobicContact CE1-CZ2 4.49Å; F181-W185 WeakPolarHBondContact O-CH2 3.37Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.21Å | ||
| 182 | F | 96.4 | Very high | 96.4 | Very high | 21 Ų | 21 | 71.3 Ų | 71.3 | 9% | 0.092 | 42% | 0.418 | C | S | . | . | trans | -114.4 | 109.6 | 170.7 | -176.6 | -104.5 | 0 | 0 | 0 | 111.1 | V159 Y160 A162 S163 G184 W185 | V159-F182 HydrophobicContact CG1-CB 4.21Å; Y160-F182 AromaticContact CD2-CE2 3.8Å; Y160-F182 HydrophobicContact CD2-CE2 3.8Å; Y160-F182 AromaticContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CD2-CZ 3.66Å; Y160-F182 HydrophobicContact CE2-CE2 4.4Å; Y160-F182 AromaticContact CE2-CZ 3.96Å; Y160-F182 HydrophobicContact CE2-CZ 3.96Å; A162-F182 VanDerWaalsContact C-CB 3.45Å; A162-F182 VanDerWaalsContact O-CB 3.24Å; A162-F182 WeakPolarHBondContact O-CB 3.26Å; S163-F182 PolarHBondContact OG-N 2.73Å; F182-G184 PolarHBondContact O-N 2.72Å; F182-G184 VanDerWaalsContact O-N 3.16Å; F182-W185 AromaticContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CZ3 4.05Å; F182-W185 HydrophobicContact CE2-CB 4.32Å; F182-W185 AromaticContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CG-CE3 4.38Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.2Å | ||
| 183 | G | 94.8 | Very high | 96.6 | Very high | 37 Ų | 37 | 69.5 Ų | 69.5 | 38% | 0.381 | 40% | 0.399 | S | S | . | . | trans | -83.2 | 23.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | F181 W185 | F181-G183 VanDerWaalsContact CE1-CA 3.41Å; G183-W185 VanDerWaalsContact C-N 3.33Å; G183-W185 VanDerWaalsContact N-CH2 3.34Å; G183-W185 PolarHBondContact O-N 2.88Å | ||
| 184 | G | 94.3 | Very high | 96.7 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 64% | 0.639 | 38% | 0.379 | S | S | * | . | trans | 71.6 | 25.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114 | F182 | F182-G184 PolarHBondContact O-N 2.72Å; F182-G184 VanDerWaalsContact O-N 3.16Å | ||
| 185 | W | 94.5 | Very high | 96.8 | Very high | 117 Ų | 117 | 61.8 Ų | 61.8 | 44% | 0.443 | 37% | 0.368 | S | S | . | . | trans | -65.7 | 152.4 | -178.6 | -57.8 | -63.3 | 0 | 0 | 0 | 112.4 | F181 F182 G183 K187 A189 | F181-W185 HydrophobicContact CD1-CH2 4.03Å; F181-W185 HydrophobicContact CD1-CZ2 4.47Å; F181-W185 HydrophobicContact CE1-CH2 4.42Å; F181-W185 HydrophobicContact CE1-CZ2 4.49Å; F181-W185 WeakPolarHBondContact O-CH2 3.37Å; F181-W185 VanDerWaalsContact O-CZ3 3.3Å; F181-W185 WeakPolarHBondContact O-CZ3 3.21Å; F182-W185 AromaticContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CE3 3.64Å; F182-W185 HydrophobicContact CD2-CZ3 4.05Å; F182-W185 HydrophobicContact CE2-CB 4.32Å; F182-W185 AromaticContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CE2-CE3 3.94Å; F182-W185 HydrophobicContact CG-CE3 4.38Å; F182-W185 VanDerWaalsContact CZ-O 3.27Å; F182-W185 WeakPolarHBondContact CZ-O 3.2Å; G183-W185 VanDerWaalsContact C-N 3.33Å; G183-W185 VanDerWaalsContact N-CH2 3.34Å; G183-W185 PolarHBondContact O-N 2.88Å; W185-K187 PolarHBondContact O-N 2.88Å; W185-A189 HydrophobicContact CE3-CB 4.38Å; W185-A189 HydrophobicContact CZ3-CB 4.16Å | ||
| 186 | P | 94.8 | Very high | 96.9 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 75% | 0.747 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -66.8 | -20.3 | 178.8 | 26.9 | -35.3 | 0 | 0 | 0 | 113 | Y160 | Y160-P186 PolarHBondContact OH-O 3.07Š|
| 187 | K | 94.5 | Very high | 96.9 | Very high | 163 Ų | 163 | 64 Ų | 64 | 71% | 0.709 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -120.8 | 156.2 | -177.2 | -65.2 | -174.4 | -179.4 | -178.5 | 0 | 111.7 | W185 | W185-K187 PolarHBondContact O-N 2.88Š|
| 188 | P | 96.3 | Very high | 97 | Very high | 55 Ų | 55 | 67 Ų | 67 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | trans | -63.4 | 151.5 | 176.5 | -20.5 | 32.8 | 0 | 0 | 0 | 113.7 | T158 V159 Y160 | T158-P188 HydrophobicContact CG2-CB 3.45Å; T158-P188 VanDerWaalsContact CG2-CB 3.45Å; T158-P188 HydrophobicContact CG2-CG 4.19Å; V159-P188 CarbonylContact O-C 3.55Å; V159-P188 VanDerWaalsContact O-CA 3.31Å; V159-P188 WeakPolarHBondContact O-CA 3.4Å; Y160-P188 HydrophobicContact CD2-CB 4.18Å; Y160-P188 HydrophobicContact CD2-CG 3.93Å; Y160-P188 HydrophobicContact CE2-CG 4.43Å; Y160-P188 HydrophobicContact CG-CB 4.32Å; Y160-P188 HydrophobicContact CG-CG 4.01Å | ||
| 189 | A | 97.3 | Very high | 97 | Very high | 27 Ų | 27 | 65 Ų | 65 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -173.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V159 W185 | V159-A189 HydrophobicContact CB-CB 4.33Å; V159-A189 PolarHBondContact N-O 2.82Å; V159-A189 PolarHBondContact O-N 2.83Å; W185-A189 HydrophobicContact CE3-CB 4.38Å; W185-A189 HydrophobicContact CZ3-CB 4.16Å |
| 190 | S | 98.1 | Very high | 96.9 | Very high | 84 Ų | 84 | 64 Ų | 64 | 59% | 0.587 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 146.2 | -179.6 | 59.3 | 0 | 0 | 0 | 0 | 111.7 | A157 Q180 | A157-S190 CarbonylContact O-C 3.53Å; A157-S190 WeakPolarHBondContact O-CA 3.19Å; Q180-S190 PolarHBondContact OE1-O 3.03Å |
| 191 | L | 98.3 | Very high | 96.8 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 132.5 | 169.1 | 177.7 | 55.3 | 0 | 0 | 0 | 108.5 | A157 V159 L164 F166 F178 Q180 | A157-L191 PolarHBondContact N-O 2.86Å; A157-L191 PolarHBondContact O-N 2.97Å; V159-L191 HydrophobicContact CG2-CB 3.75Å; L164-L191 HydrophobicContact CB-CD2 4.3Å; L164-L191 HydrophobicContact CD2-CB 4.47Å; L164-L191 HydrophobicContact CD2-CD2 4.05Å; L164-L191 HydrophobicContact CG-CD2 3.98Å; F166-L191 HydrophobicContact CD1-CD2 3.76Å; F166-L191 HydrophobicContact CD1-CG 4.49Å; F166-L191 HydrophobicContact CE1-CD2 3.49Å; F166-L191 VanDerWaalsContact CE1-CD2 3.49Å; F166-L191 HydrophobicContact CE1-CG 3.74Å; F166-L191 HydrophobicContact CZ-CG 4.5Å; F178-L191 HydrophobicContact CB-CD1 4.18Å; F178-L191 HydrophobicContact CB-CD2 4.25Å; F178-L191 HydrophobicContact CB-CG 4.44Å; Q180-L191 HydrophobicContact CB-CB 3.73Å; Q180-L191 HydrophobicContact CB-CD1 3.99Å; Q180-L191 HydrophobicContact CB-CD2 3.97Å; Q180-L191 HydrophobicContact CB-CG 4.09Å; Q180-L191 HydrophobicContact CG-CB 4.43Å |
| 192 | S | 98.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 47% | 0.469 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 144.2 | 170.8 | -61.2 | 0 | 0 | 0 | 0 | 109.9 | V155 H156 | V155-S192 CarbonylContact O-C 3.58Å; V155-S192 VanDerWaalsContact O-CA 3.23Å; V155-S192 WeakPolarHBondContact O-CA 3.45Å; H156-S192 WeakPolarHBondContact ND1-CB 3.49Å; H156-S192 PolarHBondContact ND1-OG 2.82Å |
| 193 | G | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 64.6 Ų | 64.6 | 9% | 0.093 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 145.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110 | A154 V155 F178 | A154-G193 CarbonylContact C-O 3.39Å; A154-G193 WeakPolarHBondContact CA-O 3.38Å; V155-G193 PolarHBondContact N-O 3.38Å; V155-G193 PolarHBondContact O-N 3.38Å; F178-G193 VanDerWaalsContact CD1-CA 3.42Å |
| 194 | G | 98.1 | Very high | 97.1 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 30% | 0.299 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 153 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | F153 F178 | F153-G194 CarbonylContact O-C 3.53Å; F153-G194 WeakPolarHBondContact O-CA 3.42Å; F178-G194 VanDerWaalsContact CZ-N 3.29Å |
| 195 | A | 98.5 | Very high | 97.3 | Very high | 21 Ų | 21 | 62.7 Ų | 62.7 | 17% | 0.174 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 154.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | F153 L168 I175 A176 | F153-A195 PolarHBondContact N-O 2.88Å; F153-A195 PolarHBondContact O-N 2.79Å; L168-A195 HydrophobicContact CD1-CB 4.36Å; I175-A195 HydrophobicContact CG2-CB 3.92Å; A176-A195 HydrophobicContact CB-CB 4.33Å |
| 196 | M | 98.4 | Very high | 97.5 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 53% | 0.527 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.5 | 166.7 | -64.9 | 179.6 | 70.8 | 0 | 0 | 109.1 | V150 Y151 Y152 V232 | V150-M196 HydrophobicContact CG1-CB 4.3Å; V150-M196 HydrophobicContact CG1-CE 3.59Å; Y151-M196 CarbonylContact O-C 3.54Å; Y151-M196 WeakPolarHBondContact O-CA 3.19Å; Y152-M196 HydrophobicContact CD2-CG 3.71Å; Y152-M196 HydrophobicContact CG-CG 4.46Å; M196-V232 HydrophobicContact CE-CB 4.42Å; M196-V232 HydrophobicContact CE-CG1 4.31Å; M196-V232 HydrophobicContact CE-CG2 4.11Å |
| 197 | V | 98.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 141.4 | 178.9 | 64.9 | 0 | 0 | 0 | 0 | 109.9 | Y151 F153 K170 I175 L199 | Y151-V197 PolarHBondContact N-O 2.87Å; Y151-V197 PolarHBondContact O-N 3.44Å; F153-V197 HydrophobicContact CD2-CG1 3.84Å; F153-V197 HydrophobicContact CE2-CG1 3.66Å; K170-V197 HydrophobicContact CD-CG2 3.91Å; I175-V197 HydrophobicContact CD1-CB 4.19Å; I175-V197 HydrophobicContact CD1-CG1 4.01Å; I175-V197 HydrophobicContact CD1-CG2 4.22Å; I175-V197 HydrophobicContact CG1-CG2 4.49Å; I175-V197 HydrophobicContact CG2-CB 4.46Å; V197-L199 HydrophobicContact CG1-CD2 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.17Å; V197-L199 HydrophobicContact CG2-CD2 4.25Å |
| 198 | R | 97.6 | Very high | 97.6 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 52% | 0.517 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 130.8 | 170.9 | -178.3 | 177.5 | 171 | 135.5 | 0.5 | 109.7 | G149 V150 K170 E200 D235 | G149-R198 WeakPolarHBondContact O-CA 3.38Å; V150-R198 HydrophobicContact CG2-CB 4.21Å; V150-R198 HydrophobicContact CG2-CG 4.49Å; K170-R198 PolarHBondContact NZ-O 3.03Å; R198-E200 IonicContact CZ-OE1 3.04Å; R198-E200 IonicContact NE-OE1 3.59Å; R198-E200 PolarHBondContact NE-OE1 2.97Å; R198-E200 IonicContact NH2-OE1 3.36Å; R198-E200 PolarHBondContact NH2-OE1 2.81Å; R198-D235 IonicContact CZ-OD2 2.98Å; R198-D235 IonicContact NE-OD2 2.76Å; R198-D235 PolarHBondContact NE-OD2 2.88Å; R198-D235 IonicContact NH1-OD2 3.06Å; R198-D235 PolarHBondContact NH1-OD2 2.82Å; R198-D235 IonicContact NH2-OD2 3.33Å; R198-D235 PolarHBondContact NH2-OD2 3.04Å |
| 199 | L | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 140.7 | 177.8 | -56.6 | -178.5 | 0 | 0 | 0 | 110.5 | F143 C145 P148 G149 Y151 F153 K170 V197 D203 V205 | F143-L199 HydrophobicContact CD1-CD1 4.18Å; F143-L199 HydrophobicContact CE1-CD1 3.73Å; C145-L199 HydrophobicContact CB-CB 3.92Å; C145-L199 HydrophobicContact CB-CD1 4.09Å; C145-L199 VanDerWaalsContact SG-CB 3.55Å; P148-L199 WeakPolarHBondContact CA-O 3.47Å; G149-L199 PolarHBondContact N-O 3.36Å; G149-L199 PolarHBondContact O-N 2.81Å; Y151-L199 HydrophobicContact CD1-CD1 4.41Å; Y151-L199 HydrophobicContact CD2-CB 3.85Å; Y151-L199 HydrophobicContact CD2-CD1 3.62Å; Y151-L199 HydrophobicContact CD2-CG 3.79Å; Y151-L199 HydrophobicContact CE2-CB 3.98Å; Y151-L199 HydrophobicContact CE2-CD1 4.08Å; Y151-L199 HydrophobicContact CE2-CG 4.36Å; Y151-L199 HydrophobicContact CG-CD1 3.8Å; Y151-L199 HydrophobicContact CG-CG 4.33Å; F153-L199 HydrophobicContact CE2-CD1 3.93Å; F153-L199 HydrophobicContact CZ-CD1 3.87Å; K170-L199 HydrophobicContact CD-CD2 3.83Å; K170-L199 HydrophobicContact CG-CD2 4.17Å; V197-L199 HydrophobicContact CG1-CD2 3.9Å; V197-L199 HydrophobicContact CG1-CG 4.17Å; V197-L199 HydrophobicContact CG2-CD2 4.25Å; L199-D203 WeakPolarHBondContact CA-OD2 3.43Å; L199-D203 HydrophobicContact CB-CB 4.22Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; L199-V205 HydrophobicContact CD1-CG2 3.81Å; L199-V205 HydrophobicContact CD2-CG2 3.64Å; L199-V205 HydrophobicContact CG-CG2 4.39Å |
| 200 | E | 96.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 44.5 Ų | 44.5 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | trans | -101 | 163.4 | 166 | -60.5 | -62.9 | 157.4 | 0 | 0 | 108.9 | C145 R198 D203 | C145-E200 VanDerWaalsContact CB-O 3.26Å; C145-E200 WeakPolarHBondContact CB-O 3.31Å; C145-E200 PolarHBondContact SG-O 2.91Å; C145-E200 VanDerWaalsContact SG-O 3.32Å; R198-E200 IonicContact CZ-OE1 3.04Å; R198-E200 IonicContact NE-OE1 3.59Å; R198-E200 PolarHBondContact NE-OE1 2.97Å; R198-E200 IonicContact NH2-OE1 3.36Å; R198-E200 PolarHBondContact NH2-OE1 2.81Å; E200-D203 PolarHBondContact N-OD2 3.45Å; E200-D203 VanDerWaalsContact O-CB 3.24Å; E200-D203 WeakPolarHBondContact O-CB 3.35Å; E200-D203 PolarHBondContact O-N 2.92Å; E200-D203 VanDerWaalsContact O-N 3.14Å | ||
| 201 | P | 95.6 | Very high | 95.6 | Very high | 64 Ų | 64 | 43.6 Ų | 43.6 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 143.6 | 176.9 | -25.7 | 36.2 | 0 | 0 | 0 | 111.7 | C145 D203 | C145-P201 WeakPolarHBondContact O-CA 3.31Å; P201-D203 PolarHBondContact O-N 3.08Å |
| 202 | E | 96.3 | Very high | 94.4 | Very high | 124 Ų | 124 | 44.8 Ų | 44.8 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | -7.5 | -174.4 | -51.6 | -59.9 | 116.7 | 0 | 0 | 116 | C145 Q146 Q204 | C145-E202 PolarHBondContact O-N 2.89Å; Q146-E202 PolarHBondContact NE2-OE1 3.37Å; Q146-E202 VanDerWaalsContact NE2-OE1 3.13Å; E202-Q204 PolarHBondContact O-N 2.94Å |
| 203 | D | 98.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 48 Ų | 48 | 12% | 0.123 | 27% | 0.269 | C | S | . | . | trans | -59.7 | 135.1 | 169 | -79 | -22.9 | 0 | 0 | 0 | 110.3 | C145 K170 N171 L199 E200 P201 | C145-D203 HydrophobicContact CB-CB 4.26Å; C145-D203 WeakPolarHBondContact CB-O 3.31Å; C145-D203 PolarHBondContact N-O 3.34Å; K170-D203 VanDerWaalsContact CE-CG 3.4Å; K170-D203 WeakPolarHBondContact CE-OD2 3.34Å; K170-D203 IonicContact NZ-OD2 3.19Å; K170-D203 PolarHBondContact NZ-OD2 2.75Å; N171-D203 PolarHBondContact ND2-OD1 3.03Å; L199-D203 WeakPolarHBondContact CA-OD2 3.43Å; L199-D203 HydrophobicContact CB-CB 4.22Å; L199-D203 HydrophobicContact CD2-CB 4.02Å; E200-D203 PolarHBondContact N-OD2 3.45Å; E200-D203 VanDerWaalsContact O-CB 3.24Å; E200-D203 WeakPolarHBondContact O-CB 3.35Å; E200-D203 PolarHBondContact O-N 2.92Å; E200-D203 VanDerWaalsContact O-N 3.14Å; P201-D203 PolarHBondContact O-N 3.08Å | ||
| 204 | Q | 98.4 | Very high | 93.4 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 28% | 0.276 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.4 | -179.8 | -66 | -169.2 | -26.4 | 0 | 0 | 111.6 | F143 T144 K170 N171 E202 W206 | F143-Q204 CarbonylContact O-C 3.58Å; F143-Q204 VanDerWaalsContact O-CA 3.24Å; F143-Q204 WeakPolarHBondContact O-CA 3.42Å; T144-Q204 HydrophobicContact CG2-CG 4.3Å; T144-Q204 PolarHBondContact OG1-NE2 2.91Å; K170-Q204 WeakPolarHBondContact CA-O 3.24Å; N171-Q204 PolarHBondContact N-O 2.82Å; N171-Q204 PolarHBondContact OD1-N 3.37Å; N171-Q204 PolarHBondContact OD1-O 2.78Å; E202-Q204 PolarHBondContact O-N 2.94Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.85Å |
| 205 | V | 98.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 135 | 174.8 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | F143 F153 V169 I175 L199 F227 | F143-V205 HydrophobicContact CD1-CB 4.41Å; F143-V205 PolarHBondContact N-O 3.36Å; F143-V205 PolarHBondContact O-N 3.06Å; F153-V205 HydrophobicContact CD1-CG1 3.93Å; F153-V205 HydrophobicContact CD2-CG1 4.1Å; F153-V205 HydrophobicContact CE1-CB 3.94Å; F153-V205 HydrophobicContact CE1-CG1 3.73Å; F153-V205 HydrophobicContact CE2-CB 4.19Å; F153-V205 HydrophobicContact CE2-CG1 3.94Å; F153-V205 HydrophobicContact CE2-CG2 3.95Å; F153-V205 HydrophobicContact CG-CG1 4.1Å; F153-V205 HydrophobicContact CZ-CB 3.71Å; F153-V205 HydrophobicContact CZ-CG1 3.76Å; F153-V205 HydrophobicContact CZ-CG2 3.81Å; V169-V205 WeakPolarHBondContact O-CA 3.33Å; V169-V205 WeakPolarHBondContact O-CG1 3.43Å; I175-V205 HydrophobicContact CD1-CG1 4.36Å; L199-V205 HydrophobicContact CD1-CG2 3.81Å; L199-V205 HydrophobicContact CD2-CG2 3.64Å; L199-V205 HydrophobicContact CG-CG2 4.39Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å |
| 206 | W | 98.4 | Very high | 93 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 174.8 | 175.9 | 65.3 | 92 | 0 | 0 | 0 | 112.2 | P122 K142 V169 Q204 Q208 | P122-W206 HydrophobicContact CB-CB 4.17Å; P122-W206 HydrophobicContact CB-CG 3.92Å; P122-W206 HydrophobicContact CG-CD2 4.31Å; P122-W206 HydrophobicContact CG-CG 4.05Å; K142-W206 HydrophobicContact CD-CE3 4.3Å; K142-W206 HydrophobicContact CG-CB 4.08Å; K142-W206 HydrophobicContact CG-CD2 4.46Å; K142-W206 HydrophobicContact CG-CE3 4.28Å; K142-W206 HydrophobicContact CG-CG 4.42Å; V169-W206 HydrophobicContact CB-CD2 4.14Å; V169-W206 HydrophobicContact CB-CG 4.42Å; V169-W206 HydrophobicContact CB-CZ2 4.22Å; V169-W206 HydrophobicContact CG1-CD2 4.21Å; V169-W206 HydrophobicContact CG1-CH2 3.94Å; V169-W206 HydrophobicContact CG1-CZ2 3.44Å; V169-W206 VanDerWaalsContact CG1-CZ2 3.44Å; V169-W206 HydrophobicContact CG1-CZ3 4.45Å; V169-W206 PolarHBondContact N-O 2.64Å; V169-W206 PolarHBondContact O-N 2.94Å; V169-W206 VanDerWaalsContact O-N 3.07Å; Q204-W206 HydrophobicContact CB-CE3 4.12Å; Q204-W206 HydrophobicContact CB-CZ3 3.85Å; W206-Q208 VanDerWaalsContact NE1-OE1 3.09Å |
| 207 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 134.4 | 171.7 | -177.2 | 0 | 0 | 0 | 0 | 108.2 | L123 F125 V155 F166 D167 L168 F227 | L123-V207 HydrophobicContact CB-CB 4.43Å; L123-V207 VanDerWaalsContact CB-O 3.26Å; L123-V207 WeakPolarHBondContact CB-O 3.35Å; L123-V207 HydrophobicContact CD2-CG1 4.31Å; L123-V207 PolarHBondContact N-O 3.28Å; F125-V207 HydrophobicContact CE2-CB 3.99Å; F125-V207 HydrophobicContact CE2-CG1 4.49Å; F125-V207 HydrophobicContact CE2-CG2 3.98Å; F125-V207 HydrophobicContact CZ-CG2 4.36Å; V155-V207 HydrophobicContact CG2-CG2 3.46Å; V155-V207 VanDerWaalsContact CG2-CG2 3.46Å; F166-V207 HydrophobicContact CB-CG1 3.87Å; F166-V207 HydrophobicContact CD2-CG1 3.83Å; F166-V207 HydrophobicContact CG-CG1 4Å; D167-V207 WeakPolarHBondContact O-CA 3.23Å; L168-V207 HydrophobicContact CD2-CG2 4.05Å; V207-F227 HydrophobicContact CG2-CD1 3.98Å; V207-F227 HydrophobicContact CG2-CD2 3.79Å; V207-F227 HydrophobicContact CG2-CE1 4.06Å; V207-F227 HydrophobicContact CG2-CE2 3.87Å; V207-F227 HydrophobicContact CG2-CG 3.85Å; V207-F227 HydrophobicContact CG2-CZ 4Å |
| 208 | Q | 94.7 | Very high | 92.7 | Very high | 39 Ų | 39 | 49.3 Ų | 49.3 | 18% | 0.182 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.8 | 171 | 76.2 | -170.6 | 7.5 | 0 | 0 | 110.7 | F166 D167 V169 W206 | F166-Q208 CarbonylContact C-O 3.54Å; F166-Q208 WeakPolarHBondContact CA-O 2.98Å; F166-Q208 WeakPolarHBondContact CB-O 3.41Å; D167-Q208 HydrophobicContact CB-CG 4.27Å; D167-Q208 PolarHBondContact N-O 2.87Å; D167-Q208 PolarHBondContact O-N 2.96Å; D167-Q208 VanDerWaalsContact O-N 3.08Å; V169-Q208 VanDerWaalsContact CG2-CD 3.45Å; V169-Q208 HydrophobicContact CG2-CG 3.6Å; W206-Q208 VanDerWaalsContact NE1-OE1 3.09Å |
| 209 | V | 91.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | trans | -84.2 | 118 | 169.5 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | Q165 V211 I215 | Q165-V209 WeakPolarHBondContact O-CG1 3.26Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.46Å; V209-I215 HydrophobicContact CB-CG2 4.39Å; V209-I215 HydrophobicContact CG1-CG2 3.83Å; V209-I215 HydrophobicContact CG2-CG2 4.36Å | ||
| 210 | G | 75.4 | Confident | 92.3 | Very high | 34 Ų | 34 | 44.5 Ų | 44.5 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -87 | -13.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 211 | V | 82.3 | Confident | 92.1 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 39% | 0.394 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -131.7 | 117.6 | 178.1 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | Q165 V209 D213 Y214 | Q165-V211 HydrophobicContact CG-CG2 4.38Å; V209-V211 VanDerWaalsContact CG1-O 3.26Å; V209-V211 WeakPolarHBondContact CG1-O 3.46Å; V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 2.94Å; V211-Y214 HydrophobicContact CB-CD2 3.73Å; V211-Y214 HydrophobicContact CB-CE2 4.3Å; V211-Y214 HydrophobicContact CB-CG 4.43Å; V211-Y214 HydrophobicContact CG1-CD2 3.71Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.39Å; V211-Y214 HydrophobicContact CG2-CD2 4.33Å; V211-Y214 PolarHBondContact O-N 2.78Å |
| 212 | G | 74.1 | Confident | 92 | Very high | 40 Ų | 40 | 53.4 Ų | 53.4 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.8 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I215 | G212-I215 WeakPolarHBondContact O-CG2 3.46Š|
| 213 | D | 82.6 | Confident | 92 | Very high | 135 Ų | 135 | 49 Ų | 49 | 72% | 0.722 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -14.2 | 179.5 | -65 | -34.3 | 0 | 0 | 0 | 113.5 | V211 I215 | V211-D213 VanDerWaalsContact C-N 3.26Å; V211-D213 PolarHBondContact O-N 2.94Å; D213-I215 PolarHBondContact O-N 3.06Å |
| 214 | Y | 92.8 | Very high | 91.9 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 35% | 0.353 | 27% | 0.273 | S | S | . | . | trans | -103.2 | 53.8 | -172.3 | -57.5 | -29.4 | 0 | 0 | 0 | 112.6 | S163 L164 Q165 F179 V211 | S163-Y214 CarbonylContact O-C 3.53Å; S163-Y214 WeakPolarHBondContact O-CA 3.49Å; L164-Y214 WeakPolarHBondContact CA-O 3.36Å; Q165-Y214 HydrophobicContact CB-CD2 3.82Å; Q165-Y214 HydrophobicContact CB-CG 4.17Å; Q165-Y214 HydrophobicContact CG-CD2 4.49Å; Q165-Y214 PolarHBondContact N-O 3.04Å; F179-Y214 HydrophobicContact CD2-CD2 4.18Å; F179-Y214 HydrophobicContact CD2-CE2 4.48Å; F179-Y214 HydrophobicContact CE2-CD1 4.41Å; F179-Y214 AromaticContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CD2 3.85Å; F179-Y214 HydrophobicContact CE2-CE1 4.49Å; F179-Y214 AromaticContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CE2 3.93Å; F179-Y214 HydrophobicContact CE2-CG 4.11Å; V211-Y214 HydrophobicContact CB-CD2 3.73Å; V211-Y214 HydrophobicContact CB-CE2 4.3Å; V211-Y214 HydrophobicContact CB-CG 4.43Å; V211-Y214 HydrophobicContact CG1-CD2 3.71Å; V211-Y214 HydrophobicContact CG1-CE2 3.87Å; V211-Y214 HydrophobicContact CG1-CG 4.39Å; V211-Y214 HydrophobicContact CG2-CD2 4.33Å; V211-Y214 PolarHBondContact O-N 2.78Å | ||
| 215 | I | 93.5 | Very high | 91.9 | Very high | 45 Ų | 45 | 48.4 Ų | 48.4 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 20.9 | -175.6 | 55.6 | 169.7 | 0 | 0 | 0 | 114 | P116 P117 S163 V209 G212 D213 I217 | P116-I215 HydrophobicContact CB-CD1 3.97Å; P117-I215 HydrophobicContact CG-CB 3.71Å; P117-I215 HydrophobicContact CG-CG2 4.16Å; S163-I215 PolarHBondContact O-N 2.94Å; V209-I215 HydrophobicContact CB-CG2 4.39Å; V209-I215 HydrophobicContact CG1-CG2 3.83Å; V209-I215 HydrophobicContact CG2-CG2 4.36Å; G212-I215 WeakPolarHBondContact O-CG2 3.46Å; D213-I215 PolarHBondContact O-N 3.06Å; I215-I217 PolarHBondContact O-N 2.96Å |
| 216 | G | 94.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 17.8 | -171 | 0 | 0 | 0 | 0 | 0 | 117.2 | V159 Y160 A162 S163 | V159-G216 CarbonylContact C-O 3.51Å; V159-G216 VanDerWaalsContact CA-O 3.29Å; V159-G216 WeakPolarHBondContact CA-O 3.5Å; Y160-G216 PolarHBondContact N-O 2.88Å; A162-G216 WeakPolarHBondContact O-CA 3.13Å; S163-G216 WeakPolarHBondContact O-CA 3.44Å; S163-G216 PolarHBondContact O-N 3.05Å |
| 217 | I | 95.1 | Very high | 91.9 | Very high | 17 Ų | 17 | 48.8 Ų | 48.8 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.9 | 177.7 | -166.2 | 169.1 | 0 | 0 | 0 | 110.5 | P117 L123 F125 A157 L164 I215 S225 | P117-I217 HydrophobicContact CB-CG2 4.3Å; P117-I217 HydrophobicContact CG-CG2 4.04Å; L123-I217 HydrophobicContact CD1-CG2 4.5Å; L123-I217 HydrophobicContact CD2-CD1 3.52Å; L123-I217 HydrophobicContact CD2-CG2 4.07Å; F125-I217 HydrophobicContact CZ-CD1 4.27Å; A157-I217 HydrophobicContact CB-CD1 4.13Å; A157-I217 HydrophobicContact CB-CG1 4.11Å; L164-I217 HydrophobicContact CD1-CB 3.75Å; L164-I217 HydrophobicContact CD1-CG2 4.49Å; L164-I217 HydrophobicContact CD2-CB 3.83Å; L164-I217 HydrophobicContact CD2-CG1 4.09Å; L164-I217 HydrophobicContact CG-CB 4.43Å; I215-I217 PolarHBondContact O-N 2.96Å; I217-S225 WeakPolarHBondContact CG1-OG 3.49Å |
| 218 | Y | 94.8 | Very high | 92 | Very high | 60 Ų | 60 | 50.2 Ų | 50.2 | 24% | 0.235 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153.1 | -168.5 | -165.4 | -108.4 | 0 | 0 | 0 | 113.2 | T158 Y160 S225 | T158-Y218 WeakPolarHBondContact CB-O 3.48Å; T158-Y218 HydrophobicContact CG2-CD1 4.22Å; T158-Y218 PolarHBondContact O-N 2.75Å; Y160-Y218 HydrophobicContact CD1-CD1 4.18Å; Y160-Y218 HydrophobicContact CD1-CD2 4.24Å; Y160-Y218 AromaticContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE1 3.97Å; Y160-Y218 HydrophobicContact CD1-CE2 4.06Å; Y160-Y218 HydrophobicContact CD1-CG 4.3Å; Y160-Y218 AromaticContact CD1-CZ 3.93Å; Y160-Y218 HydrophobicContact CG-CD1 4.44Å; Y218-S225 PolarHBondContact O-OG 2.88Å |
| 219 | A | 95.3 | Very high | 92.2 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | trans | -144.8 | 145.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | R110 T223 | R110-A219 HydrophobicContact CB-CB 4.26Å; A219-T223 CarbonylContact C-O 3.08Å; A219-T223 WeakPolarHBondContact CA-O 3.29Å | ||
| 220 | S | 93.3 | Very high | 92.5 | Very high | 28 Ų | 28 | 52.9 Ų | 52.9 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -148.9 | 176.5 | 177.3 | 75.2 | 0 | 0 | 0 | 0 | 110.5 | K222 T223 | S220-K222 PolarHBondContact O-N 2.95Å; S220-K222 PolarHBondContact OG-N 2.72Å; S220-T223 WeakPolarHBondContact CB-OG1 3.38Å; S220-T223 PolarHBondContact N-O 3.29Å; S220-T223 PolarHBondContact N-OG1 3.18Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact OG-N 2.54Å; S220-T223 PolarHBondContact OG-OG1 3.32Å |
| 221 | I | 91.3 | Very high | 93.5 | Very high | 140 Ų | 140 | 52.4 Ų | 52.4 | 72% | 0.718 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -29.6 | 173.4 | -56.8 | 169.8 | 0 | 0 | 0 | 113.6 | E112 | E112-I221 WeakPolarHBondContact OE1-CG1 3.46Å; E112-I221 PolarHBondContact OE1-N 3.19Å; E112-I221 PolarHBondContact OE2-N 2.83Å |
| 222 | K | 93.5 | Very high | 94.2 | Very high | 189 Ų | 189 | 52.6 Ų | 52.6 | 82% | 0.822 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | 2.8 | -175.8 | -67.3 | -64.7 | -172.4 | -177.9 | 0 | 114.6 | S220 | S220-K222 PolarHBondContact O-N 2.95Å; S220-K222 PolarHBondContact OG-N 2.72Å |
| 223 | T | 95.9 | Very high | 94.9 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 20% | 0.202 | 28% | 0.28 | C | S | . | . | B | Isolated β-bridge | trans | -141.6 | 130.4 | -176.8 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | T158 A219 S220 | T158-T223 HydrophobicContact CG2-CG2 4.25Å; A219-T223 CarbonylContact C-O 3.08Å; A219-T223 WeakPolarHBondContact CA-O 3.29Å; S220-T223 WeakPolarHBondContact CB-OG1 3.38Å; S220-T223 PolarHBondContact N-O 3.29Å; S220-T223 PolarHBondContact N-OG1 3.18Å; S220-T223 PolarHBondContact O-N 3.28Å; S220-T223 PolarHBondContact OG-N 2.54Å; S220-T223 PolarHBondContact OG-OG1 3.32Å |
| 224 | D | 97.4 | Very high | 95.3 | Very high | 69 Ų | 69 | 52.2 Ų | 52.2 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | trans | -114 | 156.4 | 179.5 | -64.7 | -76.7 | 0 | 0 | 0 | 111 | K109 T158 T226 | K109-D224 HydrophobicContact CD-CB 4.42Å; K109-D224 VanDerWaalsContact CD-OD1 3.31Å; K109-D224 WeakPolarHBondContact CD-OD1 3.42Å; K109-D224 WeakPolarHBondContact CE-OD1 3.47Å; K109-D224 IonicContact NZ-OD1 2.82Å; K109-D224 PolarHBondContact NZ-OD1 2.79Å; K109-D224 IonicContact NZ-OD2 3.67Å; T158-D224 PolarHBondContact OG1-O 3.33Å; D224-T226 HydrophobicContact CB-CG2 4.29Å | ||
| 225 | S | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -118.5 | 121.4 | 160.7 | -69.6 | 0 | 0 | 0 | 0 | 108 | K109 R110 F125 H156 A157 T158 I217 Y218 | K109-S225 CarbonylContact C-O 3.59Å; K109-S225 VanDerWaalsContact CA-O 3.25Å; K109-S225 WeakPolarHBondContact CA-O 3.33Å; K109-S225 WeakPolarHBondContact CB-O 3.5Å; R110-S225 PolarHBondContact N-O 3.26Å; F125-S225 WeakPolarHBondContact CD1-O 3.47Å; H156-S225 CarbonylContact O-C 3.58Å; H156-S225 VanDerWaalsContact O-CA 3.24Å; H156-S225 WeakPolarHBondContact O-CA 3.42Å; A157-S225 WeakPolarHBondContact CA-OG 3.2Å; T158-S225 PolarHBondContact N-OG 2.81Å; I217-S225 WeakPolarHBondContact CG1-OG 3.49Å; Y218-S225 PolarHBondContact O-OG 2.88Å | ||
| 226 | T | 98.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 55.5 Ų | 55.5 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 146.9 | -171.6 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | A108 K109 V155 H156 D224 | A108-T226 CarbonylContact O-C 3.57Å; A108-T226 VanDerWaalsContact O-CA 3.26Å; A108-T226 WeakPolarHBondContact O-CA 3.35Å; K109-T226 HydrophobicContact CB-CG2 4.01Å; V155-T226 WeakPolarHBondContact CA-O 3.41Å; H156-T226 PolarHBondContact N-O 2.9Å; H156-T226 PolarHBondContact O-N 2.84Å; D224-T226 HydrophobicContact CB-CG2 4.29Å |
| 227 | F | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 127.6 | 170.6 | 176.2 | -143.6 | 0 | 0 | 0 | 109 | F106 S107 A108 F125 Y136 F153 V155 L168 V205 V207 | F106-F227 AromaticContact CE2-CD1 3.66Å; F106-F227 HydrophobicContact CE2-CD1 3.66Å; F106-F227 AromaticContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CE1 3.76Å; F106-F227 HydrophobicContact CE2-CG 4.08Å; F106-F227 HydrophobicContact CE2-CZ 4.27Å; F106-F227 AromaticContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD1 3.94Å; F106-F227 HydrophobicContact CZ-CD2 4.44Å; F106-F227 AromaticContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE1 3.57Å; F106-F227 HydrophobicContact CZ-CE2 4.12Å; F106-F227 HydrophobicContact CZ-CG 4.36Å; F106-F227 AromaticContact CZ-CZ 3.68Å; F106-F227 HydrophobicContact CZ-CZ 3.68Å; S107-F227 WeakPolarHBondContact CA-O 3.27Å; A108-F227 PolarHBondContact N-O 2.87Å; A108-F227 PolarHBondContact O-N 2.84Å; F125-F227 HydrophobicContact CD1-CB 3.73Å; F125-F227 HydrophobicContact CD2-CB 3.67Å; F125-F227 HydrophobicContact CD2-CD1 4Å; F125-F227 HydrophobicContact CD2-CG 4.26Å; F125-F227 HydrophobicContact CE1-CB 3.71Å; F125-F227 HydrophobicContact CE2-CB 3.67Å; F125-F227 HydrophobicContact CE2-CD1 4.19Å; F125-F227 HydrophobicContact CE2-CG 4.19Å; F125-F227 HydrophobicContact CG-CB 3.73Å; F125-F227 HydrophobicContact CZ-CB 3.69Å; Y136-F227 AromaticContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CD1 3.99Å; Y136-F227 HydrophobicContact CE2-CE1 4.04Å; F153-F227 HydrophobicContact CB-CE2 4.23Å; F153-F227 AromaticContact CD1-CE2 3.74Å; F153-F227 HydrophobicContact CD1-CE2 3.74Å; F153-F227 AromaticContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CD1-CZ 3.8Å; F153-F227 HydrophobicContact CE1-CZ 4.31Å; F153-F227 HydrophobicContact CG-CE2 4.42Å; V155-F227 HydrophobicContact CG2-CD2 3.64Å; V155-F227 HydrophobicContact CG2-CE2 4.23Å; V155-F227 HydrophobicContact CG2-CG 4.37Å; L168-F227 HydrophobicContact CD2-CE2 3.77Å; L168-F227 HydrophobicContact CD2-CZ 4.29Å; V205-F227 HydrophobicContact CG1-CZ 4.49Å; V207-F227 HydrophobicContact CG2-CD1 3.98Å; V207-F227 HydrophobicContact CG2-CD2 3.79Å; V207-F227 HydrophobicContact CG2-CE1 4.06Å; V207-F227 HydrophobicContact CG2-CE2 3.87Å; V207-F227 HydrophobicContact CG2-CG 3.85Å; V207-F227 HydrophobicContact CG2-CZ 4Å |
| 228 | S | 98.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 67.3 Ų | 67.3 | 20% | 0.203 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 148.8 | -177.4 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | F106 S107 F153 A154 | F106-S228 WeakPolarHBondContact O-CA 3.49Å; S107-S228 WeakPolarHBondContact CB-OG 3.42Å; S107-S228 PolarHBondContact OG-OG 2.88Å; F153-S228 WeakPolarHBondContact CA-O 3.37Å; A154-S228 PolarHBondContact N-O 2.87Å; A154-S228 PolarHBondContact O-N 2.76Å |
| 229 | G | 98.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 145.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A105 F106 Y152 | A105-G229 CarbonylContact C-O 3.53Å; A105-G229 WeakPolarHBondContact CA-O 3.27Å; F106-G229 WeakPolarHBondContact CD1-O 3.31Å; F106-G229 PolarHBondContact N-O 2.93Å; F106-G229 PolarHBondContact O-N 2.96Å; Y152-G229 CarbonylContact O-C 3.57Å; Y152-G229 WeakPolarHBondContact O-CA 3.48Å |
| 230 | F | 98.3 | Very high | 84.9 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 152.8 | 177.6 | 60.2 | -91.1 | 0 | 0 | 0 | 112.5 | S104 A105 Y151 Y152 V232 | S104-F230 CarbonylContact O-C 3.49Å; S104-F230 VanDerWaalsContact O-CA 3.3Å; S104-F230 WeakPolarHBondContact O-CA 3.24Å; A105-F230 HydrophobicContact CB-CB 3.76Å; Y151-F230 VanDerWaalsContact CA-O 3.31Å; Y151-F230 WeakPolarHBondContact CA-O 3.45Å; Y151-F230 VanDerWaalsContact CD1-C 3.5Å; Y152-F230 AromaticContact CD1-CE1 3.63Å; Y152-F230 HydrophobicContact CD1-CE1 3.63Å; Y152-F230 AromaticContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CD1-CZ 3.74Å; Y152-F230 HydrophobicContact CE1-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CE1 4.48Å; Y152-F230 HydrophobicContact CG-CZ 4.33Å; Y152-F230 PolarHBondContact N-O 3.04Å; Y152-F230 PolarHBondContact O-N 3.43Å; F230-V232 HydrophobicContact CD2-CG2 4.27Å; F230-V232 HydrophobicContact CE2-CG2 3.97Å |
| 231 | L | 97.3 | Very high | 82.6 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 13% | 0.126 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 124.9 | 171.7 | 178.8 | 69.3 | 0 | 0 | 0 | 109.8 | P102 S104 V147 Y151 Y233 | P102-L231 HydrophobicContact CB-CD2 4.34Å; P102-L231 HydrophobicContact CG-CD2 4.13Å; P102-L231 WeakPolarHBondContact O-CD2 3.41Å; S104-L231 PolarHBondContact O-N 3.4Å; V147-L231 HydrophobicContact CB-CD2 4.35Å; V147-L231 HydrophobicContact CG1-CD2 3.83Å; Y151-L231 HydrophobicContact CD1-CB 4.18Å; Y151-L231 HydrophobicContact CD2-CD1 4.14Å; Y151-L231 HydrophobicContact CE1-CB 3.71Å; Y151-L231 HydrophobicContact CE1-CD1 4.21Å; Y151-L231 HydrophobicContact CE2-CD1 3.65Å; L231-Y233 VanDerWaalsContact CD1-O 3.25Å; L231-Y233 WeakPolarHBondContact CD1-O 3.37Å |
| 232 | V | 95.6 | Very high | 80.2 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 42% | 0.424 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -47.8 | 176.6 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V150 M196 F230 | V150-V232 WeakPolarHBondContact O-CB 3.25Å; V150-V232 PolarHBondContact O-N 2.96Å; M196-V232 HydrophobicContact CE-CB 4.42Å; M196-V232 HydrophobicContact CE-CG1 4.31Å; M196-V232 HydrophobicContact CE-CG2 4.11Å; F230-V232 HydrophobicContact CD2-CG2 4.27Å; F230-V232 HydrophobicContact CE2-CG2 3.97Å |
| 233 | Y | 90 | Very high | 77.6 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 49% | 0.49 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 145 | 171.2 | 60.6 | -96.7 | 0 | 0 | 0 | 110.4 | G149 V150 L231 D235 | G149-Y233 WeakPolarHBondContact CA-O 3.2Å; V150-Y233 HydrophobicContact CB-CD1 4.24Å; V150-Y233 HydrophobicContact CB-CD2 4.49Å; V150-Y233 HydrophobicContact CB-CE1 3.71Å; V150-Y233 HydrophobicContact CB-CE2 3.98Å; V150-Y233 HydrophobicContact CG1-CE1 4.21Å; V150-Y233 HydrophobicContact CG2-CE1 4Å; V150-Y233 HydrophobicContact CG2-CE2 3.65Å; V150-Y233 WeakPolarHBondContact CG2-OH 3.41Å; V150-Y233 PolarHBondContact N-O 3.1Å; L231-Y233 VanDerWaalsContact CD1-O 3.25Å; L231-Y233 WeakPolarHBondContact CD1-O 3.37Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.44Å |
| 234 | S | 90.3 | Very high | 76.7 | Confident | 42 Ų | 42 | 81.4 Ų | 81.4 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.5 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | P102 P148 W236 | P102-S234 VanDerWaalsContact CG-CB 3.45Å; P102-S234 WeakPolarHBondContact CG-OG 3.42Å; P148-S234 WeakPolarHBondContact O-CA 3.3Å; S234-W236 VanDerWaalsContact C-N 3.26Å |
| 235 | D | 84 | Confident | 75.6 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 16% | 0.155 | 46% | 0.46 | C | S | . | . | trans | -88.4 | 8.2 | 172.1 | -71.9 | -21.1 | 0 | 0 | 0 | 112.6 | P148 R198 Y233 H237 | P148-D235 PolarHBondContact O-N 2.87Å; R198-D235 IonicContact CZ-OD2 2.98Å; R198-D235 IonicContact NE-OD2 2.76Å; R198-D235 PolarHBondContact NE-OD2 2.88Å; R198-D235 IonicContact NH1-OD2 3.06Å; R198-D235 PolarHBondContact NH1-OD2 2.82Å; R198-D235 IonicContact NH2-OD2 3.33Å; R198-D235 PolarHBondContact NH2-OD2 3.04Å; Y233-D235 WeakPolarHBondContact CE2-OD1 3.44Å; D235-H237 VanDerWaalsContact C-N 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.21Å | ||
| 236 | W | 70.8 | Confident | 74.4 | Confident | 174 Ų | 174 | 86.6 Ų | 86.6 | 66% | 0.659 | 49% | 0.485 | S | S | * | . | trans | -61.5 | 92.6 | 171.3 | -100.7 | -5.9 | 0 | 0 | 0 | 110.1 | P102 S234 S238 | P102-W236 HydrophobicContact CB-CE3 4.39Å; P102-W236 HydrophobicContact CB-CZ3 4.34Å; P102-W236 HydrophobicContact CG-CE3 4.35Å; S234-W236 VanDerWaalsContact C-N 3.26Å; W236-S238 PolarHBondContact O-N 3.2Å | ||
| 237 | H | 59.7 | Low | 73 | Confident | 147 Ų | 147 | 90 Ų | 90 | 68% | 0.681 | 50% | 0.503 | S | S | * | . | trans | -70.9 | 115.5 | 163.6 | -70.5 | 68.1 | 0 | 0 | 0 | 106.2 | D235 S239 | D235-H237 VanDerWaalsContact C-N 3.3Å; D235-H237 PolarHBondContact O-N 3.25Å; D235-H237 PolarHBondContact O-ND1 3.21Å; H237-S239 PolarHBondContact O-N 3.49Å | ||
| 238 | S | 51.6 | Low | 71.4 | Confident | 121 Ų | 121 | 95.6 Ų | 95.6 | 85% | 0.846 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -58.2 | 90.4 | 159.5 | 42.4 | 0 | 0 | 0 | 0 | 108 | W236 | W236-S238 PolarHBondContact O-N 3.2Š|
| 239 | S | 39.6 | Very low | 69.6 | Low | 84 Ų | 84 | 100.1 Ų | 100.1 | 59% | 0.587 | 56% | 0.557 | S | S | * | * | trans | 70.2 | 109.5 | 178.6 | -53.1 | 0 | 0 | 0 | 0 | 116.8 | H237 V241 | H237-S239 PolarHBondContact O-N 3.49Å; S239-V241 PolarHBondContact O-N 3.16Å | ||
| 240 | P | 42.6 | Very low | 67.5 | Low | 123 Ų | 123 | 107.1 Ų | 107.1 | 80% | 0.799 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 20.1 | 170.3 | 31.1 | -35.2 | 0 | 0 | 0 | 114.1 | ||
| 241 | V | 43.9 | Very low | 65.1 | Low | 105 Ų | 105 | 108.1 Ų | 108.1 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -11.1 | -172.1 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | S239 | S239-V241 PolarHBondContact O-N 3.16Š|
| 242 | F | 41.2 | Very low | 62.4 | Low | 194 Ų | 194 | 115.1 Ų | 115.1 | 85% | 0.851 | 65% | 0.65 | S | S | * | * | trans | -139.9 | 71.3 | 178.5 | -60.1 | -78.1 | 0 | 0 | 0 | 111.1 | ||||
| 243 | A | 39.9 | Very low | 59.4 | Low | 167 Ų | 167 | 119.2 Ų | 119.2 | 100% | 1.38 | 67% | 0.671 | S | S | * | * | trans | -137 | 0 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.8 |
Retrieved 243 of 243 residues in 621.5 ms
(Link to these results)