| 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 | I | 47.7 | Very low | 47.5 | Very low | 210 Ų | 210 | 145.5 Ų | 145.5 | 100% | 1.077 | 83% | 0.826 | S | S | * | * | 0 | 110.1 | 0 | -54.9 | 171.3 | 0 | 0 | 0 | 106.8 | |||||
| 2 | P | 52.8 | Low | 47.2 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 134.9 | 176.4 | 30.5 | -29.5 | 0 | 0 | 0 | 110.5 | ||
| 3 | Y | 36.1 | Very low | 47.5 | Very low | 231 Ų | 231 | 145.6 Ų | 145.6 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 128.1 | 177 | -100.1 | -101.9 | 0 | 0 | 0 | 110.7 | ||
| 4 | H | 52.1 | Low | 47.5 | Very low | 171 Ų | 171 | 147 Ų | 147 | 79% | 0.792 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 124.8 | 164.4 | -88.7 | -112.6 | 0 | 0 | 0 | 108.9 | S6 | H4-S6 PolarHBondContact O-N 3.43Š|
| 5 | P | 50.9 | Low | 46.7 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 120.5 | 169.1 | 29.3 | -29.5 | 0 | 0 | 0 | 109.5 | ||
| 6 | S | 45.9 | Very low | 46.4 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 121.8 | 174.1 | -152.1 | 0 | 0 | 0 | 0 | 109.2 | H4 S8 | H4-S6 PolarHBondContact O-N 3.43Å; S6-S8 PolarHBondContact O-N 3.38Å; S6-S8 VanDerWaalsContact O-N 3.08Å |
| 7 | L | 48.8 | Very low | 46.4 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 96.3 | 173.1 | -78.7 | 164.5 | 0 | 0 | 0 | 109 | L9 | L7-L9 PolarHBondContact O-N 3.08Š| ||
| 8 | S | 44 | Very low | 46.1 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -68.2 | 118.2 | 171.2 | -174.3 | 0 | 0 | 0 | 0 | 110 | S6 G10 | S6-S8 PolarHBondContact O-N 3.38Å; S6-S8 VanDerWaalsContact O-N 3.08Å; S8-G10 PolarHBondContact O-N 3.05Å | ||
| 9 | L | 50.3 | Low | 45.8 | Very low | 166 Ų | 166 | 139.6 Ų | 139.6 | 87% | 0.869 | 81% | 0.81 | S | S | * | * | trans | -67.3 | 95.6 | 174.9 | -163.7 | 94.4 | 0 | 0 | 0 | 109.7 | L7 | L7-L9 PolarHBondContact O-N 3.08Š| ||
| 10 | G | 41.3 | Very low | 45.4 | Very low | 63 Ų | 63 | 142.9 Ų | 142.9 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | trans | -94.5 | 108.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | S8 V12 | S8-G10 PolarHBondContact O-N 3.05Å; G10-V12 PolarHBondContact O-N 3.48Å; G10-V12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | T | 52.4 | Low | 45.6 | Very low | 113 Ų | 113 | 141.3 Ų | 141.3 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | trans | -62.3 | 109 | 170.1 | -60 | 0 | 0 | 0 | 0 | 109.8 | L13 | T11-L13 HydrophobicContact CG2-CG 4.1Å; T11-L13 PolarHBondContact O-N 3.16Å | ||
| 12 | V | 43.9 | Very low | 45.3 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 80% | 0.798 | S | S | * | * | trans | -90.1 | 99.3 | 165.7 | 179.1 | 0 | 0 | 0 | 0 | 107.9 | G10 L14 | G10-V12 PolarHBondContact O-N 3.48Å; G10-V12 VanDerWaalsContact O-N 3.16Å; V12-L14 PolarHBondContact O-N 3.36Å | ||
| 13 | L | 51.3 | Low | 44.9 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 107.1 | 163.9 | -74.5 | 167.1 | 0 | 0 | 0 | 108.1 | T11 | T11-L13 HydrophobicContact CG2-CG 4.1Å; T11-L13 PolarHBondContact O-N 3.16Å | ||
| 14 | L | 47.7 | Very low | 45.4 | Very low | 165 Ų | 165 | 131.3 Ų | 131.3 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -112.5 | 109.9 | 167.2 | -161.3 | 68.6 | 0 | 0 | 0 | 110.8 | V12 | V12-L14 PolarHBondContact O-N 3.36Š| ||
| 15 | S | 34.8 | Very low | 45 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -62.7 | 125.6 | 179.8 | 171.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 16 | A | 43 | Very low | 44.4 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | 36.3 | 135.5 | 140.3 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 17 | N | 46.5 | Very low | 44.3 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 77% | 0.769 | S | S | * | * | trans | 114.5 | 112.8 | 138.7 | -51.7 | -61.4 | 0 | 0 | 0 | 115.3 | ||||
| 18 | Q | 39.9 | Very low | 44.3 | Very low | 196 Ų | 196 | 129 Ų | 129 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | 129.4 | 81.7 | 154 | -63 | -89.1 | 84.4 | 0 | 0 | 113.7 | ||||
| 19 | G | 40.3 | Very low | 44.6 | Very low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 76% | 0.758 | S | S | * | * | trans | 47.3 | 102.6 | 133 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 20 | F | 37.9 | Very low | 44.9 | Very low | 204 Ų | 204 | 125.1 Ų | 125.1 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | -164.2 | 132 | 118 | -129.4 | -97.8 | 0 | 0 | 0 | 108.9 | V22 | F20-V22 PolarHBondContact O-N 3.35Š| |||
| 21 | S | 49.2 | Very low | 45.6 | Very low | 110 Ų | 110 | 127.2 Ų | 127.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -69.1 | 113.1 | 179 | 51.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 22 | V | 41.4 | Very low | 46 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | trans | -127.8 | 89.9 | 152.4 | 173.6 | 0 | 0 | 0 | 0 | 106.7 | F20 G24 | F20-V22 PolarHBondContact O-N 3.35Å; V22-G24 PolarHBondContact O-N 3.24Å | ||
| 23 | Q | 44.2 | Very low | 46.6 | Very low | 175 Ų | 175 | 124.7 Ų | 124.7 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | trans | -69.5 | 74.9 | 162.1 | -164.1 | 173.9 | -5 | 0 | 0 | 106.9 | Q25 | Q23-Q25 PolarHBondContact O-N 3.3Š| ||
| 24 | G | 48.4 | Very low | 47.1 | Very low | 40 Ų | 40 | 121 Ų | 121 | 41% | 0.412 | 71% | 0.708 | S | S | . | * | trans | -75.9 | 76.1 | 172 | 0 | 0 | 0 | 0 | 0 | 108.8 | V22 Y26 | V22-G24 PolarHBondContact O-N 3.24Å; G24-Y26 VanDerWaalsContact C-N 3.35Å; G24-Y26 VanDerWaalsContact O-CD2 3.27Å; G24-Y26 WeakPolarHBondContact O-CD2 3.44Å; G24-Y26 PolarHBondContact O-N 3.36Å | ||
| 25 | Q | 42.7 | Very low | 47.8 | Very low | 162 Ų | 162 | 117 Ų | 117 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | trans | -53.4 | 106 | 155.5 | -85.2 | 171.8 | -41.5 | 0 | 0 | 106.7 | Q23 G27 | Q23-Q25 PolarHBondContact O-N 3.3Å; Q25-G27 PolarHBondContact O-N 2.92Å | ||
| 26 | Y | 38.1 | Very low | 48.9 | Very low | 237 Ų | 237 | 119.1 Ų | 119.1 | 93% | 0.929 | 69% | 0.685 | S | S | * | * | trans | -70.1 | 60.6 | 158.1 | -57.5 | -89.4 | 0 | 0 | 0 | 107.8 | G24 | G24-Y26 VanDerWaalsContact C-N 3.35Å; G24-Y26 VanDerWaalsContact O-CD2 3.27Å; G24-Y26 WeakPolarHBondContact O-CD2 3.44Å; G24-Y26 PolarHBondContact O-N 3.36Å | ||
| 27 | G | 43.2 | Very low | 49.8 | Very low | 52 Ų | 52 | 121.8 Ų | 121.8 | 54% | 0.536 | 69% | 0.689 | S | S | . | * | trans | -74.9 | 126.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | Q25 V29 | Q25-G27 PolarHBondContact O-N 2.92Å; G27-V29 PolarHBondContact O-N 3.03Å | ||
| 28 | A | 49.8 | Very low | 50.6 | Low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | -41.4 | 110.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T30 | A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å | ||
| 29 | V | 49.6 | Very low | 51.4 | Low | 126 Ų | 126 | 118.6 Ų | 118.6 | 76% | 0.764 | 67% | 0.669 | S | S | * | * | trans | -63.6 | 100 | 165.8 | -79.2 | 0 | 0 | 0 | 0 | 106.8 | G27 | G27-V29 PolarHBondContact O-N 3.03Š| ||
| 30 | T | 57 | Low | 52.2 | Low | 76 Ų | 76 | 122.5 Ų | 122.5 | 47% | 0.466 | 67% | 0.672 | S | S | . | * | trans | -73.7 | 143.7 | 175.3 | 54.8 | 0 | 0 | 0 | 0 | 108.6 | A28 A32 E33 | A28-T30 VanDerWaalsContact C-N 3.32Å; A28-T30 PolarHBondContact O-N 3.23Å; T30-A32 PolarHBondContact O-N 3.11Å; T30-E33 PolarHBondContact O-N 2.99Å | ||
| 31 | P | 56.9 | Low | 52.9 | Low | 107 Ų | 107 | 116.4 Ų | 116.4 | 70% | 0.695 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -58.8 | -15.6 | -175.7 | 21.4 | -32.9 | 0 | 0 | 0 | 114.2 | T35 | P31-T35 PolarHBondContact O-N 3.33Å; P31-T35 PolarHBondContact O-OG1 2.86Å |
| 32 | A | 59.3 | Low | 53.1 | Low | 64 Ų | 64 | 114.7 Ų | 114.7 | 53% | 0.529 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -68.8 | -36.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T30 T35 K36 | T30-A32 PolarHBondContact O-N 3.11Å; A32-T35 PolarHBondContact O-N 3.34Å; A32-K36 PolarHBondContact O-N 2.96Å |
| 33 | E | 57.6 | Low | 53.4 | Low | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.3 | -38.7 | -179.5 | -78.2 | -102 | 127.8 | 0 | 0 | 111.5 | T30 T35 K36 L37 | T30-E33 PolarHBondContact O-N 2.99Å; E33-T35 VanDerWaalsContact C-N 3.29Å; E33-T35 PolarHBondContact O-N 3.2Å; E33-K36 PolarHBondContact O-N 2.86Å; E33-L37 PolarHBondContact O-N 3.29Å |
| 34 | V | 61.5 | Low | 53.4 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 52% | 0.521 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63 | -37.5 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | K36 L37 Q38 | V34-K36 PolarHBondContact O-N 2.81Å; V34-L37 PolarHBondContact O-N 3.39Å; V34-Q38 WeakPolarHBondContact O-CB 3.27Å; V34-Q38 PolarHBondContact O-N 2.8Å |
| 35 | T | 62.7 | Low | 53.2 | Low | 81 Ų | 81 | 116.5 Ų | 116.5 | 50% | 0.497 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.7 | -39.5 | 178.8 | -58 | 0 | 0 | 0 | 0 | 112 | P31 A32 E33 Q38 Q39 | P31-T35 PolarHBondContact O-N 3.33Å; P31-T35 PolarHBondContact O-OG1 2.86Å; A32-T35 PolarHBondContact O-N 3.34Å; E33-T35 VanDerWaalsContact C-N 3.29Å; E33-T35 PolarHBondContact O-N 3.2Å; T35-Q38 PolarHBondContact O-N 3.13Å; T35-Q39 WeakPolarHBondContact O-CG 3.44Å; T35-Q39 PolarHBondContact O-N 3.44Å |
| 36 | K | 57.6 | Low | 53.1 | Low | 151 Ų | 151 | 114.8 Ų | 114.8 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.7 | -38.7 | 177.8 | -83.9 | -173.1 | 164.8 | -175.5 | 0 | 112.9 | A32 E33 V34 Q39 | A32-K36 PolarHBondContact O-N 2.96Å; E33-K36 PolarHBondContact O-N 2.86Å; V34-K36 PolarHBondContact O-N 2.81Å; K36-Q39 PolarHBondContact O-N 2.68Å |
| 37 | L | 61.8 | Low | 53.3 | Low | 127 Ų | 127 | 112.2 Ų | 112.2 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -67.7 | -37.4 | 175.1 | -69.1 | 170.6 | 0 | 0 | 0 | 111.9 | E33 V34 Q39 L40 | E33-L37 PolarHBondContact O-N 3.29Å; V34-L37 PolarHBondContact O-N 3.39Å; L37-Q39 VanDerWaalsContact C-N 3.26Å; L37-Q39 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 3.49Å |
| 38 | Q | 63.1 | Low | 53.1 | Low | 116 Ų | 116 | 113.8 Ų | 113.8 | 54% | 0.542 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -64.8 | -29.7 | 177 | -169.9 | 60.7 | 69.5 | 0 | 0 | 112.6 | V34 T35 S41 | V34-Q38 WeakPolarHBondContact O-CB 3.27Å; V34-Q38 PolarHBondContact O-N 2.8Å; T35-Q38 PolarHBondContact O-N 3.13Å; Q38-S41 PolarHBondContact O-N 2.96Å; Q38-S41 VanDerWaalsContact O-O 3.13Å |
| 39 | Q | 57.8 | Low | 52.5 | Low | 159 Ų | 159 | 114.5 Ų | 114.5 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.5 | -19 | 176.8 | -71.1 | -163.2 | -5.1 | 0 | 0 | 114.4 | T35 K36 L37 | T35-Q39 WeakPolarHBondContact O-CG 3.44Å; T35-Q39 PolarHBondContact O-N 3.44Å; K36-Q39 PolarHBondContact O-N 2.68Å; L37-Q39 VanDerWaalsContact C-N 3.26Å; L37-Q39 PolarHBondContact O-N 2.9Å |
| 40 | L | 57.3 | Low | 52.3 | Low | 157 Ų | 157 | 112.2 Ų | 112.2 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.9 | -20.5 | 172.1 | -93.4 | 91.4 | 0 | 0 | 0 | 113.1 | L37 G42 | L37-L40 PolarHBondContact O-N 3.49Å; L40-G42 PolarHBondContact O-N 2.97Å |
| 41 | S | 51.6 | Low | 51.6 | Low | 75 Ų | 75 | 113.9 Ų | 113.9 | 52% | 0.524 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -90.2 | 91.9 | 168.5 | -79.8 | 0 | 0 | 0 | 0 | 109 | Q38 H43 | Q38-S41 PolarHBondContact O-N 2.96Å; Q38-S41 VanDerWaalsContact O-O 3.13Å; S41-H43 PolarHBondContact O-N 3.02Å |
| 42 | G | 53 | Low | 50.9 | Low | 74 Ų | 74 | 114.7 Ų | 114.7 | 76% | 0.763 | 68% | 0.678 | S | S | * | * | trans | -63 | 33.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | L40 | L40-G42 PolarHBondContact O-N 2.97Š| ||
| 43 | H | 47.8 | Very low | 50.4 | Low | 159 Ų | 159 | 117.4 Ų | 117.4 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | trans | -117.1 | 84 | 170.9 | -68.2 | 86.1 | 0 | 0 | 0 | 108.6 | S41 V45 | S41-H43 PolarHBondContact O-N 3.02Å; H43-V45 PolarHBondContact O-N 3.11Å | ||
| 44 | A | 45.8 | Very low | 49.7 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 70% | 0.702 | S | S | * | * | trans | -67.7 | 95.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 45 | V | 42.8 | Very low | 48.9 | Very low | 124 Ų | 124 | 117.3 Ų | 117.3 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -88.9 | 118.9 | 153.2 | -75.8 | 0 | 0 | 0 | 0 | 106.8 | H43 F47 | H43-V45 PolarHBondContact O-N 3.11Å; V45-F47 PolarHBondContact O-N 3.15Å | ||
| 46 | P | 41.1 | Very low | 48.2 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -73.9 | 83.7 | 175.4 | 31.3 | -31.9 | 0 | 0 | 0 | 107.7 | A48 | P46-A48 PolarHBondContact O-N 3.41Š| ||
| 47 | F | 41.8 | Very low | 47.4 | Very low | 182 Ų | 182 | 118.3 Ų | 118.3 | 80% | 0.798 | 72% | 0.722 | S | S | * | * | trans | -70 | 95.3 | 153.7 | -172.5 | -95.9 | 0 | 0 | 0 | 105.5 | V45 S49 | V45-F47 PolarHBondContact O-N 3.15Å; F47-S49 PolarHBondContact O-N 3.02Å | ||
| 48 | A | 39.5 | Very low | 46.7 | Very low | 85 Ų | 85 | 119 Ų | 119 | 70% | 0.702 | 73% | 0.734 | S | S | * | * | trans | -52.4 | 108.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | P46 | P46-A48 PolarHBondContact O-N 3.41Š| ||
| 49 | S | 36.5 | Very low | 45.7 | Very low | 104 Ų | 104 | 117.8 Ų | 117.8 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -55.1 | 126.1 | 170.1 | -34.9 | 0 | 0 | 0 | 0 | 108.6 | F47 S51 | F47-S49 PolarHBondContact O-N 3.02Å; S49-S51 PolarHBondContact O-N 3.2Å | ||
| 50 | P | 46.2 | Very low | 45.3 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 51% | 0.513 | 73% | 0.728 | S | S | . | * | trans | -63.9 | 123.8 | 157.8 | 27.8 | -30.1 | 0 | 0 | 0 | 106.5 | V52 | P50-V52 VanDerWaalsContact C-N 3.31Å; P50-V52 PolarHBondContact O-N 2.78Å | ||
| 51 | S | 41.2 | Very low | 45.2 | Very low | 110 Ų | 110 | 111.5 Ų | 111.5 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -58.5 | 96.7 | 170.6 | -161.5 | 0 | 0 | 0 | 0 | 108.1 | S49 V53 | S49-S51 PolarHBondContact O-N 3.2Å; S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.96Å | ||
| 52 | V | 44.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 112 Ų | 112 | 75% | 0.752 | 71% | 0.711 | S | S | * | * | trans | -78.6 | 84 | 174.2 | -74.7 | 0 | 0 | 0 | 0 | 107.7 | P50 P54 | P50-V52 VanDerWaalsContact C-N 3.31Å; P50-V52 PolarHBondContact O-N 2.78Å; V52-P54 WeakPolarHBondContact O-CD 3.49Å | ||
| 53 | V | 47.3 | Very low | 45.8 | Very low | 122 Ų | 122 | 109.6 Ų | 109.6 | 74% | 0.739 | 68% | 0.683 | S | S | * | * | trans | -70.2 | 112.6 | 161.4 | -91.2 | 0 | 0 | 0 | 0 | 107.8 | S51 G55 | S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.96Å; V53-G55 PolarHBondContact O-N 3.09Å | ||
| 54 | P | 42.6 | Very low | 46 | Very low | 134 Ų | 134 | 106 Ų | 106 | 87% | 0.87 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76.9 | 107.4 | 179.5 | -11.8 | 29.9 | 0 | 0 | 0 | 109 | V52 | V52-P54 WeakPolarHBondContact O-CD 3.49Š|
| 55 | G | 45.8 | Very low | 46.5 | Very low | 74 Ų | 74 | 105.1 Ų | 105.1 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 143 | 46.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | V53 | V53-G55 PolarHBondContact O-N 3.09Š|
| 56 | L | 47 | Very low | 47 | Very low | 158 Ų | 158 | 103.6 Ų | 103.6 | 83% | 0.827 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -160.7 | 151.1 | 153.1 | -155.2 | 47.2 | 0 | 0 | 0 | 108.4 | ||
| 57 | D | 41.3 | Very low | 48 | Very low | 96 Ų | 96 | 98.3 Ų | 98.3 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | trans | -30.3 | 144.4 | -168.9 | 52.4 | -97.1 | 0 | 0 | 0 | 120 | S59 | D57-S59 VanDerWaalsContact C-N 3.29Å; D57-S59 PolarHBondContact O-N 3.03Å; D57-S59 VanDerWaalsContact O-N 3.11Å | ||
| 58 | P | 46.8 | Very low | 48.8 | Very low | 141 Ų | 141 | 93 Ų | 93 | 92% | 0.916 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 42.4 | 179.9 | 36.1 | -37.6 | 0 | 0 | 0 | 113.9 | ||
| 59 | S | 42.7 | Very low | 49.8 | Very low | 91 Ų | 91 | 89.4 Ų | 89.4 | 64% | 0.636 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121 | -17.5 | -166.6 | -54.9 | 0 | 0 | 0 | 0 | 117.4 | D57 | D57-S59 VanDerWaalsContact C-N 3.29Å; D57-S59 PolarHBondContact O-N 3.03Å; D57-S59 VanDerWaalsContact O-N 3.11Å |
| 60 | T | 49.4 | Very low | 50.7 | Low | 86 Ų | 86 | 85.4 Ų | 85.4 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | trans | -143.7 | 91.1 | 174.6 | 50.2 | 0 | 0 | 0 | 0 | 111 | T62 | T60-T62 PolarHBondContact O-N 2.74Å; T60-T62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | Q | 55.9 | Low | 51.3 | Low | 98 Ų | 98 | 88.5 Ų | 88.5 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 116.4 | 170.1 | -169 | 175.8 | 6.8 | 0 | 0 | 107.5 | I110 | Q61-I110 HydrophobicContact CB-CD1 3.93Å; Q61-I110 HydrophobicContact CG-CD1 4.37Å; Q61-I110 WeakPolarHBondContact O-CD1 3.47Å |
| 62 | T | 55.5 | Low | 52.3 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 114.6 | 174.2 | -62.4 | 0 | 0 | 0 | 0 | 107.2 | T60 T102 | T60-T62 PolarHBondContact O-N 2.74Å; T60-T62 VanDerWaalsContact O-N 3.12Å; T62-T102 HydrophobicContact CG2-CG2 3.97Å |
| 63 | S | 60.5 | Low | 53.3 | Low | 25 Ų | 25 | 84.3 Ų | 84.3 | 18% | 0.175 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 107.1 | 173.5 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | I103 Q114 | S63-I103 PolarHBondContact N-O 2.85Å; S63-I103 PolarHBondContact O-N 3.4Å; S63-I103 VanDerWaalsContact O-O 3.12Å; S63-Q114 PolarHBondContact OG-NE2 2.97Å; S63-Q114 VanDerWaalsContact OG-NE2 3.13Å |
| 64 | S | 53.3 | Low | 54.5 | Low | 83 Ų | 83 | 83 Ų | 83 | 58% | 0.58 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.3 | 170.1 | -67.1 | 0 | 0 | 0 | 0 | 108 | T102 | S64-T102 PolarHBondContact OG-OG1 3.36Å |
| 65 | Q | 55.5 | Low | 56.2 | Low | 81 Ų | 81 | 80.9 Ų | 80.9 | 38% | 0.379 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.6 | 177.2 | -158.6 | 169.4 | 63.2 | 0 | 0 | 109.3 | F67 V101 | Q65-F67 HydrophobicContact CG-CD2 4.43Å; Q65-V101 PolarHBondContact N-O 3Å; Q65-V101 CarbonylContact O-C 3.53Å; Q65-V101 PolarHBondContact O-N 3Å |
| 66 | E | 52.8 | Low | 58.1 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 43% | 0.43 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 130.3 | 173.7 | -168.4 | -169.8 | 80.7 | 0 | 0 | 108.8 | E98 H100 | E66-E98 HydrophobicContact CG-CB 4.47Å; E66-H100 IonicContact OE2-CE1 2.75Å; E66-H100 PolarHBondContact OE2-CE1 3.46Å; E66-H100 IonicContact OE2-NE2 3.36Å; E66-H100 PolarHBondContact OE2-NE2 2.95Å |
| 67 | F | 61.8 | Low | 59.9 | Low | 16 Ų | 16 | 73.4 Ų | 73.4 | 7% | 0.07 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 133.3 | -177.7 | -122.1 | -88.2 | 0 | 0 | 0 | 110.1 | Q65 V69 R99 V101 I117 T118 L121 | Q65-F67 HydrophobicContact CG-CD2 4.43Å; F67-V69 PolarHBondContact O-N 3.05Å; F67-R99 CarbonylContact C-O 3.59Å; F67-R99 PolarHBondContact N-O 3.44Å; F67-R99 CarbonylContact O-C 3.5Å; F67-R99 PolarHBondContact O-N 3.43Å; F67-V101 HydrophobicContact CB-CG2 4.21Å; F67-I117 HydrophobicContact CB-CG2 4.09Å; F67-I117 HydrophobicContact CD1-CB 3.8Å; F67-I117 HydrophobicContact CD1-CG2 2.97Å; F67-I117 HydrophobicContact CD2-CB 4.47Å; F67-I117 HydrophobicContact CD2-CG2 4.21Å; F67-I117 HydrophobicContact CE1-CB 3.56Å; F67-I117 HydrophobicContact CE1-CG2 3.24Å; F67-I117 VanDerWaalsContact CE1-O 3.25Å; F67-I117 WeakPolarHBondContact CE1-O 3.31Å; F67-I117 HydrophobicContact CE2-CB 4.33Å; F67-I117 HydrophobicContact CE2-CG2 4.44Å; F67-I117 HydrophobicContact CG-CB 4.22Å; F67-I117 HydrophobicContact CG-CG2 3.5Å; F67-I117 VanDerWaalsContact CG-CG2 3.5Å; F67-I117 HydrophobicContact CZ-CB 3.88Å; F67-I117 HydrophobicContact CZ-CG2 4.02Å; F67-T118 VanDerWaalsContact CE1-N 3.32Å; F67-T118 VanDerWaalsContact CZ-N 3.31Å; F67-T118 WeakPolarHBondContact CZ-OG1 3.47Å; F67-L121 HydrophobicContact CD1-CD1 3.22Å; F67-L121 HydrophobicContact CD1-CD2 4.24Å; F67-L121 HydrophobicContact CD1-CG 3.47Å; F67-L121 VanDerWaalsContact CD1-CG 3.47Å; F67-L121 HydrophobicContact CE1-CB 4.17Å; F67-L121 HydrophobicContact CE1-CD1 2.98Å; F67-L121 HydrophobicContact CE1-CD2 4.48Å; F67-L121 HydrophobicContact CE1-CG 3.3Å; F67-L121 HydrophobicContact CG-CD1 4.28Å; F67-L121 HydrophobicContact CZ-CD1 3.84Å; F67-L121 HydrophobicContact CZ-CG 4.47Å |
| 68 | L | 58.2 | Low | 62.1 | Low | 69 Ų | 69 | 72.8 Ų | 72.8 | 36% | 0.361 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 124.1 | 161.7 | -117.3 | 68.9 | 0 | 0 | 0 | 106 | A96 G97 E98 L121 | L68-A96 WeakPolarHBondContact CD1-O 3.31Å; L68-G97 WeakPolarHBondContact CA-O 3.37Å; L68-E98 HydrophobicContact CD1-CB 4.07Å; L68-E98 HydrophobicContact CD1-CG 3.11Å; L68-E98 HydrophobicContact CG-CG 4.47Å; L68-L121 HydrophobicContact CB-CD1 4.46Å; L68-L121 HydrophobicContact CB-CD2 3.08Å; L68-L121 HydrophobicContact CB-CG 4.34Å; L68-L121 HydrophobicContact CD2-CD2 4.33Å; L68-L121 HydrophobicContact CG-CD2 4.3Å; L68-L121 WeakPolarHBondContact O-CD2 3.5Å |
| 69 | V | 62 | Low | 64.1 | Low | 10 Ų | 10 | 66.2 Ų | 66.2 | 6% | 0.061 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 124.1 | 169.5 | 179.5 | 0 | 0 | 0 | 0 | 105.7 | F67 I76 G97 R99 V101 | F67-V69 PolarHBondContact O-N 3.05Å; V69-I76 HydrophobicContact CG1-CB 4.42Å; V69-G97 PolarHBondContact N-O 3.43Å; V69-R99 HydrophobicContact CB-CB 4.49Å; V69-R99 HydrophobicContact CG2-CB 4.12Å; V69-R99 PolarHBondContact O-NH1 2.97Å; V69-V101 HydrophobicContact CG2-CG2 3.96Å |
| 70 | P | 54.6 | Low | 66.4 | Low | 21 Ų | 21 | 67.7 Ų | 67.7 | 14% | 0.136 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 145.7 | 171.9 | -21.1 | 32.4 | 0 | 0 | 0 | 108.6 | D72 A124 | P70-D72 CarbonylContact O-C 3.56Å; P70-D72 PolarHBondContact O-N 3.15Å; P70-A124 HydrophobicContact CB-CB 3.6Å; P70-A124 HydrophobicContact CG-CB 3.34Å |
| 71 | N | 58.8 | Low | 68.3 | Low | 143 Ų | 143 | 71.5 Ų | 71.5 | 77% | 0.765 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -55.6 | -14.8 | -176.3 | -97.8 | -31.9 | 0 | 0 | 0 | 113.7 | G73 R99 | N71-G73 PolarHBondContact O-N 3.41Å; N71-R99 PolarHBondContact OD1-NH2 3.47Å |
| 72 | D | 61.9 | Low | 69.9 | Low | 102 Ų | 102 | 72.1 Ų | 72.1 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | trans | -73.4 | 83.2 | 169.8 | -47.3 | -78.2 | 0 | 0 | 0 | 112.1 | P70 S74 K75 | P70-D72 CarbonylContact O-C 3.56Å; P70-D72 PolarHBondContact O-N 3.15Å; D72-S74 PolarHBondContact O-N 3.35Å; D72-K75 PolarHBondContact O-N 3.23Å | ||
| 73 | G | 65.5 | Low | 71.6 | Confident | 45 Ų | 45 | 68.5 Ų | 68.5 | 46% | 0.464 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.9 | -6.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N71 I76 S77 | N71-G73 PolarHBondContact O-N 3.41Å; G73-I76 WeakPolarHBondContact O-CG2 3.15Å; G73-S77 PolarHBondContact O-OG 2.84Å |
| 74 | S | 72.1 | Confident | 72.9 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 65% | 0.65 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 168.2 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | D72 I76 S77 E78 | D72-S74 PolarHBondContact O-N 3.35Å; S74-I76 PolarHBondContact O-N 3.37Å; S74-S77 WeakPolarHBondContact O-CB 3.38Å; S74-S77 PolarHBondContact O-N 3.02Å; S74-E78 PolarHBondContact O-N 2.92Å; S74-E78 VanDerWaalsContact O-N 3.17Å |
| 75 | K | 79.4 | Confident | 74.6 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 39% | 0.391 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.7 | -38.2 | -175.4 | -79.2 | -74.6 | 165 | -162.1 | 0 | 112.5 | D72 S77 E78 I79 | D72-K75 PolarHBondContact O-N 3.23Å; K75-S77 VanDerWaalsContact C-N 3.25Å; K75-S77 PolarHBondContact O-N 2.64Å; K75-E78 IonicContact NZ-OE2 3.36Å; K75-E78 PolarHBondContact NZ-OE2 2.9Å; K75-E78 WeakPolarHBondContact O-CB 3.43Å; K75-E78 PolarHBondContact O-N 2.86Å; K75-I79 WeakPolarHBondContact O-CG1 3.48Å; K75-I79 PolarHBondContact O-N 3.48Å |
| 76 | I | 84.3 | Confident | 76.1 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.2 | -28.7 | 177.6 | -156.7 | 63.4 | 0 | 0 | 0 | 112.4 | V69 G73 S74 I79 R80 I87 I89 I117 | V69-I76 HydrophobicContact CG1-CB 4.42Å; G73-I76 WeakPolarHBondContact O-CG2 3.15Å; S74-I76 PolarHBondContact O-N 3.37Å; I76-I79 HydrophobicContact CD1-CD1 4.19Å; I76-R80 PolarHBondContact O-N 3.44Å; I76-I87 HydrophobicContact CD1-CG2 4.22Å; I76-I87 HydrophobicContact CG1-CG2 4.15Å; I76-I89 HydrophobicContact CB-CD1 4.36Å; I76-I89 HydrophobicContact CG1-CD1 3.95Å; I76-I89 HydrophobicContact CG1-CG1 4.27Å; I76-I89 HydrophobicContact CG2-CD1 3.58Å; I76-I117 HydrophobicContact CD1-CG1 4.24Å |
| 77 | S | 86.4 | Confident | 77.7 | Confident | 69 Ų | 69 | 65.5 Ų | 65.5 | 48% | 0.483 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 173.9 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | G73 S74 K75 R80 Q81 | G73-S77 PolarHBondContact O-OG 2.84Å; S74-S77 WeakPolarHBondContact O-CB 3.38Å; S74-S77 PolarHBondContact O-N 3.02Å; K75-S77 VanDerWaalsContact C-N 3.25Å; K75-S77 PolarHBondContact O-N 2.64Å; S77-R80 WeakPolarHBondContact O-CB 3.11Å; S77-R80 PolarHBondContact O-N 3.2Å; S77-Q81 PolarHBondContact O-N 3.01Å; S77-Q81 VanDerWaalsContact O-N 3.15Å |
| 78 | E | 87.9 | Confident | 78.8 | Confident | 82 Ų | 82 | 72 Ų | 72 | 38% | 0.383 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.5 | -177.4 | 175.6 | -163.6 | 0 | 0 | 111.5 | S74 K75 R80 Q81 M82 | S74-E78 PolarHBondContact O-N 2.92Å; S74-E78 VanDerWaalsContact O-N 3.17Å; K75-E78 IonicContact NZ-OE2 3.36Å; K75-E78 PolarHBondContact NZ-OE2 2.9Å; K75-E78 WeakPolarHBondContact O-CB 3.43Å; K75-E78 PolarHBondContact O-N 2.86Å; E78-R80 VanDerWaalsContact C-N 3.3Å; E78-R80 PolarHBondContact O-N 3.4Å; E78-Q81 CarbonylContact O-C 3.58Å; E78-Q81 WeakPolarHBondContact O-CA 3.34Å; E78-Q81 WeakPolarHBondContact O-CB 3.43Å; E78-Q81 PolarHBondContact O-N 3.12Å; E78-M82 HydrophobicContact CG-CG 4.19Å; E78-M82 HydrophobicContact CG-SD 3.73Å; E78-M82 WeakPolarHBondContact O-CG 3.47Å; E78-M82 PolarHBondContact O-N 3.05Å |
| 79 | I | 88.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.7 | -41 | 177.6 | -64.2 | 167.6 | 0 | 0 | 0 | 111.3 | K75 I76 Q81 M82 S83 I87 A113 L116 I117 C120 | K75-I79 WeakPolarHBondContact O-CG1 3.48Å; K75-I79 PolarHBondContact O-N 3.48Å; I76-I79 HydrophobicContact CD1-CD1 4.19Å; I79-Q81 VanDerWaalsContact C-N 3.28Å; I79-Q81 PolarHBondContact O-N 2.91Å; I79-M82 PolarHBondContact O-N 2.82Å; I79-S83 VanDerWaalsContact O-CB 3.24Å; I79-S83 WeakPolarHBondContact O-CB 3.42Å; I79-S83 PolarHBondContact O-N 3.05Å; I79-S83 PolarHBondContact O-OG 2.93Å; I79-I87 HydrophobicContact CB-CD1 4.39Å; I79-I87 HydrophobicContact CG2-CD1 3.8Å; I79-A113 HydrophobicContact CG2-CB 4.36Å; I79-L116 HydrophobicContact CB-CB 4.5Å; I79-L116 HydrophobicContact CD1-CB 4.31Å; I79-L116 HydrophobicContact CG1-CB 3.88Å; I79-L116 HydrophobicContact CG2-CB 3.99Å; I79-L116 HydrophobicContact CG2-CD1 4.24Å; I79-I117 HydrophobicContact CD1-CB 4.19Å; I79-I117 HydrophobicContact CD1-CG1 3.73Å; I79-I117 HydrophobicContact CD1-CG2 4.45Å; I79-I117 HydrophobicContact CG2-CG1 3.92Å; I79-C120 HydrophobicContact CD1-CB 4.45Å |
| 80 | R | 90 | Very high | 80.6 | Confident | 121 Ų | 121 | 73.3 Ų | 73.3 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 174.7 | -170.8 | -170.3 | -60.4 | -153.9 | -0.7 | 111.2 | I76 S77 E78 G84 I87 | I76-R80 PolarHBondContact O-N 3.44Å; S77-R80 WeakPolarHBondContact O-CB 3.11Å; S77-R80 PolarHBondContact O-N 3.2Å; E78-R80 VanDerWaalsContact C-N 3.3Å; E78-R80 PolarHBondContact O-N 3.4Å; R80-G84 PolarHBondContact O-N 2.9Å; R80-G84 VanDerWaalsContact O-N 3.13Å; R80-I87 HydrophobicContact CB-CD1 4.02Å; R80-I87 HydrophobicContact CB-CG1 4.43Å; R80-I87 HydrophobicContact CG-CG1 4.45Å; R80-I87 PolarHBondContact NH2-O 3.32Å |
| 81 | Q | 89.9 | Confident | 80.9 | Confident | 167 Ų | 167 | 79.4 Ų | 79.4 | 78% | 0.78 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.4 | -43.5 | 178.8 | -174.4 | 178 | 0.9 | 0 | 0 | 112.5 | S77 E78 I79 | S77-Q81 PolarHBondContact O-N 3.01Å; S77-Q81 VanDerWaalsContact O-N 3.15Å; E78-Q81 CarbonylContact O-C 3.58Å; E78-Q81 WeakPolarHBondContact O-CA 3.34Å; E78-Q81 WeakPolarHBondContact O-CB 3.43Å; E78-Q81 PolarHBondContact O-N 3.12Å; I79-Q81 VanDerWaalsContact C-N 3.28Å; I79-Q81 PolarHBondContact O-N 2.91Å |
| 82 | M | 90.3 | Very high | 80.9 | Confident | 111 Ų | 111 | 76.6 Ų | 76.6 | 55% | 0.547 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.5 | -42.5 | -177.8 | -69.2 | 177.8 | 74.6 | 0 | 0 | 112.7 | E78 I79 L116 | E78-M82 HydrophobicContact CG-CG 4.19Å; E78-M82 HydrophobicContact CG-SD 3.73Å; E78-M82 WeakPolarHBondContact O-CG 3.47Å; E78-M82 PolarHBondContact O-N 3.05Å; I79-M82 PolarHBondContact O-N 2.82Å; M82-L116 HydrophobicContact CB-CD1 3.66Å; M82-L116 HydrophobicContact CE-CD1 4.26Å; M82-L116 HydrophobicContact CE-CD2 3.92Å; M82-L116 HydrophobicContact SD-CD1 4.19Å; M82-L116 HydrophobicContact SD-CD2 4.39Å |
| 83 | S | 89.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 74 Ų | 74 | 6% | 0.056 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -78.9 | -24.6 | -178.9 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | I79 A85 S109 | I79-S83 VanDerWaalsContact O-CB 3.24Å; I79-S83 WeakPolarHBondContact O-CB 3.42Å; I79-S83 PolarHBondContact O-N 3.05Å; I79-S83 PolarHBondContact O-OG 2.93Å; S83-A85 PolarHBondContact O-N 3.14Å; S83-A85 PolarHBondContact OG-N 2.85Å; S83-S109 WeakPolarHBondContact O-CA 3.47Å; S83-S109 WeakPolarHBondContact O-CB 3.46Å |
| 84 | G | 88.1 | Confident | 79.6 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 61% | 0.608 | 43% | 0.431 | S | S | * | . | trans | 65.7 | 10.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R80 | R80-G84 PolarHBondContact O-N 2.9Å; R80-G84 VanDerWaalsContact O-N 3.13Å | ||
| 85 | A | 88.6 | Confident | 78.6 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 3% | 0.025 | 44% | 0.44 | C | S | . | . | trans | -87.5 | 152.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S83 I87 I103 A113 | S83-A85 PolarHBondContact O-N 3.14Å; S83-A85 PolarHBondContact OG-N 2.85Å; A85-I87 PolarHBondContact O-N 2.96Å; A85-I103 HydrophobicContact CB-CG2 3.58Å; A85-A113 HydrophobicContact CB-CB 4.3Å | ||
| 86 | H | 87.1 | Confident | 77.2 | Confident | 149 Ų | 149 | 79.1 Ų | 79.1 | 69% | 0.69 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 110.4 | 170.1 | -82.5 | -101.9 | 0 | 0 | 0 | 109.9 | I103 T104 | H86-I103 CarbonylContact O-C 3.57Å; H86-I103 WeakPolarHBondContact O-CA 3.48Å; H86-T104 WeakPolarHBondContact CA-O 3.35Å; H86-T104 WeakPolarHBondContact CB-O 3.46Å; H86-T104 PolarHBondContact N-O 3.48Å; H86-T104 PolarHBondContact O-N 2.97Å |
| 87 | I | 87.8 | Confident | 76 | Confident | 6 Ų | 6 | 80 Ų | 80 | 3% | 0.031 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.9 | -178.8 | -55 | -178.9 | 0 | 0 | 0 | 109.9 | I76 I79 R80 A85 V101 T102 I103 | I76-I87 HydrophobicContact CD1-CG2 4.22Å; I76-I87 HydrophobicContact CG1-CG2 4.15Å; I79-I87 HydrophobicContact CB-CD1 4.39Å; I79-I87 HydrophobicContact CG2-CD1 3.8Å; R80-I87 HydrophobicContact CB-CD1 4.02Å; R80-I87 HydrophobicContact CB-CG1 4.43Å; R80-I87 HydrophobicContact CG-CG1 4.45Å; R80-I87 PolarHBondContact NH2-O 3.32Å; A85-I87 PolarHBondContact O-N 2.96Å; I87-V101 HydrophobicContact CG2-CG1 3.39Å; I87-T102 CarbonylContact C-O 3.57Å; I87-T102 WeakPolarHBondContact CA-O 3.44Å; I87-I103 HydrophobicContact CG1-CG2 4.45Å |
| 88 | K | 85.4 | Confident | 75 | Confident | 154 Ų | 154 | 80.3 Ų | 80.3 | 67% | 0.67 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 124.6 | 173.7 | -165.6 | 172 | 74.9 | 173.2 | 0 | 109.6 | T102 | K88-T102 PolarHBondContact N-O 3.17Å; K88-T102 PolarHBondContact O-N 3.2Å |
| 89 | I | 83.7 | Confident | 74.4 | Confident | 72 Ų | 72 | 78.4 Ų | 78.4 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.8 | -178.6 | -55.2 | 159.1 | 0 | 0 | 0 | 107.6 | I76 R99 | I76-I89 HydrophobicContact CB-CD1 4.36Å; I76-I89 HydrophobicContact CG1-CD1 3.95Å; I76-I89 HydrophobicContact CG1-CG1 4.27Å; I76-I89 HydrophobicContact CG2-CD1 3.58Å; I89-R99 HydrophobicContact CG2-CB 4.27Å |
| 90 | G | 73.1 | Confident | 73.7 | Confident | 33 Ų | 33 | 82.3 Ų | 82.3 | 34% | 0.34 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 172.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H100 | G90-H100 WeakPolarHBondContact CA-O 3.24Å; G90-H100 PolarHBondContact N-O 3.26Å |
| 91 | N | 62 | Low | 73.1 | Confident | 150 Ų | 150 | 76.7 Ų | 76.7 | 80% | 0.802 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 142.3 | -178.1 | -165.7 | 45.3 | 0 | 0 | 0 | 111.5 | A93 | N91-A93 PolarHBondContact O-N 3.36Å |
| 92 | Q | 57.9 | Low | 72.9 | Confident | 84 Ų | 84 | 70.5 Ų | 70.5 | 39% | 0.393 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 123 | 176.6 | -175.5 | -179.3 | 12.3 | 0 | 0 | 108.9 | E94 R99 | Q92-E94 PolarHBondContact O-N 2.75Å; Q92-R99 HydrophobicContact CB-CG 4.34Å; Q92-R99 HydrophobicContact CG-CG 4.39Å |
| 93 | A | 51.6 | Low | 72.8 | Confident | 47 Ų | 47 | 65.3 Ų | 65.3 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 123 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | N91 G95 E98 | N91-A93 PolarHBondContact O-N 3.36Å; A93-G95 PolarHBondContact O-N 3.16Å; A93-E98 PolarHBondContact N-O 2.82Å |
| 94 | E | 47.6 | Very low | 72.6 | Confident | 199 Ų | 199 | 66.8 Ų | 66.8 | 93% | 0.93 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 122.4 | -171.6 | -68.7 | -146.9 | 127.3 | 0 | 0 | 111.5 | Q92 | Q92-E94 PolarHBondContact O-N 2.75Š|
| 95 | G | 51.8 | Low | 72.5 | Confident | 81 Ų | 81 | 64.8 Ų | 64.8 | 84% | 0.835 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 137.2 | -29.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | A93 | A93-G95 PolarHBondContact O-N 3.16Š|
| 96 | A | 51.2 | Low | 72.5 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 46% | 0.455 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -144.2 | 37.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L68 E98 | L68-A96 WeakPolarHBondContact CD1-O 3.31Å; A96-E98 PolarHBondContact O-N 3.17Å |
| 97 | G | 57.5 | Low | 72.4 | Confident | 27 Ų | 27 | 64.5 Ų | 64.5 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | S | Bend | trans | 62.2 | 1.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | L68 V69 | L68-G97 WeakPolarHBondContact CA-O 3.37Å; V69-G97 PolarHBondContact N-O 3.43Å |
| 98 | E | 66.9 | Low | 72.4 | Confident | 75 Ų | 75 | 69.2 Ų | 69.2 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 120.5 | 179.8 | -69.3 | 169.8 | 177.8 | 0 | 0 | 109.6 | E66 L68 A93 A96 | E66-E98 HydrophobicContact CG-CB 4.47Å; L68-E98 HydrophobicContact CD1-CB 4.07Å; L68-E98 HydrophobicContact CD1-CG 3.11Å; L68-E98 HydrophobicContact CG-CG 4.47Å; A93-E98 PolarHBondContact N-O 2.82Å; A96-E98 PolarHBondContact O-N 3.17Å |
| 99 | R | 74.4 | Confident | 72.7 | Confident | 42 Ų | 42 | 62.4 Ų | 62.4 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.7 | 174.7 | -62 | -168.9 | -179.8 | 93 | -2.9 | 108.6 | F67 V69 N71 I89 Q92 V101 | F67-R99 CarbonylContact C-O 3.59Å; F67-R99 PolarHBondContact N-O 3.44Å; F67-R99 CarbonylContact O-C 3.5Å; F67-R99 PolarHBondContact O-N 3.43Å; V69-R99 HydrophobicContact CB-CB 4.49Å; V69-R99 HydrophobicContact CG2-CB 4.12Å; V69-R99 PolarHBondContact O-NH1 2.97Å; N71-R99 PolarHBondContact OD1-NH2 3.47Å; I89-R99 HydrophobicContact CG2-CB 4.27Å; Q92-R99 HydrophobicContact CB-CG 4.34Å; Q92-R99 HydrophobicContact CG-CG 4.39Å; R99-V101 PolarHBondContact O-N 3.49Å |
| 100 | H | 73.3 | Confident | 72.9 | Confident | 86 Ų | 86 | 59.3 Ų | 59.3 | 40% | 0.398 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.2 | 174.7 | -70.5 | 75.7 | 0 | 0 | 0 | 109 | E66 G90 | E66-H100 IonicContact OE2-CE1 2.75Å; E66-H100 PolarHBondContact OE2-CE1 3.46Å; E66-H100 IonicContact OE2-NE2 3.36Å; E66-H100 PolarHBondContact OE2-NE2 2.95Å; G90-H100 WeakPolarHBondContact CA-O 3.24Å; G90-H100 PolarHBondContact N-O 3.26Å |
| 101 | V | 78.7 | Confident | 73.6 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.7 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | Q65 F67 V69 I87 R99 I103 | Q65-V101 PolarHBondContact N-O 3Å; Q65-V101 CarbonylContact O-C 3.53Å; Q65-V101 PolarHBondContact O-N 3Å; F67-V101 HydrophobicContact CB-CG2 4.21Å; V69-V101 HydrophobicContact CG2-CG2 3.96Å; I87-V101 HydrophobicContact CG2-CG1 3.39Å; R99-V101 PolarHBondContact O-N 3.49Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å |
| 102 | T | 84.7 | Confident | 75 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.1 | 172.8 | -56.8 | 0 | 0 | 0 | 0 | 109.1 | T62 S64 I87 K88 | T62-T102 HydrophobicContact CG2-CG2 3.97Å; S64-T102 PolarHBondContact OG-OG1 3.36Å; I87-T102 CarbonylContact C-O 3.57Å; I87-T102 WeakPolarHBondContact CA-O 3.44Å; K88-T102 PolarHBondContact N-O 3.17Å; K88-T102 PolarHBondContact O-N 3.2Å |
| 103 | I | 87.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.4 | 178.6 | -49.3 | 171.5 | 0 | 0 | 0 | 108.3 | S63 A85 H86 I87 V101 I110 A113 Q114 I117 | S63-I103 PolarHBondContact N-O 2.85Å; S63-I103 PolarHBondContact O-N 3.4Å; S63-I103 VanDerWaalsContact O-O 3.12Å; A85-I103 HydrophobicContact CB-CG2 3.58Å; H86-I103 CarbonylContact O-C 3.57Å; H86-I103 WeakPolarHBondContact O-CA 3.48Å; I87-I103 HydrophobicContact CG1-CG2 4.45Å; V101-I103 HydrophobicContact CG1-CG1 4.03Å; I103-I110 HydrophobicContact CG2-CG1 4.1Å; I103-I110 HydrophobicContact CG2-CG2 4.47Å; I103-A113 HydrophobicContact CD1-CB 3.93Å; I103-A113 HydrophobicContact CG2-CB 3.96Å; I103-Q114 HydrophobicContact CD1-CG 4.29Å; I103-I117 HydrophobicContact CD1-CD1 3.6Å |
| 104 | T | 86.6 | Confident | 78.2 | Confident | 39 Ų | 39 | 53.6 Ų | 53.6 | 24% | 0.239 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 133.3 | 178.5 | -53 | 0 | 0 | 0 | 0 | 109.1 | H86 | H86-T104 WeakPolarHBondContact CA-O 3.35Å; H86-T104 WeakPolarHBondContact CB-O 3.46Å; H86-T104 PolarHBondContact N-O 3.48Å; H86-T104 PolarHBondContact O-N 2.97Å |
| 105 | G | 85.8 | Confident | 80.2 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 19% | 0.186 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.3 | -160.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I110 | G105-I110 WeakPolarHBondContact O-CD1 3.39Å |
| 106 | S | 89.1 | Confident | 82 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 44% | 0.441 | 29% | 0.285 | S | S | . | . | trans | -72.1 | 153.3 | 169 | 72.5 | 0 | 0 | 0 | 0 | 110.5 | V108 S109 I110 | S106-V108 PolarHBondContact O-N 3.04Å; S106-V108 VanDerWaalsContact O-N 3.15Å; S106-S109 PolarHBondContact N-OG 3.4Å; S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 PolarHBondContact O-OG 3.46Å; S106-S109 WeakPolarHBondContact OG-CB 3.34Å; S106-S109 PolarHBondContact OG-N 3.35Å; S106-S109 PolarHBondContact OG-OG 2.79Å; S106-I110 WeakPolarHBondContact O-CG1 3.16Å; S106-I110 PolarHBondContact O-N 3.37Å | ||
| 107 | P | 84.4 | Confident | 83.6 | Confident | 82 Ų | 82 | 47 Ų | 47 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.8 | -37 | 179.3 | -26.3 | 34.3 | 0 | 0 | 0 | 113.2 | I110 A111 | P107-I110 PolarHBondContact O-N 3.49Å; P107-A111 WeakPolarHBondContact O-CB 3.18Å; P107-A111 PolarHBondContact O-N 3.25Å |
| 108 | V | 88.1 | Confident | 84.9 | Confident | 106 Ų | 106 | 49 Ų | 49 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -65 | -47.3 | 176.5 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | S106 I110 A111 L112 | S106-V108 PolarHBondContact O-N 3.04Å; S106-V108 VanDerWaalsContact O-N 3.15Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.03Å; V108-A111 PolarHBondContact O-N 3.13Å; V108-L112 PolarHBondContact O-N 3.24Å; V108-L112 VanDerWaalsContact O-N 3.11Å |
| 109 | S | 89.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 47.2 Ų | 47.2 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 178.5 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | S83 S106 A113 | S83-S109 WeakPolarHBondContact O-CA 3.47Å; S83-S109 WeakPolarHBondContact O-CB 3.46Å; S106-S109 PolarHBondContact N-OG 3.4Å; S106-S109 PolarHBondContact O-N 2.94Å; S106-S109 PolarHBondContact O-OG 3.46Å; S106-S109 WeakPolarHBondContact OG-CB 3.34Å; S106-S109 PolarHBondContact OG-N 3.35Å; S106-S109 PolarHBondContact OG-OG 2.79Å; S109-A113 WeakPolarHBondContact O-CB 3.39Å; S109-A113 PolarHBondContact O-N 2.96Å |
| 110 | I | 87.9 | Confident | 85.9 | Confident | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -47 | 178.4 | -65 | 163.4 | 0 | 0 | 0 | 110.6 | Q61 I103 G105 S106 P107 V108 L112 A113 Q114 | Q61-I110 HydrophobicContact CB-CD1 3.93Å; Q61-I110 HydrophobicContact CG-CD1 4.37Å; Q61-I110 WeakPolarHBondContact O-CD1 3.47Å; I103-I110 HydrophobicContact CG2-CG1 4.1Å; I103-I110 HydrophobicContact CG2-CG2 4.47Å; G105-I110 WeakPolarHBondContact O-CD1 3.39Å; S106-I110 WeakPolarHBondContact O-CG1 3.16Å; S106-I110 PolarHBondContact O-N 3.37Å; P107-I110 PolarHBondContact O-N 3.49Å; V108-I110 VanDerWaalsContact C-N 3.32Å; V108-I110 PolarHBondContact O-N 3.03Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.42Å; I110-A113 WeakPolarHBondContact O-CB 3.46Å; I110-A113 PolarHBondContact O-N 3.33Å; I110-Q114 HydrophobicContact CG2-CG 4.42Å; I110-Q114 WeakPolarHBondContact O-CG 3.22Å; I110-Q114 PolarHBondContact O-N 2.82Å |
| 111 | A | 89.7 | Confident | 86 | Confident | 53 Ų | 53 | 44.4 Ų | 44.4 | 44% | 0.438 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P107 V108 Q114 Y115 | P107-A111 WeakPolarHBondContact O-CB 3.18Å; P107-A111 PolarHBondContact O-N 3.25Å; V108-A111 PolarHBondContact O-N 3.13Å; A111-Q114 PolarHBondContact O-N 2.9Å; A111-Y115 PolarHBondContact O-N 3.3Å |
| 112 | L | 90.8 | Very high | 85.7 | Confident | 87 Ų | 87 | 51.2 Ų | 51.2 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 174.9 | -71.5 | -170.2 | 0 | 0 | 0 | 112.4 | V108 I110 Q114 Y115 L116 | V108-L112 PolarHBondContact O-N 3.24Å; V108-L112 VanDerWaalsContact O-N 3.11Å; I110-L112 VanDerWaalsContact C-N 3.31Å; I110-L112 PolarHBondContact O-N 3.42Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; L112-Q114 PolarHBondContact O-N 2.72Å; L112-Y115 PolarHBondContact O-N 3.26Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 2.87Å; L112-L116 PolarHBondContact O-N 3.1Å |
| 113 | A | 89.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -57.5 | -50.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | I79 A85 I103 S109 I110 Y115 L116 I117 | I79-A113 HydrophobicContact CG2-CB 4.36Å; A85-A113 HydrophobicContact CB-CB 4.3Å; I103-A113 HydrophobicContact CD1-CB 3.93Å; I103-A113 HydrophobicContact CG2-CB 3.96Å; S109-A113 WeakPolarHBondContact O-CB 3.39Å; S109-A113 PolarHBondContact O-N 2.96Å; I110-A113 WeakPolarHBondContact O-CB 3.46Å; I110-A113 PolarHBondContact O-N 3.33Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 3.04Å; A113-L116 PolarHBondContact O-N 3.47Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.5Å |
| 114 | Q | 87.4 | Confident | 83.7 | Confident | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -55.9 | -46 | 178 | -72.5 | 172.4 | -12.3 | 0 | 0 | 112.5 | S63 I103 I110 A111 L112 L116 I117 T118 | S63-Q114 PolarHBondContact OG-NE2 2.97Å; S63-Q114 VanDerWaalsContact OG-NE2 3.13Å; I103-Q114 HydrophobicContact CD1-CG 4.29Å; I110-Q114 HydrophobicContact CG2-CG 4.42Å; I110-Q114 WeakPolarHBondContact O-CG 3.22Å; I110-Q114 PolarHBondContact O-N 2.82Å; A111-Q114 PolarHBondContact O-N 2.9Å; L112-Q114 VanDerWaalsContact C-N 3.35Å; L112-Q114 PolarHBondContact O-N 2.72Å; Q114-L116 PolarHBondContact O-N 3.23Å; Q114-I117 PolarHBondContact O-N 3.42Å; Q114-T118 PolarHBondContact O-N 3.21Å; Q114-T118 PolarHBondContact O-OG1 3.33Å |
| 115 | Y | 89.3 | Confident | 82.3 | Confident | 162 Ų | 162 | 61.2 Ų | 61.2 | 64% | 0.635 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.8 | -49.3 | 177.3 | 174.1 | -103.7 | 0 | 0 | 0 | 111.9 | A111 L112 A113 I117 T118 A119 | A111-Y115 PolarHBondContact O-N 3.3Å; L112-Y115 PolarHBondContact O-N 3.26Å; A113-Y115 VanDerWaalsContact C-N 3.33Å; A113-Y115 PolarHBondContact O-N 3.04Å; Y115-I117 PolarHBondContact O-N 3.19Å; Y115-T118 WeakPolarHBondContact O-CB 3.43Å; Y115-T118 PolarHBondContact O-N 3.38Å; Y115-A119 PolarHBondContact O-N 3Å |
| 116 | L | 88.6 | Confident | 80.6 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -37.9 | -177.4 | -67.3 | 169.9 | 0 | 0 | 0 | 112.7 | I79 M82 L112 A113 Q114 T118 A119 C120 | I79-L116 HydrophobicContact CB-CB 4.5Å; I79-L116 HydrophobicContact CD1-CB 4.31Å; I79-L116 HydrophobicContact CG1-CB 3.88Å; I79-L116 HydrophobicContact CG2-CB 3.99Å; I79-L116 HydrophobicContact CG2-CD1 4.24Å; M82-L116 HydrophobicContact CB-CD1 3.66Å; M82-L116 HydrophobicContact CE-CD1 4.26Å; M82-L116 HydrophobicContact CE-CD2 3.92Å; M82-L116 HydrophobicContact SD-CD1 4.19Å; M82-L116 HydrophobicContact SD-CD2 4.39Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 2.87Å; L112-L116 PolarHBondContact O-N 3.1Å; A113-L116 PolarHBondContact O-N 3.47Å; Q114-L116 PolarHBondContact O-N 3.23Å; L116-T118 VanDerWaalsContact C-N 3.33Å; L116-A119 PolarHBondContact O-N 2.96Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 2.92Å; L116-C120 PolarHBondContact O-SG 3.39Å |
| 117 | I | 84.9 | Confident | 78.8 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 177.1 | -47.8 | 156.8 | 0 | 0 | 0 | 109.1 | F67 I76 I79 I103 A113 Q114 Y115 A119 C120 L121 | F67-I117 HydrophobicContact CB-CG2 4.09Å; F67-I117 HydrophobicContact CD1-CB 3.8Å; F67-I117 HydrophobicContact CD1-CG2 2.97Å; F67-I117 HydrophobicContact CD2-CB 4.47Å; F67-I117 HydrophobicContact CD2-CG2 4.21Å; F67-I117 HydrophobicContact CE1-CB 3.56Å; F67-I117 HydrophobicContact CE1-CG2 3.24Å; F67-I117 VanDerWaalsContact CE1-O 3.25Å; F67-I117 WeakPolarHBondContact CE1-O 3.31Å; F67-I117 HydrophobicContact CE2-CB 4.33Å; F67-I117 HydrophobicContact CE2-CG2 4.44Å; F67-I117 HydrophobicContact CG-CB 4.22Å; F67-I117 HydrophobicContact CG-CG2 3.5Å; F67-I117 VanDerWaalsContact CG-CG2 3.5Å; F67-I117 HydrophobicContact CZ-CB 3.88Å; F67-I117 HydrophobicContact CZ-CG2 4.02Å; I76-I117 HydrophobicContact CD1-CG1 4.24Å; I79-I117 HydrophobicContact CD1-CB 4.19Å; I79-I117 HydrophobicContact CD1-CG1 3.73Å; I79-I117 HydrophobicContact CD1-CG2 4.45Å; I79-I117 HydrophobicContact CG2-CG1 3.92Å; I103-I117 HydrophobicContact CD1-CD1 3.6Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.5Å; Q114-I117 PolarHBondContact O-N 3.42Å; Y115-I117 PolarHBondContact O-N 3.19Å; I117-A119 PolarHBondContact O-N 3.5Å; I117-C120 PolarHBondContact O-N 3.03Å; I117-L121 PolarHBondContact O-N 3.36Å |
| 118 | T | 85.2 | Confident | 77 | Confident | 68 Ų | 68 | 69 Ų | 69 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 175.8 | -50.6 | 0 | 0 | 0 | 0 | 111.8 | F67 Q114 Y115 L116 C120 L121 E122 | F67-T118 VanDerWaalsContact CE1-N 3.32Å; F67-T118 VanDerWaalsContact CZ-N 3.31Å; F67-T118 WeakPolarHBondContact CZ-OG1 3.47Å; Q114-T118 PolarHBondContact O-N 3.21Å; Q114-T118 PolarHBondContact O-OG1 3.33Å; Y115-T118 WeakPolarHBondContact O-CB 3.43Å; Y115-T118 PolarHBondContact O-N 3.38Å; L116-T118 VanDerWaalsContact C-N 3.33Å; T118-C120 VanDerWaalsContact C-N 3.31Å; T118-C120 PolarHBondContact O-N 2.84Å; T118-L121 VanDerWaalsContact O-CB 3.31Å; T118-L121 WeakPolarHBondContact O-CB 3.19Å; T118-L121 PolarHBondContact O-N 3.36Å; T118-E122 PolarHBondContact O-N 3.46Å; T118-E122 VanDerWaalsContact O-N 3.1Å |
| 119 | A | 83.5 | Confident | 74.8 | Confident | 37 Ų | 37 | 66.9 Ų | 66.9 | 31% | 0.306 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y115 L116 I117 E122 T123 | Y115-A119 PolarHBondContact O-N 3Å; L116-A119 PolarHBondContact O-N 2.96Å; I117-A119 PolarHBondContact O-N 3.5Å; A119-E122 PolarHBondContact O-N 3.22Å; A119-T123 PolarHBondContact O-N 3.22Å; A119-T123 PolarHBondContact O-OG1 3.36Å |
| 120 | C | 79.3 | Confident | 72.4 | Confident | 25 Ų | 25 | 69.7 Ų | 69.7 | 17% | 0.169 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 176.2 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | I79 L116 I117 T118 T123 A124 | I79-C120 HydrophobicContact CD1-CB 4.45Å; L116-C120 WeakPolarHBondContact O-CB 3.46Å; L116-C120 PolarHBondContact O-N 2.92Å; L116-C120 PolarHBondContact O-SG 3.39Å; I117-C120 PolarHBondContact O-N 3.03Å; T118-C120 VanDerWaalsContact C-N 3.31Å; T118-C120 PolarHBondContact O-N 2.84Å; C120-T123 PolarHBondContact O-N 3.18Å; C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 3.07Å |
| 121 | L | 75.3 | Confident | 69.9 | Low | 44 Ų | 44 | 75.6 Ų | 75.6 | 23% | 0.23 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 173.8 | -89.4 | -170.3 | 0 | 0 | 0 | 113.3 | F67 L68 I117 T118 T123 A124 K125 | F67-L121 HydrophobicContact CD1-CD1 3.22Å; F67-L121 HydrophobicContact CD1-CD2 4.24Å; F67-L121 HydrophobicContact CD1-CG 3.47Å; F67-L121 VanDerWaalsContact CD1-CG 3.47Å; F67-L121 HydrophobicContact CE1-CB 4.17Å; F67-L121 HydrophobicContact CE1-CD1 2.98Å; F67-L121 HydrophobicContact CE1-CD2 4.48Å; F67-L121 HydrophobicContact CE1-CG 3.3Å; F67-L121 HydrophobicContact CG-CD1 4.28Å; F67-L121 HydrophobicContact CZ-CD1 3.84Å; F67-L121 HydrophobicContact CZ-CG 4.47Å; L68-L121 HydrophobicContact CB-CD1 4.46Å; L68-L121 HydrophobicContact CB-CD2 3.08Å; L68-L121 HydrophobicContact CB-CG 4.34Å; L68-L121 HydrophobicContact CD2-CD2 4.33Å; L68-L121 HydrophobicContact CG-CD2 4.3Å; L68-L121 WeakPolarHBondContact O-CD2 3.5Å; I117-L121 PolarHBondContact O-N 3.36Å; T118-L121 VanDerWaalsContact O-CB 3.31Å; T118-L121 WeakPolarHBondContact O-CB 3.19Å; T118-L121 PolarHBondContact O-N 3.36Å; L121-T123 PolarHBondContact O-N 2.79Å; L121-A124 PolarHBondContact O-N 3.32Å; L121-A124 VanDerWaalsContact O-N 3.17Å; L121-K125 WeakPolarHBondContact O-CB 3.34Å; L121-K125 PolarHBondContact O-N 3.46Å |
| 122 | E | 71.3 | Confident | 68 | Low | 145 Ų | 145 | 79.1 Ų | 79.1 | 68% | 0.678 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.8 | -42.4 | -177.4 | -167.9 | 175.3 | 119.9 | 0 | 0 | 110.2 | T118 A119 S126 | T118-E122 PolarHBondContact O-N 3.46Å; T118-E122 VanDerWaalsContact O-N 3.1Å; A119-E122 PolarHBondContact O-N 3.22Å; E122-S126 PolarHBondContact O-OG 2.88Å |
| 123 | T | 68.3 | Low | 65.6 | Low | 104 Ų | 104 | 78.3 Ų | 78.3 | 64% | 0.638 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 176.5 | -50.6 | 0 | 0 | 0 | 0 | 112.2 | A119 C120 L121 S126 | A119-T123 PolarHBondContact O-N 3.22Å; A119-T123 PolarHBondContact O-OG1 3.36Å; C120-T123 PolarHBondContact O-N 3.18Å; L121-T123 PolarHBondContact O-N 2.79Å; T123-S126 PolarHBondContact O-N 3.47Å |
| 124 | A | 61.8 | Low | 63.5 | Low | 20 Ų | 20 | 84 Ų | 84 | 17% | 0.165 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -73.8 | -33.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.4 | P70 C120 L121 S126 T127 S128 | P70-A124 HydrophobicContact CB-CB 3.6Å; P70-A124 HydrophobicContact CG-CB 3.34Å; C120-A124 WeakPolarHBondContact O-CB 3.38Å; C120-A124 PolarHBondContact O-N 3.07Å; L121-A124 PolarHBondContact O-N 3.32Å; L121-A124 VanDerWaalsContact O-N 3.17Å; A124-S126 PolarHBondContact O-N 3.17Å; A124-T127 WeakPolarHBondContact O-CG2 3.39Å; A124-T127 PolarHBondContact O-N 3.01Å; A124-S128 PolarHBondContact O-N 3.41Å |
| 125 | K | 57.3 | Low | 61.6 | Low | 165 Ų | 165 | 85.7 Ų | 85.7 | 72% | 0.717 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.6 | -24.9 | 176.2 | -179.9 | 163.8 | 158.3 | 175.7 | 0 | 112.4 | L121 | L121-K125 WeakPolarHBondContact O-CB 3.34Å; L121-K125 PolarHBondContact O-N 3.46Å |
| 126 | S | 51 | Low | 59.7 | Low | 104 Ų | 104 | 83.9 Ų | 83.9 | 73% | 0.727 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76 | -21.1 | 172.2 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | E122 T123 A124 | E122-S126 PolarHBondContact O-OG 2.88Å; T123-S126 PolarHBondContact O-N 3.47Å; A124-S126 PolarHBondContact O-N 3.17Å |
| 127 | T | 51.3 | Low | 57.9 | Low | 118 Ų | 118 | 87.3 Ų | 87.3 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -99 | -9.9 | -177.9 | -170.1 | 0 | 0 | 0 | 0 | 114.6 | A124 | A124-T127 WeakPolarHBondContact O-CG2 3.39Å; A124-T127 PolarHBondContact O-N 3.01Å |
| 128 | S | 46.4 | Very low | 56 | Low | 103 Ų | 103 | 94.2 Ų | 94.2 | 72% | 0.72 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -104.7 | 6.9 | 176.3 | 67.7 | 0 | 0 | 0 | 0 | 114.6 | A124 G130 | A124-S128 PolarHBondContact O-N 3.41Å; S128-G130 PolarHBondContact O-N 3.4Å |
| 129 | G | 41.7 | Very low | 54.5 | Low | 63 Ų | 63 | 97.9 Ų | 97.9 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | trans | -94 | 59.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T131 | G129-T131 PolarHBondContact O-N 2.77Š| ||
| 130 | G | 39 | Very low | 52.8 | Low | 69 Ų | 69 | 101.6 Ų | 101.6 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | trans | -77.4 | 93 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S128 | S128-G130 PolarHBondContact O-N 3.4Š| ||
| 131 | T | 36.3 | Very low | 51.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 80% | 0.798 | 69% | 0.69 | S | S | * | * | trans | -133.5 | 98.3 | 143 | 37.5 | 0 | 0 | 0 | 0 | 109 | G129 G133 | G129-T131 PolarHBondContact O-N 2.77Å; T131-G133 PolarHBondContact O-N 3.18Å | ||
| 132 | P | 48.9 | Very low | 50.7 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 83% | 0.825 | 72% | 0.72 | S | S | * | * | trans | -72.7 | 88.1 | 156.5 | 30 | -26.3 | 0 | 0 | 0 | 106.6 | S134 | P132-S134 PolarHBondContact O-N 3.29Š| ||
| 133 | G | 40.2 | Very low | 49.6 | Very low | 70 Ų | 70 | 112.2 Ų | 112.2 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -79 | 106.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T131 | T131-G133 PolarHBondContact O-N 3.18Š| ||
| 134 | S | 46.3 | Very low | 48.7 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | trans | -37.9 | 125.8 | 176 | -48.2 | 0 | 0 | 0 | 0 | 115.1 | P132 | P132-S134 PolarHBondContact O-N 3.29Š| ||
| 135 | A | 47.3 | Very low | 48.5 | Very low | 92 Ų | 92 | 116.5 Ų | 116.5 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | trans | -131.9 | 109.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | A137 | A135-A137 PolarHBondContact O-N 2.91Å; A135-A137 VanDerWaalsContact O-N 3.14Å | ||
| 136 | P | 49.5 | Very low | 48.2 | Very low | 124 Ų | 124 | 114.6 Ų | 114.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -69.5 | 107.7 | 168.6 | 28.4 | -30 | 0 | 0 | 0 | 107.5 | D138 | P136-D138 VanDerWaalsContact C-N 3.33Å; P136-D138 PolarHBondContact O-N 3.36Å | ||
| 137 | A | 51.7 | Low | 48.1 | Very low | 103 Ų | 103 | 117.3 Ų | 117.3 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -67 | 101.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | A135 | A135-A137 PolarHBondContact O-N 2.91Å; A135-A137 VanDerWaalsContact O-N 3.14Å | ||
| 138 | D | 43.3 | Very low | 47.9 | Very low | 148 Ų | 148 | 118.6 Ų | 118.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | -50.7 | 134.9 | 169.3 | -160.2 | -109.1 | 0 | 0 | 0 | 109.8 | P136 P140 | P136-D138 VanDerWaalsContact C-N 3.33Å; P136-D138 PolarHBondContact O-N 3.36Å; D138-P140 WeakPolarHBondContact O-CD 3.47Å | ||
| 139 | L | 55.5 | Low | 47.4 | Very low | 146 Ų | 146 | 118.2 Ų | 118.2 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 114.3 | -176.3 | 177.1 | 78.4 | 0 | 0 | 0 | 109.4 | ||||
| 140 | P | 47 | Very low | 47.6 | Very low | 114 Ų | 114 | 123 Ų | 123 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 111.9 | 151 | 31.8 | -24.6 | 0 | 0 | 0 | 108.6 | D138 | D138-P140 WeakPolarHBondContact O-CD 3.47Š| ||
| 141 | T | 58 | Low | 48.4 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | trans | -23.6 | 140.6 | 159.9 | 45.2 | 0 | 0 | 0 | 0 | 116.1 | F143 | T141-F143 PolarHBondContact O-N 3.42Š| ||
| 142 | P | 52 | Low | 48.7 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -74.3 | 112.8 | 170.4 | 30.9 | -31.3 | 0 | 0 | 0 | 109.8 | ||||
| 143 | F | 49.6 | Very low | 48.5 | Very low | 200 Ų | 200 | 123.5 Ų | 123.5 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 116.5 | 168 | -156.5 | -92.4 | 0 | 0 | 0 | 109 | T141 | T141-F143 PolarHBondContact O-N 3.42Š|
| 144 | S | 49.3 | Very low | 49.5 | Very low | 97 Ų | 97 | 125.8 Ų | 125.8 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 141.3 | 179.8 | -51.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 145 | P | 57.5 | Low | 49.8 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 140.8 | 166.7 | 34 | -30.1 | 0 | 0 | 0 | 111.5 | ||
| 146 | P | 50.3 | Low | 49.4 | Very low | 124 Ų | 124 | 125.7 Ų | 125.7 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 138.5 | 159.3 | 32.8 | -25.9 | 0 | 0 | 0 | 111 | ||
| 147 | L | 49.6 | Very low | 49.2 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.5 | 174.4 | -54.8 | -170 | 0 | 0 | 0 | 111.7 | ||
| 148 | T | 46.2 | Very low | 48.9 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | -170.8 | 138.5 | 129.7 | -13.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 149 | A | 36.8 | Very low | 48.6 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 83.1 | 105.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 150 | L | 44.8 | Very low | 47.9 | Very low | 163 Ų | 163 | 126.1 Ų | 126.1 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -58.6 | 169.1 | 146.5 | -172.8 | 67.7 | 0 | 0 | 0 | 111.4 | ||||
| 151 | P | 56.7 | Low | 47.9 | Very low | 107 Ų | 107 | 126.3 Ų | 126.3 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | cis | -133.5 | 164.4 | 11 | 14.9 | 12.5 | 0 | 0 | 0 | 117.2 | ||||
| 152 | T | 42.2 | Very low | 47.2 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | -175.1 | 136.8 | 126.1 | -78.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 153 | A | 44.1 | Very low | 46.9 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -90.8 | 174.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 154 | P | 61.5 | Low | 47.1 | Very low | 118 Ų | 118 | 127.6 Ų | 127.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -102.9 | -171.5 | -154.3 | 48 | -41.2 | 0 | 0 | 0 | 112.8 | ||||
| 155 | P | 53.4 | Low | 47.3 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | -150.3 | 172.5 | 51.7 | 38 | -13.8 | 0 | 0 | 0 | 118.6 | |||||
| 156 | G | 39 | Very low | 47.4 | Very low | 76 Ų | 76 | 128.8 Ų | 128.8 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | trans | 140 | 87.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 157 | L | 44.2 | Very low | 47.7 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | 97 | 115.4 | 88 | -140.3 | -160.2 | 0 | 0 | 0 | 113.6 | |||||
| 158 | L | 45.6 | Very low | 48.2 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | 74.5 | 122.9 | 158.5 | -107.5 | -161.3 | 0 | 0 | 0 | 121.1 | ||||
| 159 | G | 36.7 | Very low | 48.8 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | trans | 146.3 | 44.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | P161 | G159-P161 WeakPolarHBondContact O-CD 3.07Š| ||
| 160 | T | 40.8 | Very low | 50 | Low | 132 Ų | 132 | 130.2 Ų | 130.2 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -85.8 | 126.9 | 167.4 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | Y162 | T160-Y162 PolarHBondContact O-N 3.36Š| ||
| 161 | P | 47.6 | Very low | 50.7 | Low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 107.5 | 152.1 | 29.4 | -27.8 | 0 | 0 | 0 | 108.8 | G159 | G159-P161 WeakPolarHBondContact O-CD 3.07Š| ||
| 162 | Y | 43.8 | Very low | 50.6 | Low | 212 Ų | 212 | 127 Ų | 127 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | trans | 24.7 | 95.8 | 154.1 | -73.2 | -89.3 | 0 | 0 | 0 | 118.1 | T160 I164 | T160-Y162 PolarHBondContact O-N 3.36Å; Y162-I164 PolarHBondContact O-N 3.03Å | ||
| 163 | A | 44.7 | Very low | 51.2 | Low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -68.3 | 112.7 | 148.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | S165 | A163-S165 PolarHBondContact O-N 2.72Š| ||
| 164 | I | 54.8 | Low | 51.8 | Low | 153 Ų | 153 | 131.2 Ų | 131.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 103 | 170.9 | -63.5 | 167.9 | 0 | 0 | 0 | 107 | Y162 L166 | Y162-I164 PolarHBondContact O-N 3.03Å; I164-L166 PolarHBondContact O-N 3.41Å | ||
| 165 | S | 53.4 | Low | 51.8 | Low | 89 Ų | 89 | 132.4 Ų | 132.4 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | trans | -70 | 118.9 | 172.7 | -164.9 | 0 | 0 | 0 | 0 | 109.5 | A163 S167 | A163-S165 PolarHBondContact O-N 2.72Å; S165-S167 WeakPolarHBondContact CB-OG 3.19Å; S165-S167 PolarHBondContact O-N 3.27Å; S165-S167 PolarHBondContact OG-OG 3.39Å | ||
| 166 | L | 59.2 | Low | 52 | Low | 150 Ų | 150 | 131.3 Ų | 131.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -73.3 | 19.5 | 174 | -79 | 164.5 | 0 | 0 | 0 | 113.6 | I164 N168 | I164-L166 PolarHBondContact O-N 3.41Å; L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.19Å; L166-N168 VanDerWaalsContact O-N 3.09Å | ||
| 167 | S | 57.6 | Low | 52.8 | Low | 78 Ų | 78 | 137.5 Ų | 137.5 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | -85 | 74.9 | 176.8 | 50.8 | 0 | 0 | 0 | 0 | 109.7 | S165 | S165-S167 WeakPolarHBondContact CB-OG 3.19Å; S165-S167 PolarHBondContact O-N 3.27Å; S165-S167 PolarHBondContact OG-OG 3.39Å | ||
| 168 | N | 60.2 | Low | 52.9 | Low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | -165.5 | 40 | 157.1 | -110.8 | 34.3 | 0 | 0 | 0 | 115 | L166 | L166-N168 VanDerWaalsContact C-N 3.34Å; L166-N168 PolarHBondContact O-N 3.19Å; L166-N168 VanDerWaalsContact O-N 3.09Å | ||
| 169 | F | 58.3 | Low | 52.9 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -99.3 | 19.7 | 164.7 | -86.3 | -80.5 | 0 | 0 | 0 | 113.7 | G171 L172 | F169-G171 PolarHBondContact O-N 3.01Å; F169-L172 HydrophobicContact CE1-CD1 4.45Å | ||
| 170 | I | 61.7 | Low | 53.8 | Low | 168 Ų | 168 | 137.5 Ų | 137.5 | 86% | 0.862 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 80.1 | 166.8 | -59.6 | 161.4 | 0 | 0 | 0 | 107 | ||
| 171 | G | 60.3 | Low | 54.6 | Low | 64 Ų | 64 | 136.5 Ų | 136.5 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.5 | -16.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.6 | F169 | F169-G171 PolarHBondContact O-N 3.01Š|
| 172 | L | 54.2 | Low | 54.8 | Low | 139 Ų | 139 | 136.7 Ų | 136.7 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -104.4 | 116.6 | 173.4 | -63.4 | -179 | 0 | 0 | 0 | 109.3 | F169 | F169-L172 HydrophobicContact CE1-CD1 4.45Š|
| 173 | K | 53.9 | Low | 55.1 | Low | 199 Ų | 199 | 131.1 Ų | 131.1 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.5 | 178.2 | -82.3 | 124.2 | 167.8 | 137.8 | 0 | 109.5 | V175 | K173-V175 PolarHBondContact O-N 3.38Š|
| 174 | P | 56.4 | Low | 55.4 | Low | 121 Ų | 121 | 131.9 Ų | 131.9 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 124.4 | 169.8 | 25.6 | -29.7 | 0 | 0 | 0 | 109 | ||
| 175 | V | 61.3 | Low | 55.2 | Low | 142 Ų | 142 | 130.4 Ų | 130.4 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 122.9 | 166.4 | -106.1 | 0 | 0 | 0 | 0 | 107.9 | K173 F177 | K173-V175 PolarHBondContact O-N 3.38Å; V175-F177 PolarHBondContact O-N 3.28Å |
| 176 | P | 59.1 | Low | 54.7 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 123 | -179.1 | 26.9 | -32.5 | 0 | 0 | 0 | 110.5 | L178 | P176-L178 PolarHBondContact O-N 3.14Š|
| 177 | F | 55.9 | Low | 55 | Low | 206 Ų | 206 | 128.3 Ų | 128.3 | 90% | 0.904 | 77% | 0.769 | S | S | * | * | trans | -67.3 | 103.1 | 156.1 | -159.8 | -94.7 | 0 | 0 | 0 | 107.2 | V175 | V175-F177 PolarHBondContact O-N 3.28Š| ||
| 178 | L | 45.7 | Very low | 54.8 | Low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 78% | 0.782 | S | S | * | * | trans | -129 | 100.9 | 171.8 | -129 | 82.6 | 0 | 0 | 0 | 105.9 | P176 | P176-L178 PolarHBondContact O-N 3.14Š| ||
| 179 | A | 46.4 | Very low | 54.2 | Low | 75 Ų | 75 | 129.2 Ų | 129.2 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | 101 | 110.9 | 87.8 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 180 | L | 55.4 | Low | 53.4 | Low | 169 Ų | 169 | 125.3 Ų | 125.3 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -55.6 | 148.4 | 162.1 | -80.9 | 91.9 | 0 | 0 | 0 | 109.9 | ||||
| 181 | P | 56.9 | Low | 52.8 | Low | 112 Ų | 112 | 125.9 Ų | 125.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | -138.5 | -173.9 | 125.2 | 43.7 | -30.4 | 0 | 0 | 0 | 110.7 | |||||
| 182 | P | 51.5 | Low | 52 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -112.9 | 166.9 | -99.4 | 21.5 | 1 | 0 | 0 | 0 | 113.8 | |||||
| 183 | A | 50.3 | Low | 51.6 | Low | 94 Ų | 94 | 124.7 Ų | 124.7 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -67.8 | 140.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 184 | S | 51.8 | Low | 51.2 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 167.9 | 169.8 | 144.9 | -89.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 185 | P | 49.9 | Very low | 50.4 | Low | 122 Ų | 122 | 125.2 Ų | 125.2 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | -133.1 | 155.3 | -56.6 | 35.5 | -18.4 | 0 | 0 | 0 | 111.7 | |||||
| 186 | G | 42.6 | Very low | 49.3 | Very low | 70 Ų | 70 | 122.8 Ų | 122.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 103.1 | 130.7 | 143.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 187 | P | 65.5 | Low | 48.7 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -85.8 | 170.1 | 161.1 | 37.7 | -30.7 | 0 | 0 | 0 | 110.4 | ||||
| 188 | P | 52.5 | Low | 48.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -149 | -163.1 | 123.8 | 44.7 | -27 | 0 | 0 | 0 | 111.9 | |||||
| 189 | P | 49.1 | Very low | 48 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | -122.6 | 143.1 | -103 | 29.9 | -8 | 0 | 0 | 0 | 113.2 | |||||
| 190 | G | 40 | Very low | 47.7 | Very low | 80 Ų | 80 | 123.2 Ų | 123.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -150.8 | 80.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A192 | G190-A192 PolarHBondContact O-N 3Š| ||
| 191 | L | 50.1 | Low | 47.3 | Very low | 180 Ų | 180 | 120.1 Ų | 120.1 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 115.5 | 173.4 | -68.9 | 164.4 | 0 | 0 | 0 | 110.9 | ||||
| 192 | A | 42.9 | Very low | 46.5 | Very low | 74 Ų | 74 | 122.3 Ų | 122.3 | 61% | 0.612 | 80% | 0.797 | S | S | * | * | trans | -161.3 | 89.4 | 147.1 | 0 | 0 | 0 | 0 | 0 | 106.3 | G190 | G190-A192 PolarHBondContact O-N 3Š| ||
| 193 | A | 46.3 | Very low | 46.2 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 41.4 | 68.4 | 74.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 194 | Y | 45.6 | Very low | 45.8 | Very low | 207 Ų | 207 | 119.6 Ų | 119.6 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -129.9 | 89.5 | 144.1 | 60.3 | -92.1 | 0 | 0 | 0 | 107.6 | ||||
| 195 | T | 39.1 | Very low | 45.4 | Very low | 124 Ų | 124 | 123.2 Ų | 123.2 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | 28.9 | 115.3 | 103.6 | -163.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 196 | A | 39.3 | Very low | 45.2 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | 39.3 | 131.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 197 | K | 45.7 | Very low | 45.8 | Very low | 187 Ų | 187 | 128.1 Ų | 128.1 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 175.7 | 116.8 | 97.2 | -177.2 | 164.2 | 171.1 | -170.9 | 0 | 110.2 | A199 | K197-A199 HydrophobicContact CG-CB 4.39Š| |||
| 198 | M | 47.9 | Very low | 45.3 | Very low | 197 Ų | 197 | 130.5 Ų | 130.5 | 97% | 0.97 | 79% | 0.791 | S | S | * | * | trans | -72.1 | 130.1 | 154.1 | -65.4 | -149.8 | -169.8 | 0 | 0 | 108.3 | ||||
| 199 | A | 38.4 | Very low | 45.6 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | trans | -150.5 | 108.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 105.2 | K197 | K197-A199 HydrophobicContact CG-CB 4.39Š| ||
| 200 | A | 41.6 | Very low | 46.1 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | 54.7 | 114.5 | 66.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 201 | A | 46.4 | Very low | 47.1 | Very low | 104 Ų | 104 | 138.9 Ų | 138.9 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 67.4 | 113.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 202 | N | 39.8 | Very low | 47.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -143.3 | 100.6 | 132.4 | -158.7 | -10.4 | 0 | 0 | 0 | 110 | ||||
| 203 | G | 45.5 | Very low | 48.6 | Very low | 58 Ų | 58 | 141.5 Ų | 141.5 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | trans | -100.6 | 168.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 204 | S | 41 | Very low | 49.8 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 105.2 | 127.3 | 171.3 | 87.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 205 | K | 44.6 | Very low | 50.2 | Low | 190 Ų | 190 | 146.8 Ų | 146.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | cis | -160.1 | 170.2 | 11.2 | -65.8 | -171.3 | 177.2 | 170.5 | 0 | 111.8 | ||||
| 206 | K | 44.8 | Very low | 50.8 | Low | 211 Ų | 211 | 148 Ų | 148 | 92% | 0.917 | 80% | 0.795 | S | S | * | * | trans | 96.4 | 130.8 | 163.7 | -74.2 | -163.1 | 171.8 | -170 | 0 | 115.3 | ||||
| 207 | A | 55.5 | Low | 51.4 | Low | 84 Ų | 84 | 151 Ų | 151 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | cis | -150.4 | 128.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 208 | E | 54.7 | Low | 51.7 | Low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | 33 | 92.8 | 96 | -157.8 | -165.7 | 119.2 | 0 | 0 | 115.2 | |||||
| 209 | R | 58.5 | Low | 51.9 | Low | 199 Ų | 199 | 146.2 Ų | 146.2 | 75% | 0.751 | 79% | 0.787 | S | S | * | * | 164.7 | 136.9 | 121.2 | -98.1 | -174.3 | 152.5 | -145.3 | -4.1 | 112.9 | |||||
| 210 | Q | 59.8 | Low | 52.8 | Low | 134 Ų | 134 | 150.8 Ų | 150.8 | 63% | 0.626 | 80% | 0.799 | S | S | * | * | trans | 77.5 | 133.4 | 155.3 | -53 | -123.7 | -35.7 | 0 | 0 | 115.3 | ||||
| 211 | K | 62.6 | Low | 53.5 | Low | 168 Ų | 168 | 154.3 Ų | 154.3 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | cis | -166.4 | 128.6 | 8.4 | -110.3 | 160.5 | 170.5 | 165 | 0 | 103.1 | ||||
| 212 | F | 52.4 | Low | 54 | Low | 200 Ų | 200 | 157.9 Ų | 157.9 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -167.5 | 107.8 | 144.1 | -129.8 | -95.6 | 0 | 0 | 0 | 108.4 | ||||
| 213 | S | 70.6 | Confident | 55.1 | Low | 110 Ų | 110 | 157.9 Ų | 157.9 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -97.6 | 133.7 | 162.5 | -64.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 214 | P | 73.1 | Confident | 55.9 | Low | 112 Ų | 112 | 166.3 Ų | 166.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -94.3 | 123.8 | 165.2 | 33.4 | -23.9 | 0 | 0 | 0 | 109.1 | ||||
| 215 | Y | 53.4 | Low | 57.3 | Low | 310 Ų | 310 | 172.1 Ų | 172.1 | 100% | 1.216 | 81% | 0.814 | S | S | * | * | trans | -128.4 | 0 | 146.7 | -99.9 | -77.8 | 0 | 0 | 0 | 106.7 |
Retrieved 215 of 215 residues in 268.4 ms
(Link to these results)