| 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 | 41.9 | Very low | 46.5 | Very low | 211 Ų | 211 | 159.2 Ų | 159.2 | 100% | 1.039 | 78% | 0.781 | S | S | * | * | 0 | 80.4 | 0 | -86.7 | 166.9 | 168.8 | 0 | 0 | 106.3 | H3 | M1-H3 PolarHBondContact O-N 3.27Š| |||
| 2 | D | 44.3 | Very low | 47.6 | Very low | 157 Ų | 157 | 155.8 Ų | 155.8 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | trans | -83.9 | 101.5 | -176.3 | -59 | -92.5 | 0 | 0 | 0 | 107.6 | ||||
| 3 | H | 50.6 | Low | 48.2 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -120.7 | 71.4 | 173.6 | -58.2 | -59.6 | 0 | 0 | 0 | 107.9 | M1 P5 | M1-H3 PolarHBondContact O-N 3.27Å; H3-P5 VanDerWaalsContact O-CD 3.31Å; H3-P5 WeakPolarHBondContact O-CD 3.45Å | ||
| 4 | K | 46.8 | Very low | 47.8 | Very low | 182 Ų | 182 | 152.6 Ų | 152.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -77.3 | 113.4 | 161.9 | -172.9 | 168.1 | -179.3 | 173.5 | 0 | 106.3 | L6 | K4-L6 PolarHBondContact O-N 3.4Š| ||
| 5 | P | 50.4 | Low | 48.3 | Very low | 123 Ų | 123 | 151.5 Ų | 151.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | trans | -63.7 | 106.4 | 176.7 | 25 | -30.6 | 0 | 0 | 0 | 107.6 | H3 | H3-P5 VanDerWaalsContact O-CD 3.31Å; H3-P5 WeakPolarHBondContact O-CD 3.45Å | ||
| 6 | L | 39.8 | Very low | 48.5 | Very low | 140 Ų | 140 | 150.6 Ų | 150.6 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -73.5 | 148.8 | 165.7 | -64 | -176.7 | 0 | 0 | 0 | 107.9 | K4 | K4-L6 PolarHBondContact O-N 3.4Š| ||
| 7 | L | 44.8 | Very low | 48.5 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 88.1 | 126.2 | 166.8 | -48.3 | -174.9 | 0 | 0 | 0 | 113.9 | ||||
| 8 | Q | 47.4 | Very low | 48.2 | Very low | 150 Ų | 150 | 148.9 Ų | 148.9 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | cis | -178.1 | 119.7 | -1.5 | 177.2 | 84.6 | -2.3 | 0 | 0 | 102.8 | R10 | Q8-R10 PolarHBondContact O-N 3.41Š| ||
| 9 | E | 46.1 | Very low | 47.8 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 69% | 0.687 | 77% | 0.766 | S | S | * | * | 34.5 | 88.3 | 124.5 | -120.6 | 82 | 161.5 | 0 | 0 | 116 | P11 | E9-P11 HydrophobicContact CG-CG 4.23Å; E9-P11 VanDerWaalsContact O-CD 3.29Å; E9-P11 WeakPolarHBondContact O-CD 3.39Å | |||
| 10 | R | 43.1 | Very low | 47.2 | Very low | 247 Ų | 247 | 147.4 Ų | 147.4 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -100.8 | 85.5 | 140 | -172.1 | 172.7 | 172 | 168.3 | -2.9 | 107.3 | Q8 | Q8-R10 PolarHBondContact O-N 3.41Š| ||
| 11 | P | 56 | Low | 46.7 | Very low | 83 Ų | 83 | 143.1 Ų | 143.1 | 54% | 0.539 | 77% | 0.765 | S | S | . | * | trans | -65.6 | 151.5 | 175.8 | 27.3 | -29.9 | 0 | 0 | 0 | 109.4 | E9 A13 | E9-P11 HydrophobicContact CG-CG 4.23Å; E9-P11 VanDerWaalsContact O-CD 3.29Å; E9-P11 WeakPolarHBondContact O-CD 3.39Å; P11-A13 PolarHBondContact O-N 3.08Å | ||
| 12 | P | 60.4 | Low | 46.5 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -55 | 131.9 | 179.4 | -20.2 | 30.6 | 0 | 0 | 0 | 109.9 | Y14 | P12-Y14 PolarHBondContact O-N 3.44Š| ||
| 13 | A | 54.6 | Low | 46.3 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -61.5 | 108.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | P11 N15 | P11-A13 PolarHBondContact O-N 3.08Å; A13-N15 PolarHBondContact O-N 2.94Å; A13-N15 PolarHBondContact O-OD1 3.02Å | ||
| 14 | Y | 43.7 | Very low | 45.6 | Very low | 180 Ų | 180 | 140.8 Ų | 140.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 117.7 | 173.7 | 54.2 | -84 | 0 | 0 | 0 | 107.2 | P12 L16 | P12-Y14 PolarHBondContact O-N 3.44Å; Y14-L16 HydrophobicContact CD2-CD1 4.3Å; Y14-L16 HydrophobicContact CD2-CG 3.99Å; Y14-L16 HydrophobicContact CE2-CD1 3.66Å; Y14-L16 HydrophobicContact CE2-CD2 4.48Å; Y14-L16 HydrophobicContact CE2-CG 3.78Å; Y14-L16 PolarHBondContact O-N 2.97Å | ||
| 15 | N | 55.3 | Low | 45.5 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | -62.9 | 105.9 | 172.9 | -10.1 | -33.4 | 0 | 0 | 0 | 106.4 | A13 E17 | A13-N15 PolarHBondContact O-N 2.94Å; A13-N15 PolarHBondContact O-OD1 3.02Å; N15-E17 PolarHBondContact O-N 2.92Å | ||
| 16 | L | 51.5 | Low | 45 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 72% | 0.717 | 76% | 0.763 | S | S | * | * | trans | -70.2 | 77 | 167.9 | -91.3 | 149.8 | 0 | 0 | 0 | 108.4 | Y14 A18 | Y14-L16 HydrophobicContact CD2-CD1 4.3Å; Y14-L16 HydrophobicContact CD2-CG 3.99Å; Y14-L16 HydrophobicContact CE2-CD1 3.66Å; Y14-L16 HydrophobicContact CE2-CD2 4.48Å; Y14-L16 HydrophobicContact CE2-CG 3.78Å; Y14-L16 PolarHBondContact O-N 2.97Å; L16-A18 PolarHBondContact O-N 3.39Å | ||
| 17 | E | 48.8 | Very low | 45.2 | Very low | 174 Ų | 174 | 133.8 Ų | 133.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | -86.2 | 84.1 | 156.6 | -73.3 | 178 | 99.7 | 0 | 0 | 106.9 | N15 G19 | N15-E17 PolarHBondContact O-N 2.92Å; E17-G19 PolarHBondContact O-N 3.01Å | ||
| 18 | A | 41.4 | Very low | 45.3 | Very low | 97 Ų | 97 | 131.8 Ų | 131.8 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | -62 | 111.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | L16 | L16-A18 PolarHBondContact O-N 3.39Š| ||
| 19 | G | 42 | Very low | 44.8 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -147.5 | 60.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E17 | E17-G19 PolarHBondContact O-N 3.01Š| ||
| 20 | Q | 36.1 | Very low | 44.4 | Very low | 199 Ų | 199 | 132.2 Ų | 132.2 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | trans | 56.6 | 115.5 | 138.1 | -154.4 | 123.7 | -34.1 | 0 | 0 | 119.9 | ||||
| 21 | G | 36.5 | Very low | 44.3 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | trans | 149.1 | 77.1 | 151.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y23 | G21-Y23 PolarHBondContact O-N 3.42Š| ||
| 22 | D | 36.6 | Very low | 43.9 | Very low | 162 Ų | 162 | 124.5 Ų | 124.5 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -58 | 116.7 | 175.6 | -60.8 | -79.4 | 0 | 0 | 0 | 114.6 | ||||
| 23 | Y | 39.9 | Very low | 43.4 | Very low | 215 Ų | 215 | 126.4 Ų | 126.4 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -149.3 | 91.2 | 140.7 | 32.8 | -89.4 | 0 | 0 | 0 | 108.9 | G21 C25 | G21-Y23 PolarHBondContact O-N 3.42Å; Y23-C25 PolarHBondContact O-N 3.31Å | ||
| 24 | A | 37.6 | Very low | 43.2 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -70 | 106.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 25 | C | 43.5 | Very low | 43.8 | Very low | 129 Ų | 129 | 125 Ų | 125 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -112.1 | 109.5 | 151 | -90.5 | 0 | 0 | 0 | 0 | 106.5 | Y23 A27 | Y23-C25 PolarHBondContact O-N 3.31Å; C25-A27 PolarHBondContact O-N 3.31Å | ||
| 26 | G | 39 | Very low | 44 | Very low | 72 Ų | 72 | 122.8 Ų | 122.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -51.7 | 130.6 | -166.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P28 | G26-P28 WeakPolarHBondContact O-CD 3.45Š| ||
| 27 | A | 45.4 | Very low | 44.2 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -62.9 | 115.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | C25 G29 | C25-A27 PolarHBondContact O-N 3.31Å; A27-G29 PolarHBondContact O-N 3.45Å | ||
| 28 | P | 46.7 | Very low | 44.9 | Very low | 108 Ų | 108 | 119.4 Ų | 119.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 121.9 | 166.1 | -11.2 | 28.5 | 0 | 0 | 0 | 107.1 | G26 Y30 | G26-P28 WeakPolarHBondContact O-CD 3.45Å; P28-Y30 PolarHBondContact O-N 3.13Å | ||
| 29 | G | 37.5 | Very low | 46 | Very low | 79 Ų | 79 | 119.6 Ų | 119.6 | 81% | 0.814 | 79% | 0.786 | S | S | * | * | trans | -50.5 | 107.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A27 G31 | A27-G29 PolarHBondContact O-N 3.45Å; G29-G31 PolarHBondContact O-N 2.89Å | ||
| 30 | Y | 37.1 | Very low | 47.1 | Very low | 227 Ų | 227 | 121.3 Ų | 121.3 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -76.4 | 104 | 165.1 | -94.3 | -95.5 | 0 | 0 | 0 | 107.8 | P28 | P28-Y30 PolarHBondContact O-N 3.13Š| ||
| 31 | G | 40.7 | Very low | 48.4 | Very low | 63 Ų | 63 | 118.1 Ų | 118.1 | 65% | 0.649 | 78% | 0.781 | S | S | * | * | trans | -56.5 | 135.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | G29 I33 | G29-G31 PolarHBondContact O-N 2.89Å; G31-I33 PolarHBondContact O-N 3.45Å; G31-I33 VanDerWaalsContact O-N 3.14Å | ||
| 32 | A | 48.5 | Very low | 49.4 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -58.9 | 114.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 33 | I | 48.4 | Very low | 50.1 | Low | 158 Ų | 158 | 122.3 Ų | 122.3 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -75.5 | 122.5 | 173.6 | -24.9 | 171 | 0 | 0 | 0 | 106.7 | G31 S35 | G31-I33 PolarHBondContact O-N 3.45Å; G31-I33 VanDerWaalsContact O-N 3.14Å; I33-S35 PolarHBondContact O-N 2.87Å | ||
| 34 | P | 52 | Low | 50.5 | Low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -60.3 | 135 | 178 | 20.7 | -29.4 | 0 | 0 | 0 | 110.4 | A36 | P34-A36 PolarHBondContact O-N 3.11Å; P34-A36 VanDerWaalsContact O-N 3.15Å | ||
| 35 | S | 55.2 | Low | 51.2 | Low | 122 Ų | 122 | 124.1 Ų | 124.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -51.5 | 114.1 | -179 | 43.7 | 0 | 0 | 0 | 0 | 111.4 | I33 | I33-S35 PolarHBondContact O-N 2.87Š| ||
| 36 | A | 60 | Low | 51.3 | Low | 89 Ų | 89 | 124 Ų | 124 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 144.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P34 | P34-A36 PolarHBondContact O-N 3.11Å; P34-A36 VanDerWaalsContact O-N 3.15Å |
| 37 | P | 56 | Low | 51.7 | Low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 154.3 | -179.8 | 25.3 | -32.6 | 0 | 0 | 0 | 112.9 | ||
| 38 | P | 62 | Low | 51.7 | Low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 139.2 | -172.1 | 25 | -33.7 | 0 | 0 | 0 | 112.4 | ||
| 39 | P | 64.6 | Low | 51.5 | Low | 102 Ų | 102 | 125.9 Ų | 125.9 | 66% | 0.662 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 146.6 | -176.5 | 27.6 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 40 | P | 65.3 | Low | 52 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 151.4 | -179.9 | 26.5 | -33.4 | 0 | 0 | 0 | 112.6 | Y42 | P40-Y42 WeakPolarHBondContact O-CD1 3.41Å; P40-Y42 PolarHBondContact O-N 3.33Å; P40-Y42 VanDerWaalsContact O-N 3.16Å |
| 41 | P | 64.5 | Low | 52.5 | Low | 133 Ų | 133 | 120.8 Ų | 120.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -65.7 | 114 | -178.5 | -14.5 | 28.3 | 0 | 0 | 0 | 110.9 | ||||
| 42 | Y | 56.1 | Low | 53.1 | Low | 188 Ų | 188 | 123.9 Ų | 123.9 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | trans | -82.4 | 135.8 | 175.9 | 25.8 | -89.4 | 0 | 0 | 0 | 110.6 | P40 Y44 | P40-Y42 WeakPolarHBondContact O-CD1 3.41Å; P40-Y42 PolarHBondContact O-N 3.33Å; P40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-Y44 PolarHBondContact O-N 3.49Å | ||
| 43 | P | 51.2 | Low | 53 | Low | 118 Ų | 118 | 125.1 Ų | 125.1 | 77% | 0.766 | 74% | 0.74 | S | S | * | * | trans | -64.1 | 125 | 171.4 | 25.8 | -30.5 | 0 | 0 | 0 | 109.1 | L45 | P43-L45 PolarHBondContact O-N 3.24Š| ||
| 44 | Y | 48.4 | Very low | 53 | Low | 202 Ų | 202 | 123.2 Ų | 123.2 | 79% | 0.792 | 74% | 0.738 | S | S | * | * | trans | -68.6 | 90.5 | 177.9 | 57.4 | -80 | 0 | 0 | 0 | 109.1 | Y42 V46 | Y42-Y44 PolarHBondContact O-N 3.49Å; Y44-V46 HydrophobicContact CD2-CG2 3.94Å; Y44-V46 PolarHBondContact O-N 3.25Å | ||
| 45 | L | 52.7 | Low | 53 | Low | 154 Ų | 154 | 126.8 Ų | 126.8 | 81% | 0.806 | 74% | 0.736 | S | S | * | * | trans | -73.8 | 108.2 | 150.8 | -72.8 | 177.4 | 0 | 0 | 0 | 105.7 | P43 T47 | P43-L45 PolarHBondContact O-N 3.24Å; L45-T47 PolarHBondContact O-N 3.26Å; L45-T47 PolarHBondContact O-OG1 3.35Å | ||
| 46 | V | 45.3 | Very low | 52.4 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | trans | -59.9 | 78.4 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 108 | Y44 | Y44-V46 HydrophobicContact CD2-CG2 3.94Å; Y44-V46 PolarHBondContact O-N 3.25Å | ||
| 47 | T | 48.1 | Very low | 51.6 | Low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -98.9 | 67.6 | 157.2 | 1.1 | 0 | 0 | 0 | 0 | 104.3 | L45 I49 | L45-T47 PolarHBondContact O-N 3.26Å; L45-T47 PolarHBondContact O-OG1 3.35Å; T47-I49 VanDerWaalsContact C-N 3.35Å; T47-I49 PolarHBondContact O-N 3.2Å | ||
| 48 | G | 44.3 | Very low | 51.1 | Low | 57 Ų | 57 | 131.2 Ų | 131.2 | 59% | 0.588 | 73% | 0.732 | S | S | * | * | trans | -54.1 | 105.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 49 | I | 42.7 | Very low | 50.4 | Low | 131 Ų | 131 | 132.4 Ų | 132.4 | 67% | 0.672 | 73% | 0.73 | S | S | * | * | trans | 31.6 | 115.8 | 132 | -55.9 | 164.8 | 0 | 0 | 0 | 111.9 | T47 T51 | T47-I49 VanDerWaalsContact C-N 3.35Å; T47-I49 PolarHBondContact O-N 3.2Å; I49-T51 PolarHBondContact O-N 3.18Å; I49-T51 PolarHBondContact O-OG1 3.06Å | ||
| 50 | P | 49 | Very low | 49.5 | Very low | 128 Ų | 128 | 136.3 Ų | 136.3 | 83% | 0.831 | 74% | 0.739 | S | S | * | * | trans | -65.3 | 82.3 | 171 | 28.4 | -32 | 0 | 0 | 0 | 108.5 | P52 | P50-P52 WeakPolarHBondContact O-CD 3.35Š| ||
| 51 | T | 47.5 | Very low | 48.7 | Very low | 72 Ų | 72 | 137.1 Ų | 137.1 | 44% | 0.442 | 75% | 0.747 | S | S | . | * | trans | -57.9 | 123.1 | 161.3 | 22.4 | 0 | 0 | 0 | 0 | 105.6 | I49 H53 | I49-T51 PolarHBondContact O-N 3.18Å; I49-T51 PolarHBondContact O-OG1 3.06Å; T51-H53 WeakPolarHBondContact CB-CE1 3.49Å; T51-H53 PolarHBondContact O-CD2 3.45Å; T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 PolarHBondContact O-NE2 3.14Å; T51-H53 PolarHBondContact OG1-CE1 3.48Å; T51-H53 PolarHBondContact OG1-NE2 2.99Å | ||
| 52 | P | 53.1 | Low | 48.1 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -68.9 | 81.6 | 176.7 | 27 | -31.2 | 0 | 0 | 0 | 107.6 | P50 P54 | P50-P52 WeakPolarHBondContact O-CD 3.35Å; P52-P54 VanDerWaalsContact O-CD 3.25Å; P52-P54 WeakPolarHBondContact O-CD 3.39Å | ||
| 53 | H | 46.4 | Very low | 48 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 60% | 0.602 | 75% | 0.749 | S | S | * | * | trans | -72.4 | 118.7 | 168.7 | -43.3 | -72.3 | 0 | 0 | 0 | 105.8 | T51 R55 | T51-H53 WeakPolarHBondContact CB-CE1 3.49Å; T51-H53 PolarHBondContact O-CD2 3.45Å; T51-H53 PolarHBondContact O-N 3.36Å; T51-H53 PolarHBondContact O-NE2 3.14Å; T51-H53 PolarHBondContact OG1-CE1 3.48Å; T51-H53 PolarHBondContact OG1-NE2 2.99Å; H53-R55 HydrophobicContact CB-CG 4.31Å; H53-R55 PolarHBondContact O-N 3.23Å | ||
| 54 | P | 49.2 | Very low | 48.1 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 78.4 | 164.1 | 30.9 | -30.6 | 0 | 0 | 0 | 106.3 | P52 V56 | P52-P54 VanDerWaalsContact O-CD 3.25Å; P52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-V56 PolarHBondContact O-N 3.45Å | ||
| 55 | R | 51.9 | Low | 48.1 | Very low | 190 Ų | 190 | 133.2 Ų | 133.2 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | trans | -71.3 | 92.7 | 162.9 | -79.4 | -144.3 | 175.1 | 177.8 | 1.5 | 105.9 | H53 Y57 | H53-R55 HydrophobicContact CB-CG 4.31Å; H53-R55 PolarHBondContact O-N 3.23Å; R55-Y57 HydrophobicContact CB-CD2 4.05Å; R55-Y57 HydrophobicContact CB-CE2 4.06Å; R55-Y57 PolarHBondContact O-N 3.11Å | ||
| 56 | V | 42.3 | Very low | 48 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -56.4 | 86.2 | 167.7 | 179.7 | 0 | 0 | 0 | 0 | 107.3 | P54 | P54-V56 PolarHBondContact O-N 3.45Š| ||
| 57 | Y | 42.9 | Very low | 48 | Very low | 187 Ų | 187 | 140.2 Ų | 140.2 | 73% | 0.733 | 74% | 0.738 | S | S | * | * | trans | -93.3 | 114.5 | 159.9 | -81.5 | -79.2 | 0 | 0 | 0 | 108 | R55 I59 | R55-Y57 HydrophobicContact CB-CD2 4.05Å; R55-Y57 HydrophobicContact CB-CE2 4.06Å; R55-Y57 PolarHBondContact O-N 3.11Å; Y57-I59 PolarHBondContact O-N 3.41Å | ||
| 58 | S | 45.3 | Very low | 48.4 | Very low | 99 Ų | 99 | 139 Ų | 139 | 69% | 0.692 | 73% | 0.732 | S | S | * | * | trans | -28.7 | 111.6 | 166.2 | 167.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 59 | I | 46.8 | Very low | 49.1 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | 43.3 | 92 | 132.9 | -44.5 | 171.5 | 0 | 0 | 0 | 116.2 | Y57 | Y57-I59 PolarHBondContact O-N 3.41Š| ||
| 60 | H | 46.4 | Very low | 49.6 | Very low | 184 Ų | 184 | 140.6 Ų | 140.6 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | -142.6 | 116.4 | 135.2 | -112.4 | 63.6 | 0 | 0 | 0 | 107.7 | R62 | H60-R62 PolarHBondContact O-N 3.24Š| ||
| 61 | S | 49.5 | Very low | 49.7 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -66.5 | 69.3 | 177.9 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 62 | R | 51.4 | Low | 50.2 | Low | 219 Ų | 219 | 139.8 Ų | 139.8 | 83% | 0.826 | 74% | 0.736 | S | S | * | * | trans | -86.4 | 121.1 | 164.9 | -141.5 | 169.1 | -172.2 | 153.1 | 1.3 | 105.6 | H60 V64 | H60-R62 PolarHBondContact O-N 3.24Å; R62-V64 WeakPolarHBondContact O-CG2 3.5Å; R62-V64 PolarHBondContact O-N 3.32Å | ||
| 63 | T | 53.8 | Low | 50.3 | Low | 133 Ų | 133 | 139.7 Ų | 139.7 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | -54.3 | 86.9 | 169.2 | -50.2 | 0 | 0 | 0 | 0 | 107.9 | T65 | T63-T65 VanDerWaalsContact C-N 3.29Å; T63-T65 PolarHBondContact O-N 2.95Å | ||
| 64 | V | 54.2 | Low | 50.8 | Low | 119 Ų | 119 | 139.4 Ų | 139.4 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | trans | -78.9 | 95.4 | 173.2 | 179.5 | 0 | 0 | 0 | 0 | 104.3 | R62 R66 | R62-V64 WeakPolarHBondContact O-CG2 3.5Å; R62-V64 PolarHBondContact O-N 3.32Å; V64-R66 PolarHBondContact O-N 2.97Å | ||
| 65 | T | 48.5 | Very low | 51.2 | Low | 88 Ų | 88 | 139.9 Ų | 139.9 | 54% | 0.54 | 74% | 0.74 | S | S | . | * | trans | -40.7 | 110.6 | 163.5 | -43.8 | 0 | 0 | 0 | 0 | 106.7 | T63 Y67 | T63-T65 VanDerWaalsContact C-N 3.29Å; T63-T65 PolarHBondContact O-N 2.95Å; T65-Y67 WeakPolarHBondContact O-CD2 3.38Å; T65-Y67 PolarHBondContact O-N 3.24Å | ||
| 66 | R | 50.6 | Low | 51.9 | Low | 238 Ų | 238 | 134 Ų | 134 | 90% | 0.898 | 74% | 0.739 | S | S | * | * | trans | -60.7 | 90.3 | 171.5 | -83.4 | -105.9 | -153.7 | -160 | 4.7 | 105.9 | V64 P68 | V64-R66 PolarHBondContact O-N 2.97Å; R66-P68 VanDerWaalsContact O-CD 3.31Å; R66-P68 WeakPolarHBondContact O-CD 3.32Å; R66-P68 VanDerWaalsContact O-N 3.17Å | ||
| 67 | Y | 44.3 | Very low | 53.3 | Low | 189 Ų | 189 | 128.7 Ų | 128.7 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | -60.4 | 117.7 | 164 | -71.6 | -83.2 | 0 | 0 | 0 | 105.2 | T65 A69 | T65-Y67 WeakPolarHBondContact O-CD2 3.38Å; T65-Y67 PolarHBondContact O-N 3.24Å; Y67-A69 PolarHBondContact O-N 3.25Å; Y67-A69 VanDerWaalsContact O-N 3.1Å | ||
| 68 | P | 56.8 | Low | 55.1 | Low | 103 Ų | 103 | 119.8 Ų | 119.8 | 67% | 0.669 | 68% | 0.677 | S | S | * | * | trans | -55.7 | 125.9 | 173.5 | 23 | -30.3 | 0 | 0 | 0 | 106.1 | R66 N70 | R66-P68 VanDerWaalsContact O-CD 3.31Å; R66-P68 WeakPolarHBondContact O-CD 3.32Å; R66-P68 VanDerWaalsContact O-N 3.17Å; P68-N70 PolarHBondContact O-N 3.39Å | ||
| 69 | A | 58.1 | Low | 56.6 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 78% | 0.777 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -70.5 | 46.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Y67 | Y67-A69 PolarHBondContact O-N 3.25Å; Y67-A69 VanDerWaalsContact O-N 3.1Å |
| 70 | N | 54 | Low | 58.2 | Low | 128 Ų | 128 | 115.9 Ų | 115.9 | 68% | 0.684 | 66% | 0.657 | S | S | * | * | trans | -121.1 | 39.3 | -179 | -54.8 | -12.9 | 0 | 0 | 0 | 108.3 | P68 I72 | P68-N70 PolarHBondContact O-N 3.39Å; N70-I72 PolarHBondContact O-N 3.46Å | ||
| 71 | S | 51.6 | Low | 59.9 | Low | 116 Ų | 116 | 108.9 Ų | 108.9 | 81% | 0.811 | 63% | 0.628 | S | S | * | * | trans | -73.3 | 50.8 | 152.3 | 65.4 | 0 | 0 | 0 | 0 | 108.7 | V73 | S71-V73 PolarHBondContact O-N 3.05Š| ||
| 72 | I | 57.2 | Low | 61.3 | Low | 67 Ų | 67 | 111.3 Ų | 111.3 | 34% | 0.344 | 62% | 0.619 | S | S | . | * | trans | -81.3 | 109.5 | 163.4 | -129.7 | 76.1 | 0 | 0 | 0 | 103.6 | N70 V74 | N70-I72 PolarHBondContact O-N 3.46Å; I72-V74 PolarHBondContact O-N 3.31Å | ||
| 73 | V | 55.8 | Low | 62.6 | Low | 126 Ų | 126 | 106.6 Ų | 106.6 | 76% | 0.764 | 61% | 0.614 | S | S | * | * | trans | -35.9 | 108.1 | 161.6 | -94.7 | 0 | 0 | 0 | 0 | 108.2 | S71 V75 | S71-V73 PolarHBondContact O-N 3.05Å; V73-V75 PolarHBondContact O-N 3.4Å | ||
| 74 | V | 57.1 | Low | 63.8 | Low | 123 Ų | 123 | 100.3 Ų | 100.3 | 75% | 0.745 | 58% | 0.576 | S | S | * | * | trans | -73 | 74.2 | 179.8 | -177 | 0 | 0 | 0 | 0 | 107 | I72 G76 | I72-V74 PolarHBondContact O-N 3.31Å; V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 2.79Å; V74-G76 VanDerWaalsContact O-N 3.17Å | ||
| 75 | V | 57.9 | Low | 65 | Low | 129 Ų | 129 | 99 Ų | 99 | 78% | 0.782 | 57% | 0.567 | S | S | * | * | trans | -72 | 102.3 | 154.3 | -172.3 | 0 | 0 | 0 | 0 | 103.5 | V73 G77 | V73-V75 PolarHBondContact O-N 3.4Å; V75-G77 PolarHBondContact O-N 2.64Å | ||
| 76 | G | 64.8 | Low | 66.6 | Low | 67 Ų | 67 | 97.2 Ų | 97.2 | 69% | 0.691 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -40.1 | 119.7 | -154.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | V74 | V74-G76 VanDerWaalsContact C-N 3.31Å; V74-G76 PolarHBondContact O-N 2.79Å; V74-G76 VanDerWaalsContact O-N 3.17Å |
| 77 | G | 73 | Confident | 67.9 | Low | 24 Ų | 24 | 90.9 Ų | 90.9 | 25% | 0.247 | 54% | 0.535 | C | S | . | . | S | Bend | trans | 174.2 | -171.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | V75 G84 | V75-G77 PolarHBondContact O-N 2.64Å; G77-G84 CarbonylContact C-O 3.55Å; G77-G84 WeakPolarHBondContact CA-O 3.28Å |
| 78 | C | 79.9 | Confident | 69.7 | Low | 1 Ų | 1 | 83.9 Ų | 83.9 | 1% | 0.007 | 51% | 0.51 | C | S | . | . | trans | -61.1 | 120.8 | 169.5 | 169.2 | 0 | 0 | 0 | 0 | 108.8 | V80 C81 R82 G84 L86 C117 C120 | C78-V80 PolarHBondContact O-N 3.44Å; C78-V80 VanDerWaalsContact SG-CB 3.6Å; C78-V80 PolarHBondContact SG-N 3.42Å; C78-C81 WeakPolarHBondContact CB-SG 3.37Å; C78-C81 PolarHBondContact O-N 3.3Å; C78-C81 PolarHBondContact SG-N 2.78Å; C78-C81 VanDerWaalsContact SG-N 3.43Å; C78-R82 WeakPolarHBondContact O-CA 3.45Å; C78-R82 PolarHBondContact O-N 3Å; C78-G84 PolarHBondContact N-O 3.4Å; C78-L86 VanDerWaalsContact CA-CD1 3.44Å; C78-L86 HydrophobicContact CB-CD1 3.82Å; C78-C117 HydrophobicContact CB-CB 3.59Å; C78-C117 WeakPolarHBondContact CB-SG 3.39Å; C78-C120 WeakPolarHBondContact CB-SG 3.48Å; C78-C120 WeakPolarHBondContact SG-CB 3.19Å; C78-C120 CovalentContact SG-SG 2.12Å; C78-C120 PolarHBondContact SG-SG 2.67Å | ||
| 79 | P | 77.2 | Confident | 70.8 | Confident | 64 Ų | 64 | 81.6 Ų | 81.6 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -16 | 178.9 | 27.3 | -37 | 0 | 0 | 0 | 112.9 | F124 | P79-F124 HydrophobicContact CG-CD1 3.93Å; P79-F124 HydrophobicContact CG-CE1 3.17Å; P79-F124 HydrophobicContact CG-CE2 4.05Å; P79-F124 HydrophobicContact CG-CZ 3.25Å |
| 80 | V | 81.1 | Confident | 71.9 | Confident | 101 Ų | 101 | 81 Ų | 81 | 61% | 0.612 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -51.5 | 176.7 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | C78 C120 A122 F124 | C78-V80 PolarHBondContact O-N 3.44Å; C78-V80 VanDerWaalsContact SG-CB 3.6Å; C78-V80 PolarHBondContact SG-N 3.42Å; V80-C120 HydrophobicContact CB-CB 4.44Å; V80-C120 HydrophobicContact CG1-CB 4.38Å; V80-A122 HydrophobicContact CB-CB 4.29Å; V80-A122 HydrophobicContact CG2-CB 3.92Å; V80-F124 HydrophobicContact CG2-CE1 4.46Å; V80-F124 HydrophobicContact CG2-CZ 3.94Å |
| 81 | C | 81 | Confident | 73.2 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -13.8 | -175.1 | 64.8 | 0 | 0 | 0 | 0 | 115.7 | C78 V83 G84 C120 | C78-C81 WeakPolarHBondContact CB-SG 3.37Å; C78-C81 PolarHBondContact O-N 3.3Å; C78-C81 PolarHBondContact SG-N 2.78Å; C78-C81 VanDerWaalsContact SG-N 3.43Å; C81-V83 HydrophobicContact CB-CG2 4.03Å; C81-V83 PolarHBondContact O-N 2.92Å; C81-G84 PolarHBondContact SG-N 3.32Å; C81-C120 HydrophobicContact CB-CB 3.65Å; C81-C120 VanDerWaalsContact SG-CB 3.51Å; C81-C120 VanDerWaalsContact SG-SG 3.69Å |
| 82 | R | 79.1 | Confident | 74.8 | Confident | 172 Ų | 172 | 80.2 Ų | 80.2 | 65% | 0.649 | 46% | 0.456 | S | S | * | . | S | Bend | trans | 56.9 | -14.4 | -177.5 | -54.9 | -174 | -176 | 178.3 | 4.1 | 116.8 | C78 | C78-R82 WeakPolarHBondContact O-CA 3.45Å; C78-R82 PolarHBondContact O-N 3Å |
| 83 | V | 79.6 | Confident | 76.1 | Confident | 120 Ų | 120 | 82.5 Ų | 82.5 | 73% | 0.727 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -97.1 | -23 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | C81 | C81-V83 HydrophobicContact CB-CG2 4.03Å; C81-V83 PolarHBondContact O-N 2.92Å |
| 84 | G | 78.5 | Confident | 77.6 | Confident | 1 Ų | 1 | 76.5 Ų | 76.5 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -89.6 | 143.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G77 C78 C81 | G77-G84 CarbonylContact C-O 3.55Å; G77-G84 WeakPolarHBondContact CA-O 3.28Å; C78-G84 PolarHBondContact N-O 3.4Å; C81-G84 PolarHBondContact SG-N 3.32Å |
| 85 | V | 79.4 | Confident | 79.1 | Confident | 90 Ų | 90 | 73.9 Ų | 73.9 | 55% | 0.545 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 145.5 | 167.7 | -66.8 | 0 | 0 | 0 | 0 | 110 | E87 C117 P118 | V85-E87 HydrophobicContact CG2-CG 4.37Å; V85-C117 PolarHBondContact O-SG 3.36Å; V85-C117 VanDerWaalsContact O-SG 3.37Å; V85-P118 WeakPolarHBondContact O-CD 3.31Å |
| 86 | L | 80.9 | Confident | 80.5 | Confident | 52 Ų | 52 | 73.7 Ų | 73.7 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 116.3 | 169.4 | -113 | 64.1 | 0 | 0 | 0 | 107.6 | C78 R115 C117 F124 | C78-L86 VanDerWaalsContact CA-CD1 3.44Å; C78-L86 HydrophobicContact CB-CD1 3.82Å; L86-R115 HydrophobicContact CB-CB 4.43Å; L86-R115 HydrophobicContact CD2-CB 3.53Å; L86-R115 HydrophobicContact CD2-CG 4.31Å; L86-R115 HydrophobicContact CG-CB 3.88Å; L86-C117 HydrophobicContact CD1-CB 4.06Å; L86-F124 HydrophobicContact CD1-CD2 3.74Å; L86-F124 HydrophobicContact CD1-CE2 3.77Å; L86-F124 HydrophobicContact CD2-CB 4.33Å; L86-F124 HydrophobicContact CD2-CD2 3.79Å; L86-F124 HydrophobicContact CD2-CG 4.28Å; L86-F124 HydrophobicContact CG-CD2 4.01Å |
| 87 | E | 77.7 | Confident | 81.3 | Confident | 105 Ų | 105 | 73 Ų | 73 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 163.3 | 169.2 | -64.9 | -176.6 | 174.5 | 0 | 0 | 109.3 | V85 R115 R116 P118 | V85-E87 HydrophobicContact CG2-CG 4.37Å; E87-R115 CarbonylContact O-C 3.4Å; E87-R115 VanDerWaalsContact O-CA 3.26Å; E87-R115 WeakPolarHBondContact O-CA 3.49Å; E87-R116 CarbonylContact C-O 3.55Å; E87-R116 WeakPolarHBondContact CA-O 3.31Å; E87-R116 PolarHBondContact N-O 2.82Å; E87-R116 PolarHBondContact O-N 3.33Å; E87-P118 HydrophobicContact CG-CG 4.32Å |
| 88 | D | 82.5 | Confident | 82.2 | Confident | 41 Ų | 41 | 72 Ų | 72 | 22% | 0.219 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 111.6 | -178.2 | -76.1 | -91.2 | 0 | 0 | 0 | 110.8 | R113 K114 R115 | D88-R113 HydrophobicContact CB-CG 3.69Å; D88-R113 WeakPolarHBondContact OD1-CG 3.48Å; D88-R113 IonicContact OD1-CZ 3.58Å; D88-R113 IonicContact OD1-NE 2.78Å; D88-R113 PolarHBondContact OD1-NE 2.64Å; D88-R113 IonicContact OD1-NH2 3.62Å; D88-R113 IonicContact OD2-CZ 3.38Å; D88-R113 IonicContact OD2-NE 3.42Å; D88-R113 PolarHBondContact OD2-NE 2.89Å; D88-R113 IonicContact OD2-NH2 2.64Å; D88-R113 PolarHBondContact OD2-NH2 3.16Å; D88-K114 CarbonylContact C-O 3.59Å; D88-K114 WeakPolarHBondContact CA-O 3.45Å; D88-R115 WeakPolarHBondContact OD1-CG 3.12Å; D88-R115 IonicContact OD1-NE 3.84Å |
| 89 | C | 79.5 | Confident | 82.6 | Confident | 55 Ų | 55 | 78.1 Ų | 78.1 | 37% | 0.372 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 117.5 | 175.9 | -61.1 | 0 | 0 | 0 | 0 | 109.5 | K114 R116 | C89-K114 PolarHBondContact N-O 2.76Å; C89-K114 PolarHBondContact O-N 2.81Å; C89-R116 VanDerWaalsContact SG-CB 3.53Å |
| 90 | F | 82 | Confident | 83.2 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 36% | 0.364 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 132.5 | 166.4 | -63.2 | -83.9 | 0 | 0 | 0 | 109.2 | I95 F110 R113 | F90-I95 HydrophobicContact CB-CD1 3.78Å; F90-I95 HydrophobicContact CB-CG1 3.99Å; F90-F110 HydrophobicContact CE1-CD1 4.14Å; F90-F110 AromaticContact CE1-CE1 3.99Å; F90-F110 HydrophobicContact CE1-CE1 3.99Å; F90-F110 HydrophobicContact CE1-CZ 4.27Å; F90-F110 HydrophobicContact CZ-CE1 4.1Å; F90-F110 HydrophobicContact CZ-CZ 4.37Å; F90-R113 HydrophobicContact CD1-CG 4.46Å; F90-R113 HydrophobicContact CE1-CG 4.34Å; F90-R113 VanDerWaalsContact CZ-NH1 3.31Å |
| 91 | T | 82.3 | Confident | 83.4 | Confident | 36 Ų | 36 | 80.1 Ų | 80.1 | 22% | 0.221 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 138.6 | 173.9 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | L93 G94 I95 | T91-L93 PolarHBondContact O-N 3.5Å; T91-G94 PolarHBondContact O-N 2.83Å; T91-G94 PolarHBondContact OG1-N 2.72Å; T91-I95 WeakPolarHBondContact O-CD1 3.2Å; T91-I95 PolarHBondContact O-N 3.01Å; T91-I95 VanDerWaalsContact O-N 3.11Å |
| 92 | F | 84 | Confident | 83.4 | Confident | 191 Ų | 191 | 85.7 Ų | 85.7 | 84% | 0.838 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -51.5 | -39.2 | 172.5 | -77.4 | -77.2 | 0 | 0 | 0 | 111.7 | I95 F96 | F92-I95 PolarHBondContact O-N 3.32Å; F92-F96 WeakPolarHBondContact O-CB 3.45Å; F92-F96 PolarHBondContact O-N 2.96Å |
| 93 | L | 84.9 | Confident | 83.6 | Confident | 114 Ų | 114 | 80.9 Ų | 80.9 | 60% | 0.597 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 175.5 | -174 | 69.3 | 0 | 0 | 0 | 112.4 | T91 I95 F96 L97 | T91-L93 PolarHBondContact O-N 3.5Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 2.9Å; L93-F96 PolarHBondContact O-N 2.96Å; L93-L97 HydrophobicContact CG-CD1 4.4Å; L93-L97 WeakPolarHBondContact O-CG 3.18Å; L93-L97 PolarHBondContact O-N 2.93Å |
| 94 | G | 86.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T91 L97 A98 C109 | T91-G94 PolarHBondContact O-N 2.83Å; T91-G94 PolarHBondContact OG1-N 2.72Å; G94-L97 PolarHBondContact O-N 3.22Å; G94-A98 WeakPolarHBondContact O-CB 3.43Å; G94-A98 PolarHBondContact O-N 3.01Å; G94-C109 WeakPolarHBondContact O-CB 3.17Å |
| 95 | I | 88.1 | Confident | 84.3 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 35% | 0.354 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.4 | -61.4 | 152 | 0 | 0 | 0 | 110.3 | F90 T91 F92 L93 L97 A98 I99 C109 | F90-I95 HydrophobicContact CB-CD1 3.78Å; F90-I95 HydrophobicContact CB-CG1 3.99Å; T91-I95 WeakPolarHBondContact O-CD1 3.2Å; T91-I95 PolarHBondContact O-N 3.01Å; T91-I95 VanDerWaalsContact O-N 3.11Å; F92-I95 PolarHBondContact O-N 3.32Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-I95 PolarHBondContact O-N 2.9Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.25Å; I95-A98 WeakPolarHBondContact O-CB 3.46Å; I95-A98 PolarHBondContact O-N 2.73Å; I95-A98 VanDerWaalsContact O-N 3.13Å; I95-I99 HydrophobicContact CG2-CD1 4.16Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.37Å; I95-I99 VanDerWaalsContact O-N 3.08Å; I95-C109 PolarHBondContact N-SG 3.37Å; I95-C109 VanDerWaalsContact N-SG 3.45Å |
| 96 | F | 87.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 55% | 0.548 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 177 | -171.8 | -105 | 0 | 0 | 0 | 112 | F92 L93 I99 I100 | F92-F96 WeakPolarHBondContact O-CB 3.45Å; F92-F96 PolarHBondContact O-N 2.96Å; L93-F96 PolarHBondContact O-N 2.96Å; F96-I99 PolarHBondContact O-N 3.35Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CE1-CD1 3.28Å; F96-I100 HydrophobicContact CE2-CD1 4.13Å; F96-I100 HydrophobicContact CG-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CD1 3.52Å; F96-I100 WeakPolarHBondContact O-CG1 3.26Å; F96-I100 PolarHBondContact O-N 2.98Å |
| 97 | L | 83.4 | Confident | 85.1 | Confident | 51 Ų | 51 | 86.6 Ų | 86.6 | 27% | 0.267 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.4 | -36.1 | 174.1 | -66.6 | 173.4 | 0 | 0 | 0 | 112.5 | L93 G94 I95 I99 I100 L101 | L93-L97 HydrophobicContact CG-CD1 4.4Å; L93-L97 WeakPolarHBondContact O-CG 3.18Å; L93-L97 PolarHBondContact O-N 2.93Å; G94-L97 PolarHBondContact O-N 3.22Å; I95-L97 VanDerWaalsContact C-N 3.33Å; I95-L97 PolarHBondContact O-N 3.25Å; L97-I99 VanDerWaalsContact C-N 3.31Å; L97-I99 PolarHBondContact O-N 2.12Å; L97-I100 PolarHBondContact O-N 3.46Å; L97-L101 HydrophobicContact CD2-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CB 3.43Å; L97-L101 PolarHBondContact O-N 3.43Å |
| 98 | A | 90.5 | Very high | 85.3 | Confident | 5 Ų | 5 | 84.1 Ų | 84.1 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | G94 I95 G105 F106 C109 | G94-A98 WeakPolarHBondContact O-CB 3.43Å; G94-A98 PolarHBondContact O-N 3.01Å; I95-A98 WeakPolarHBondContact O-CB 3.46Å; I95-A98 PolarHBondContact O-N 2.73Å; I95-A98 VanDerWaalsContact O-N 3.13Å; A98-G105 VanDerWaalsContact CA-C 3.44Å; A98-F106 HydrophobicContact CB-CD1 4.34Å; A98-F106 HydrophobicContact CB-CD2 4.27Å; A98-F106 HydrophobicContact CB-CE2 4.45Å; A98-F106 HydrophobicContact CB-CG 4.21Å; A98-C109 HydrophobicContact CB-CB 4.04Å |
| 99 | I | 89.7 | Confident | 85.3 | Confident | 128 Ų | 128 | 82.6 Ų | 82.6 | 66% | 0.656 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -70.4 | -43.1 | 179.1 | -64.7 | 165.3 | 0 | 0 | 0 | 110.9 | I95 F96 L97 | I95-I99 HydrophobicContact CG2-CD1 4.16Å; I95-I99 WeakPolarHBondContact O-CG1 3.45Å; I95-I99 PolarHBondContact O-N 3.37Å; I95-I99 VanDerWaalsContact O-N 3.08Å; F96-I99 PolarHBondContact O-N 3.35Å; L97-I99 VanDerWaalsContact C-N 3.31Å; L97-I99 PolarHBondContact O-N 2.12Å |
| 100 | I | 88.5 | Confident | 85.5 | Confident | 108 Ų | 108 | 85.5 Ų | 85.5 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -77.4 | -36.8 | -173.8 | -63.2 | 171.8 | 0 | 0 | 0 | 112.3 | F96 L97 | F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CE1-CD1 3.28Å; F96-I100 HydrophobicContact CE2-CD1 4.13Å; F96-I100 HydrophobicContact CG-CD1 4.34Å; F96-I100 HydrophobicContact CZ-CD1 3.52Å; F96-I100 WeakPolarHBondContact O-CG1 3.26Å; F96-I100 PolarHBondContact O-N 2.98Å; L97-I100 PolarHBondContact O-N 3.46Å |
| 101 | L | 84.8 | Confident | 85.4 | Confident | 100 Ų | 100 | 85.5 Ų | 85.5 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 35.5 | -169.4 | -73.3 | 154.1 | 0 | 0 | 0 | 113 | L97 P103 F104 G105 | L97-L101 HydrophobicContact CD2-CD1 4.28Å; L97-L101 WeakPolarHBondContact O-CB 3.43Å; L97-L101 PolarHBondContact O-N 3.43Å; L101-P103 CarbonylContact O-C 3.47Å; L101-F104 PolarHBondContact O-N 2.72Å; L101-G105 PolarHBondContact O-N 3.31Å |
| 102 | F | 81.4 | Confident | 85.2 | Confident | 153 Ų | 153 | 87.1 Ų | 87.1 | 67% | 0.671 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 125.4 | 179.4 | -169.5 | -104.2 | 0 | 0 | 0 | 111.1 | F106 | F102-F106 AromaticContact CD2-CD2 3.66Å; F102-F106 HydrophobicContact CD2-CD2 3.66Å; F102-F106 AromaticContact CD2-CE2 3.47Å; F102-F106 HydrophobicContact CD2-CE2 3.47Å; F102-F106 VanDerWaalsContact CD2-CE2 3.47Å; F102-F106 AromaticContact CE2-CD2 3.82Å; F102-F106 HydrophobicContact CE2-CD2 3.82Å; F102-F106 AromaticContact CE2-CE2 3.56Å; F102-F106 HydrophobicContact CE2-CE2 3.56Å |
| 103 | P | 84 | Confident | 85.1 | Confident | 72 Ų | 72 | 82.1 Ų | 82.1 | 47% | 0.468 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97.6 | -13.1 | 6 | 36.2 | -35.4 | 0 | 0 | 0 | 115.6 | L101 G105 F106 | L101-P103 CarbonylContact O-C 3.47Å; P103-G105 PolarHBondContact O-N 3.37Å; P103-F106 PolarHBondContact O-N 3.35Å |
| 104 | F | 86.4 | Confident | 85 | Confident | 159 Ų | 159 | 80.8 Ų | 80.8 | 70% | 0.697 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.6 | -30.4 | -174.6 | -65.5 | -74.7 | 0 | 0 | 0 | 113.2 | L101 F106 I107 C108 | L101-F104 PolarHBondContact O-N 2.72Å; F104-F106 VanDerWaalsContact C-N 3.28Å; F104-F106 PolarHBondContact O-N 3.35Å; F104-I107 PolarHBondContact O-N 3.17Å; F104-C108 PolarHBondContact O-N 3.14Å |
| 105 | G | 87 | Confident | 84.9 | Confident | 2 Ų | 2 | 87.5 Ų | 87.5 | 2% | 0.021 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -62.9 | -32.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A98 L101 P103 I107 C108 C109 | A98-G105 VanDerWaalsContact CA-C 3.44Å; L101-G105 PolarHBondContact O-N 3.31Å; P103-G105 PolarHBondContact O-N 3.37Å; G105-I107 PolarHBondContact O-N 3.06Å; G105-C108 PolarHBondContact O-N 2.73Å; G105-C109 WeakPolarHBondContact O-CB 3.29Å; G105-C109 PolarHBondContact O-N 2.83Å |
| 106 | F | 87.5 | Confident | 84.6 | Confident | 101 Ų | 101 | 90.1 Ų | 90.1 | 44% | 0.443 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 176.2 | -88 | -83.4 | 0 | 0 | 0 | 111.3 | A98 F102 P103 F104 C108 C109 F110 | A98-F106 HydrophobicContact CB-CD1 4.34Å; A98-F106 HydrophobicContact CB-CD2 4.27Å; A98-F106 HydrophobicContact CB-CE2 4.45Å; A98-F106 HydrophobicContact CB-CG 4.21Å; F102-F106 AromaticContact CD2-CD2 3.66Å; F102-F106 HydrophobicContact CD2-CD2 3.66Å; F102-F106 AromaticContact CD2-CE2 3.47Å; F102-F106 HydrophobicContact CD2-CE2 3.47Å; F102-F106 VanDerWaalsContact CD2-CE2 3.47Å; F102-F106 AromaticContact CE2-CD2 3.82Å; F102-F106 HydrophobicContact CE2-CD2 3.82Å; F102-F106 AromaticContact CE2-CE2 3.56Å; F102-F106 HydrophobicContact CE2-CE2 3.56Å; P103-F106 PolarHBondContact O-N 3.35Å; F104-F106 VanDerWaalsContact C-N 3.28Å; F104-F106 PolarHBondContact O-N 3.35Å; F106-C108 VanDerWaalsContact C-N 3.31Å; F106-C108 PolarHBondContact O-N 2.91Å; F106-C109 WeakPolarHBondContact O-CB 3.39Å; F106-C109 PolarHBondContact O-N 2.95Å; F106-C109 VanDerWaalsContact O-N 3.14Å; F106-F110 VanDerWaalsContact O-CD2 3.28Å; F106-F110 WeakPolarHBondContact O-CD2 3.11Å; F106-F110 PolarHBondContact O-N 3.38Å |
| 107 | I | 87.8 | Confident | 84.5 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 62% | 0.621 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 178.8 | -57.9 | 171.9 | 0 | 0 | 0 | 110 | F104 G105 C109 F110 A111 | F104-I107 PolarHBondContact O-N 3.17Å; G105-I107 PolarHBondContact O-N 3.06Å; I107-C109 VanDerWaalsContact C-N 3.35Å; I107-C109 PolarHBondContact O-N 2.92Å; I107-F110 PolarHBondContact O-N 3.04Å; I107-A111 PolarHBondContact O-N 2.78Å |
| 108 | C | 82.2 | Confident | 84.3 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | F104 G105 F106 F110 A111 L112 | F104-C108 PolarHBondContact O-N 3.14Å; G105-C108 PolarHBondContact O-N 2.73Å; F106-C108 VanDerWaalsContact C-N 3.31Å; F106-C108 PolarHBondContact O-N 2.91Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 3.4Å; C108-A111 PolarHBondContact O-N 3.15Å; C108-L112 WeakPolarHBondContact O-CG 3.38Å; C108-L112 PolarHBondContact O-N 2.69Å; C108-L112 VanDerWaalsContact O-N 3.11Å |
| 109 | C | 83.1 | Confident | 83.6 | Confident | 8 Ų | 8 | 90.5 Ų | 90.5 | 5% | 0.054 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | G94 I95 A98 G105 F106 I107 L112 R113 | G94-C109 WeakPolarHBondContact O-CB 3.17Å; I95-C109 PolarHBondContact N-SG 3.37Å; I95-C109 VanDerWaalsContact N-SG 3.45Å; A98-C109 HydrophobicContact CB-CB 4.04Å; G105-C109 WeakPolarHBondContact O-CB 3.29Å; G105-C109 PolarHBondContact O-N 2.83Å; F106-C109 WeakPolarHBondContact O-CB 3.39Å; F106-C109 PolarHBondContact O-N 2.95Å; F106-C109 VanDerWaalsContact O-N 3.14Å; I107-C109 VanDerWaalsContact C-N 3.35Å; I107-C109 PolarHBondContact O-N 2.92Å; C109-L112 PolarHBondContact O-N 3.1Å; C109-R113 PolarHBondContact O-N 2.74Å |
| 110 | F | 83.2 | Confident | 83.3 | Confident | 116 Ų | 116 | 86.4 Ų | 86.4 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69.1 | -35.8 | 175 | -85.9 | -82.8 | 0 | 0 | 0 | 112.6 | F90 F106 I107 C108 L112 R113 | F90-F110 HydrophobicContact CE1-CD1 4.14Å; F90-F110 AromaticContact CE1-CE1 3.99Å; F90-F110 HydrophobicContact CE1-CE1 3.99Å; F90-F110 HydrophobicContact CE1-CZ 4.27Å; F90-F110 HydrophobicContact CZ-CE1 4.1Å; F90-F110 HydrophobicContact CZ-CZ 4.37Å; F106-F110 VanDerWaalsContact O-CD2 3.28Å; F106-F110 WeakPolarHBondContact O-CD2 3.11Å; F106-F110 PolarHBondContact O-N 3.38Å; I107-F110 PolarHBondContact O-N 3.04Å; C108-F110 VanDerWaalsContact C-N 3.34Å; C108-F110 PolarHBondContact O-N 3.4Å; F110-L112 VanDerWaalsContact C-N 3.27Å; F110-L112 PolarHBondContact O-N 2.7Å; F110-R113 WeakPolarHBondContact O-CB 3.47Å; F110-R113 PolarHBondContact O-N 2.75Å |
| 111 | A | 81 | Confident | 82.8 | Confident | 83 Ų | 83 | 82.7 Ų | 82.7 | 69% | 0.686 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.7 | -30.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I107 C108 | I107-A111 PolarHBondContact O-N 2.78Å; C108-A111 PolarHBondContact O-N 3.15Å |
| 112 | L | 77.5 | Confident | 82.4 | Confident | 70 Ų | 70 | 79 Ų | 79 | 37% | 0.366 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 2.2 | 179.5 | -65.8 | 168.6 | 0 | 0 | 0 | 114 | C108 C109 F110 K114 | C108-L112 WeakPolarHBondContact O-CG 3.38Å; C108-L112 PolarHBondContact O-N 2.69Å; C108-L112 VanDerWaalsContact O-N 3.11Å; C109-L112 PolarHBondContact O-N 3.1Å; F110-L112 VanDerWaalsContact C-N 3.27Å; F110-L112 PolarHBondContact O-N 2.7Å; L112-K114 PolarHBondContact O-N 2.76Å |
| 113 | R | 82.9 | Confident | 82.2 | Confident | 87 Ų | 87 | 75.8 Ų | 75.8 | 33% | 0.328 | 40% | 0.397 | S | S | . | . | trans | -63.5 | 126.6 | 178 | 178.6 | 173.2 | 157.7 | 141.6 | 9.8 | 109.9 | D88 F90 C109 F110 | D88-R113 HydrophobicContact CB-CG 3.69Å; D88-R113 WeakPolarHBondContact OD1-CG 3.48Å; D88-R113 IonicContact OD1-CZ 3.58Å; D88-R113 IonicContact OD1-NE 2.78Å; D88-R113 PolarHBondContact OD1-NE 2.64Å; D88-R113 IonicContact OD1-NH2 3.62Å; D88-R113 IonicContact OD2-CZ 3.38Å; D88-R113 IonicContact OD2-NE 3.42Å; D88-R113 PolarHBondContact OD2-NE 2.89Å; D88-R113 IonicContact OD2-NH2 2.64Å; D88-R113 PolarHBondContact OD2-NH2 3.16Å; F90-R113 HydrophobicContact CD1-CG 4.46Å; F90-R113 HydrophobicContact CE1-CG 4.34Å; F90-R113 VanDerWaalsContact CZ-NH1 3.31Å; C109-R113 PolarHBondContact O-N 2.74Å; F110-R113 WeakPolarHBondContact O-CB 3.47Å; F110-R113 PolarHBondContact O-N 2.75Å | ||
| 114 | K | 83 | Confident | 81.7 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 37% | 0.37 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 139.9 | 177.8 | -66.5 | -171.5 | 174.1 | 67.5 | 0 | 110 | D88 C89 L112 T125 | D88-K114 CarbonylContact C-O 3.59Å; D88-K114 WeakPolarHBondContact CA-O 3.45Å; C89-K114 PolarHBondContact N-O 2.76Å; C89-K114 PolarHBondContact O-N 2.81Å; L112-K114 PolarHBondContact O-N 2.76Å; K114-T125 HydrophobicContact CD-CG2 3.83Å; K114-T125 HydrophobicContact CG-CG2 4.15Å |
| 115 | R | 82.5 | Confident | 81.1 | Confident | 142 Ų | 142 | 75.6 Ų | 75.6 | 54% | 0.536 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 119.3 | 174.8 | -51.9 | -156.1 | 175.6 | -163.3 | 1.6 | 109.4 | L86 E87 D88 T123 F124 | L86-R115 HydrophobicContact CB-CB 4.43Å; L86-R115 HydrophobicContact CD2-CB 3.53Å; L86-R115 HydrophobicContact CD2-CG 4.31Å; L86-R115 HydrophobicContact CG-CB 3.88Å; E87-R115 CarbonylContact O-C 3.4Å; E87-R115 VanDerWaalsContact O-CA 3.26Å; E87-R115 WeakPolarHBondContact O-CA 3.49Å; D88-R115 WeakPolarHBondContact OD1-CG 3.12Å; D88-R115 IonicContact OD1-NE 3.84Å; R115-T123 CarbonylContact O-C 3.37Å; R115-T123 WeakPolarHBondContact O-CA 3.25Å; R115-F124 HydrophobicContact CB-CB 4.43Å; R115-F124 PolarHBondContact N-O 3.3Å; R115-F124 PolarHBondContact O-N 2.91Å; R115-F124 VanDerWaalsContact O-O 3.12Å |
| 116 | R | 82.3 | Confident | 80.8 | Confident | 124 Ų | 124 | 79.3 Ų | 79.3 | 47% | 0.468 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.8 | 177 | -171.7 | 173.5 | -176.3 | 179.7 | -4.5 | 109.3 | E87 C89 G121 A122 T123 | E87-R116 CarbonylContact C-O 3.55Å; E87-R116 WeakPolarHBondContact CA-O 3.31Å; E87-R116 PolarHBondContact N-O 2.82Å; E87-R116 PolarHBondContact O-N 3.33Å; C89-R116 VanDerWaalsContact SG-CB 3.53Å; R116-G121 PolarHBondContact NE-O 2.93Å; R116-A122 WeakPolarHBondContact CA-O 3.45Å; R116-T123 HydrophobicContact CB-CG2 3.94Å; R116-T123 HydrophobicContact CG-CG2 3.6Å |
| 117 | C | 84.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 78.1 Ų | 78.1 | 0% | 0 | 42% | 0.42 | C | S | . | . | trans | -92.6 | 128.7 | 168.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | C78 V85 L86 N119 C120 G121 A122 | C78-C117 HydrophobicContact CB-CB 3.59Å; C78-C117 WeakPolarHBondContact CB-SG 3.39Å; V85-C117 PolarHBondContact O-SG 3.36Å; V85-C117 VanDerWaalsContact O-SG 3.37Å; L86-C117 HydrophobicContact CD1-CB 4.06Å; C117-N119 VanDerWaalsContact C-N 3.34Å; C117-N119 PolarHBondContact SG-N 2.7Å; C117-C120 WeakPolarHBondContact CB-SG 3.47Å; C117-C120 PolarHBondContact SG-SG 3.22Å; C117-G121 WeakPolarHBondContact O-CA 3.36Å; C117-G121 PolarHBondContact O-N 3.02Å; C117-A122 PolarHBondContact N-O 3.37Å | ||
| 118 | P | 79.6 | Confident | 80 | Confident | 73 Ų | 73 | 75.7 Ų | 75.7 | 47% | 0.474 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -27.5 | 178.1 | 28.5 | -34.7 | 0 | 0 | 0 | 112.9 | V85 E87 | V85-P118 WeakPolarHBondContact O-CD 3.31Å; E87-P118 HydrophobicContact CG-CG 4.32Å |
| 119 | N | 76.5 | Confident | 79.9 | Confident | 116 Ų | 116 | 77.1 Ų | 77.1 | 62% | 0.62 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -43.7 | -179.6 | -83.5 | -66.4 | 0 | 0 | 0 | 113.3 | C117 | C117-N119 VanDerWaalsContact C-N 3.34Å; C117-N119 PolarHBondContact SG-N 2.7Å |
| 120 | C | 83 | Confident | 79.7 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 28% | 0.277 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -12.9 | -176.5 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | C78 V80 C81 C117 A122 | C78-C120 WeakPolarHBondContact CB-SG 3.48Å; C78-C120 WeakPolarHBondContact SG-CB 3.19Å; C78-C120 CovalentContact SG-SG 2.12Å; C78-C120 PolarHBondContact SG-SG 2.67Å; V80-C120 HydrophobicContact CB-CB 4.44Å; V80-C120 HydrophobicContact CG1-CB 4.38Å; C81-C120 HydrophobicContact CB-CB 3.65Å; C81-C120 VanDerWaalsContact SG-CB 3.51Å; C81-C120 VanDerWaalsContact SG-SG 3.69Å; C117-C120 WeakPolarHBondContact CB-SG 3.47Å; C117-C120 PolarHBondContact SG-SG 3.22Å; C120-A122 HydrophobicContact CB-CB 4.47Å; C120-A122 PolarHBondContact O-N 3.28Å; C120-A122 VanDerWaalsContact SG-CB 3.51Å |
| 121 | G | 77.7 | Confident | 79.4 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | trans | 69.1 | -9.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | R116 C117 T123 | R116-G121 PolarHBondContact NE-O 2.93Å; C117-G121 WeakPolarHBondContact O-CA 3.36Å; C117-G121 PolarHBondContact O-N 3.02Å; G121-T123 PolarHBondContact O-N 3.28Å | ||
| 122 | A | 77.2 | Confident | 79.3 | Confident | 23 Ų | 23 | 78.8 Ų | 78.8 | 19% | 0.19 | 41% | 0.411 | C | S | . | . | trans | -64 | 128.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111 | V80 R116 C117 C120 F124 | V80-A122 HydrophobicContact CB-CB 4.29Å; V80-A122 HydrophobicContact CG2-CB 3.92Å; R116-A122 WeakPolarHBondContact CA-O 3.45Å; C117-A122 PolarHBondContact N-O 3.37Å; C120-A122 HydrophobicContact CB-CB 4.47Å; C120-A122 PolarHBondContact O-N 3.28Å; C120-A122 VanDerWaalsContact SG-CB 3.51Å; A122-F124 HydrophobicContact CB-CE2 3.63Å; A122-F124 HydrophobicContact CB-CZ 3.53Å; A122-F124 WeakPolarHBondContact O-CE2 3.37Å | ||
| 123 | T | 77.5 | Confident | 79.5 | Confident | 85 Ų | 85 | 79.5 Ų | 79.5 | 52% | 0.521 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 127.3 | 174.9 | 48.8 | 0 | 0 | 0 | 0 | 109.8 | R115 R116 G121 | R115-T123 CarbonylContact O-C 3.37Å; R115-T123 WeakPolarHBondContact O-CA 3.25Å; R116-T123 HydrophobicContact CB-CG2 3.94Å; R116-T123 HydrophobicContact CG-CG2 3.6Å; G121-T123 PolarHBondContact O-N 3.28Å |
| 124 | F | 73.1 | Confident | 79.2 | Confident | 59 Ų | 59 | 78.8 Ų | 78.8 | 26% | 0.259 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 114.6 | 174.9 | -53.2 | -82.5 | 0 | 0 | 0 | 107.3 | P79 V80 L86 R115 A122 | P79-F124 HydrophobicContact CG-CD1 3.93Å; P79-F124 HydrophobicContact CG-CE1 3.17Å; P79-F124 HydrophobicContact CG-CE2 4.05Å; P79-F124 HydrophobicContact CG-CZ 3.25Å; V80-F124 HydrophobicContact CG2-CE1 4.46Å; V80-F124 HydrophobicContact CG2-CZ 3.94Å; L86-F124 HydrophobicContact CD1-CD2 3.74Å; L86-F124 HydrophobicContact CD1-CE2 3.77Å; L86-F124 HydrophobicContact CD2-CB 4.33Å; L86-F124 HydrophobicContact CD2-CD2 3.79Å; L86-F124 HydrophobicContact CD2-CG 4.28Å; L86-F124 HydrophobicContact CG-CD2 4.01Å; R115-F124 HydrophobicContact CB-CB 4.43Å; R115-F124 PolarHBondContact N-O 3.3Å; R115-F124 PolarHBondContact O-N 2.91Å; R115-F124 VanDerWaalsContact O-O 3.12Å; A122-F124 HydrophobicContact CB-CE2 3.63Å; A122-F124 HydrophobicContact CB-CZ 3.53Å; A122-F124 WeakPolarHBondContact O-CE2 3.37Å |
| 125 | T | 72.9 | Confident | 78.8 | Confident | 167 Ų | 167 | 78.3 Ų | 78.3 | 100% | 1.025 | 43% | 0.426 | S | S | * | . | trans | -91.5 | 0 | 174.3 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | K114 | K114-T125 HydrophobicContact CD-CG2 3.83Å; K114-T125 HydrophobicContact CG-CG2 4.15Å |
Retrieved 125 of 125 residues in 181.5 ms
(Link to these results)