| 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 | 39.1 | Very low | 47.9 | Very low | 211 Ų | 211 | 129.9 Ų | 129.9 | 100% | 1.039 | 74% | 0.74 | S | S | * | * | 0 | 124.7 | 0 | -73.7 | 73.6 | -179.6 | 0 | 0 | 108.6 | |||||
| 2 | K | 42.6 | Very low | 47.7 | Very low | 211 Ų | 211 | 128.6 Ų | 128.6 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -79.4 | 116.3 | 178.2 | -84.9 | 161 | 162.4 | 163.7 | 0 | 108.8 | K4 | K2-K4 PolarHBondContact O-N 3.3Š| ||
| 3 | I | 51 | Low | 47.9 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | trans | -65.5 | 116.3 | 170.7 | -56.4 | 144.1 | 0 | 0 | 0 | 106.2 | F5 M196 | I3-F5 HydrophobicContact CB-CD2 4.45Å; I3-F5 HydrophobicContact CB-CE2 4.37Å; I3-F5 HydrophobicContact CG2-CD2 3.74Å; I3-F5 HydrophobicContact CG2-CE2 3.44Å; I3-F5 VanDerWaalsContact CG2-CE2 3.44Å; I3-F5 HydrophobicContact CG2-CZ 4.31Å; I3-F5 PolarHBondContact O-N 3.12Å; I3-F5 VanDerWaalsContact O-N 3.15Å; I3-M196 HydrophobicContact CD1-CE 3.89Å | ||
| 4 | K | 48.8 | Very low | 48.1 | Very low | 192 Ų | 192 | 124.9 Ų | 124.9 | 84% | 0.835 | 75% | 0.749 | S | S | * | * | trans | -86.8 | 86.5 | -175.3 | -163.1 | 166.7 | -178.7 | 170.2 | 0 | 108.6 | K2 V6 | K2-K4 PolarHBondContact O-N 3.3Å; K4-V6 HydrophobicContact CG-CG2 4.44Å; K4-V6 PolarHBondContact O-N 3.37Å | ||
| 5 | F | 56.6 | Low | 48.6 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 49% | 0.491 | 75% | 0.751 | S | S | . | * | trans | -77.1 | 112.1 | 159.4 | -77.3 | -83.8 | 0 | 0 | 0 | 107.8 | I3 L7 E199 | I3-F5 HydrophobicContact CB-CD2 4.45Å; I3-F5 HydrophobicContact CB-CE2 4.37Å; I3-F5 HydrophobicContact CG2-CD2 3.74Å; I3-F5 HydrophobicContact CG2-CE2 3.44Å; I3-F5 VanDerWaalsContact CG2-CE2 3.44Å; I3-F5 HydrophobicContact CG2-CZ 4.31Å; I3-F5 PolarHBondContact O-N 3.12Å; I3-F5 VanDerWaalsContact O-N 3.15Å; F5-L7 HydrophobicContact CB-CD1 4.35Å; F5-L7 HydrophobicContact CB-CG 4.36Å; F5-L7 PolarHBondContact O-N 3.44Å; F5-L7 VanDerWaalsContact O-N 3.08Å; F5-E199 HydrophobicContact CE2-CG 4.37Å; F5-E199 HydrophobicContact CZ-CG 3.85Å; F5-E199 WeakPolarHBondContact CZ-OE1 3.39Å | ||
| 6 | V | 55.3 | Low | 49 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 55% | 0.552 | 75% | 0.75 | S | S | * | * | trans | -80 | 78.9 | 162.5 | 180 | 0 | 0 | 0 | 0 | 106.2 | K4 G8 | K4-V6 HydrophobicContact CG-CG2 4.44Å; K4-V6 PolarHBondContact O-N 3.37Å; V6-G8 PolarHBondContact O-N 3.22Å | ||
| 7 | L | 54 | Low | 48.6 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | -79.4 | 100.5 | 162.9 | -79 | 159.9 | 0 | 0 | 0 | 106.3 | F5 G9 | F5-L7 HydrophobicContact CB-CD1 4.35Å; F5-L7 HydrophobicContact CB-CG 4.36Å; F5-L7 PolarHBondContact O-N 3.44Å; F5-L7 VanDerWaalsContact O-N 3.08Å; L7-G9 PolarHBondContact O-N 2.88Å | ||
| 8 | G | 43.3 | Very low | 48.6 | Very low | 66 Ų | 66 | 124.3 Ų | 124.3 | 68% | 0.68 | 75% | 0.754 | S | S | * | * | trans | -53.5 | 136 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | V6 | V6-G8 PolarHBondContact O-N 3.22Š| ||
| 9 | G | 41.4 | Very low | 48.5 | Very low | 65 Ų | 65 | 126.3 Ų | 126.3 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | trans | -59.1 | 172.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L7 A11 | L7-G9 PolarHBondContact O-N 2.88Å; G9-A11 PolarHBondContact O-N 3.42Å; G9-A11 VanDerWaalsContact O-N 3.15Å | ||
| 10 | P | 46 | Very low | 48.3 | Very low | 126 Ų | 126 | 123.3 Ų | 123.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -70.1 | 114.1 | -165.8 | 29.7 | -33.5 | 0 | 0 | 0 | 110.4 | S12 | P10-S12 PolarHBondContact O-N 2.9Š| ||
| 11 | A | 48.3 | Very low | 48.2 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | trans | -70.6 | 107.9 | 153.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | G9 A13 | G9-A11 PolarHBondContact O-N 3.42Å; G9-A11 VanDerWaalsContact O-N 3.15Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.15Å | ||
| 12 | S | 45.7 | Very low | 48.3 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -54.7 | 95.1 | 166.8 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | P10 S14 | P10-S12 PolarHBondContact O-N 2.9Å; S12-S14 PolarHBondContact O-N 3.38Å | ||
| 13 | A | 50.8 | Low | 48.6 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -89.2 | 98.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | A11 I15 | A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.15Å; A13-I15 PolarHBondContact O-N 3.29Å | ||
| 14 | S | 50.2 | Low | 48.6 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -51.1 | 125.1 | 170.3 | -52.2 | 0 | 0 | 0 | 0 | 110.5 | S12 P16 | S12-S14 PolarHBondContact O-N 3.38Å; S14-P16 WeakPolarHBondContact O-CD 2.87Å | ||
| 15 | I | 55.7 | Low | 48.8 | Very low | 152 Ų | 152 | 112.4 Ų | 112.4 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -68.4 | 123.3 | 171.2 | -58.9 | 174.4 | 0 | 0 | 0 | 107.9 | A13 T17 | A13-I15 PolarHBondContact O-N 3.29Å; I15-T17 PolarHBondContact O-N 3.14Å | ||
| 16 | P | 55.5 | Low | 48.7 | Very low | 114 Ų | 114 | 116.5 Ų | 116.5 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 114.7 | 166 | 27.9 | -29.9 | 0 | 0 | 0 | 109.4 | S14 A18 | S14-P16 WeakPolarHBondContact O-CD 2.87Å; P16-A18 PolarHBondContact O-N 3.2Å; P16-A18 VanDerWaalsContact O-N 3.12Å | ||
| 17 | T | 41.9 | Very low | 49 | Very low | 131 Ų | 131 | 117.4 Ų | 117.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -62.8 | 104.3 | 162.5 | -58 | 0 | 0 | 0 | 0 | 108.6 | I15 | I15-T17 PolarHBondContact O-N 3.14Š| ||
| 18 | A | 49 | Very low | 49.7 | Very low | 92 Ų | 92 | 116.2 Ų | 116.2 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | -107.1 | 111.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | P16 | P16-A18 PolarHBondContact O-N 3.2Å; P16-A18 VanDerWaalsContact O-N 3.12Å | ||
| 19 | N | 46.1 | Very low | 50.6 | Low | 163 Ų | 163 | 118.7 Ų | 118.7 | 87% | 0.872 | 78% | 0.783 | S | S | * | * | trans | -55.5 | 139.7 | 166.1 | -76.8 | -34 | 0 | 0 | 0 | 110.5 | ||||
| 20 | G | 44.2 | Very low | 50.9 | Low | 66 Ų | 66 | 120 Ų | 120 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | 144.3 | 85.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 21 | N | 45.8 | Very low | 50.7 | Low | 173 Ų | 173 | 120 Ų | 120 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | 44.2 | 104.6 | 141.8 | -57.9 | 2.4 | 0 | 0 | 0 | 118.3 | ||||
| 22 | G | 41.9 | Very low | 50.6 | Low | 62 Ų | 62 | 120.7 Ų | 120.7 | 64% | 0.639 | 79% | 0.788 | S | S | * | * | trans | 135 | 123.1 | 140.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 23 | L | 48.9 | Very low | 50.8 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | 84.4 | 95.5 | 140.7 | -24.8 | -177.1 | 0 | 0 | 0 | 117.1 | ||||
| 24 | V | 52.2 | Low | 50.9 | Low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 80% | 0.801 | S | S | * | * | trans | 49.1 | 103.7 | 137.1 | -53 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 25 | A | 51.1 | Low | 50.8 | Low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -144.5 | 113.1 | 151.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 26 | F | 56.2 | Low | 50.5 | Low | 198 Ų | 198 | 131 Ų | 131 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 129.3 | -179.4 | -69.9 | -98.7 | 0 | 0 | 0 | 111.1 | ||
| 27 | S | 61 | Low | 50.1 | Low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 141.6 | 168.3 | -54.7 | 0 | 0 | 0 | 0 | 111 | ||
| 28 | P | 68 | Low | 50.5 | Low | 118 Ų | 118 | 131.1 Ų | 131.1 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143.7 | 168 | 30.3 | -32.1 | 0 | 0 | 0 | 110.4 | A30 | P28-A30 PolarHBondContact O-N 3.27Š|
| 29 | P | 62.4 | Low | 50.3 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 117.4 | 177.2 | 28.4 | -31.9 | 0 | 0 | 0 | 110.7 | C31 | P29-C31 PolarHBondContact O-N 3.37Š|
| 30 | A | 47.8 | Very low | 50.9 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 107.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | P28 S32 | P28-A30 PolarHBondContact O-N 3.27Å; A30-S32 PolarHBondContact O-N 3.37Å; A30-S32 VanDerWaalsContact O-N 3.14Å | ||
| 31 | C | 42.8 | Very low | 51.8 | Low | 124 Ų | 124 | 130.8 Ų | 130.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -78.9 | 90.3 | 168.7 | -48.2 | 0 | 0 | 0 | 0 | 109.1 | P29 | P29-C31 PolarHBondContact O-N 3.37Š| ||
| 32 | S | 44.4 | Very low | 53 | Low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 119.2 | 160.2 | -58 | 0 | 0 | 0 | 0 | 109.5 | A30 | A30-S32 PolarHBondContact O-N 3.37Å; A30-S32 VanDerWaalsContact O-N 3.14Å | ||
| 33 | R | 51.4 | Low | 53.7 | Low | 254 Ų | 254 | 131.7 Ų | 131.7 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -137.5 | 141.4 | 151.4 | -85.1 | -166.7 | -169.2 | -143 | 0.2 | 111.3 | ||||
| 34 | K | 53.4 | Low | 53.5 | Low | 201 Ų | 201 | 129 Ų | 129 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -69.5 | 154.9 | -162 | 67.2 | 166.6 | -170 | -77.9 | 0 | 116.8 | ||||
| 35 | S | 46.3 | Very low | 53.5 | Low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -62.2 | -170.3 | 159 | -58.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 36 | P | 51 | Low | 53.5 | Low | 132 Ų | 132 | 132.5 Ų | 132.5 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | cis | -130.2 | 170.7 | -42.4 | 26.1 | -5.8 | 0 | 0 | 0 | 112.8 | ||||
| 37 | G | 46.1 | Very low | 52.7 | Low | 71 Ų | 71 | 126.2 Ų | 126.2 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 169.5 | 99.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | D | 49.9 | Very low | 52 | Low | 175 Ų | 175 | 132.5 Ų | 132.5 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | 71.7 | 121.2 | 93.1 | -155.7 | -87.3 | 0 | 0 | 0 | 113.2 | |||||
| 39 | G | 45.8 | Very low | 51.2 | Low | 57 Ų | 57 | 135 Ų | 135 | 59% | 0.588 | 81% | 0.807 | S | S | * | * | trans | 133.8 | 77 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 40 | T | 58.1 | Low | 50.1 | Low | 140 Ų | 140 | 134.6 Ų | 134.6 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | 58.6 | 126.8 | 134.8 | 30.6 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 41 | P | 63.9 | Low | 50.5 | Low | 118 Ų | 118 | 135.7 Ų | 135.7 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | trans | -101.1 | 163.4 | 162.6 | 38.4 | -30.4 | 0 | 0 | 0 | 112.8 | ||||
| 42 | P | 70.3 | Confident | 50.7 | Low | 126 Ų | 126 | 135.5 Ų | 135.5 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -123.2 | 161.8 | 154.1 | 35.5 | -24.7 | 0 | 0 | 0 | 114.8 | ||||
| 43 | P | 55.9 | Low | 50.9 | Low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | trans | -108.3 | 172.1 | -152.7 | 39.9 | -31.8 | 0 | 0 | 0 | 116.4 | ||||
| 44 | S | 44.9 | Very low | 50.7 | Low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -59.3 | 148.3 | 177.9 | -45.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 45 | S | 54 | Low | 50.4 | Low | 114 Ų | 114 | 124.5 Ų | 124.5 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | trans | -161.1 | 106 | 155.1 | -72 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 46 | H | 50.3 | Low | 50.4 | Low | 187 Ų | 187 | 126.3 Ų | 126.3 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | 69.5 | 123.9 | 85.4 | -69 | 121.9 | 0 | 0 | 0 | 116.3 | |||||
| 47 | G | 39.9 | Very low | 50.4 | Low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | trans | 112.9 | 99.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 48 | R | 45 | Very low | 50.7 | Low | 243 Ų | 243 | 133.6 Ų | 133.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | 58.5 | 121.9 | 100.6 | -54.8 | -110.3 | -144.2 | -126.8 | 2.9 | 110.7 | |||||
| 49 | I | 51.6 | Low | 50.8 | Low | 171 Ų | 171 | 132.7 Ų | 132.7 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | -176 | 143.7 | 69.1 | -2.7 | 168.6 | 0 | 0 | 0 | 108.8 | |||||
| 50 | S | 40.1 | Very low | 50.9 | Low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -96.7 | -174.4 | 166.8 | -44.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 51 | P | 56.3 | Low | 50.5 | Low | 116 Ų | 116 | 140.9 Ų | 140.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -131 | -170.5 | -20.3 | 31.5 | -9 | 0 | 0 | 0 | 113.3 | ||||
| 52 | T | 46.5 | Very low | 49.6 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | trans | 112.6 | 139 | 147 | -58.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 53 | V | 47.7 | Very low | 48.7 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | 85.5 | 110.6 | 161.4 | -71.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 54 | S | 47 | Very low | 48 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 80% | 0.795 | S | S | * | * | 89.4 | 106.1 | 122.1 | -61 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 55 | A | 48.6 | Very low | 48.4 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | 38.8 | 119.7 | 126.8 | 0 | 0 | 0 | 0 | 0 | 120 | |||||
| 56 | D | 46.6 | Very low | 48.1 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | -172.1 | 141.6 | 106.3 | -165.6 | -122.7 | 0 | 0 | 0 | 111.3 | |||||
| 57 | R | 49.4 | Very low | 47.6 | Very low | 179 Ų | 179 | 142.7 Ų | 142.7 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | 40.4 | 128.9 | 157 | -80.4 | -177.3 | 160.5 | -140.1 | 0.2 | 121.3 | ||||
| 58 | L | 53.6 | Low | 47.8 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 93% | 0.927 | 80% | 0.799 | S | S | * | * | -156.3 | 128.9 | 111.2 | -121.5 | 78.6 | 0 | 0 | 0 | 112.3 | |||||
| 59 | K | 51.4 | Low | 47.8 | Very low | 157 Ų | 157 | 138.4 Ų | 138.4 | 68% | 0.683 | 79% | 0.793 | S | S | * | * | trans | -46.8 | 142.4 | 175.4 | -83.3 | 151.1 | 161.8 | -116.3 | 0 | 116.2 | ||||
| 60 | R | 48.8 | Very low | 47.4 | Very low | 250 Ų | 250 | 135.3 Ų | 135.3 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | 159.2 | 142.5 | 128.6 | -89.3 | 152.5 | -163.6 | -145.9 | 0.7 | 109.5 | |||||
| 61 | S | 49.7 | Very low | 47.7 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | cis | -166.6 | 121 | -22.8 | -172 | 0 | 0 | 0 | 0 | 102.5 | ||||
| 62 | V | 43.9 | Very low | 46.9 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -96.1 | 125.7 | 177 | -85.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 63 | N | 52.2 | Low | 46.7 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | trans | -117.4 | 100 | 163.9 | -170.7 | 38 | 0 | 0 | 0 | 108.7 | ||||
| 64 | T | 41.4 | Very low | 46.6 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 124.7 | 163.9 | -70.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 65 | S | 52.9 | Low | 46.8 | Very low | 81 Ų | 81 | 138.3 Ų | 138.3 | 57% | 0.566 | 79% | 0.788 | S | S | * | * | trans | -144.4 | 101.3 | 155.6 | -71.5 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 66 | R | 47 | Very low | 46.3 | Very low | 240 Ų | 240 | 136.6 Ų | 136.6 | 91% | 0.906 | 78% | 0.78 | S | S | * | * | 81.3 | 123.8 | 103.9 | -73.1 | 174.4 | -168.8 | -159.8 | 3.2 | 112.7 | |||||
| 67 | G | 39.6 | Very low | 46.5 | Very low | 81 Ų | 81 | 137.9 Ų | 137.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 133.2 | 97.2 | 149.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 68 | S | 43.8 | Very low | 46.5 | Very low | 123 Ų | 123 | 135 Ų | 135 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -75 | 165.3 | 175.8 | -48.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 69 | A | 45.1 | Very low | 45.9 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | trans | 98.1 | 128.6 | 150.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 70 | S | 42.8 | Very low | 45.5 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | trans | -32.6 | 149.7 | 166.4 | 54.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 71 | I | 48.1 | Very low | 45.4 | Very low | 166 Ų | 166 | 120.7 Ų | 120.7 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -174.2 | 130.2 | 129.5 | -89.5 | 145.8 | 0 | 0 | 0 | 107.4 | |||||
| 72 | G | 38 | Very low | 45.5 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -68 | 154.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 73 | N | 43.7 | Very low | 46 | Very low | 136 Ų | 136 | 122.5 Ų | 122.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -150.8 | 112.8 | 161.8 | -160.9 | 51.2 | 0 | 0 | 0 | 110.9 | H75 | N73-H75 PolarHBondContact ND2-ND1 2.8Å; N73-H75 PolarHBondContact OD1-CE1 3.5Å; N73-H75 PolarHBondContact OD1-ND1 3.46Å | ||
| 74 | S | 45.7 | Very low | 45.8 | Very low | 108 Ų | 108 | 121 Ų | 121 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | -92.4 | 122.5 | 171.1 | 37.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 75 | H | 50.5 | Low | 46.2 | Very low | 163 Ų | 163 | 122.4 Ų | 122.4 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -157.2 | 117.9 | 162.1 | -72.4 | 80.8 | 0 | 0 | 0 | 105.4 | N73 | N73-H75 PolarHBondContact ND2-ND1 2.8Å; N73-H75 PolarHBondContact OD1-CE1 3.5Å; N73-H75 PolarHBondContact OD1-ND1 3.46Å | ||
| 76 | G | 38.6 | Very low | 45.9 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | cis | 94.7 | 85.2 | 17.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 77 | I | 51 | Low | 46.2 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | trans | -168.6 | 129 | 145.5 | 38.8 | 167.1 | 0 | 0 | 0 | 112.8 | ||||
| 78 | S | 48.7 | Very low | 46.6 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | 68.1 | 119.8 | 144.3 | -46.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 79 | G | 40.7 | Very low | 47.2 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | cis | 126.3 | 112.9 | 25 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 80 | G | 43.2 | Very low | 47.4 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | 170.8 | 81.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 81 | S | 47.3 | Very low | 47.7 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -78.6 | 138.9 | 179.7 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 82 | S | 51.1 | Low | 47.6 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -164.4 | 107.2 | 145.2 | -85.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 83 | K | 54.2 | Low | 48 | Very low | 188 Ų | 188 | 127.2 Ų | 127.2 | 82% | 0.817 | 78% | 0.777 | S | S | * | * | trans | 65.3 | 94.6 | 133.5 | -60.1 | 176.9 | 179.9 | 177.6 | 0 | 119.9 | ||||
| 84 | S | 47.8 | Very low | 48.2 | Very low | 116 Ų | 116 | 131 Ų | 131 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | 28.5 | 118.2 | 122.2 | -31.1 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 85 | N | 49.7 | Very low | 48.3 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -149.5 | 103.9 | 134.8 | -134 | 14.8 | 0 | 0 | 0 | 110.4 | ||||
| 86 | A | 47.9 | Very low | 48.1 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -92.4 | 134.4 | 165 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 87 | R | 52.3 | Low | 48.3 | Very low | 233 Ų | 233 | 130.1 Ų | 130.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -139.4 | 111.6 | 162.6 | -80.6 | -165.7 | 169.3 | -144.2 | -1.6 | 110.1 | ||||
| 88 | P | 47.9 | Very low | 48.1 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | -91.9 | 143.3 | 149.8 | 32.4 | -22.2 | 0 | 0 | 0 | 109 | ||||
| 89 | N | 58.3 | Low | 48 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -122.2 | 107.4 | 172.4 | -169.2 | 3.6 | 0 | 0 | 0 | 109.9 | ||||
| 90 | T | 48 | Very low | 48.5 | Very low | 109 Ų | 109 | 130.6 Ų | 130.6 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | trans | -126.6 | 131.6 | 172.8 | -15.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 91 | Q | 49 | Very low | 48.7 | Very low | 179 Ų | 179 | 131.5 Ų | 131.5 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | trans | 66.3 | 123.2 | 151.3 | -100 | 164 | 4.9 | 0 | 0 | 121.4 | ||||
| 92 | S | 45.4 | Very low | 48.7 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | 108.9 | 134.1 | 120.5 | -160.9 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 93 | S | 47.3 | Very low | 48.6 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 59% | 0.587 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 144.1 | 157.3 | -56.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 94 | Y | 48.7 | Very low | 48.5 | Very low | 214 Ų | 214 | 129.5 Ų | 129.5 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | cis | -166.6 | 127.1 | 38.6 | -11.9 | -97.1 | 0 | 0 | 0 | 103.1 | ||||
| 95 | G | 46.4 | Very low | 48.3 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | 100.8 | 106.6 | 68.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 96 | T | 46 | Very low | 47.7 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 98% | 0.982 | 77% | 0.772 | S | S | * | * | trans | -171.7 | 137.6 | 135.9 | 19.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 97 | A | 43.7 | Very low | 47.7 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | -97.7 | 155.1 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 98 | T | 46.5 | Very low | 47.3 | Very low | 137 Ų | 137 | 121.9 Ų | 121.9 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -175.9 | 103.9 | 138 | 39.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 99 | T | 47.3 | Very low | 47.1 | Very low | 114 Ų | 114 | 121.4 Ų | 121.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 81.7 | 104 | 83.9 | -55.4 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 100 | V | 50.4 | Low | 46.5 | Very low | 130 Ų | 130 | 119.1 Ų | 119.1 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 53.9 | 146.3 | 141.7 | -44.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 101 | S | 47.1 | Very low | 46.5 | Very low | 99 Ų | 99 | 123 Ų | 123 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | cis | -169.3 | 147 | 35.6 | -83.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 102 | S | 48.6 | Very low | 46.8 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 39.9 | 118.1 | 131.7 | -31.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 103 | T | 49 | Very low | 47 | Very low | 128 Ų | 128 | 120.3 Ų | 120.3 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 42.5 | 119.6 | 128.6 | 60.8 | 0 | 0 | 0 | 0 | 121 | |||||
| 104 | T | 51.5 | Low | 46.8 | Very low | 145 Ų | 145 | 122.2 Ų | 122.2 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | 177.1 | 129 | 128.6 | 29.7 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 105 | G | 42.8 | Very low | 46.7 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | 93.3 | 109.1 | 81.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 106 | G | 37.9 | Very low | 46.6 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -72.1 | 160.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 107 | S | 48.1 | Very low | 46.6 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -178 | 147.4 | 146 | -82.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 108 | N | 43.5 | Very low | 46.8 | Very low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 165.6 | -177.9 | -69.7 | -50.1 | 0 | 0 | 0 | 114.2 | ||||
| 109 | S | 43.4 | Very low | 46.9 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 99.5 | 112.3 | 144.5 | -51.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 110 | S | 45.6 | Very low | 46.8 | Very low | 114 Ų | 114 | 121 Ų | 121 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | 69.3 | 100 | 129.2 | -47.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 111 | Q | 49.1 | Very low | 46.4 | Very low | 191 Ų | 191 | 122.2 Ų | 122.2 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | 161.4 | 152.8 | 113.8 | -102.7 | -163.1 | -75.3 | 0 | 0 | 113.6 | |||||
| 112 | P | 54.2 | Low | 46.5 | Very low | 104 Ų | 104 | 125.9 Ų | 125.9 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | trans | -106.4 | -161.8 | -177.1 | 44.2 | -34.6 | 0 | 0 | 0 | 111.9 | ||||
| 113 | P | 50.5 | Low | 46.2 | Very low | 107 Ų | 107 | 128 Ų | 128 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -117.9 | -166.7 | -31.8 | 24.4 | -2.1 | 0 | 0 | 0 | 110.6 | ||||
| 114 | L | 42.8 | Very low | 46.2 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | trans | 158.6 | 130.3 | 132.9 | -81.3 | 172.4 | 0 | 0 | 0 | 115.3 | ||||
| 115 | Y | 47.1 | Very low | 45.6 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | trans | 78.8 | 121.8 | 152.7 | -45.2 | -57.5 | 0 | 0 | 0 | 124.8 | ||||
| 116 | S | 43.9 | Very low | 45.8 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 100.7 | 86.8 | 135.5 | -55.6 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 117 | T | 45.8 | Very low | 46.3 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | 20.2 | 167.5 | 125.6 | 60.7 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 118 | P | 48.7 | Very low | 46.3 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | -139.7 | 160.6 | -56.2 | 40.2 | -22 | 0 | 0 | 0 | 114.4 | |||||
| 119 | S | 48.1 | Very low | 46.9 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 92% | 0.923 | 76% | 0.763 | S | S | * | * | trans | -169 | 123.4 | 157.3 | -84.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 120 | G | 44.7 | Very low | 48.3 | Very low | 77 Ų | 77 | 126.5 Ų | 126.5 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 99.9 | 79.7 | 150 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 121 | N | 41.1 | Very low | 50.2 | Low | 157 Ų | 157 | 124.5 Ų | 124.5 | 84% | 0.84 | 75% | 0.745 | S | S | * | * | trans | -60.5 | 132.6 | 165 | -68.5 | 11 | 0 | 0 | 0 | 112.1 | ||||
| 122 | H | 49.9 | Very low | 52.1 | Low | 175 Ų | 175 | 117.4 Ų | 117.4 | 81% | 0.81 | 71% | 0.713 | S | S | * | * | -169.9 | 105 | 123.3 | -104.6 | -78.9 | 0 | 0 | 0 | 109 | |||||
| 123 | N | 41.8 | Very low | 54 | Low | 144 Ų | 144 | 120.2 Ų | 120.2 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -88.9 | 103.8 | 171.7 | 176.6 | 49.1 | 0 | 0 | 0 | 108.1 | ||||
| 124 | D | 48.6 | Very low | 56.2 | Low | 140 Ų | 140 | 115.2 Ų | 115.2 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | trans | -137.1 | 77.1 | 160.8 | -83.4 | -61.4 | 0 | 0 | 0 | 108.7 | S126 | D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 VanDerWaalsContact O-N 3.1Å | ||
| 125 | N | 40.2 | Very low | 58.7 | Low | 151 Ų | 151 | 112.2 Ų | 112.2 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | trans | -72.9 | 85.4 | 163.6 | -167.5 | 17 | 0 | 0 | 0 | 108.1 | ||||
| 126 | S | 46.8 | Very low | 61.1 | Low | 106 Ų | 106 | 106.7 Ų | 106.7 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | trans | -155.5 | 116.2 | 164.9 | -84.4 | 0 | 0 | 0 | 0 | 110.9 | D124 | D124-S126 VanDerWaalsContact C-N 3.3Å; D124-S126 PolarHBondContact O-N 3.33Å; D124-S126 VanDerWaalsContact O-N 3.1Å | ||
| 127 | A | 47.8 | Very low | 63.6 | Low | 79 Ų | 79 | 103.9 Ų | 103.9 | 65% | 0.653 | 63% | 0.628 | S | S | * | * | trans | 68.4 | 105.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | S129 | A127-S129 PolarHBondContact O-N 2.66Š| ||
| 128 | S | 48.3 | Very low | 66 | Low | 133 Ų | 133 | 104.3 Ų | 104.3 | 93% | 0.93 | 62% | 0.621 | S | S | * | * | trans | -62.8 | 43.5 | 157.3 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | S130 | S128-S130 PolarHBondContact O-N 2.74Š| ||
| 129 | S | 56 | Low | 68.1 | Low | 71 Ų | 71 | 105 Ų | 105 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | trans | -72.3 | 113.2 | 162.3 | -56.9 | 0 | 0 | 0 | 0 | 105.8 | A127 V131 | A127-S129 PolarHBondContact O-N 2.66Å; S129-V131 PolarHBondContact O-N 3.02Å | ||
| 130 | S | 74.1 | Confident | 70.3 | Confident | 102 Ų | 102 | 107.3 Ų | 107.3 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | trans | -46.2 | 112.7 | 177.3 | 43.2 | 0 | 0 | 0 | 0 | 109.6 | S128 L132 | S128-S130 PolarHBondContact O-N 2.74Å; S130-L132 PolarHBondContact O-N 3.34Å | ||
| 131 | V | 83.9 | Confident | 72.6 | Confident | 72 Ų | 72 | 104 Ų | 104 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | trans | -57.6 | 107.3 | -172.7 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | S129 R140 | S129-V131 PolarHBondContact O-N 3.02Å; V131-R140 HydrophobicContact CG1-CB 4.24Å; V131-R140 HydrophobicContact CG1-CG 3.65Å | ||
| 132 | L | 90.3 | Very high | 74.7 | Confident | 42 Ų | 42 | 102.7 Ų | 102.7 | 22% | 0.22 | 56% | 0.555 | C | S | . | * | trans | -68.3 | 138 | 176.8 | -62.2 | -178.9 | 0 | 0 | 0 | 108.3 | S130 L141 F146 K156 | S130-L132 PolarHBondContact O-N 3.34Å; L132-L141 HydrophobicContact CB-CB 3.98Å; L132-L141 HydrophobicContact CB-CD1 4.19Å; L132-L141 PolarHBondContact O-N 3.3Å; L132-F146 HydrophobicContact CD1-CE1 3.91Å; L132-F146 HydrophobicContact CD1-CE2 4.43Å; L132-F146 HydrophobicContact CD1-CZ 3.78Å; L132-K156 HydrophobicContact CD2-CD 3.99Å | ||
| 133 | R | 94.4 | Very high | 75.7 | Confident | 163 Ų | 163 | 99.8 Ų | 99.8 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | B | Isolated β-bridge | trans | -127.6 | 147 | -179.6 | -67.2 | -174.5 | -178.7 | -169.9 | -0.3 | 111.4 | E139 L141 | R133-E139 CarbonylContact C-O 3.52Å; R133-E139 VanDerWaalsContact CA-O 3.24Å; R133-E139 WeakPolarHBondContact CA-O 3.45Å; R133-L141 VanDerWaalsContact C-CD1 3.43Å; R133-L141 WeakPolarHBondContact O-CD1 2.96Å |
| 134 | C | 95.9 | Very high | 77.5 | Confident | 2 Ų | 2 | 96.6 Ų | 96.6 | 1% | 0.014 | 53% | 0.531 | C | S | . | . | trans | -68.1 | 129.5 | 175.1 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | L136 C137 Q138 E139 L141 K156 C158 | C134-L136 PolarHBondContact O-N 3.49Å; C134-C137 WeakPolarHBondContact CB-SG 3.06Å; C134-Q138 WeakPolarHBondContact O-CA 3.36Å; C134-Q138 PolarHBondContact O-N 3.4Å; C134-E139 PolarHBondContact N-O 2.69Å; C134-L141 HydrophobicContact CB-CD2 3.81Å; C134-L141 HydrophobicContact CB-CG 4.36Å; C134-K156 CarbonylContact C-O 3.56Å; C134-K156 VanDerWaalsContact CA-O 3.3Å; C134-K156 WeakPolarHBondContact CA-O 3.46Å; C134-C158 HydrophobicContact CB-CB 4.33Å; C134-C158 PolarHBondContact SG-N 3.45Å; C134-C158 VanDerWaalsContact SG-N 3.38Å; C134-C158 VanDerWaalsContact SG-SG 3.67Å | ||
| 135 | T | 96.3 | Very high | 79.4 | Confident | 61 Ų | 61 | 94.4 Ų | 94.4 | 37% | 0.374 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.9 | 178 | -46.7 | 0 | 0 | 0 | 0 | 112.2 | Q154 K156 | T135-Q154 PolarHBondContact OG1-O 2.83Å; T135-K156 PolarHBondContact N-O 2.94Å; T135-K156 PolarHBondContact OG1-N 3.27Å; T135-K156 VanDerWaalsContact OG1-N 3.08Å; T135-K156 PolarHBondContact OG1-O 3.1Å |
| 136 | L | 96.6 | Very high | 81.9 | Confident | 80 Ų | 80 | 89.5 Ų | 89.5 | 42% | 0.419 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -56.7 | -177 | -64.6 | 172.8 | 0 | 0 | 0 | 112.8 | C134 F157 C161 P179 | C134-L136 PolarHBondContact O-N 3.49Å; L136-F157 HydrophobicContact CD1-CD1 3.76Å; L136-F157 HydrophobicContact CD1-CE1 4.18Å; L136-F157 HydrophobicContact CG-CD1 3.84Å; L136-F157 HydrophobicContact CG-CE1 4.05Å; L136-C161 HydrophobicContact CB-CB 4.27Å; L136-C161 HydrophobicContact CD1-CB 3.76Å; L136-P179 HydrophobicContact CD1-CB 4.13Å |
| 137 | C | 96.9 | Very high | 84.2 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 32% | 0.324 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -7.5 | -178.1 | 64.5 | 0 | 0 | 0 | 0 | 114.3 | C134 E139 | C134-C137 WeakPolarHBondContact CB-SG 3.06Å; C137-E139 HydrophobicContact CB-CG 4.23Å; C137-E139 PolarHBondContact O-N 3.1Å; C137-E139 PolarHBondContact SG-OE2 2.9Å |
| 138 | Q | 95.2 | Very high | 86.4 | Confident | 143 Ų | 143 | 85.7 Ų | 85.7 | 67% | 0.668 | 45% | 0.446 | S | S | * | . | trans | 62.3 | 6.6 | -179.5 | -60.9 | 157.6 | 57 | 0 | 0 | 115.2 | C134 | C134-Q138 WeakPolarHBondContact O-CA 3.36Å; C134-Q138 PolarHBondContact O-N 3.4Å | ||
| 139 | E | 94.3 | Very high | 88.6 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 60% | 0.598 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 159.3 | 174.4 | -61.9 | -178 | 121.9 | 0 | 0 | 111.9 | R133 C134 C137 L141 | R133-E139 CarbonylContact C-O 3.52Å; R133-E139 VanDerWaalsContact CA-O 3.24Å; R133-E139 WeakPolarHBondContact CA-O 3.45Å; C134-E139 PolarHBondContact N-O 2.69Å; C137-E139 HydrophobicContact CB-CG 4.23Å; C137-E139 PolarHBondContact O-N 3.1Å; C137-E139 PolarHBondContact SG-OE2 2.9Å; E139-L141 PolarHBondContact O-N 3.05Å |
| 140 | R | 94.1 | Very high | 90.4 | Very high | 180 Ų | 180 | 79.2 Ų | 79.2 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | B | Isolated β-bridge | trans | -64.5 | 129.5 | 176.7 | 178.8 | 166.1 | -174.9 | 166.1 | 1.1 | 110 | V131 | V131-R140 HydrophobicContact CG1-CB 4.24Å; V131-R140 HydrophobicContact CG1-CG 3.65Å |
| 141 | L | 93 | Very high | 91.2 | Very high | 6 Ų | 6 | 76.1 Ų | 76.1 | 3% | 0.031 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 132.4 | 172.3 | -63.4 | 173.9 | 0 | 0 | 0 | 109.4 | L132 R133 C134 E139 F146 K156 C158 | L132-L141 HydrophobicContact CB-CB 3.98Å; L132-L141 HydrophobicContact CB-CD1 4.19Å; L132-L141 PolarHBondContact O-N 3.3Å; R133-L141 VanDerWaalsContact C-CD1 3.43Å; R133-L141 WeakPolarHBondContact O-CD1 2.96Å; C134-L141 HydrophobicContact CB-CD2 3.81Å; C134-L141 HydrophobicContact CB-CG 4.36Å; E139-L141 PolarHBondContact O-N 3.05Å; L141-F146 HydrophobicContact CB-CB 4.23Å; L141-F146 HydrophobicContact CB-CD1 4.48Å; L141-F146 HydrophobicContact CB-CG 4.49Å; L141-F146 HydrophobicContact CD1-CB 3.89Å; L141-F146 HydrophobicContact CD1-CD2 4.38Å; L141-F146 HydrophobicContact CD1-CG 4.14Å; L141-F146 HydrophobicContact CD2-CB 3.9Å; L141-F146 HydrophobicContact CG-CB 4.22Å; L141-K156 HydrophobicContact CD1-CB 3.5Å; L141-K156 VanDerWaalsContact CD1-CB 3.5Å; L141-K156 HydrophobicContact CD1-CD 4.43Å; L141-C158 HydrophobicContact CD2-CB 3.52Å |
| 142 | E | 84.8 | Confident | 91.7 | Very high | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -79.1 | 136.1 | 169.3 | -63.3 | 156.9 | 98.8 | 0 | 0 | 108.8 | T144 H145 F146 | E142-T144 PolarHBondContact O-N 3.45Å; E142-H145 PolarHBondContact O-N 3.01Å; E142-F146 WeakPolarHBondContact O-CD1 3.48Å |
| 143 | D | 70 | Confident | 91.8 | Very high | 114 Ų | 114 | 77 Ų | 77 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -16.6 | -167.9 | -69.6 | -75.6 | 0 | 0 | 0 | 115.4 | F146 | D143-F146 WeakPolarHBondContact O-CE1 3.18Š|
| 144 | T | 81 | Confident | 91.7 | Very high | 76 Ų | 76 | 76.8 Ų | 76.8 | 47% | 0.466 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | -12.9 | -179.1 | 60.2 | 0 | 0 | 0 | 0 | 114.8 | E142 | E142-T144 PolarHBondContact O-N 3.45Š|
| 145 | H | 86.9 | Confident | 91.7 | Very high | 94 Ų | 94 | 78.2 Ų | 78.2 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -120.7 | 49.4 | -169.2 | -57.2 | 118.7 | 0 | 0 | 0 | 113.4 | E142 F159 | E142-H145 PolarHBondContact O-N 3.01Å; H145-F159 HydrophobicContact CB-CD1 4.4Å; H145-F159 VanDerWaalsContact O-CD1 3.23Å; H145-F159 WeakPolarHBondContact O-CD1 3.43Å; H145-F159 PolarHBondContact O-N 3.37Å |
| 146 | F | 93.9 | Very high | 91.7 | Very high | 49 Ų | 49 | 76.9 Ų | 76.9 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.1 | 175 | 72.1 | -87.7 | 0 | 0 | 0 | 112.8 | L132 L141 E142 D143 Q148 K156 F157 | L132-F146 HydrophobicContact CD1-CE1 3.91Å; L132-F146 HydrophobicContact CD1-CE2 4.43Å; L132-F146 HydrophobicContact CD1-CZ 3.78Å; L141-F146 HydrophobicContact CB-CB 4.23Å; L141-F146 HydrophobicContact CB-CD1 4.48Å; L141-F146 HydrophobicContact CB-CG 4.49Å; L141-F146 HydrophobicContact CD1-CB 3.89Å; L141-F146 HydrophobicContact CD1-CD2 4.38Å; L141-F146 HydrophobicContact CD1-CG 4.14Å; L141-F146 HydrophobicContact CD2-CB 3.9Å; L141-F146 HydrophobicContact CG-CB 4.22Å; E142-F146 WeakPolarHBondContact O-CD1 3.48Å; D143-F146 WeakPolarHBondContact O-CE1 3.18Å; F146-Q148 HydrophobicContact CD2-CB 4.27Å; F146-Q148 HydrophobicContact CE2-CB 4.01Å; F146-K156 HydrophobicContact CD2-CB 4.47Å; F146-F157 CarbonylContact C-O 3.47Å; F146-F157 VanDerWaalsContact CA-O 3.25Å; F146-F157 WeakPolarHBondContact CA-O 3.41Å; F146-F157 WeakPolarHBondContact CB-O 3.2Å |
| 147 | V | 94.5 | Very high | 91.6 | Very high | 18 Ų | 18 | 73.1 Ų | 73.1 | 11% | 0.109 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 128.3 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 107.9 | K156 F157 F159 S162 W193 F195 I203 | V147-K156 CarbonylContact O-C 3.57Å; V147-K156 WeakPolarHBondContact O-CA 3.41Å; V147-F157 PolarHBondContact N-O 2.92Å; V147-F157 PolarHBondContact O-N 3.33Å; V147-F159 HydrophobicContact CG2-CD1 4.34Å; V147-F159 HydrophobicContact CG2-CE1 4.21Å; V147-S162 WeakPolarHBondContact CG2-OG 3.5Å; V147-W193 HydrophobicContact CG1-CH2 3.86Å; V147-W193 HydrophobicContact CG1-CZ2 4.13Å; V147-F195 HydrophobicContact CB-CE1 4.45Å; V147-F195 HydrophobicContact CG1-CE1 3.66Å; V147-F195 HydrophobicContact CG1-CZ 3.88Å; V147-F195 HydrophobicContact CG2-CE1 4.06Å; V147-I203 HydrophobicContact CG2-CD1 3.72Å; V147-I203 HydrophobicContact CG2-CG1 4.48Å |
| 148 | Q | 94.8 | Very high | 91.6 | Very high | 87 Ų | 87 | 71.5 Ų | 71.5 | 41% | 0.407 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.8 | 174.5 | 179.8 | 174 | -34.3 | 0 | 0 | 110.6 | F146 K156 | F146-Q148 HydrophobicContact CD2-CB 4.27Å; F146-Q148 HydrophobicContact CE2-CB 4.01Å; Q148-K156 HydrophobicContact CG-CG 4.3Å |
| 149 | C | 94.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.007 | 34% | 0.336 | C | S | . | . | trans | -65.2 | 129.7 | 171.9 | -174.9 | 0 | 0 | 0 | 0 | 110.2 | S151 H155 W193 | C149-S151 PolarHBondContact O-N 3.5Å; C149-H155 HydrophobicContact CB-CB 3.39Å; C149-H155 PolarHBondContact N-O 3.2Å; C149-W193 HydrophobicContact CB-CE3 4.18Å; C149-W193 HydrophobicContact CB-CH2 4.39Å; C149-W193 HydrophobicContact CB-CZ3 3.71Å; C149-W193 VanDerWaalsContact SG-CE3 3.57Å | ||
| 150 | P | 92.8 | Very high | 91.6 | Very high | 66 Ų | 66 | 64.5 Ų | 64.5 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -69.2 | -23.9 | 177.4 | 28.2 | -34.1 | 0 | 0 | 0 | 112.7 | L186 W193 | P150-L186 HydrophobicContact CB-CD2 4.35Å; P150-L186 HydrophobicContact CG-CD2 3.72Å; P150-W193 VanDerWaalsContact CD-CE2 3.44Å; P150-W193 HydrophobicContact CG-CB 4Å; P150-W193 HydrophobicContact CG-CD2 3.71Å; P150-W193 HydrophobicContact CG-CE3 4.35Å; P150-W193 HydrophobicContact CG-CG 3.49Å; P150-W193 VanDerWaalsContact CG-CG 3.49Å |
| 151 | S | 92.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -88.2 | -39.8 | -177 | -44 | 0 | 0 | 0 | 0 | 112.9 | C149 P185 | C149-S151 PolarHBondContact O-N 3.5Å; S151-P185 WeakPolarHBondContact CB-O 3.27Å; S151-P185 PolarHBondContact OG-O 3.1Å |
| 152 | V | 93.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 57 Ų | 57 | 29% | 0.285 | 31% | 0.308 | S | S | . | . | trans | -121.7 | 107.6 | -174 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | Q154 H155 | V152-Q154 HydrophobicContact CG1-CB 4.13Å; V152-Q154 PolarHBondContact O-N 3.28Å; V152-Q154 VanDerWaalsContact O-N 3.15Å; V152-H155 HydrophobicContact CB-CB 4.11Å; V152-H155 HydrophobicContact CG1-CB 4.27Å; V152-H155 WeakPolarHBondContact O-CB 3.28Å; V152-H155 PolarHBondContact O-N 2.86Å | ||
| 153 | S | 92.3 | Very high | 92.2 | Very high | 85 Ų | 85 | 54.5 Ų | 54.5 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.4 | -177.7 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | K156 | S153-K156 VanDerWaalsContact O-CE 3.3Å; S153-K156 WeakPolarHBondContact O-CE 3.4Å |
| 154 | Q | 93.3 | Very high | 93.4 | Very high | 158 Ų | 158 | 54 Ų | 54 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -21.4 | 176.3 | -67.3 | -177.1 | -22.9 | 0 | 0 | 113.5 | T135 V152 K156 | T135-Q154 PolarHBondContact OG1-O 2.83Å; V152-Q154 HydrophobicContact CG1-CB 4.13Å; V152-Q154 PolarHBondContact O-N 3.28Å; V152-Q154 VanDerWaalsContact O-N 3.15Å; Q154-K156 PolarHBondContact O-N 2.87Å |
| 155 | H | 95.3 | Very high | 94 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 15% | 0.148 | 27% | 0.272 | C | S | . | . | trans | -80 | 102.6 | 177.6 | -74.6 | 179.7 | 0 | 0 | 0 | 109.3 | C149 V152 F157 S180 | C149-H155 HydrophobicContact CB-CB 3.39Å; C149-H155 PolarHBondContact N-O 3.2Å; V152-H155 HydrophobicContact CB-CB 4.11Å; V152-H155 HydrophobicContact CG1-CB 4.27Å; V152-H155 WeakPolarHBondContact O-CB 3.28Å; V152-H155 PolarHBondContact O-N 2.86Å; H155-F157 HydrophobicContact CB-CE2 3.84Å; H155-F157 HydrophobicContact CB-CZ 3.63Å; H155-F157 AromaticContact CG-CZ 3.96Å; H155-S180 PolarHBondContact CE1-OG 2.85Å; H155-S180 VanDerWaalsContact CE1-OG 3.29Å; H155-S180 PolarHBondContact ND1-OG 3.03Å | ||
| 156 | K | 95.3 | Very high | 94.3 | Very high | 34 Ų | 34 | 47.1 Ų | 47.1 | 15% | 0.148 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.9 | 176.8 | -60.6 | 173.5 | -179.2 | -79.9 | 0 | 107.7 | L132 C134 T135 L141 F146 V147 Q148 S153 Q154 | L132-K156 HydrophobicContact CD2-CD 3.99Å; C134-K156 CarbonylContact C-O 3.56Å; C134-K156 VanDerWaalsContact CA-O 3.3Å; C134-K156 WeakPolarHBondContact CA-O 3.46Å; T135-K156 PolarHBondContact N-O 2.94Å; T135-K156 PolarHBondContact OG1-N 3.27Å; T135-K156 VanDerWaalsContact OG1-N 3.08Å; T135-K156 PolarHBondContact OG1-O 3.1Å; L141-K156 HydrophobicContact CD1-CB 3.5Å; L141-K156 VanDerWaalsContact CD1-CB 3.5Å; L141-K156 HydrophobicContact CD1-CD 4.43Å; F146-K156 HydrophobicContact CD2-CB 4.47Å; V147-K156 CarbonylContact O-C 3.57Å; V147-K156 WeakPolarHBondContact O-CA 3.41Å; Q148-K156 HydrophobicContact CG-CG 4.3Å; S153-K156 VanDerWaalsContact O-CE 3.3Å; S153-K156 WeakPolarHBondContact O-CE 3.4Å; Q154-K156 PolarHBondContact O-N 2.87Å |
| 157 | F | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.3 | -171.8 | -48.7 | -72.9 | 0 | 0 | 0 | 109.4 | L136 F146 V147 H155 S162 P179 | L136-F157 HydrophobicContact CD1-CD1 3.76Å; L136-F157 HydrophobicContact CD1-CE1 4.18Å; L136-F157 HydrophobicContact CG-CD1 3.84Å; L136-F157 HydrophobicContact CG-CE1 4.05Å; F146-F157 CarbonylContact C-O 3.47Å; F146-F157 VanDerWaalsContact CA-O 3.25Å; F146-F157 WeakPolarHBondContact CA-O 3.41Å; F146-F157 WeakPolarHBondContact CB-O 3.2Å; V147-F157 PolarHBondContact N-O 2.92Å; V147-F157 PolarHBondContact O-N 3.33Å; H155-F157 HydrophobicContact CB-CE2 3.84Å; H155-F157 HydrophobicContact CB-CZ 3.63Å; H155-F157 AromaticContact CG-CZ 3.96Å; F157-S162 VanDerWaalsContact CB-OG 3.29Å; F157-S162 WeakPolarHBondContact CB-OG 3.47Å; F157-P179 HydrophobicContact CB-CB 4.45Å; F157-P179 HydrophobicContact CB-CG 4.44Å; F157-P179 HydrophobicContact CD1-CB 3.83Å; F157-P179 HydrophobicContact CD1-CG 4.45Å; F157-P179 HydrophobicContact CD2-CB 3.88Å; F157-P179 HydrophobicContact CD2-CG 3.61Å; F157-P179 HydrophobicContact CE1-CB 3.95Å; F157-P179 HydrophobicContact CE2-CB 4.01Å; F157-P179 HydrophobicContact CE2-CG 3.89Å; F157-P179 HydrophobicContact CG-CB 3.77Å; F157-P179 HydrophobicContact CG-CG 3.91Å; F157-P179 HydrophobicContact CZ-CB 4.03Å; F157-P179 HydrophobicContact CZ-CG 4.41Å |
| 158 | C | 95.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 152.9 | 169.9 | 64.8 | 0 | 0 | 0 | 0 | 109.4 | C134 L141 P160 C161 S162 | C134-C158 HydrophobicContact CB-CB 4.33Å; C134-C158 PolarHBondContact SG-N 3.45Å; C134-C158 VanDerWaalsContact SG-N 3.38Å; C134-C158 VanDerWaalsContact SG-SG 3.67Å; L141-C158 HydrophobicContact CD2-CB 3.52Å; C158-P160 VanDerWaalsContact C-CD 3.48Å; C158-P160 VanDerWaalsContact C-N 3.32Å; C158-C161 PolarHBondContact O-N 2.76Å; C158-C161 VanDerWaalsContact O-N 3.13Å; C158-C161 PolarHBondContact SG-SG 3.08Å; C158-S162 PolarHBondContact O-N 2.88Å; C158-S162 PolarHBondContact O-OG 3.02Å |
| 159 | F | 95 | Very high | 93.6 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 18% | 0.184 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.1 | -42.5 | 177.9 | -90.2 | 41.4 | 0 | 0 | 0 | 113.5 | H145 V147 C161 S162 R163 I203 | H145-F159 HydrophobicContact CB-CD1 4.4Å; H145-F159 VanDerWaalsContact O-CD1 3.23Å; H145-F159 WeakPolarHBondContact O-CD1 3.43Å; H145-F159 PolarHBondContact O-N 3.37Å; V147-F159 HydrophobicContact CG2-CD1 4.34Å; V147-F159 HydrophobicContact CG2-CE1 4.21Å; F159-C161 PolarHBondContact O-N 3.31Å; F159-S162 PolarHBondContact O-N 3.2Å; F159-R163 VanDerWaalsContact O-CB 3.26Å; F159-R163 WeakPolarHBondContact O-CB 3.2Å; F159-R163 PolarHBondContact O-N 3.08Å; F159-I203 HydrophobicContact CD2-CG1 4.42Å; F159-I203 HydrophobicContact CE2-CG1 4.22Å; F159-I203 HydrophobicContact CZ-CG1 4.41Å |
| 160 | P | 94.6 | Very high | 92.9 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.3 | -47.1 | 175.2 | -27.6 | 35.5 | 0 | 0 | 0 | 113.8 | C158 R163 E164 | C158-P160 VanDerWaalsContact C-CD 3.48Å; C158-P160 VanDerWaalsContact C-N 3.32Å; P160-R163 WeakPolarHBondContact O-CB 3.48Å; P160-R163 PolarHBondContact O-N 3.09Å; P160-E164 PolarHBondContact O-N 3.11Å; P160-E164 VanDerWaalsContact O-N 3.08Å |
| 161 | C | 96.2 | Very high | 91.7 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -38.9 | 178.7 | -69.6 | 0 | 0 | 0 | 0 | 112.5 | L136 C158 F159 R163 E164 S165 | L136-C161 HydrophobicContact CB-CB 4.27Å; L136-C161 HydrophobicContact CD1-CB 3.76Å; C158-C161 PolarHBondContact O-N 2.76Å; C158-C161 VanDerWaalsContact O-N 3.13Å; C158-C161 PolarHBondContact SG-SG 3.08Å; F159-C161 PolarHBondContact O-N 3.31Å; C161-R163 VanDerWaalsContact C-N 3.34Å; C161-E164 PolarHBondContact O-N 3.07Å; C161-S165 PolarHBondContact O-N 2.91Å; C161-S165 VanDerWaalsContact O-N 3.09Å |
| 162 | S | 95.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 174 | -62.6 | 0 | 0 | 0 | 0 | 111.8 | V147 F157 C158 F159 E164 S165 I166 | V147-S162 WeakPolarHBondContact CG2-OG 3.5Å; F157-S162 VanDerWaalsContact CB-OG 3.29Å; F157-S162 WeakPolarHBondContact CB-OG 3.47Å; C158-S162 PolarHBondContact O-N 2.88Å; C158-S162 PolarHBondContact O-OG 3.02Å; F159-S162 PolarHBondContact O-N 3.2Å; S162-E164 VanDerWaalsContact C-N 3.35Å; S162-E164 PolarHBondContact O-N 2.91Å; S162-S165 PolarHBondContact O-N 2.83Å; S162-I166 WeakPolarHBondContact O-CD1 3.37Å; S162-I166 VanDerWaalsContact O-CG1 3.25Å; S162-I166 WeakPolarHBondContact O-CG1 3.4Å; S162-I166 PolarHBondContact O-N 3.28Å |
| 163 | R | 94.1 | Very high | 89.3 | Confident | 79 Ų | 79 | 56.2 Ų | 56.2 | 30% | 0.298 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 177.2 | -168 | -175.6 | -65.5 | 128 | 2 | 111.1 | F159 P160 C161 S165 I166 K167 I203 L204 | F159-R163 VanDerWaalsContact O-CB 3.26Å; F159-R163 WeakPolarHBondContact O-CB 3.2Å; F159-R163 PolarHBondContact O-N 3.08Å; P160-R163 WeakPolarHBondContact O-CB 3.48Å; P160-R163 PolarHBondContact O-N 3.09Å; C161-R163 VanDerWaalsContact C-N 3.34Å; R163-S165 VanDerWaalsContact C-N 3.34Å; R163-S165 PolarHBondContact O-N 2.9Å; R163-I166 WeakPolarHBondContact O-CB 3.47Å; R163-I166 PolarHBondContact O-N 3.47Å; R163-K167 WeakPolarHBondContact O-CG 3.39Å; R163-K167 PolarHBondContact O-N 2.87Å; R163-I203 HydrophobicContact CB-CG2 3.89Å; R163-I203 HydrophobicContact CG-CG2 4.42Å; R163-I203 PolarHBondContact NE-O 3.47Å; R163-I203 PolarHBondContact NH2-O 3.37Å; R163-L204 HydrophobicContact CG-CD2 3.42Å; R163-L204 VanDerWaalsContact CG-CD2 3.42Å; R163-L204 HydrophobicContact CG-CG 4.27Å |
| 164 | E | 94.4 | Very high | 88.6 | Confident | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 178.6 | -165.5 | 56.9 | -148.4 | 0 | 0 | 111.6 | P160 C161 S162 I166 K167 V168 | P160-E164 PolarHBondContact O-N 3.11Å; P160-E164 VanDerWaalsContact O-N 3.08Å; C161-E164 PolarHBondContact O-N 3.07Å; S162-E164 VanDerWaalsContact C-N 3.35Å; S162-E164 PolarHBondContact O-N 2.91Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.37Å; E164-K167 WeakPolarHBondContact O-CB 3.14Å; E164-K167 PolarHBondContact O-N 2.71Å; E164-K167 VanDerWaalsContact O-N 3.11Å; E164-V168 WeakPolarHBondContact O-CG2 3.44Å; E164-V168 PolarHBondContact O-N 2.91Å |
| 165 | S | 94.1 | Very high | 88.4 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.4 | -170.4 | 0 | 0 | 0 | 0 | 112.9 | C161 S162 R163 V168 Q169 P179 | C161-S165 PolarHBondContact O-N 2.91Å; C161-S165 VanDerWaalsContact O-N 3.09Å; S162-S165 PolarHBondContact O-N 2.83Å; R163-S165 VanDerWaalsContact C-N 3.34Å; R163-S165 PolarHBondContact O-N 2.9Å; S165-V168 PolarHBondContact O-N 3.13Å; S165-Q169 WeakPolarHBondContact O-CB 3.26Å; S165-Q169 WeakPolarHBondContact O-CG 3.46Å; S165-Q169 PolarHBondContact O-N 3.37Å; S165-Q169 PolarHBondContact OG-NE2 3.14Å; S165-P179 WeakPolarHBondContact OG-CA 3.49Å |
| 166 | I | 92.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | 174.9 | -69.4 | 160.9 | 0 | 0 | 0 | 111 | S162 R163 E164 G170 I176 F195 I200 I203 L204 | S162-I166 WeakPolarHBondContact O-CD1 3.37Å; S162-I166 VanDerWaalsContact O-CG1 3.25Å; S162-I166 WeakPolarHBondContact O-CG1 3.4Å; S162-I166 PolarHBondContact O-N 3.28Å; R163-I166 WeakPolarHBondContact O-CB 3.47Å; R163-I166 PolarHBondContact O-N 3.47Å; E164-I166 VanDerWaalsContact C-N 3.31Å; E164-I166 PolarHBondContact O-N 3.37Å; I166-G170 VanDerWaalsContact O-CA 3.23Å; I166-G170 WeakPolarHBondContact O-CA 3.46Å; I166-G170 PolarHBondContact O-N 3.49Å; I166-I176 HydrophobicContact CB-CG2 4.37Å; I166-I176 HydrophobicContact CG1-CG2 3.91Å; I166-F195 HydrophobicContact CD1-CD1 4.43Å; I166-F195 HydrophobicContact CD1-CE1 4.34Å; I166-F195 HydrophobicContact CD1-CZ 4.39Å; I166-F195 HydrophobicContact CG1-CD2 4.23Å; I166-F195 HydrophobicContact CG1-CE2 4.2Å; I166-F195 HydrophobicContact CG1-CZ 4.5Å; I166-I200 HydrophobicContact CG2-CG2 3.83Å; I166-I203 HydrophobicContact CD1-CB 4Å; I166-I203 HydrophobicContact CD1-CD1 3.89Å; I166-I203 HydrophobicContact CD1-CG2 3.77Å; I166-L204 HydrophobicContact CG2-CD1 3.6Å; I166-L204 HydrophobicContact CG2-CG 4.18Å |
| 167 | K | 90.8 | Very high | 88.2 | Confident | 62 Ų | 62 | 52.7 Ų | 52.7 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 178.1 | -64.6 | 178.3 | -155.9 | -166 | 0 | 111.9 | R163 E164 L204 E207 L211 | R163-K167 WeakPolarHBondContact O-CG 3.39Å; R163-K167 PolarHBondContact O-N 2.87Å; E164-K167 WeakPolarHBondContact O-CB 3.14Å; E164-K167 PolarHBondContact O-N 2.71Å; E164-K167 VanDerWaalsContact O-N 3.11Å; K167-L204 HydrophobicContact CG-CD2 4.16Å; K167-E207 WeakPolarHBondContact CE-OE1 3.25Å; K167-E207 WeakPolarHBondContact CE-OE2 3.46Å; K167-E207 IonicContact NZ-OE1 2.66Å; K167-E207 PolarHBondContact NZ-OE1 2.94Å; K167-E207 IonicContact NZ-OE2 2.74Å; K167-E207 PolarHBondContact NZ-OE2 2.87Å; K167-L211 HydrophobicContact CG-CD1 4.07Å |
| 168 | V | 89.2 | Confident | 88.1 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | -178.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | E164 S165 | E164-V168 WeakPolarHBondContact O-CG2 3.44Å; E164-V168 PolarHBondContact O-N 2.91Å; S165-V168 PolarHBondContact O-N 3.13Å |
| 169 | Q | 89.8 | Confident | 88.1 | Confident | 54 Ų | 54 | 52.4 Ų | 52.4 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -82.8 | -27.9 | -179.7 | -67.6 | -175 | 75.2 | 0 | 0 | 113.3 | S165 G171 I176 Y177 | S165-Q169 WeakPolarHBondContact O-CB 3.26Å; S165-Q169 WeakPolarHBondContact O-CG 3.46Å; S165-Q169 PolarHBondContact O-N 3.37Å; S165-Q169 PolarHBondContact OG-NE2 3.14Å; Q169-G171 PolarHBondContact O-N 3.13Å; Q169-I176 HydrophobicContact CB-CD1 3.82Å; Q169-I176 HydrophobicContact CB-CG2 3.97Å; Q169-Y177 PolarHBondContact NE2-O 2.98Å |
| 170 | G | 80.2 | Confident | 88.1 | Confident | 31 Ų | 31 | 52.1 Ų | 52.1 | 32% | 0.32 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -90.9 | 8.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | I166 S172 | I166-G170 VanDerWaalsContact O-CA 3.23Å; I166-G170 WeakPolarHBondContact O-CA 3.46Å; I166-G170 PolarHBondContact O-N 3.49Å; G170-S172 PolarHBondContact O-N 3.46Å |
| 171 | G | 67.6 | Low | 88 | Confident | 62 Ų | 62 | 51.2 Ų | 51.2 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -59.2 | -14.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q169 | Q169-G171 PolarHBondContact O-N 3.13Š|
| 172 | S | 64.1 | Low | 87.8 | Confident | 103 Ų | 103 | 55.8 Ų | 55.8 | 72% | 0.72 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -133.5 | 20.5 | -168.4 | -52.7 | 0 | 0 | 0 | 0 | 114.7 | G170 S174 | G170-S172 PolarHBondContact O-N 3.46Å; S172-S174 PolarHBondContact O-N 3.48Å; S172-S174 VanDerWaalsContact O-N 3.1Å |
| 173 | G | 69.4 | Low | 87.7 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 75% | 0.753 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 63.4 | 16.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 174 | S | 78.6 | Confident | 87.7 | Confident | 65 Ų | 65 | 58.4 Ų | 58.4 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -76.7 | 153 | 177.3 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | S172 I176 | S172-S174 PolarHBondContact O-N 3.48Å; S172-S174 VanDerWaalsContact O-N 3.1Å; S174-I176 WeakPolarHBondContact O-CD1 3.25Å; S174-I176 PolarHBondContact O-N 3.35Å | ||
| 175 | E | 88.4 | Confident | 87.7 | Confident | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | trans | -57.5 | 132.2 | 171.9 | -63.7 | 176.6 | 118 | 0 | 0 | 110.3 | Y177 A194 | E175-Y177 HydrophobicContact CB-CE1 4.13Å; E175-Y177 HydrophobicContact CB-CE2 4.49Å; E175-Y177 WeakPolarHBondContact O-CE2 3.23Å; E175-Y177 PolarHBondContact OE2-OH 2.82Å; E175-Y177 VanDerWaalsContact OE2-OH 3.07Å; E175-A194 HydrophobicContact CB-CB 3.97Å | ||
| 176 | I | 92.4 | Very high | 87.6 | Confident | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | trans | -92.5 | 113.5 | 179.9 | -47.2 | -55.2 | 0 | 0 | 0 | 108.6 | I166 Q169 S174 A194 F195 I200 | I166-I176 HydrophobicContact CB-CG2 4.37Å; I166-I176 HydrophobicContact CG1-CG2 3.91Å; Q169-I176 HydrophobicContact CB-CD1 3.82Å; Q169-I176 HydrophobicContact CB-CG2 3.97Å; S174-I176 WeakPolarHBondContact O-CD1 3.25Å; S174-I176 PolarHBondContact O-N 3.35Å; I176-A194 CarbonylContact O-C 3.43Å; I176-A194 WeakPolarHBondContact O-CA 3.4Å; I176-A194 VanDerWaalsContact O-CB 3.28Å; I176-A194 WeakPolarHBondContact O-CB 3.39Å; I176-F195 HydrophobicContact CB-CB 4.29Å; I176-F195 HydrophobicContact CB-CD2 3.96Å; I176-F195 HydrophobicContact CG2-CD2 3.62Å; I176-F195 HydrophobicContact CG2-CE2 4.16Å; I176-F195 PolarHBondContact O-N 3.02Å; I176-I200 HydrophobicContact CB-CD1 4.42Å; I176-I200 HydrophobicContact CG1-CD1 3.7Å | ||
| 177 | Y | 94.4 | Very high | 87.4 | Confident | 45 Ų | 45 | 65 Ų | 65 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -85.4 | -179.7 | -178.8 | -57.5 | -68.7 | 0 | 0 | 0 | 112.2 | Q169 E175 K183 P192 W193 A194 | Q169-Y177 PolarHBondContact NE2-O 2.98Å; E175-Y177 HydrophobicContact CB-CE1 4.13Å; E175-Y177 HydrophobicContact CB-CE2 4.49Å; E175-Y177 WeakPolarHBondContact O-CE2 3.23Å; E175-Y177 PolarHBondContact OE2-OH 2.82Å; E175-Y177 VanDerWaalsContact OE2-OH 3.07Å; Y177-K183 HydrophobicContact CG-CG 4.44Å; Y177-P192 HydrophobicContact CD1-CB 3.93Å; Y177-P192 HydrophobicContact CD1-CG 4.23Å; Y177-P192 HydrophobicContact CE1-CB 3.86Å; Y177-P192 HydrophobicContact CE1-CG 3.63Å; Y177-W193 WeakPolarHBondContact CD1-O 3.07Å; Y177-A194 HydrophobicContact CD1-CB 4.29Å; Y177-A194 HydrophobicContact CE1-CB 4.43Å |
| 178 | C | 94.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | trans | -46.7 | 133.5 | -179.7 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | S180 G181 E182 W193 | C178-S180 PolarHBondContact O-N 2.8Å; C178-S180 PolarHBondContact SG-OG 3.48Å; C178-G181 PolarHBondContact O-N 3.35Å; C178-E182 VanDerWaalsContact CB-O 3.27Å; C178-E182 WeakPolarHBondContact CB-O 3.26Å; C178-W193 HydrophobicContact CB-CE3 3.81Å; C178-W193 HydrophobicContact CB-CZ3 3.78Å | ||
| 179 | P | 95.2 | Very high | 87.4 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.058 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -15 | 178 | -26.6 | 34 | 0 | 0 | 0 | 115.7 | L136 F157 S165 G181 F195 | L136-P179 HydrophobicContact CD1-CB 4.13Å; F157-P179 HydrophobicContact CB-CB 4.45Å; F157-P179 HydrophobicContact CB-CG 4.44Å; F157-P179 HydrophobicContact CD1-CB 3.83Å; F157-P179 HydrophobicContact CD1-CG 4.45Å; F157-P179 HydrophobicContact CD2-CB 3.88Å; F157-P179 HydrophobicContact CD2-CG 3.61Å; F157-P179 HydrophobicContact CE1-CB 3.95Å; F157-P179 HydrophobicContact CE2-CB 4.01Å; F157-P179 HydrophobicContact CE2-CG 3.89Å; F157-P179 HydrophobicContact CG-CB 3.77Å; F157-P179 HydrophobicContact CG-CG 3.91Å; F157-P179 HydrophobicContact CZ-CB 4.03Å; F157-P179 HydrophobicContact CZ-CG 4.41Å; S165-P179 WeakPolarHBondContact OG-CA 3.49Å; P179-G181 PolarHBondContact O-N 3.25Å; P179-F195 HydrophobicContact CG-CE2 3.78Å; P179-F195 HydrophobicContact CG-CZ 3.72Å |
| 180 | S | 94.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 68.4 Ų | 68.4 | 25% | 0.252 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -11.7 | 172 | 67.1 | 0 | 0 | 0 | 0 | 113.8 | H155 C178 E182 | H155-S180 PolarHBondContact CE1-OG 2.85Å; H155-S180 VanDerWaalsContact CE1-OG 3.29Å; H155-S180 PolarHBondContact ND1-OG 3.03Å; C178-S180 PolarHBondContact O-N 2.8Å; C178-S180 PolarHBondContact SG-OG 3.48Å; S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 WeakPolarHBondContact OG-CB 3.49Å; S180-E182 PolarHBondContact OG-N 2.94Å |
| 181 | G | 91.8 | Very high | 88 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 86 | -8.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C178 P179 | C178-G181 PolarHBondContact O-N 3.35Å; P179-G181 PolarHBondContact O-N 3.25Å |
| 182 | E | 92.6 | Very high | 89.2 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 58% | 0.575 | 44% | 0.435 | S | S | * | . | trans | -81.9 | 144.3 | 178.8 | -65 | -65.8 | 129.1 | 0 | 0 | 111.5 | C178 S180 C184 | C178-E182 VanDerWaalsContact CB-O 3.27Å; C178-E182 WeakPolarHBondContact CB-O 3.26Å; S180-E182 VanDerWaalsContact C-N 3.26Å; S180-E182 WeakPolarHBondContact OG-CB 3.49Å; S180-E182 PolarHBondContact OG-N 2.94Å; E182-C184 VanDerWaalsContact C-N 3.27Å; E182-C184 PolarHBondContact O-N 2.93Å; E182-C184 VanDerWaalsContact O-N 3.08Å | ||
| 183 | K | 92.6 | Very high | 90.5 | Very high | 127 Ų | 127 | 65.7 Ų | 65.7 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | trans | -86.5 | 68.7 | 170.4 | -72.8 | 178.3 | 179.2 | -74.5 | 0 | 110.2 | Y177 P185 P192 | Y177-K183 HydrophobicContact CG-CG 4.44Å; K183-P185 WeakPolarHBondContact O-CD 3.36Å; K183-P192 HydrophobicContact CB-CB 4.23Å | ||
| 184 | C | 93.7 | Very high | 91.7 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.054 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 117.9 | -176.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | E182 W193 | E182-C184 VanDerWaalsContact C-N 3.27Å; E182-C184 PolarHBondContact O-N 2.93Å; E182-C184 VanDerWaalsContact O-N 3.08Å; C184-W193 PolarHBondContact O-N 3.43Å |
| 185 | P | 94.4 | Very high | 92.3 | Very high | 72 Ų | 72 | 60.9 Ų | 60.9 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 140 | -179.7 | 28.5 | -33.8 | 0 | 0 | 0 | 110.9 | S151 K183 S189 | S151-P185 WeakPolarHBondContact CB-O 3.27Å; S151-P185 PolarHBondContact OG-O 3.1Å; K183-P185 WeakPolarHBondContact O-CD 3.36Å; P185-S189 WeakPolarHBondContact CB-O 3.34Å |
| 186 | L | 92.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 59.8 Ų | 59.8 | 34% | 0.335 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 143 | 173.3 | -70.1 | 172.3 | 0 | 0 | 0 | 110.5 | P150 G188 S189 V191 W193 | P150-L186 HydrophobicContact CB-CD2 4.35Å; P150-L186 HydrophobicContact CG-CD2 3.72Å; L186-G188 PolarHBondContact O-N 2.9Å; L186-G188 VanDerWaalsContact O-N 3.11Å; L186-S189 PolarHBondContact O-N 3.16Å; L186-S189 VanDerWaalsContact O-O 3.13Å; L186-V191 PolarHBondContact N-O 2.78Å; L186-W193 HydrophobicContact CD2-CB 3.69Å; L186-W193 HydrophobicContact CD2-CG 4.1Å; L186-W193 HydrophobicContact CG-CB 4.13Å |
| 187 | I | 87.7 | Confident | 92.1 | Very high | 131 Ų | 131 | 65.2 Ų | 65.2 | 67% | 0.672 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 119.1 | -179 | -171.7 | 73.6 | 0 | 0 | 0 | 110.7 | ||
| 188 | G | 88.3 | Confident | 91.9 | Very high | 88 Ų | 88 | 65.5 Ų | 65.5 | 91% | 0.907 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 15.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L186 | L186-G188 PolarHBondContact O-N 2.9Å; L186-G188 VanDerWaalsContact O-N 3.11Å |
| 189 | S | 91.8 | Very high | 91.8 | Very high | 51 Ų | 51 | 66.7 Ų | 66.7 | 36% | 0.357 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -141 | 161.8 | 178.2 | -178.5 | 0 | 0 | 0 | 0 | 112 | P185 L186 V191 | P185-S189 WeakPolarHBondContact CB-O 3.34Å; L186-S189 PolarHBondContact O-N 3.16Å; L186-S189 VanDerWaalsContact O-O 3.13Å; S189-V191 WeakPolarHBondContact OG-CB 3.37Å; S189-V191 WeakPolarHBondContact OG-CG2 3.44Å; S189-V191 PolarHBondContact OG-N 3.47Å |
| 190 | N | 90.8 | Very high | 91.6 | Very high | 162 Ų | 162 | 66.8 Ų | 66.8 | 87% | 0.866 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -91.8 | 0.9 | 168.1 | -65.1 | -56.3 | 0 | 0 | 0 | 112.6 | ||
| 191 | V | 92.4 | Very high | 91.4 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 48% | 0.479 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -78.3 | 123.2 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 109.2 | L186 S189 | L186-V191 PolarHBondContact N-O 2.78Å; S189-V191 WeakPolarHBondContact OG-CB 3.37Å; S189-V191 WeakPolarHBondContact OG-CG2 3.44Å; S189-V191 PolarHBondContact OG-N 3.47Å |
| 192 | P | 92.6 | Very high | 91.4 | Very high | 37 Ų | 37 | 68 Ų | 68 | 24% | 0.24 | 40% | 0.4 | C | S | . | . | B | Isolated β-bridge | trans | -65.7 | 139.2 | 176.8 | 28.1 | -34.8 | 0 | 0 | 0 | 110.5 | Y177 K183 A194 | Y177-P192 HydrophobicContact CD1-CB 3.93Å; Y177-P192 HydrophobicContact CD1-CG 4.23Å; Y177-P192 HydrophobicContact CE1-CB 3.86Å; Y177-P192 HydrophobicContact CE1-CG 3.63Å; K183-P192 HydrophobicContact CB-CB 4.23Å; P192-A194 PolarHBondContact O-N 3.15Å |
| 193 | W | 92.4 | Very high | 91.3 | Very high | 22 Ų | 22 | 62.5 Ų | 62.5 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 132.7 | 171.7 | 170.9 | 50.6 | 0 | 0 | 0 | 110.5 | V147 C149 P150 Y177 C178 C184 L186 | V147-W193 HydrophobicContact CG1-CH2 3.86Å; V147-W193 HydrophobicContact CG1-CZ2 4.13Å; C149-W193 HydrophobicContact CB-CE3 4.18Å; C149-W193 HydrophobicContact CB-CH2 4.39Å; C149-W193 HydrophobicContact CB-CZ3 3.71Å; C149-W193 VanDerWaalsContact SG-CE3 3.57Å; P150-W193 VanDerWaalsContact CD-CE2 3.44Å; P150-W193 HydrophobicContact CG-CB 4Å; P150-W193 HydrophobicContact CG-CD2 3.71Å; P150-W193 HydrophobicContact CG-CE3 4.35Å; P150-W193 HydrophobicContact CG-CG 3.49Å; P150-W193 VanDerWaalsContact CG-CG 3.49Å; Y177-W193 WeakPolarHBondContact CD1-O 3.07Å; C178-W193 HydrophobicContact CB-CE3 3.81Å; C178-W193 HydrophobicContact CB-CZ3 3.78Å; C184-W193 PolarHBondContact O-N 3.43Å; L186-W193 HydrophobicContact CD2-CB 3.69Å; L186-W193 HydrophobicContact CD2-CG 4.1Å; L186-W193 HydrophobicContact CG-CB 4.13Å |
| 194 | A | 93.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 57 Ų | 57 | 18% | 0.182 | 35% | 0.351 | C | S | . | . | B | Isolated β-bridge | trans | -131.1 | 157.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | E175 I176 Y177 P192 | E175-A194 HydrophobicContact CB-CB 3.97Å; I176-A194 CarbonylContact O-C 3.43Å; I176-A194 WeakPolarHBondContact O-CA 3.4Å; I176-A194 VanDerWaalsContact O-CB 3.28Å; I176-A194 WeakPolarHBondContact O-CB 3.39Å; Y177-A194 HydrophobicContact CD1-CB 4.29Å; Y177-A194 HydrophobicContact CE1-CB 4.43Å; P192-A194 PolarHBondContact O-N 3.15Å |
| 195 | F | 91.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | trans | -65.7 | 136.9 | 172.6 | -75.2 | -89 | 0 | 0 | 0 | 111.1 | V147 I166 I176 P179 E199 I200 I203 | V147-F195 HydrophobicContact CB-CE1 4.45Å; V147-F195 HydrophobicContact CG1-CE1 3.66Å; V147-F195 HydrophobicContact CG1-CZ 3.88Å; V147-F195 HydrophobicContact CG2-CE1 4.06Å; I166-F195 HydrophobicContact CD1-CD1 4.43Å; I166-F195 HydrophobicContact CD1-CE1 4.34Å; I166-F195 HydrophobicContact CD1-CZ 4.39Å; I166-F195 HydrophobicContact CG1-CD2 4.23Å; I166-F195 HydrophobicContact CG1-CE2 4.2Å; I166-F195 HydrophobicContact CG1-CZ 4.5Å; I176-F195 HydrophobicContact CB-CB 4.29Å; I176-F195 HydrophobicContact CB-CD2 3.96Å; I176-F195 HydrophobicContact CG2-CD2 3.62Å; I176-F195 HydrophobicContact CG2-CE2 4.16Å; I176-F195 PolarHBondContact O-N 3.02Å; P179-F195 HydrophobicContact CG-CE2 3.78Å; P179-F195 HydrophobicContact CG-CZ 3.72Å; F195-E199 HydrophobicContact CD1-CB 4.25Å; F195-I200 HydrophobicContact CB-CD1 3.88Å; F195-I200 HydrophobicContact CB-CG1 3.52Å; F195-I200 HydrophobicContact CG-CG1 4.35Å; F195-I203 HydrophobicContact CD1-CD1 3.87Å; F195-I203 HydrophobicContact CE1-CD1 3.44Å; F195-I203 VanDerWaalsContact CE1-CD1 3.44Å; F195-I203 HydrophobicContact CZ-CD1 4.38Å | ||
| 196 | M | 90.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 62.8 Ų | 62.8 | 48% | 0.478 | 38% | 0.382 | S | S | . | . | trans | -75.6 | 150.3 | 169.9 | -64.2 | -175.6 | -74.6 | 0 | 0 | 110.6 | I3 G198 E199 I200 | I3-M196 HydrophobicContact CD1-CE 3.89Å; M196-G198 PolarHBondContact O-N 2.88Å; M196-G198 VanDerWaalsContact O-N 3.16Å; M196-E199 HydrophobicContact CB-CG 4.05Å; M196-E199 VanDerWaalsContact CE-CD 3.41Å; M196-E199 HydrophobicContact CE-CG 3.96Å; M196-E199 VanDerWaalsContact CE-OE1 3.25Å; M196-E199 WeakPolarHBondContact CE-OE1 3.3Å; M196-E199 PolarHBondContact N-OE2 3.29Å; M196-E199 WeakPolarHBondContact O-CA 3.38Å; M196-E199 WeakPolarHBondContact O-CB 3.24Å; M196-E199 PolarHBondContact O-N 3.4Å; M196-I200 WeakPolarHBondContact O-CG1 3.38Å; M196-I200 PolarHBondContact O-N 3.09Å | ||
| 197 | Q | 87.5 | Confident | 90.3 | Very high | 119 Ų | 119 | 62.5 Ų | 62.5 | 56% | 0.556 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -57.3 | -35.6 | -179.4 | -65.3 | -64.8 | 7.3 | 0 | 0 | 113.6 | E199 I200 A201 | Q197-E199 VanDerWaalsContact C-N 3.35Å; Q197-I200 PolarHBondContact O-N 3.47Å; Q197-A201 WeakPolarHBondContact O-CB 3.29Å; Q197-A201 PolarHBondContact O-N 2.99Å |
| 198 | G | 89.5 | Confident | 90.2 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | M196 T202 | M196-G198 PolarHBondContact O-N 2.88Å; M196-G198 VanDerWaalsContact O-N 3.16Å; G198-T202 WeakPolarHBondContact O-CB 3.45Å; G198-T202 PolarHBondContact O-N 3.03Å; G198-T202 VanDerWaalsContact O-N 3.09Å; G198-T202 PolarHBondContact O-OG1 3.01Å |
| 199 | E | 92 | Very high | 89.8 | Confident | 25 Ų | 25 | 62.6 Ų | 62.6 | 12% | 0.117 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.9 | -43 | 175.8 | -60.8 | 174.7 | 142.5 | 0 | 0 | 110.4 | F5 F195 M196 Q197 A201 T202 I203 | F5-E199 HydrophobicContact CE2-CG 4.37Å; F5-E199 HydrophobicContact CZ-CG 3.85Å; F5-E199 WeakPolarHBondContact CZ-OE1 3.39Å; F195-E199 HydrophobicContact CD1-CB 4.25Å; M196-E199 HydrophobicContact CB-CG 4.05Å; M196-E199 VanDerWaalsContact CE-CD 3.41Å; M196-E199 HydrophobicContact CE-CG 3.96Å; M196-E199 VanDerWaalsContact CE-OE1 3.25Å; M196-E199 WeakPolarHBondContact CE-OE1 3.3Å; M196-E199 PolarHBondContact N-OE2 3.29Å; M196-E199 WeakPolarHBondContact O-CA 3.38Å; M196-E199 WeakPolarHBondContact O-CB 3.24Å; M196-E199 PolarHBondContact O-N 3.4Å; Q197-E199 VanDerWaalsContact C-N 3.35Å; E199-A201 PolarHBondContact O-N 3.44Å; E199-T202 PolarHBondContact O-N 3.35Å; E199-I203 WeakPolarHBondContact O-CD1 3.25Å; E199-I203 VanDerWaalsContact O-CG1 3.26Å; E199-I203 WeakPolarHBondContact O-CG1 3.42Å; E199-I203 PolarHBondContact O-N 3.45Å |
| 200 | I | 91.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 66.8 Ų | 66.8 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.6 | -49.8 | 175.3 | -65.3 | 175.8 | 0 | 0 | 0 | 110.3 | I166 I176 F195 M196 Q197 T202 I203 L204 Y208 | I166-I200 HydrophobicContact CG2-CG2 3.83Å; I176-I200 HydrophobicContact CB-CD1 4.42Å; I176-I200 HydrophobicContact CG1-CD1 3.7Å; F195-I200 HydrophobicContact CB-CD1 3.88Å; F195-I200 HydrophobicContact CB-CG1 3.52Å; F195-I200 HydrophobicContact CG-CG1 4.35Å; M196-I200 WeakPolarHBondContact O-CG1 3.38Å; M196-I200 PolarHBondContact O-N 3.09Å; Q197-I200 PolarHBondContact O-N 3.47Å; I200-T202 VanDerWaalsContact C-N 3.29Å; I200-T202 PolarHBondContact O-N 3.45Å; I200-I203 PolarHBondContact O-N 2.89Å; I200-L204 HydrophobicContact CG2-CD1 3.76Å; I200-L204 WeakPolarHBondContact O-CB 3.23Å; I200-L204 PolarHBondContact O-N 3.15Å; I200-Y208 HydrophobicContact CB-CE2 4.37Å; I200-Y208 HydrophobicContact CG2-CD2 3.72Å; I200-Y208 HydrophobicContact CG2-CE2 3.56Å |
| 201 | A | 90.8 | Very high | 88.8 | Confident | 34 Ų | 34 | 62 Ų | 62 | 28% | 0.281 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q197 E199 G205 Y208 | Q197-A201 WeakPolarHBondContact O-CB 3.29Å; Q197-A201 PolarHBondContact O-N 2.99Å; E199-A201 PolarHBondContact O-N 3.44Å; A201-G205 WeakPolarHBondContact O-CA 3.37Å; A201-G205 PolarHBondContact O-N 3.38Å; A201-Y208 HydrophobicContact CB-CD1 4.15Å; A201-Y208 HydrophobicContact CB-CD2 4.4Å; A201-Y208 HydrophobicContact CB-CE1 4.27Å; A201-Y208 HydrophobicContact CB-CG 4.2Å |
| 202 | T | 91.5 | Very high | 88.1 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 56% | 0.558 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.4 | -41 | 178.8 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | G198 E199 I200 | G198-T202 WeakPolarHBondContact O-CB 3.45Å; G198-T202 PolarHBondContact O-N 3.03Å; G198-T202 VanDerWaalsContact O-N 3.09Å; G198-T202 PolarHBondContact O-OG1 3.01Å; E199-T202 PolarHBondContact O-N 3.35Å; I200-T202 VanDerWaalsContact C-N 3.29Å; I200-T202 PolarHBondContact O-N 3.45Å |
| 203 | I | 91.6 | Very high | 87.2 | Confident | 7 Ų | 7 | 61.2 Ų | 61.2 | 4% | 0.036 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72 | -38.6 | -178.3 | -66.5 | 163.7 | 0 | 0 | 0 | 111.3 | V147 F159 R163 I166 F195 E199 I200 | V147-I203 HydrophobicContact CG2-CD1 3.72Å; V147-I203 HydrophobicContact CG2-CG1 4.48Å; F159-I203 HydrophobicContact CD2-CG1 4.42Å; F159-I203 HydrophobicContact CE2-CG1 4.22Å; F159-I203 HydrophobicContact CZ-CG1 4.41Å; R163-I203 HydrophobicContact CB-CG2 3.89Å; R163-I203 HydrophobicContact CG-CG2 4.42Å; R163-I203 PolarHBondContact NE-O 3.47Å; R163-I203 PolarHBondContact NH2-O 3.37Å; I166-I203 HydrophobicContact CD1-CB 4Å; I166-I203 HydrophobicContact CD1-CD1 3.89Å; I166-I203 HydrophobicContact CD1-CG2 3.77Å; F195-I203 HydrophobicContact CD1-CD1 3.87Å; F195-I203 HydrophobicContact CE1-CD1 3.44Å; F195-I203 VanDerWaalsContact CE1-CD1 3.44Å; F195-I203 HydrophobicContact CZ-CD1 4.38Å; E199-I203 WeakPolarHBondContact O-CD1 3.25Å; E199-I203 VanDerWaalsContact O-CG1 3.26Å; E199-I203 WeakPolarHBondContact O-CG1 3.42Å; E199-I203 PolarHBondContact O-N 3.45Å; I200-I203 PolarHBondContact O-N 2.89Å |
| 204 | L | 92.3 | Very high | 86.2 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -83.4 | -30.6 | 180 | -76.5 | 168.1 | 0 | 0 | 0 | 113.5 | R163 I166 K167 I200 E206 E207 Y208 L211 | R163-L204 HydrophobicContact CG-CD2 3.42Å; R163-L204 VanDerWaalsContact CG-CD2 3.42Å; R163-L204 HydrophobicContact CG-CG 4.27Å; I166-L204 HydrophobicContact CG2-CD1 3.6Å; I166-L204 HydrophobicContact CG2-CG 4.18Å; K167-L204 HydrophobicContact CG-CD2 4.16Å; I200-L204 HydrophobicContact CG2-CD1 3.76Å; I200-L204 WeakPolarHBondContact O-CB 3.23Å; I200-L204 PolarHBondContact O-N 3.15Å; L204-E206 PolarHBondContact O-N 2.78Å; L204-E207 HydrophobicContact CB-CB 4.47Å; L204-E207 HydrophobicContact CD2-CB 4.27Å; L204-E207 HydrophobicContact CD2-CG 4.25Å; L204-E207 WeakPolarHBondContact O-CB 3.41Å; L204-E207 PolarHBondContact O-N 2.77Å; L204-Y208 HydrophobicContact CD1-CD2 3.87Å; L204-L211 HydrophobicContact CD1-CD1 3.91Å; L204-L211 HydrophobicContact CD2-CD1 3.97Å |
| 205 | G | 89.1 | Confident | 85 | Confident | 39 Ų | 39 | 66.4 Ų | 66.4 | 40% | 0.402 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -124.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A201 E207 Y208 | A201-G205 WeakPolarHBondContact O-CA 3.37Å; A201-G205 PolarHBondContact O-N 3.38Å; G205-E207 PolarHBondContact O-N 3.1Å; G205-Y208 VanDerWaalsContact O-CB 3.28Å; G205-Y208 WeakPolarHBondContact O-CB 3.43Å; G205-Y208 PolarHBondContact O-N 2.82Å |
| 206 | E | 84.3 | Confident | 83.7 | Confident | 162 Ų | 162 | 70.3 Ų | 70.3 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -60.8 | -30 | 179.5 | -61.5 | 172.6 | -173.9 | 0 | 0 | 113.3 | L204 Y208 Q209 | L204-E206 PolarHBondContact O-N 2.78Å; E206-Y208 PolarHBondContact O-N 2.9Å; E206-Q209 PolarHBondContact O-N 2.95Å |
| 207 | E | 85.7 | Confident | 82.5 | Confident | 59 Ų | 59 | 68.1 Ų | 68.1 | 28% | 0.276 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -69.4 | -25.8 | -179.2 | -170.5 | 170.1 | -164.1 | 0 | 0 | 112.4 | K167 L204 G205 Q209 K210 L211 | K167-E207 WeakPolarHBondContact CE-OE1 3.25Å; K167-E207 WeakPolarHBondContact CE-OE2 3.46Å; K167-E207 IonicContact NZ-OE1 2.66Å; K167-E207 PolarHBondContact NZ-OE1 2.94Å; K167-E207 IonicContact NZ-OE2 2.74Å; K167-E207 PolarHBondContact NZ-OE2 2.87Å; L204-E207 HydrophobicContact CB-CB 4.47Å; L204-E207 HydrophobicContact CD2-CB 4.27Å; L204-E207 HydrophobicContact CD2-CG 4.25Å; L204-E207 WeakPolarHBondContact O-CB 3.41Å; L204-E207 PolarHBondContact O-N 2.77Å; G205-E207 PolarHBondContact O-N 3.1Å; E207-Q209 PolarHBondContact O-N 3.36Å; E207-K210 PolarHBondContact O-N 2.88Å; E207-K210 VanDerWaalsContact O-N 3.1Å; E207-L211 HydrophobicContact CG-CD1 4.09Å; E207-L211 HydrophobicContact CG-CG 4.3Å; E207-L211 PolarHBondContact O-N 3.08Å |
| 208 | Y | 85.6 | Confident | 81.2 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 29% | 0.29 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 176.6 | -175.4 | -104.6 | 0 | 0 | 0 | 111.3 | I200 A201 L204 G205 E206 K210 L211 A212 | I200-Y208 HydrophobicContact CB-CE2 4.37Å; I200-Y208 HydrophobicContact CG2-CD2 3.72Å; I200-Y208 HydrophobicContact CG2-CE2 3.56Å; A201-Y208 HydrophobicContact CB-CD1 4.15Å; A201-Y208 HydrophobicContact CB-CD2 4.4Å; A201-Y208 HydrophobicContact CB-CE1 4.27Å; A201-Y208 HydrophobicContact CB-CG 4.2Å; L204-Y208 HydrophobicContact CD1-CD2 3.87Å; G205-Y208 VanDerWaalsContact O-CB 3.28Å; G205-Y208 WeakPolarHBondContact O-CB 3.43Å; G205-Y208 PolarHBondContact O-N 2.82Å; E206-Y208 PolarHBondContact O-N 2.9Å; Y208-K210 PolarHBondContact O-N 3.24Å; Y208-L211 PolarHBondContact O-N 2.97Å; Y208-A212 WeakPolarHBondContact O-CB 3.46Å; Y208-A212 PolarHBondContact O-N 2.81Å |
| 209 | Q | 80.7 | Confident | 79.6 | Confident | 146 Ų | 146 | 70.6 Ų | 70.6 | 68% | 0.682 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.7 | -36.8 | 179.7 | -61.9 | -174.5 | 30 | 0 | 0 | 112 | E206 E207 A213 | E206-Q209 PolarHBondContact O-N 2.95Å; E207-Q209 PolarHBondContact O-N 3.36Å; Q209-A213 WeakPolarHBondContact O-CB 3.05Å; Q209-A213 PolarHBondContact O-N 3.35Å |
| 210 | K | 82.4 | Confident | 77.6 | Confident | 140 Ų | 140 | 70.1 Ų | 70.1 | 61% | 0.609 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.1 | -45.7 | 177.1 | -63.7 | 178.4 | -177.4 | 172 | 0 | 111.1 | E207 Y208 A213 L214 | E207-K210 PolarHBondContact O-N 2.88Å; E207-K210 VanDerWaalsContact O-N 3.1Å; Y208-K210 PolarHBondContact O-N 3.24Å; K210-A213 PolarHBondContact O-N 3.28Å; K210-L214 WeakPolarHBondContact O-CG 3.3Å; K210-L214 PolarHBondContact O-N 3.05Å |
| 211 | L | 78.7 | Confident | 75.7 | Confident | 62 Ų | 62 | 73.9 Ų | 73.9 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.5 | -42 | 177.7 | -67.8 | 168.9 | 0 | 0 | 0 | 111.8 | K167 L204 E207 Y208 L214 A215 | K167-L211 HydrophobicContact CG-CD1 4.07Å; L204-L211 HydrophobicContact CD1-CD1 3.91Å; L204-L211 HydrophobicContact CD2-CD1 3.97Å; E207-L211 HydrophobicContact CG-CD1 4.09Å; E207-L211 HydrophobicContact CG-CG 4.3Å; E207-L211 PolarHBondContact O-N 3.08Å; Y208-L211 PolarHBondContact O-N 2.97Å; L211-L214 PolarHBondContact O-N 3.38Å; L211-A215 WeakPolarHBondContact O-CB 3.42Å; L211-A215 PolarHBondContact O-N 3.2Å |
| 212 | A | 77.3 | Confident | 73.5 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y208 A215 V216 | Y208-A212 WeakPolarHBondContact O-CB 3.46Å; Y208-A212 PolarHBondContact O-N 2.81Å; A212-A215 PolarHBondContact O-N 3.02Å; A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 2.98Å |
| 213 | A | 73.8 | Confident | 71.3 | Confident | 60 Ų | 60 | 75.8 Ų | 75.8 | 50% | 0.496 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q209 K210 V216 A217 | Q209-A213 WeakPolarHBondContact O-CB 3.05Å; Q209-A213 PolarHBondContact O-N 3.35Å; K210-A213 PolarHBondContact O-N 3.28Å; A213-V216 PolarHBondContact O-N 2.93Å; A213-A217 WeakPolarHBondContact O-CB 3.27Å; A213-A217 PolarHBondContact O-N 2.96Å |
| 214 | L | 70.9 | Confident | 69.2 | Low | 111 Ų | 111 | 80.1 Ų | 80.1 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.6 | -39.7 | 175.1 | -73.8 | 173.5 | 0 | 0 | 0 | 112.6 | K210 L211 V216 A217 T218 | K210-L214 WeakPolarHBondContact O-CG 3.3Å; K210-L214 PolarHBondContact O-N 3.05Å; L211-L214 PolarHBondContact O-N 3.38Å; L214-V216 VanDerWaalsContact C-N 3.34Å; L214-A217 PolarHBondContact O-N 2.86Å; L214-T218 WeakPolarHBondContact O-CB 3.49Å; L214-T218 PolarHBondContact O-N 3.47Å; L214-T218 PolarHBondContact O-OG1 3.16Å |
| 215 | A | 68.2 | Low | 67.1 | Low | 42 Ų | 42 | 85.3 Ų | 85.3 | 35% | 0.347 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -45.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L211 A212 A217 T218 V219 | L211-A215 WeakPolarHBondContact O-CB 3.42Å; L211-A215 PolarHBondContact O-N 3.2Å; A212-A215 PolarHBondContact O-N 3.02Å; A215-A217 PolarHBondContact O-N 3.38Å; A215-T218 PolarHBondContact O-N 3.29Å; A215-T218 VanDerWaalsContact O-N 3.14Å; A215-V219 WeakPolarHBondContact O-CG2 3.17Å; A215-V219 PolarHBondContact O-N 3.34Å |
| 216 | V | 64.8 | Low | 65.2 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -37.7 | 174.9 | 174 | 0 | 0 | 0 | 0 | 112 | A212 A213 L214 T218 G220 | A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.28Å; A212-V216 PolarHBondContact O-N 2.98Å; A213-V216 PolarHBondContact O-N 2.93Å; L214-V216 VanDerWaalsContact C-N 3.34Å; V216-T218 VanDerWaalsContact C-N 3.31Å; V216-T218 PolarHBondContact O-N 3.5Å; V216-G220 WeakPolarHBondContact O-CA 3.37Å; V216-G220 PolarHBondContact O-N 3.08Å |
| 217 | A | 65.2 | Low | 63.6 | Low | 51 Ų | 51 | 87.6 Ų | 87.6 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -38 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | A213 L214 A215 S221 | A213-A217 WeakPolarHBondContact O-CB 3.27Å; A213-A217 PolarHBondContact O-N 2.96Å; L214-A217 PolarHBondContact O-N 2.86Å; A215-A217 PolarHBondContact O-N 3.38Å; A217-S221 WeakPolarHBondContact O-CB 3.44Å; A217-S221 PolarHBondContact O-N 3.15Å; A217-S221 PolarHBondContact O-OG 2.81Å; A217-S221 VanDerWaalsContact O-OG 3.1Å |
| 218 | T | 59.6 | Low | 62 | Low | 110 Ų | 110 | 91.5 Ų | 91.5 | 68% | 0.675 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72 | -41.7 | -179.5 | -53.4 | 0 | 0 | 0 | 0 | 112.3 | L214 A215 V216 | L214-T218 WeakPolarHBondContact O-CB 3.49Å; L214-T218 PolarHBondContact O-N 3.47Å; L214-T218 PolarHBondContact O-OG1 3.16Å; A215-T218 PolarHBondContact O-N 3.29Å; A215-T218 VanDerWaalsContact O-N 3.14Å; V216-T218 VanDerWaalsContact C-N 3.31Å; V216-T218 PolarHBondContact O-N 3.5Å |
| 219 | V | 55.8 | Low | 60.2 | Low | 112 Ų | 112 | 93.7 Ų | 93.7 | 68% | 0.679 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.3 | -25.4 | 174.6 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | A215 | A215-V219 WeakPolarHBondContact O-CG2 3.17Å; A215-V219 PolarHBondContact O-N 3.34Å |
| 220 | G | 50.3 | Low | 58.7 | Low | 15 Ų | 15 | 94.3 Ų | 94.3 | 16% | 0.155 | 60% | 0.597 | C | S | . | * | H | α-helix | trans | -85.5 | -23.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V216 A222 A223 T224 | V216-G220 WeakPolarHBondContact O-CA 3.37Å; V216-G220 PolarHBondContact O-N 3.08Å; G220-A222 PolarHBondContact O-N 3.07Å; G220-A223 PolarHBondContact O-N 2.91Å; G220-A223 VanDerWaalsContact O-N 3.13Å; G220-T224 WeakPolarHBondContact O-CB 3.49Å; G220-T224 PolarHBondContact O-N 2.58Å; G220-T224 PolarHBondContact O-OG1 3.05Å |
| 221 | S | 50.8 | Low | 57 | Low | 90 Ų | 90 | 93 Ų | 93 | 63% | 0.629 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -13.8 | 173.4 | -79.8 | 0 | 0 | 0 | 0 | 113.7 | A217 | A217-S221 WeakPolarHBondContact O-CB 3.44Å; A217-S221 PolarHBondContact O-N 3.15Å; A217-S221 PolarHBondContact O-OG 2.81Å; A217-S221 VanDerWaalsContact O-OG 3.1Å |
| 222 | A | 45.7 | Very low | 55.7 | Low | 96 Ų | 96 | 98 Ų | 98 | 79% | 0.793 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -11.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G220 | G220-A222 PolarHBondContact O-N 3.07Š|
| 223 | A | 45 | Very low | 54.5 | Low | 69 Ų | 69 | 103 Ų | 103 | 57% | 0.57 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.8 | 2.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G220 | G220-A223 PolarHBondContact O-N 2.91Å; G220-A223 VanDerWaalsContact O-N 3.13Å |
| 224 | T | 47.9 | Very low | 53.3 | Low | 98 Ų | 98 | 108.2 Ų | 108.2 | 60% | 0.601 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -130.4 | 33.6 | -179.2 | 63.4 | 0 | 0 | 0 | 0 | 114.6 | G220 | G220-T224 WeakPolarHBondContact O-CB 3.49Å; G220-T224 PolarHBondContact O-N 2.58Å; G220-T224 PolarHBondContact O-OG1 3.05Å |
| 225 | S | 46.5 | Very low | 52.5 | Low | 119 Ų | 119 | 111.6 Ų | 111.6 | 83% | 0.832 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -100.3 | 9.7 | 163 | -73.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 226 | S | 50 | Low | 51.4 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 75% | 0.748 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -131.2 | 10.5 | -175.4 | -150.4 | 0 | 0 | 0 | 0 | 116.2 | ||
| 227 | L | 51.5 | Low | 51.1 | Low | 142 Ų | 142 | 122.8 Ų | 122.8 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -119.5 | -3.7 | 178.9 | -78.5 | 140.7 | 0 | 0 | 0 | 114.6 | ||
| 228 | V | 51.4 | Low | 50.5 | Low | 142 Ų | 142 | 127.6 Ų | 127.6 | 86% | 0.861 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -101.5 | 67.7 | 165.5 | 175.1 | 0 | 0 | 0 | 0 | 108 | ||
| 229 | S | 48 | Very low | 50.4 | Low | 119 Ų | 119 | 128.1 Ų | 128.1 | 83% | 0.832 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -171.8 | 7.4 | 166.3 | -108.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 230 | H | 48.8 | Very low | 50.3 | Low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | -140.4 | 56.6 | -177.3 | -151.8 | 80.2 | 0 | 0 | 0 | 113.3 | ||||
| 231 | C | 47.6 | Very low | 50.4 | Low | 114 Ų | 114 | 133.6 Ų | 133.6 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -106.6 | 55.3 | 155.6 | -76.1 | 0 | 0 | 0 | 0 | 109.7 | I233 | C231-I233 VanDerWaalsContact C-N 3.29Å; C231-I233 PolarHBondContact O-N 2.92Å | ||
| 232 | Q | 51.4 | Low | 50.5 | Low | 167 Ų | 167 | 134.3 Ų | 134.3 | 78% | 0.78 | 77% | 0.766 | S | S | * | * | trans | -88.8 | 81.3 | 153 | -75.3 | -80 | -17.9 | 0 | 0 | 105.4 | K234 | Q232-K234 PolarHBondContact O-N 3.11Š| ||
| 233 | I | 52 | Low | 50.8 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -65.6 | 91.4 | 174.3 | -68.5 | 164.9 | 0 | 0 | 0 | 106.7 | C231 K235 | C231-I233 VanDerWaalsContact C-N 3.29Å; C231-I233 PolarHBondContact O-N 2.92Å; I233-K235 HydrophobicContact CG2-CB 4.15Å; I233-K235 PolarHBondContact O-N 3.45Å | ||
| 234 | K | 48.1 | Very low | 51.6 | Low | 171 Ų | 171 | 135.8 Ų | 135.8 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -61.5 | 86 | 160.3 | -179.3 | 160.8 | 173.5 | 167.5 | 0 | 107.6 | Q232 E236 | Q232-K234 PolarHBondContact O-N 3.11Å; K234-E236 WeakPolarHBondContact CE-OE2 3.37Å; K234-E236 HydrophobicContact CG-CG 4.28Å; K234-E236 IonicContact NZ-OE2 3.46Å; K234-E236 PolarHBondContact NZ-OE2 3.05Å | ||
| 235 | K | 54.9 | Low | 51.8 | Low | 182 Ų | 182 | 138.7 Ų | 138.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -100.8 | 75.4 | 163.2 | -166.7 | 174.6 | -178.6 | -179.8 | 0 | 108.1 | I233 R237 | I233-K235 HydrophobicContact CG2-CB 4.15Å; I233-K235 PolarHBondContact O-N 3.45Å; K235-R237 PolarHBondContact O-N 3.48Å | ||
| 236 | E | 43.6 | Very low | 52.6 | Low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 116.2 | 149.3 | -69.3 | -170.5 | 94.6 | 0 | 0 | 107.3 | K234 | K234-E236 WeakPolarHBondContact CE-OE2 3.37Å; K234-E236 HydrophobicContact CG-CG 4.28Å; K234-E236 IonicContact NZ-OE2 3.46Å; K234-E236 PolarHBondContact NZ-OE2 3.05Å | ||
| 237 | R | 59.7 | Low | 53.3 | Low | 232 Ų | 232 | 141.7 Ų | 141.7 | 88% | 0.875 | 79% | 0.791 | S | S | * | * | trans | 178.9 | 110.4 | 140.1 | -103 | 179 | -97.4 | 153.4 | -10.1 | 109.9 | K235 | K235-R237 PolarHBondContact O-N 3.48Š| ||
| 238 | D | 51.2 | Low | 53.6 | Low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | 67.1 | 88.7 | 125.9 | -148.5 | -97.7 | 0 | 0 | 0 | 116.5 | |||||
| 239 | S | 58.8 | Low | 53.7 | Low | 121 Ų | 121 | 143.5 Ų | 143.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -168.3 | 88.6 | 154.9 | -73.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 240 | S | 52.5 | Low | 54 | Low | 118 Ų | 118 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | trans | -140.9 | 160 | 154.3 | -72.6 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 241 | P | 53 | Low | 54.3 | Low | 125 Ų | 125 | 143.9 Ų | 143.9 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | cis | -127.6 | -177.7 | -9.9 | 32.4 | -11.8 | 0 | 0 | 0 | 111.3 | ||||
| 242 | S | 52.6 | Low | 54.7 | Low | 105 Ų | 105 | 145.7 Ų | 145.7 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | trans | 146.4 | 118 | 131.9 | -160.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 243 | S | 52.9 | Low | 54.9 | Low | 96 Ų | 96 | 144.4 Ų | 144.4 | 67% | 0.671 | 83% | 0.834 | S | S | * | * | trans | 51.8 | 117.7 | 143.5 | 54.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 244 | S | 61.3 | Low | 55.1 | Low | 99 Ų | 99 | 144.6 Ų | 144.6 | 69% | 0.692 | 84% | 0.841 | S | S | * | * | 162.3 | 125.7 | 104.2 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 245 | N | 51.8 | Low | 55.6 | Low | 160 Ų | 160 | 142.7 Ų | 142.7 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | 49.8 | 117.7 | 141.9 | -62 | -41.9 | 0 | 0 | 0 | 121 | ||||
| 246 | A | 62.7 | Low | 55.6 | Low | 106 Ų | 106 | 139.7 Ų | 139.7 | 88% | 0.876 | 85% | 0.853 | S | S | * | * | trans | -163.3 | 116.7 | 130 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 247 | L | 64.8 | Low | 56.6 | Low | 183 Ų | 183 | 139.5 Ų | 139.5 | 96% | 0.958 | 87% | 0.868 | S | S | * | * | trans | -72.2 | 136 | 165.4 | -83.2 | 145.9 | 0 | 0 | 0 | 110.2 | ||||
| 248 | A | 58.1 | Low | 56.3 | Low | 177 Ų | 177 | 131.1 Ų | 131.1 | 100% | 1.463 | 87% | 0.868 | S | S | * | * | trans | -164.8 | 0 | 145.1 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 248 of 248 residues in 78.3 ms
(Link to these results)