| 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 | 34.2 | Very low | 29.9 | Very low | 244 Ų | 244 | 147.9 Ų | 147.9 | 100% | 1.202 | 82% | 0.82 | S | S | * | * | 0 | 120.6 | 0 | -152.6 | 156.3 | -175.8 | 0 | 0 | 106.4 | |||||
| 2 | T | 25.7 | Very low | 30.1 | Very low | 133 Ų | 133 | 146.3 Ų | 146.3 | 82% | 0.816 | 81% | 0.809 | S | S | * | * | trans | -54.9 | 133.9 | -167.9 | 32.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | L | 28.6 | Very low | 30.6 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -70.2 | 122.2 | 166.5 | -68.9 | 165.7 | 0 | 0 | 0 | 109 | ||||
| 4 | L | 27.3 | Very low | 31.3 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -107.4 | 130.7 | 163.3 | -78.6 | 169.3 | 0 | 0 | 0 | 108.2 | ||||
| 5 | P | 33.6 | Very low | 31.7 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -83.7 | 126 | 169.5 | 33 | -26.8 | 0 | 0 | 0 | 108.3 | ||||
| 6 | G | 27.5 | Very low | 32 | Very low | 71 Ų | 71 | 135.1 Ų | 135.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -155 | 117.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 7 | D | 26.2 | Very low | 32.2 | Very low | 159 Ų | 159 | 132.6 Ų | 132.6 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | 65.4 | 107.2 | 162.9 | -68.7 | -17.5 | 0 | 0 | 0 | 120.4 | S9 | D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.41Å | ||
| 8 | N | 30.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | trans | -51.8 | 92.6 | 145.3 | -91 | -4.9 | 0 | 0 | 0 | 109.1 | D10 | N8-D10 PolarHBondContact O-N 2.93Š| ||
| 9 | S | 30.2 | Very low | 32.9 | Very low | 66 Ų | 66 | 131.5 Ų | 131.5 | 46% | 0.462 | 75% | 0.749 | S | S | . | * | trans | -78.6 | 100.9 | 157.7 | 56.6 | 0 | 0 | 0 | 0 | 107.9 | D7 Y11 | D7-S9 VanDerWaalsContact C-N 3.28Å; D7-S9 PolarHBondContact O-N 3.41Å; S9-Y11 VanDerWaalsContact C-N 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.44Å; S9-Y11 PolarHBondContact O-N 3.27Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.32Å | ||
| 10 | D | 30.2 | Very low | 33.4 | Very low | 153 Ų | 153 | 130.1 Ų | 130.1 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | -58.3 | 95.4 | 159.7 | -79.4 | -33.4 | 0 | 0 | 0 | 107.8 | N8 D12 | N8-D10 PolarHBondContact O-N 2.93Å; D10-D12 PolarHBondContact O-N 3.04Å | ||
| 11 | Y | 34.4 | Very low | 33.3 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 70% | 0.698 | 75% | 0.747 | S | S | * | * | trans | -71 | 97.5 | 172.1 | -75.3 | -74.1 | 0 | 0 | 0 | 108.2 | S9 Y13 | S9-Y11 VanDerWaalsContact C-N 3.27Å; S9-Y11 WeakPolarHBondContact O-CD2 3.44Å; S9-Y11 PolarHBondContact O-N 3.27Å; S9-Y11 WeakPolarHBondContact OG-CE2 3.32Å; Y11-Y13 VanDerWaalsContact O-CD2 3.27Å; Y11-Y13 WeakPolarHBondContact O-CD2 3.29Å; Y11-Y13 PolarHBondContact O-N 3.29Å | ||
| 12 | D | 32.7 | Very low | 33.2 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | -71.6 | 88.4 | 177.8 | -153.8 | -8.6 | 0 | 0 | 0 | 109.7 | D10 S14 | D10-D12 PolarHBondContact O-N 3.04Å; D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.17Å; D12-S14 VanDerWaalsContact O-N 3.13Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-OG 3.46Å | ||
| 13 | Y | 36.3 | Very low | 33.7 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 53% | 0.533 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -70.9 | 3.3 | 178.8 | -82.6 | -82.9 | 0 | 0 | 0 | 113.9 | Y11 A15 L468 | Y11-Y13 VanDerWaalsContact O-CD2 3.27Å; Y11-Y13 WeakPolarHBondContact O-CD2 3.29Å; Y11-Y13 PolarHBondContact O-N 3.29Å; Y13-A15 PolarHBondContact O-N 3.07Å; Y13-A15 VanDerWaalsContact O-N 3.14Å; Y13-L468 HydrophobicContact CD2-CD1 4.35Å; Y13-L468 HydrophobicContact CE2-CD1 4.1Å |
| 14 | S | 40.5 | Very low | 33.8 | Very low | 69 Ų | 69 | 121.8 Ų | 121.8 | 48% | 0.483 | 71% | 0.712 | S | S | . | * | G | 310 helix | trans | -68.8 | -8.4 | -177.9 | 60.1 | 0 | 0 | 0 | 0 | 114.4 | D12 | D12-S14 VanDerWaalsContact CG-OG 3.3Å; D12-S14 PolarHBondContact O-N 3.17Å; D12-S14 VanDerWaalsContact O-N 3.13Å; D12-S14 WeakPolarHBondContact OD1-CB 3.5Å; D12-S14 PolarHBondContact OD1-OG 3.46Å |
| 15 | A | 37.3 | Very low | 34 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -93 | -4.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | Y13 | Y13-A15 PolarHBondContact O-N 3.07Å; Y13-A15 VanDerWaalsContact O-N 3.14Å |
| 16 | L | 36 | Very low | 34 | Very low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 70% | 0.703 | S | S | * | * | trans | -104.7 | 9.6 | -174.1 | -78.3 | 160.4 | 0 | 0 | 0 | 115.1 | C18 | L16-C18 PolarHBondContact O-N 3.13Š| ||
| 17 | S | 36.3 | Very low | 34.2 | Very low | 92 Ų | 92 | 122 Ų | 122 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -76.6 | 62.7 | 171.6 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 18 | C | 41.4 | Very low | 34.5 | Very low | 116 Ų | 116 | 123 Ų | 123 | 78% | 0.784 | 70% | 0.701 | S | S | * | * | trans | -134.6 | 64.8 | 173.9 | -71.5 | 0 | 0 | 0 | 0 | 110.1 | L16 | L16-C18 PolarHBondContact O-N 3.13Š| ||
| 19 | T | 36.1 | Very low | 34.8 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -137.3 | 100.5 | 160.6 | 55.3 | 0 | 0 | 0 | 0 | 110.9 | ||
| 20 | S | 42.2 | Very low | 35 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 73% | 0.727 | 71% | 0.714 | S | S | * | * | trans | 55.7 | 81 | 141.8 | 56.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 21 | D | 31.1 | Very low | 35.6 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -112.8 | 74 | 138.6 | -91.8 | -29.6 | 0 | 0 | 0 | 108.5 | ||||
| 22 | A | 33 | Very low | 36.1 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | trans | -102.2 | 56 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 23 | S | 36.9 | Very low | 36.3 | Very low | 73 Ų | 73 | 129.7 Ų | 129.7 | 51% | 0.51 | 72% | 0.722 | S | S | . | * | trans | -143.1 | 134.3 | 165.3 | 46.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 24 | F | 29.8 | Very low | 36.7 | Very low | 193 Ų | 193 | 125.7 Ų | 125.7 | 85% | 0.846 | 72% | 0.717 | S | S | * | * | trans | 84.5 | 80.9 | -169.8 | -49.2 | -71.5 | 0 | 0 | 0 | 114.4 | P26 | F24-P26 VanDerWaalsContact O-CD 3.27Å; F24-P26 WeakPolarHBondContact O-CD 3.47Å | ||
| 25 | H | 31.2 | Very low | 36.8 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | trans | -75.7 | 117.1 | 151.7 | -88.5 | -78.6 | 0 | 0 | 0 | 109.2 | F28 | H25-F28 AromaticContact CE1-CE2 3.47Å; H25-F28 VanDerWaalsContact CE1-CE2 3.47Å; H25-F28 WeakPolarHBondContact CE1-CE2 3.41Å; H25-F28 AromaticContact ND1-CE2 3.87Å | ||
| 26 | P | 34.4 | Very low | 36.8 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | trans | -87.1 | 134.9 | 141.2 | 13.1 | 4.7 | 0 | 0 | 0 | 108.3 | F24 | F24-P26 VanDerWaalsContact O-CD 3.27Å; F24-P26 WeakPolarHBondContact O-CD 3.47Å | ||
| 27 | A | 32.4 | Very low | 37.4 | Very low | 90 Ų | 90 | 131 Ų | 131 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | -8.3 | 124.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | L29 | A27-L29 PolarHBondContact O-N 3.36Š| ||
| 28 | F | 31.6 | Very low | 37.8 | Very low | 180 Ų | 180 | 129 Ų | 129 | 79% | 0.789 | 72% | 0.72 | S | S | * | * | trans | -51 | 99.9 | 161.1 | -87.5 | -95.5 | 0 | 0 | 0 | 109.7 | H25 | H25-F28 AromaticContact CE1-CE2 3.47Å; H25-F28 VanDerWaalsContact CE1-CE2 3.47Å; H25-F28 WeakPolarHBondContact CE1-CE2 3.41Å; H25-F28 AromaticContact ND1-CE2 3.87Å | ||
| 29 | L | 36.7 | Very low | 38 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -63.6 | 130.8 | 158.4 | -77.4 | 168.9 | 0 | 0 | 0 | 107 | A27 Q31 | A27-L29 PolarHBondContact O-N 3.36Å; L29-Q31 PolarHBondContact O-N 3Å | ||
| 30 | P | 34.6 | Very low | 38.4 | Very low | 118 Ų | 118 | 130.3 Ų | 130.3 | 77% | 0.766 | 70% | 0.698 | S | S | * | * | trans | -60.7 | 108.9 | -178.4 | 21.2 | -29.1 | 0 | 0 | 0 | 109.2 | R32 | P30-R32 PolarHBondContact O-N 3.27Š| ||
| 31 | Q | 43 | Very low | 38.8 | Very low | 143 Ų | 143 | 136 Ų | 136 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | trans | -63.5 | 110 | 177.5 | -167.4 | 166.9 | 23.7 | 0 | 0 | 107.9 | L29 Q33 | L29-Q31 PolarHBondContact O-N 3Å; Q31-Q33 PolarHBondContact O-N 3.04Å | ||
| 32 | R | 44 | Very low | 40.1 | Very low | 227 Ų | 227 | 133 Ų | 133 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | trans | -52.6 | 112.4 | 174.2 | -86.8 | -178.4 | 172.6 | 178.6 | -1.8 | 108.5 | P30 A34 K135 | P30-R32 PolarHBondContact O-N 3.27Å; R32-A34 PolarHBondContact O-N 3.07Å; R32-K135 PolarHBondContact O-NZ 2.94Å | ||
| 33 | Q | 38.8 | Very low | 41.6 | Very low | 184 Ų | 184 | 128.5 Ų | 128.5 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -60.9 | 122.7 | 173.5 | -81.5 | -178.6 | -8.7 | 0 | 0 | 107.8 | Q31 I35 | Q31-Q33 PolarHBondContact O-N 3.04Å; Q33-I35 PolarHBondContact O-N 3.46Å | ||
| 34 | A | 43.8 | Very low | 43.3 | Very low | 52 Ų | 52 | 130.3 Ų | 130.3 | 43% | 0.43 | 65% | 0.645 | S | S | . | * | trans | -71.4 | 116.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108 | R32 K36 | R32-A34 PolarHBondContact O-N 3.07Å; A34-K36 PolarHBondContact O-N 3.08Å; A34-K36 VanDerWaalsContact O-N 3.11Å | ||
| 35 | I | 42.7 | Very low | 45.7 | Very low | 122 Ų | 122 | 128.2 Ų | 128.2 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | trans | -65.5 | 111.5 | 173.8 | -59 | 172.9 | 0 | 0 | 0 | 107.5 | Q33 G37 A38 | Q33-I35 PolarHBondContact O-N 3.46Å; I35-G37 PolarHBondContact O-N 2.68Å; I35-A38 HydrophobicContact CB-CB 4.32Å; I35-A38 HydrophobicContact CG2-CB 4.15Å | ||
| 36 | K | 36.7 | Very low | 48 | Very low | 208 Ų | 208 | 122.3 Ų | 122.3 | 90% | 0.904 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 126.4 | 175.3 | -77.6 | -176.1 | 176.9 | 179.5 | 0 | 109.1 | A34 | A34-K36 PolarHBondContact O-N 3.08Å; A34-K36 VanDerWaalsContact O-N 3.11Å |
| 37 | G | 48 | Very low | 49.8 | Very low | 50 Ų | 50 | 124.9 Ų | 124.9 | 52% | 0.515 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 97 | -18.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | I35 | I35-G37 PolarHBondContact O-N 2.68Š|
| 38 | A | 45.2 | Very low | 51.3 | Low | 52 Ų | 52 | 126.2 Ų | 126.2 | 43% | 0.43 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.4 | -34.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I35 | I35-A38 HydrophobicContact CB-CB 4.32Å; I35-A38 HydrophobicContact CG2-CB 4.15Å |
| 39 | F | 47 | Very low | 52.4 | Low | 61 Ų | 61 | 126.4 Ų | 126.4 | 27% | 0.268 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -93.9 | -10.3 | -172.2 | -58.5 | -62.8 | 0 | 0 | 0 | 114.6 | R41 R132 A133 | F39-R41 PolarHBondContact O-N 2.72Å; F39-R132 WeakPolarHBondContact CB-O 3.23Å; F39-R132 WeakPolarHBondContact CD1-O 3.19Å; F39-R132 WeakPolarHBondContact CE1-O 3.29Å; F39-R132 VanDerWaalsContact CG-O 3.29Å; F39-R132 WeakPolarHBondContact CG-O 3.44Å; F39-A133 HydrophobicContact CB-CB 4.4Å; F39-A133 HydrophobicContact CD2-CB 4.26Å; F39-A133 HydrophobicContact CG-CB 4.28Å |
| 40 | Y | 44.4 | Very low | 53.4 | Low | 210 Ų | 210 | 123 Ų | 123 | 82% | 0.824 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -74 | -9.8 | -179 | -116 | -88.9 | 0 | 0 | 0 | 113.7 | ||
| 41 | R | 49.9 | Very low | 54.3 | Low | 222 Ų | 222 | 122.4 Ų | 122.4 | 84% | 0.838 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -100.1 | -3.7 | -178.6 | -71.2 | -173.7 | -177 | 176.8 | 1.5 | 114.7 | F39 | F39-R41 PolarHBondContact O-N 2.72Š|
| 42 | R | 58.8 | Low | 54.6 | Low | 74 Ų | 74 | 119.6 Ų | 119.6 | 28% | 0.279 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -101 | -11.4 | -168.9 | -70 | -175.1 | 178.8 | -172 | -10.7 | 115.3 | P77 E83 | R42-P77 WeakPolarHBondContact O-CD 3.26Å; R42-E83 IonicContact CZ-OE1 2.73Å; R42-E83 VanDerWaalsContact CZ-OE1 3.29Å; R42-E83 IonicContact NH1-OE1 3.11Å; R42-E83 PolarHBondContact NH1-OE1 3.36Å; R42-E83 IonicContact NH1-OE2 3Å; R42-E83 PolarHBondContact NH1-OE2 3.12Å; R42-E83 IonicContact NH2-OE1 3.92Å; R42-E83 PolarHBondContact NH2-OE1 3.27Å; R42-E83 VanDerWaalsContact NH2-OE1 3.09Å |
| 43 | A | 64.8 | Low | 54.6 | Low | 10 Ų | 10 | 114.6 Ų | 114.6 | 8% | 0.083 | 57% | 0.565 | C | S | . | * | trans | -159 | 149 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S75 L76 L128 R132 | A43-S75 CarbonylContact C-O 3.56Å; A43-S75 WeakPolarHBondContact CA-O 3.46Å; A43-S75 WeakPolarHBondContact CB-O 3.4Å; A43-L76 HydrophobicContact CB-CB 4.46Å; A43-L76 HydrophobicContact CB-CD2 3.18Å; A43-L76 HydrophobicContact CB-CG 3.58Å; A43-L128 HydrophobicContact CB-CD1 4.04Å; A43-R132 VanDerWaalsContact C-CZ 3.49Å; A43-R132 HydrophobicContact CB-CG 4.12Å; A43-R132 PolarHBondContact O-NE 2.91Å; A43-R132 PolarHBondContact O-NH1 3.01Å; A43-R132 PolarHBondContact O-NH2 2.73Å | ||
| 44 | Q | 72.1 | Confident | 55 | Low | 110 Ų | 110 | 115.8 Ų | 115.8 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.9 | 130 | -177.2 | -169 | 167.7 | -2.1 | 0 | 0 | 109 | L46 S75 | Q44-L46 PolarHBondContact O-N 2.98Å; Q44-S75 PolarHBondContact N-O 2.87Å; Q44-S75 PolarHBondContact O-N 2.76Å |
| 45 | R | 79.7 | Confident | 55.3 | Low | 149 Ų | 149 | 116.2 Ų | 116.2 | 56% | 0.562 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.2 | 123.6 | 166.6 | 179.3 | 179 | 174.3 | -177.5 | 0.3 | 106.6 | R47 I72 Y74 | R45-R47 PolarHBondContact O-N 2.92Å; R45-I72 HydrophobicContact CG-CG2 3.92Å; R45-I72 VanDerWaalsContact NE-CG2 3.34Å; R45-Y74 HydrophobicContact CB-CD1 4.01Å; R45-Y74 HydrophobicContact CB-CE1 4.1Å; R45-Y74 HydrophobicContact CG-CD1 4.31Å; R45-Y74 HydrophobicContact CG-CE1 4.14Å |
| 46 | L | 78.4 | Confident | 55.6 | Low | 35 Ų | 35 | 112.4 Ų | 112.4 | 18% | 0.183 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -75.9 | 124.2 | 175.5 | -65.5 | 173.2 | 0 | 0 | 0 | 107.5 | Q44 I66 K73 | Q44-L46 PolarHBondContact O-N 2.98Å; L46-I66 HydrophobicContact CD1-CG2 4.26Å; L46-K73 HydrophobicContact CB-CB 4.15Å; L46-K73 HydrophobicContact CD1-CB 4.18Å; L46-K73 PolarHBondContact N-O 3.46Å |
| 47 | R | 73.1 | Confident | 56.5 | Low | 171 Ų | 171 | 108.9 Ų | 108.9 | 65% | 0.645 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 151.9 | 168.9 | -62.1 | 179.4 | 175.5 | 175.7 | -1 | 107.9 | R45 Q49 D50 | R45-R47 PolarHBondContact O-N 2.92Å; R47-Q49 PolarHBondContact O-N 3.14Å; R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact O-N 3.05Å |
| 48 | P | 63.3 | Low | 56.9 | Low | 118 Ų | 118 | 111.4 Ų | 111.4 | 77% | 0.766 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -55.5 | -24.5 | 176.7 | -25.4 | 33.8 | 0 | 0 | 0 | 113.9 | ||
| 49 | Q | 55 | Low | 57.5 | Low | 184 Ų | 184 | 113.3 Ų | 113.3 | 86% | 0.86 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -81.7 | -14.3 | 177 | -65.7 | 177.2 | -2.9 | 0 | 0 | 114 | R47 | R47-Q49 PolarHBondContact O-N 3.14Š|
| 50 | D | 57.7 | Low | 58.2 | Low | 84 Ų | 84 | 114 Ų | 114 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -100.2 | 5.5 | 179.5 | -59.1 | -41.3 | 0 | 0 | 0 | 111.8 | R47 | R47-D50 WeakPolarHBondContact CB-OD2 3.49Å; R47-D50 PolarHBondContact O-N 3.05Å |
| 51 | E | 53.5 | Low | 59.1 | Low | 104 Ų | 104 | 108.3 Ų | 108.3 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 123.4 | 174.7 | -79.1 | -165 | 147.5 | 0 | 0 | 109.3 | K73 | E51-K73 IonicContact OE1-NZ 3.63Å; E51-K73 PolarHBondContact OE1-NZ 2.94Å |
| 52 | P | 50 | Low | 59.9 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 135.9 | 177.5 | 24.7 | -30.7 | 0 | 0 | 0 | 109.1 | Q54 | P52-Q54 PolarHBondContact O-N 3.01Š|
| 53 | P | 44.2 | Very low | 60.8 | Low | 122 Ų | 122 | 111.3 Ų | 111.3 | 79% | 0.792 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -56.7 | 132.2 | 171.5 | 22.6 | -29.9 | 0 | 0 | 0 | 108.7 | G55 | P53-G55 PolarHBondContact O-N 3.17Å; P53-G55 VanDerWaalsContact O-N 3.11Å |
| 54 | Q | 47.1 | Very low | 61.7 | Low | 209 Ų | 209 | 116.1 Ų | 116.1 | 98% | 0.977 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -18.4 | 103.6 | -175.7 | -74.9 | 172.2 | -10 | 0 | 0 | 114.5 | P52 | P52-Q54 PolarHBondContact O-N 3.01Š|
| 55 | G | 50.4 | Low | 62.4 | Low | 62 Ų | 62 | 110.9 Ų | 110.9 | 64% | 0.639 | 54% | 0.544 | S | S | * | . | trans | 138 | 73.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P53 Q57 | P53-G55 PolarHBondContact O-N 3.17Å; P53-G55 VanDerWaalsContact O-N 3.11Å; G55-Q57 PolarHBondContact O-N 3.02Å | ||
| 56 | C | 47.6 | Very low | 62.9 | Low | 42 Ų | 42 | 105.3 Ų | 105.3 | 28% | 0.284 | 53% | 0.525 | S | S | . | . | trans | -66.4 | 118.8 | 168.3 | -160.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 57 | Q | 55.7 | Low | 63.5 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | trans | -57.2 | 142.7 | -179.3 | -69.3 | -158.5 | 9.8 | 0 | 0 | 110.4 | G55 E59 D60 | G55-Q57 PolarHBondContact O-N 3.02Å; Q57-E59 PolarHBondContact O-N 2.9Å; Q57-E59 VanDerWaalsContact O-N 3.09Å; Q57-D60 PolarHBondContact O-N 2.73Å | ||
| 58 | P | 57.4 | Low | 64.5 | Low | 102 Ų | 102 | 96.2 Ų | 96.2 | 66% | 0.662 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.8 | -31.5 | -177.9 | -23.5 | 31.8 | 0 | 0 | 0 | 113.7 | R61 | P58-R61 PolarHBondContact O-N 3.49Å |
| 59 | E | 57.7 | Low | 65.9 | Low | 92 Ų | 92 | 90.6 Ų | 90.6 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 177.3 | -78.3 | -72.9 | 130.8 | 0 | 0 | 113.1 | Q57 R62 R63 | Q57-E59 PolarHBondContact O-N 2.9Å; Q57-E59 VanDerWaalsContact O-N 3.09Å; E59-R62 PolarHBondContact O-N 3.38Å; E59-R63 IonicContact OE2-CZ 2.87Å; E59-R63 IonicContact OE2-NH2 3.65Å; E59-R63 PolarHBondContact OE2-NH2 3.37Å; E59-R63 VanDerWaalsContact OE2-NH2 3.11Å |
| 60 | D | 61.5 | Low | 67.6 | Low | 77 Ų | 77 | 83.6 Ų | 83.6 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74 | -32.2 | 179.8 | -74.2 | -35.9 | 0 | 0 | 0 | 111.7 | Q57 R62 R63 R64 | Q57-D60 PolarHBondContact O-N 2.73Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.48Å; D60-R63 PolarHBondContact O-N 3.32Å; D60-R63 VanDerWaalsContact O-N 3.11Å; D60-R64 PolarHBondContact O-N 2.86Å |
| 61 | R | 64.1 | Low | 68.9 | Low | 89 Ų | 89 | 82.1 Ų | 82.1 | 34% | 0.336 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -31.3 | 175.4 | -58.6 | -178.2 | -172.1 | -144.4 | -6.3 | 112.8 | P58 W78 V110 T111 N113 | P58-R61 PolarHBondContact O-N 3.49Å; R61-W78 PolarHBondContact O-NE1 2.91Å; R61-V110 PolarHBondContact NH1-O 3.38Å; R61-T111 VanDerWaalsContact CZ-O 3.27Å; R61-T111 PolarHBondContact NH1-O 3.04Å; R61-T111 PolarHBondContact NH2-O 3.28Å; R61-N113 HydrophobicContact CG-CB 4.49Å |
| 62 | R | 66.3 | Low | 70.6 | Confident | 201 Ų | 201 | 78.9 Ų | 78.9 | 76% | 0.758 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -76.6 | -23.5 | 176.6 | -71.3 | -176 | 174.6 | -177.9 | -2.5 | 113.1 | E59 D60 | E59-R62 PolarHBondContact O-N 3.38Å; D60-R62 VanDerWaalsContact C-N 3.26Å; D60-R62 PolarHBondContact O-N 3.48Å |
| 63 | R | 76.4 | Confident | 72.5 | Confident | 159 Ų | 159 | 77.3 Ų | 77.3 | 60% | 0.6 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -100.2 | -29.1 | -174.6 | -64.9 | 179.4 | -168.1 | -171.6 | 7.4 | 112.7 | E59 D60 P77 W78 | E59-R63 IonicContact OE2-CZ 2.87Å; E59-R63 IonicContact OE2-NH2 3.65Å; E59-R63 PolarHBondContact OE2-NH2 3.37Å; E59-R63 VanDerWaalsContact OE2-NH2 3.11Å; D60-R63 PolarHBondContact O-N 3.32Å; D60-R63 VanDerWaalsContact O-N 3.11Å; R63-P77 VanDerWaalsContact O-CA 3.31Å; R63-P77 WeakPolarHBondContact O-CA 3.38Å; R63-W78 PolarHBondContact O-N 2.97Å |
| 64 | R | 84.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 72 Ų | 72 | 42% | 0.415 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 149.3 | -174.4 | -63.7 | -177.5 | 175 | -141.3 | 4 | 112.6 | D60 L76 W78 | D60-R64 PolarHBondContact O-N 2.86Å; R64-L76 CarbonylContact C-O 3.46Å; R64-L76 WeakPolarHBondContact CA-O 3.5Å; R64-W78 PolarHBondContact O-NE1 2.91Å |
| 65 | I | 86.8 | Confident | 76.5 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 143 | 172.4 | -171.2 | 179.1 | 0 | 0 | 0 | 109.3 | I67 S75 L76 W78 L81 L92 F115 | I65-I67 HydrophobicContact CD1-CG1 4.22Å; I65-I67 HydrophobicContact CG1-CG1 4.29Å; I65-I67 HydrophobicContact CG2-CG1 4.37Å; I65-S75 WeakPolarHBondContact O-CA 3.42Å; I65-L76 HydrophobicContact CG2-CB 3.7Å; I65-L76 WeakPolarHBondContact CG2-O 3.45Å; I65-L76 PolarHBondContact N-O 3.08Å; I65-L76 PolarHBondContact O-N 3.19Å; I65-W78 HydrophobicContact CB-CD2 4.24Å; I65-W78 HydrophobicContact CB-CH2 4.26Å; I65-W78 HydrophobicContact CB-CZ2 3.84Å; I65-W78 HydrophobicContact CD1-CH2 3.51Å; I65-W78 HydrophobicContact CD1-CZ2 3.92Å; I65-W78 HydrophobicContact CD1-CZ3 3.85Å; I65-W78 HydrophobicContact CG1-CH2 4.06Å; I65-W78 HydrophobicContact CG1-CZ2 3.93Å; I65-L81 HydrophobicContact CD1-CD1 4.25Å; I65-L81 HydrophobicContact CG2-CD1 4.09Å; I65-L92 HydrophobicContact CD1-CB 4.5Å; I65-L92 HydrophobicContact CD1-CD1 3.69Å; I65-F115 HydrophobicContact CD1-CD2 3.61Å; I65-F115 HydrophobicContact CD1-CE2 3.67Å; I65-F115 HydrophobicContact CD1-CG 4.32Å; I65-F115 HydrophobicContact CD1-CZ 4.39Å; I65-F115 HydrophobicContact CG1-CD2 3.55Å; I65-F115 HydrophobicContact CG1-CE2 3.61Å |
| 66 | I | 90.1 | Very high | 78.2 | Confident | 32 Ų | 32 | 59.7 Ų | 59.7 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.6 | 170.9 | -56.4 | 178.9 | 0 | 0 | 0 | 107.9 | L46 K73 Y74 E114 F115 | L46-I66 HydrophobicContact CD1-CG2 4.26Å; I66-K73 HydrophobicContact CG2-CB 4.37Å; I66-Y74 CarbonylContact C-O 3.33Å; I66-Y74 WeakPolarHBondContact CA-O 3.41Å; I66-E114 HydrophobicContact CB-CB 4.3Å; I66-E114 HydrophobicContact CG2-CB 4.2Å; I66-E114 HydrophobicContact CG2-CG 3.96Å; I66-F115 PolarHBondContact O-N 3.37Å |
| 67 | I | 91.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.7 | 176.8 | -55.2 | -173.3 | 0 | 0 | 0 | 107.6 | I65 V69 K73 Y74 L76 L89 F117 F124 | I65-I67 HydrophobicContact CD1-CG1 4.22Å; I65-I67 HydrophobicContact CG1-CG1 4.29Å; I65-I67 HydrophobicContact CG2-CG1 4.37Å; I67-V69 HydrophobicContact CG2-CG2 3.74Å; I67-K73 CarbonylContact O-C 3.53Å; I67-K73 WeakPolarHBondContact O-CA 3.23Å; I67-Y74 PolarHBondContact N-O 3.39Å; I67-Y74 WeakPolarHBondContact O-CD2 3.49Å; I67-Y74 PolarHBondContact O-N 2.95Å; I67-L76 HydrophobicContact CD1-CD1 3.3Å; I67-L76 HydrophobicContact CG1-CD1 3.93Å; I67-L89 HydrophobicContact CD1-CD1 3.55Å; I67-L89 HydrophobicContact CD1-CD2 3.63Å; I67-L89 HydrophobicContact CD1-CG 4.14Å; I67-L89 HydrophobicContact CG2-CD2 4.48Å; I67-F117 HydrophobicContact CG2-CD2 3.76Å; I67-F117 HydrophobicContact CG2-CE2 3.79Å; I67-F124 HydrophobicContact CG2-CE1 4.29Å; I67-F124 HydrophobicContact CG2-CZ 3.94Å |
| 68 | N | 92.9 | Very high | 81.4 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117 | 174.1 | -176.8 | -7.5 | 0 | 0 | 0 | 109.2 | G71 I72 K73 E114 F115 F116 F117 | N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 3.1Å; N68-I72 WeakPolarHBondContact CA-O 3.37Å; N68-I72 PolarHBondContact OD1-N 2.9Å; N68-K73 HydrophobicContact CB-CG 4.18Å; N68-E114 HydrophobicContact CB-CG 3.96Å; N68-E114 WeakPolarHBondContact CB-OE1 3.31Å; N68-E114 PolarHBondContact ND2-OE1 2.85Å; N68-F115 PolarHBondContact N-O 3.49Å; N68-F116 HydrophobicContact CB-CD2 4.05Å; N68-F116 CarbonylContact O-C 3.56Å; N68-F116 WeakPolarHBondContact O-CA 3.47Å; N68-F117 PolarHBondContact O-N 2.83Å |
| 69 | V | 93.9 | Very high | 82.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 116.1 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | I67 G71 I72 Y74 F117 R119 F124 W154 | I67-V69 HydrophobicContact CG2-CG2 3.74Å; V69-G71 PolarHBondContact O-N 3.5Å; V69-G71 VanDerWaalsContact O-N 3.14Å; V69-I72 PolarHBondContact N-O 2.57Å; V69-I72 PolarHBondContact O-N 2.64Å; V69-Y74 HydrophobicContact CB-CE2 4.35Å; V69-Y74 HydrophobicContact CG2-CE2 4.49Å; V69-F117 WeakPolarHBondContact CA-O 3.19Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.26Å; V69-F117 HydrophobicContact CG2-CD2 4.42Å; V69-R119 HydrophobicContact CG1-CB 3.9Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 3.99Å; V69-F124 HydrophobicContact CB-CG 4.06Å; V69-F124 HydrophobicContact CG1-CB 3.86Å; V69-F124 HydrophobicContact CG1-CG 4.08Å; V69-F124 HydrophobicContact CG2-CB 4.32Å; V69-F124 HydrophobicContact CG2-CD1 3.48Å; V69-F124 VanDerWaalsContact CG2-CD1 3.48Å; V69-F124 HydrophobicContact CG2-CD2 3.93Å; V69-F124 HydrophobicContact CG2-CE1 3.62Å; V69-F124 HydrophobicContact CG2-CE2 4.05Å; V69-F124 HydrophobicContact CG2-CG 3.63Å; V69-F124 HydrophobicContact CG2-CZ 3.9Å; V69-W154 HydrophobicContact CG1-CZ2 4.18Å; V69-W154 HydrophobicContact CG2-CH2 4Å; V69-W154 HydrophobicContact CG2-CZ2 4.29Å |
| 70 | G | 89.8 | Confident | 83.8 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 38% | 0.381 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 32.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | F117 | G70-F117 PolarHBondContact N-O 3.27Š|
| 71 | G | 86.8 | Confident | 84.9 | Confident | 53 Ų | 53 | 45.6 Ų | 45.6 | 55% | 0.546 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -5.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N68 V69 | N68-G71 WeakPolarHBondContact OD1-CA 3.4Å; N68-G71 PolarHBondContact OD1-N 3.1Å; V69-G71 PolarHBondContact O-N 3.5Å; V69-G71 VanDerWaalsContact O-N 3.14Å |
| 72 | I | 88.1 | Confident | 85.7 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.1 | 175.3 | -52.7 | -170 | 0 | 0 | 0 | 110.4 | R45 N68 V69 Y74 P121 | R45-I72 HydrophobicContact CG-CG2 3.92Å; R45-I72 VanDerWaalsContact NE-CG2 3.34Å; N68-I72 WeakPolarHBondContact CA-O 3.37Å; N68-I72 PolarHBondContact OD1-N 2.9Å; V69-I72 PolarHBondContact N-O 2.57Å; V69-I72 PolarHBondContact O-N 2.64Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD2 4.43Å; I72-Y74 HydrophobicContact CG2-CE1 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 WeakPolarHBondContact O-CD2 3.47Å; I72-Y74 WeakPolarHBondContact O-CE2 3.49Å; I72-P121 HydrophobicContact CB-CB 4.32Å; I72-P121 HydrophobicContact CD1-CB 3.51Å; I72-P121 HydrophobicContact CD1-CG 4.09Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.42Å |
| 73 | K | 89.8 | Confident | 86.5 | Confident | 50 Ų | 50 | 40 Ų | 40 | 22% | 0.217 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 136.8 | -179.9 | -56.3 | -174.5 | -174.9 | -170.7 | 0 | 112.9 | L46 E51 I66 I67 N68 E114 | L46-K73 HydrophobicContact CB-CB 4.15Å; L46-K73 HydrophobicContact CD1-CB 4.18Å; L46-K73 PolarHBondContact N-O 3.46Å; E51-K73 IonicContact OE1-NZ 3.63Å; E51-K73 PolarHBondContact OE1-NZ 2.94Å; I66-K73 HydrophobicContact CG2-CB 4.37Å; I67-K73 CarbonylContact O-C 3.53Å; I67-K73 WeakPolarHBondContact O-CA 3.23Å; N68-K73 HydrophobicContact CB-CG 4.18Å; K73-E114 VanDerWaalsContact CE-OE1 3.29Å; K73-E114 WeakPolarHBondContact CE-OE1 3.49Å; K73-E114 WeakPolarHBondContact CE-OE2 3.46Å; K73-E114 IonicContact NZ-OE1 3.41Å; K73-E114 IonicContact NZ-OE2 2.6Å; K73-E114 PolarHBondContact NZ-OE2 3.48Å |
| 74 | Y | 88.4 | Confident | 86.8 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.5 | 179 | -57.3 | -86.1 | 0 | 0 | 0 | 110.1 | R45 I66 I67 V69 I72 F124 L128 | R45-Y74 HydrophobicContact CB-CD1 4.01Å; R45-Y74 HydrophobicContact CB-CE1 4.1Å; R45-Y74 HydrophobicContact CG-CD1 4.31Å; R45-Y74 HydrophobicContact CG-CE1 4.14Å; I66-Y74 CarbonylContact C-O 3.33Å; I66-Y74 WeakPolarHBondContact CA-O 3.41Å; I67-Y74 PolarHBondContact N-O 3.39Å; I67-Y74 WeakPolarHBondContact O-CD2 3.49Å; I67-Y74 PolarHBondContact O-N 2.95Å; V69-Y74 HydrophobicContact CB-CE2 4.35Å; V69-Y74 HydrophobicContact CG2-CE2 4.49Å; I72-Y74 HydrophobicContact CB-CE2 3.88Å; I72-Y74 HydrophobicContact CG2-CD2 4.43Å; I72-Y74 HydrophobicContact CG2-CE1 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.68Å; I72-Y74 WeakPolarHBondContact O-CD2 3.47Å; I72-Y74 WeakPolarHBondContact O-CE2 3.49Å; Y74-F124 AromaticContact CD2-CD1 3.8Å; Y74-F124 HydrophobicContact CD2-CD1 3.8Å; Y74-F124 AromaticContact CD2-CE1 3.57Å; Y74-F124 HydrophobicContact CD2-CE1 3.57Å; Y74-F124 AromaticContact CE2-CD1 3.49Å; Y74-F124 HydrophobicContact CE2-CD1 3.49Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.49Å; Y74-F124 AromaticContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CG-CE1 4.05Å; Y74-F124 AromaticContact CZ-CD1 3.93Å; Y74-L128 HydrophobicContact CD1-CD2 3.19Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.9Å |
| 75 | S | 87.3 | Confident | 86.8 | Confident | 11 Ų | 11 | 33.1 Ų | 33.1 | 8% | 0.077 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 124.6 | 173.7 | -175.8 | 0 | 0 | 0 | 0 | 110.2 | A43 Q44 I65 | A43-S75 CarbonylContact C-O 3.56Å; A43-S75 WeakPolarHBondContact CA-O 3.46Å; A43-S75 WeakPolarHBondContact CB-O 3.4Å; Q44-S75 PolarHBondContact N-O 2.87Å; Q44-S75 PolarHBondContact O-N 2.76Å; I65-S75 WeakPolarHBondContact O-CA 3.42Å |
| 76 | L | 85.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 141.5 | -179.2 | -75.3 | 145 | 0 | 0 | 0 | 109.7 | A43 R64 I65 I67 T80 L128 | A43-L76 HydrophobicContact CB-CB 4.46Å; A43-L76 HydrophobicContact CB-CD2 3.18Å; A43-L76 HydrophobicContact CB-CG 3.58Å; R64-L76 CarbonylContact C-O 3.46Å; R64-L76 WeakPolarHBondContact CA-O 3.5Å; I65-L76 HydrophobicContact CG2-CB 3.7Å; I65-L76 WeakPolarHBondContact CG2-O 3.45Å; I65-L76 PolarHBondContact N-O 3.08Å; I65-L76 PolarHBondContact O-N 3.19Å; I67-L76 HydrophobicContact CD1-CD1 3.3Å; I67-L76 HydrophobicContact CG1-CD1 3.93Å; L76-T80 HydrophobicContact CD2-CG2 4.18Å; L76-L128 HydrophobicContact CD1-CD1 3.91Å; L76-L128 HydrophobicContact CD2-CD1 3.74Å; L76-L128 HydrophobicContact CG-CD1 4.12Å |
| 77 | P | 85.1 | Confident | 86.7 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 141.7 | 162.4 | -17.2 | 32 | 0 | 0 | 0 | 110.9 | R42 R63 T79 T80 | R42-P77 WeakPolarHBondContact O-CD 3.26Å; R63-P77 VanDerWaalsContact O-CA 3.31Å; R63-P77 WeakPolarHBondContact O-CA 3.38Å; P77-T79 PolarHBondContact O-N 2.96Å; P77-T79 VanDerWaalsContact O-N 3.12Å; P77-T80 WeakPolarHBondContact O-CB 3.46Å; P77-T80 PolarHBondContact O-N 3.08Å; P77-T80 PolarHBondContact O-OG1 3.27Å |
| 78 | W | 85.3 | Confident | 86.7 | Confident | 40 Ų | 40 | 42.4 Ų | 42.4 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.4 | -30.8 | 175.2 | -75.7 | 108.2 | 0 | 0 | 0 | 113.2 | R61 R63 R64 I65 T80 L81 D82 L92 K93 F115 | R61-W78 PolarHBondContact O-NE1 2.91Å; R63-W78 PolarHBondContact O-N 2.97Å; R64-W78 PolarHBondContact O-NE1 2.91Å; I65-W78 HydrophobicContact CB-CD2 4.24Å; I65-W78 HydrophobicContact CB-CH2 4.26Å; I65-W78 HydrophobicContact CB-CZ2 3.84Å; I65-W78 HydrophobicContact CD1-CH2 3.51Å; I65-W78 HydrophobicContact CD1-CZ2 3.92Å; I65-W78 HydrophobicContact CD1-CZ3 3.85Å; I65-W78 HydrophobicContact CG1-CH2 4.06Å; I65-W78 HydrophobicContact CG1-CZ2 3.93Å; W78-T80 PolarHBondContact O-N 3.33Å; W78-L81 HydrophobicContact CE3-CD1 4.02Å; W78-L81 HydrophobicContact CZ3-CD1 4.14Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.09Å; W78-D82 PolarHBondContact O-N 2.98Å; W78-L92 HydrophobicContact CH2-CB 4.48Å; W78-L92 HydrophobicContact CZ3-CB 4.29Å; W78-K93 HydrophobicContact CE3-CB 4.13Å; W78-K93 HydrophobicContact CE3-CD 4.41Å; W78-K93 HydrophobicContact CE3-CG 4.17Å; W78-K93 HydrophobicContact CZ3-CB 3.96Å; W78-K93 HydrophobicContact CZ3-CG 4.35Å; W78-F115 HydrophobicContact CH2-CE2 4.49Å; W78-F115 HydrophobicContact CH2-CZ 4.45Å |
| 79 | T | 84.1 | Confident | 86.6 | Confident | 88 Ų | 88 | 41.9 Ų | 41.9 | 54% | 0.54 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -19.9 | 176.7 | 54.9 | 0 | 0 | 0 | 0 | 114.3 | P77 D82 | P77-T79 PolarHBondContact O-N 2.96Å; P77-T79 VanDerWaalsContact O-N 3.12Å; T79-D82 WeakPolarHBondContact CA-OD2 3.12Å |
| 80 | T | 82.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -74.8 | -33.5 | 176.2 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | L76 P77 W78 D82 L131 | L76-T80 HydrophobicContact CD2-CG2 4.18Å; P77-T80 WeakPolarHBondContact O-CB 3.46Å; P77-T80 PolarHBondContact O-N 3.08Å; P77-T80 PolarHBondContact O-OG1 3.27Å; W78-T80 PolarHBondContact O-N 3.33Å; T80-D82 VanDerWaalsContact C-N 3.33Å; T80-L131 WeakPolarHBondContact CG2-O 3.2Å |
| 81 | L | 83.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.7 | -24.6 | 179.6 | -58.6 | -179.6 | 0 | 0 | 0 | 111.7 | I65 W78 E83 F84 L89 | I65-L81 HydrophobicContact CD1-CD1 4.25Å; I65-L81 HydrophobicContact CG2-CD1 4.09Å; W78-L81 HydrophobicContact CE3-CD1 4.02Å; W78-L81 HydrophobicContact CZ3-CD1 4.14Å; W78-L81 PolarHBondContact O-N 3.43Å; W78-L81 VanDerWaalsContact O-N 3.09Å; L81-E83 PolarHBondContact O-N 3.27Å; L81-F84 CarbonylContact O-C 3.45Å; L81-F84 PolarHBondContact O-N 3.16Å; L81-L89 HydrophobicContact CD2-CB 3.71Å; L81-L89 HydrophobicContact CD2-CD1 4.49Å |
| 82 | D | 82.3 | Confident | 86.3 | Confident | 77 Ų | 77 | 42.6 Ų | 42.6 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.5 | 173.9 | -71 | -34.5 | 0 | 0 | 0 | 113.4 | W78 T79 T80 F84 K93 | W78-D82 PolarHBondContact O-N 2.98Å; T79-D82 WeakPolarHBondContact CA-OD2 3.12Å; T80-D82 VanDerWaalsContact C-N 3.33Å; D82-F84 PolarHBondContact O-N 3.41Å; D82-K93 WeakPolarHBondContact OD1-CD 3.41Å; D82-K93 WeakPolarHBondContact OD1-CE 3.3Å; D82-K93 IonicContact OD1-NZ 3.62Å; D82-K93 PolarHBondContact OD1-NZ 2.96Å; D82-K93 IonicContact OD2-NZ 2.73Å; D82-K93 PolarHBondContact OD2-NZ 2.95Å |
| 83 | E | 81.2 | Confident | 86.1 | Confident | 96 Ų | 96 | 45.8 Ų | 45.8 | 45% | 0.449 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -15.7 | 176.6 | -65.2 | -178.2 | -177.6 | 0 | 0 | 112 | R42 L81 | R42-E83 IonicContact CZ-OE1 2.73Å; R42-E83 VanDerWaalsContact CZ-OE1 3.29Å; R42-E83 IonicContact NH1-OE1 3.11Å; R42-E83 PolarHBondContact NH1-OE1 3.36Å; R42-E83 IonicContact NH1-OE2 3Å; R42-E83 PolarHBondContact NH1-OE2 3.12Å; R42-E83 IonicContact NH2-OE1 3.92Å; R42-E83 PolarHBondContact NH2-OE1 3.27Å; R42-E83 VanDerWaalsContact NH2-OE1 3.09Å; L81-E83 PolarHBondContact O-N 3.27Å |
| 84 | F | 84.3 | Confident | 85.8 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | trans | -137.8 | 59 | -173.6 | -56.9 | -78.8 | 0 | 0 | 0 | 113 | L81 D82 L86 T87 F130 L131 | L81-F84 CarbonylContact O-C 3.45Å; L81-F84 PolarHBondContact O-N 3.16Å; D82-F84 PolarHBondContact O-N 3.41Å; F84-L86 VanDerWaalsContact C-N 3.26Å; F84-L86 PolarHBondContact O-N 3.05Å; F84-T87 HydrophobicContact CB-CG2 3.8Å; F84-T87 PolarHBondContact O-N 2.87Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 2.82Å; F84-F130 HydrophobicContact CD1-CE1 4.06Å; F84-F130 HydrophobicContact CD1-CZ 4.03Å; F84-F130 AromaticContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE2 4.25Å; F84-F130 AromaticContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CZ-CZ 4.34Å; F84-L131 HydrophobicContact CB-CD2 4.05Å; F84-L131 HydrophobicContact CD2-CD2 3.6Å; F84-L131 HydrophobicContact CE2-CD2 4.2Å; F84-L131 HydrophobicContact CG-CD2 3.84Å | ||
| 85 | P | 84.2 | Confident | 85.7 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24.1 | -170.6 | 27.4 | -36 | 0 | 0 | 0 | 114.2 | T87 | P85-T87 VanDerWaalsContact C-N 3.34Š|
| 86 | L | 85.3 | Confident | 85.5 | Confident | 154 Ų | 154 | 52.9 Ų | 52.9 | 81% | 0.806 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -16.1 | 179.7 | -62.1 | 176.5 | 0 | 0 | 0 | 113.3 | F84 | F84-L86 VanDerWaalsContact C-N 3.26Å; F84-L86 PolarHBondContact O-N 3.05Å |
| 87 | T | 89.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -72 | 155.5 | 177.5 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | F84 P85 L89 G90 Q91 W154 I156 | F84-T87 HydrophobicContact CB-CG2 3.8Å; F84-T87 PolarHBondContact O-N 2.87Å; F84-T87 VanDerWaalsContact O-N 3.14Å; F84-T87 PolarHBondContact O-OG1 2.82Å; P85-T87 VanDerWaalsContact C-N 3.34Å; T87-L89 PolarHBondContact O-N 3.12Å; T87-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.43Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-G90 VanDerWaalsContact OG1-N 3.16Å; T87-Q91 PolarHBondContact O-N 3.4Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; T87-W154 WeakPolarHBondContact CA-O 3.23Å; T87-W154 WeakPolarHBondContact CB-O 3.44Å; T87-I156 HydrophobicContact CG2-CG1 3.88Å |
| 88 | R | 91.1 | Very high | 85.6 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 24% | 0.242 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -54.1 | -39.6 | 177 | -176 | -179.1 | -77.2 | -125.8 | 2.1 | 111.9 | Q91 V104 Y153 W154 | R88-Q91 WeakPolarHBondContact O-CB 3.24Å; R88-Q91 PolarHBondContact O-N 3.11Å; R88-V104 HydrophobicContact CG-CG1 3.7Å; R88-V104 PolarHBondContact NH1-O 3.42Å; R88-V104 WeakPolarHBondContact O-CG1 3.36Å; R88-Y153 PolarHBondContact NE-O 3.39Å; R88-Y153 PolarHBondContact NH1-OH 3.35Å; R88-W154 PolarHBondContact N-O 3.49Å |
| 89 | L | 90.3 | Very high | 85.6 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -70.1 | -33.8 | 176 | -66.9 | -175.6 | 0 | 0 | 0 | 113.1 | I67 L81 T87 Q91 L92 F117 F124 L131 W154 | I67-L89 HydrophobicContact CD1-CD1 3.55Å; I67-L89 HydrophobicContact CD1-CD2 3.63Å; I67-L89 HydrophobicContact CD1-CG 4.14Å; I67-L89 HydrophobicContact CG2-CD2 4.48Å; L81-L89 HydrophobicContact CD2-CB 3.71Å; L81-L89 HydrophobicContact CD2-CD1 4.49Å; T87-L89 PolarHBondContact O-N 3.12Å; L89-Q91 PolarHBondContact O-N 3.42Å; L89-L92 HydrophobicContact CD2-CD1 3.8Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.17Å; L89-F117 HydrophobicContact CD2-CE1 4.46Å; L89-F117 HydrophobicContact CD2-CE2 3.87Å; L89-F117 HydrophobicContact CD2-CZ 3.66Å; L89-F124 HydrophobicContact CD1-CE2 3.75Å; L89-F124 HydrophobicContact CD1-CZ 3.81Å; L89-L131 HydrophobicContact CD1-CD1 3.71Å; L89-W154 HydrophobicContact CD1-CE3 4.34Å; L89-W154 HydrophobicContact CD1-CZ3 4.23Å; L89-W154 HydrophobicContact CD2-CE3 4.19Å; L89-W154 HydrophobicContact CD2-CZ3 3.61Å; L89-W154 HydrophobicContact CG-CE3 3.9Å; L89-W154 HydrophobicContact CG-CZ3 3.82Å |
| 90 | G | 87.1 | Confident | 85.8 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 9% | 0.093 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T87 L92 K93 | T87-G90 WeakPolarHBondContact O-CA 3.35Å; T87-G90 PolarHBondContact O-N 3.43Å; T87-G90 PolarHBondContact OG1-N 3.22Å; T87-G90 VanDerWaalsContact OG1-N 3.16Å; G90-L92 VanDerWaalsContact C-N 3.27Å; G90-L92 PolarHBondContact O-N 3.07Å; G90-K93 PolarHBondContact O-N 2.97Å |
| 91 | Q | 89.3 | Confident | 86 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.1 | -27.7 | -180 | -63.8 | 170.7 | 19.9 | 0 | 0 | 113 | T87 R88 L89 K93 A94 C95 V104 | T87-Q91 PolarHBondContact O-N 3.4Å; T87-Q91 VanDerWaalsContact O-N 3.13Å; R88-Q91 WeakPolarHBondContact O-CB 3.24Å; R88-Q91 PolarHBondContact O-N 3.11Å; L89-Q91 PolarHBondContact O-N 3.42Å; Q91-K93 PolarHBondContact O-N 3.49Å; Q91-A94 WeakPolarHBondContact O-CB 3.23Å; Q91-A94 PolarHBondContact O-N 3.33Å; Q91-C95 PolarHBondContact O-N 3.01Å; Q91-C95 PolarHBondContact O-SG 3.46Å; Q91-C95 VanDerWaalsContact O-SG 3.36Å; Q91-V104 HydrophobicContact CB-CG2 4.4Å |
| 92 | L | 88.4 | Confident | 86.2 | Confident | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -27.7 | 178.5 | -67.8 | 174.6 | 0 | 0 | 0 | 113.3 | I65 W78 L89 G90 A94 V104 F115 F117 | I65-L92 HydrophobicContact CD1-CB 4.5Å; I65-L92 HydrophobicContact CD1-CD1 3.69Å; W78-L92 HydrophobicContact CH2-CB 4.48Å; W78-L92 HydrophobicContact CZ3-CB 4.29Å; L89-L92 HydrophobicContact CD2-CD1 3.8Å; L89-L92 WeakPolarHBondContact O-CB 3.2Å; L89-L92 PolarHBondContact O-N 3.17Å; G90-L92 VanDerWaalsContact C-N 3.27Å; G90-L92 PolarHBondContact O-N 3.07Å; L92-A94 VanDerWaalsContact C-N 3.35Å; L92-V104 HydrophobicContact CD2-CB 3.87Å; L92-V104 HydrophobicContact CD2-CG1 3.5Å; L92-V104 VanDerWaalsContact CD2-CG1 3.5Å; L92-V104 HydrophobicContact CG-CG1 3.96Å; L92-F115 HydrophobicContact CD1-CD1 4.25Å; L92-F115 HydrophobicContact CD1-CG 4.3Å; L92-F115 HydrophobicContact CD2-CD1 3.71Å; L92-F115 HydrophobicContact CD2-CE1 3.89Å; L92-F117 HydrophobicContact CD1-CZ 4.18Å |
| 93 | K | 83.1 | Confident | 86.5 | Confident | 103 Ų | 103 | 70.2 Ų | 70.2 | 45% | 0.448 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -24.1 | 178.3 | -165 | 175.7 | 179.4 | -175.8 | 0 | 112.8 | W78 D82 G90 Q91 | W78-K93 HydrophobicContact CE3-CB 4.13Å; W78-K93 HydrophobicContact CE3-CD 4.41Å; W78-K93 HydrophobicContact CE3-CG 4.17Å; W78-K93 HydrophobicContact CZ3-CB 3.96Å; W78-K93 HydrophobicContact CZ3-CG 4.35Å; D82-K93 WeakPolarHBondContact OD1-CD 3.41Å; D82-K93 WeakPolarHBondContact OD1-CE 3.3Å; D82-K93 IonicContact OD1-NZ 3.62Å; D82-K93 PolarHBondContact OD1-NZ 2.96Å; D82-K93 IonicContact OD2-NZ 2.73Å; D82-K93 PolarHBondContact OD2-NZ 2.95Å; G90-K93 PolarHBondContact O-N 2.97Å; Q91-K93 PolarHBondContact O-N 3.49Å |
| 94 | A | 84.4 | Confident | 86.9 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -16.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q91 L92 T96 | Q91-A94 WeakPolarHBondContact O-CB 3.23Å; Q91-A94 PolarHBondContact O-N 3.33Å; L92-A94 VanDerWaalsContact C-N 3.35Å; A94-T96 PolarHBondContact O-N 3.4Å |
| 95 | C | 86.8 | Confident | 87.2 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 17% | 0.169 | 35% | 0.352 | C | S | . | . | trans | -68.2 | 126.1 | 176.8 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | Q91 D100 I101 | Q91-C95 PolarHBondContact O-N 3.01Å; Q91-C95 PolarHBondContact O-SG 3.46Å; Q91-C95 VanDerWaalsContact O-SG 3.36Å; C95-D100 HydrophobicContact CB-CB 3.88Å; C95-D100 PolarHBondContact SG-O 2.99Å; C95-D100 VanDerWaalsContact SG-O 3.36Å; C95-I101 HydrophobicContact CB-CG1 3.75Å | ||
| 96 | T | 81.7 | Confident | 87.5 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 71% | 0.706 | 35% | 0.348 | S | S | * | . | trans | -109.1 | -27.6 | 178.4 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | A94 | A94-T96 PolarHBondContact O-N 3.4Š| ||
| 97 | N | 86.9 | Confident | 87.7 | Confident | 99 Ų | 99 | 61.9 Ų | 61.9 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -115.4 | 161.8 | -177.3 | -60.1 | -18.9 | 0 | 0 | 0 | 111.8 | D99 D100 I101 | N97-D99 VanDerWaalsContact C-N 3.31Å; N97-D99 PolarHBondContact O-N 2.81Å; N97-D100 PolarHBondContact N-OD2 3.45Å; N97-D100 PolarHBondContact O-N 2.91Å; N97-I101 WeakPolarHBondContact O-CG1 3.41Å; N97-I101 PolarHBondContact O-N 3.23Å |
| 98 | F | 85.5 | Confident | 87.8 | Confident | 101 Ų | 101 | 63.1 Ų | 63.1 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -39 | 179.3 | -174.8 | -101.7 | 0 | 0 | 0 | 112.5 | D100 I101 L102 Y108 | F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.14Å; F98-I101 WeakPolarHBondContact O-CB 3.16Å; F98-I101 PolarHBondContact O-N 2.65Å; F98-I101 VanDerWaalsContact O-N 3.17Å; F98-L102 HydrophobicContact CD1-CD1 3.81Å; F98-L102 HydrophobicContact CD1-CG 4.33Å; F98-L102 HydrophobicContact CE1-CD1 3.27Å; F98-L102 HydrophobicContact CE1-CG 3.97Å; F98-L102 HydrophobicContact CZ-CD1 3.82Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 HydrophobicContact CZ-CG 4.18Å; F98-L102 PolarHBondContact O-N 3.07Å; F98-L102 VanDerWaalsContact O-N 3.07Å; F98-Y108 HydrophobicContact CD2-CD1 4.01Å; F98-Y108 AromaticContact CE2-CD1 3.93Å; F98-Y108 HydrophobicContact CE2-CD1 3.93Å |
| 99 | D | 85.3 | Confident | 87.5 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 62% | 0.615 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.5 | -36.9 | 177.5 | -60 | -36.3 | 0 | 0 | 0 | 112 | N97 I101 L102 N103 | N97-D99 VanDerWaalsContact C-N 3.31Å; N97-D99 PolarHBondContact O-N 2.81Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 2.73Å; D99-L102 PolarHBondContact O-N 2.89Å; D99-N103 VanDerWaalsContact O-CG 3.3Å; D99-N103 PolarHBondContact O-N 3.42Å; D99-N103 VanDerWaalsContact O-N 3.11Å; D99-N103 PolarHBondContact O-ND2 3.24Å; D99-N103 VanDerWaalsContact O-ND2 3.12Å |
| 100 | D | 87.9 | Confident | 87.2 | Confident | 58 Ų | 58 | 66.7 Ų | 66.7 | 31% | 0.31 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -32.2 | 176.5 | -59.4 | -33.8 | 0 | 0 | 0 | 111.7 | C95 N97 F98 | C95-D100 HydrophobicContact CB-CB 3.88Å; C95-D100 PolarHBondContact SG-O 2.99Å; C95-D100 VanDerWaalsContact SG-O 3.36Å; N97-D100 PolarHBondContact N-OD2 3.45Å; N97-D100 PolarHBondContact O-N 2.91Å; F98-D100 VanDerWaalsContact C-N 3.32Å; F98-D100 PolarHBondContact O-N 3.14Å |
| 101 | I | 87.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 70.8 Ų | 70.8 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.4 | -47.2 | 176.8 | -67.6 | 170.3 | 0 | 0 | 0 | 109.9 | C95 N97 F98 D99 N103 V104 C105 Y108 F115 | C95-I101 HydrophobicContact CB-CG1 3.75Å; N97-I101 WeakPolarHBondContact O-CG1 3.41Å; N97-I101 PolarHBondContact O-N 3.23Å; F98-I101 WeakPolarHBondContact O-CB 3.16Å; F98-I101 PolarHBondContact O-N 2.65Å; F98-I101 VanDerWaalsContact O-N 3.17Å; D99-I101 VanDerWaalsContact C-N 3.28Å; D99-I101 PolarHBondContact O-N 2.73Å; I101-N103 PolarHBondContact O-N 3.29Å; I101-V104 PolarHBondContact O-N 2.83Å; I101-C105 WeakPolarHBondContact CG2-SG 3.48Å; I101-C105 PolarHBondContact O-N 3.44Å; I101-C105 PolarHBondContact O-SG 2.9Å; I101-Y108 HydrophobicContact CD1-CD1 4.11Å; I101-Y108 HydrophobicContact CD1-CE1 3.97Å; I101-Y108 HydrophobicContact CG2-CD1 4.14Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.77Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.28Å; I101-F115 HydrophobicContact CG1-CE1 4.25Å; I101-F115 HydrophobicContact CG2-CD1 3.77Å; I101-F115 HydrophobicContact CG2-CE1 3.52Å |
| 102 | L | 88.7 | Confident | 86 | Confident | 69 Ų | 69 | 69 Ų | 69 | 36% | 0.361 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.5 | -18.5 | 178.8 | -69.9 | -178 | 0 | 0 | 0 | 113.9 | F98 D99 V104 C105 | F98-L102 HydrophobicContact CD1-CD1 3.81Å; F98-L102 HydrophobicContact CD1-CG 4.33Å; F98-L102 HydrophobicContact CE1-CD1 3.27Å; F98-L102 HydrophobicContact CE1-CG 3.97Å; F98-L102 HydrophobicContact CZ-CD1 3.82Å; F98-L102 HydrophobicContact CZ-CD2 4.4Å; F98-L102 HydrophobicContact CZ-CG 4.18Å; F98-L102 PolarHBondContact O-N 3.07Å; F98-L102 VanDerWaalsContact O-N 3.07Å; D99-L102 PolarHBondContact O-N 2.89Å; L102-V104 PolarHBondContact O-N 3.42Å; L102-C105 CarbonylContact C-O 3.23Å; L102-C105 VanDerWaalsContact O-O 3.07Å |
| 103 | N | 88.1 | Confident | 85.8 | Confident | 131 Ų | 131 | 69.6 Ų | 69.6 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.5 | 169.4 | -73.4 | -36.5 | 0 | 0 | 0 | 112.9 | D99 I101 | D99-N103 VanDerWaalsContact O-CG 3.3Å; D99-N103 PolarHBondContact O-N 3.42Å; D99-N103 VanDerWaalsContact O-N 3.11Å; D99-N103 PolarHBondContact O-ND2 3.24Å; D99-N103 VanDerWaalsContact O-ND2 3.12Å; I101-N103 PolarHBondContact O-N 3.29Å |
| 104 | V | 89.1 | Confident | 86.1 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | -42.2 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | R88 Q91 L92 I101 L102 F117 | R88-V104 HydrophobicContact CG-CG1 3.7Å; R88-V104 PolarHBondContact NH1-O 3.42Å; R88-V104 WeakPolarHBondContact O-CG1 3.36Å; Q91-V104 HydrophobicContact CB-CG2 4.4Å; L92-V104 HydrophobicContact CD2-CB 3.87Å; L92-V104 HydrophobicContact CD2-CG1 3.5Å; L92-V104 VanDerWaalsContact CD2-CG1 3.5Å; L92-V104 HydrophobicContact CG-CG1 3.96Å; I101-V104 PolarHBondContact O-N 2.83Å; L102-V104 PolarHBondContact O-N 3.42Å; V104-F117 WeakPolarHBondContact O-CE1 3.33Å |
| 105 | C | 91 | Very high | 86.4 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -119.4 | 159 | -179.1 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | I101 L102 D107 F115 F116 F117 | I101-C105 WeakPolarHBondContact CG2-SG 3.48Å; I101-C105 PolarHBondContact O-N 3.44Å; I101-C105 PolarHBondContact O-SG 2.9Å; L102-C105 CarbonylContact C-O 3.23Å; L102-C105 VanDerWaalsContact O-O 3.07Å; C105-D107 PolarHBondContact SG-O 3.24Å; C105-D107 VanDerWaalsContact SG-O 3.42Å; C105-F115 HydrophobicContact CB-CB 4.47Å; C105-F116 WeakPolarHBondContact CB-O 3.49Å; C105-F117 HydrophobicContact CB-CD1 4.17Å; C105-F117 HydrophobicContact CB-CE1 3.64Å; C105-F117 HydrophobicContact CB-CE2 4.02Å; C105-F117 HydrophobicContact CB-CZ 3.55Å |
| 106 | D | 90.6 | Very high | 86.8 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 48% | 0.476 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -78.7 | -30.1 | -173.7 | -58.6 | -55.2 | 0 | 0 | 0 | 112.7 | F116 F117 D118 | D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.88Å; D106-F117 WeakPolarHBondContact OD2-CA 3.43Å; D106-D118 PolarHBondContact OD2-N 2.93Å |
| 107 | D | 90.4 | Very high | 87.4 | Confident | 94 Ų | 94 | 58.1 Ų | 58.1 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 156 | 174 | -161.6 | 1.9 | 0 | 0 | 0 | 111.1 | C105 F116 | C105-D107 PolarHBondContact SG-O 3.24Å; C105-D107 VanDerWaalsContact SG-O 3.42Å; D107-F116 HydrophobicContact CB-CB 3.95Å; D107-F116 HydrophobicContact CB-CD1 4.06Å; D107-F116 HydrophobicContact CB-CG 4.42Å; D107-F116 PolarHBondContact N-O 3.35Å; D107-F116 PolarHBondContact O-N 3.03Å |
| 108 | Y | 89.8 | Confident | 87.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 116.3 | -179.7 | 177 | -118.8 | 0 | 0 | 0 | 112.5 | F98 I101 V110 N113 E114 F115 | F98-Y108 HydrophobicContact CD2-CD1 4.01Å; F98-Y108 AromaticContact CE2-CD1 3.93Å; F98-Y108 HydrophobicContact CE2-CD1 3.93Å; I101-Y108 HydrophobicContact CD1-CD1 4.11Å; I101-Y108 HydrophobicContact CD1-CE1 3.97Å; I101-Y108 HydrophobicContact CG2-CD1 4.14Å; I101-Y108 HydrophobicContact CG2-CD2 4.22Å; I101-Y108 HydrophobicContact CG2-CG 3.77Å; Y108-V110 HydrophobicContact CD1-CG2 4.02Å; Y108-V110 HydrophobicContact CE1-CB 4.44Å; Y108-V110 HydrophobicContact CE1-CG2 3.81Å; Y108-N113 PolarHBondContact OH-OD1 3.28Å; Y108-E114 WeakPolarHBondContact CA-O 3.4Å; Y108-E114 WeakPolarHBondContact CD2-O 3.47Å; Y108-F115 AromaticContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD2 4.07Å; Y108-F115 AromaticContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE2 4.03Å; Y108-F115 AromaticContact CD2-CG 3.87Å; Y108-F115 HydrophobicContact CD2-CG 3.87Å; Y108-F115 AromaticContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CE2-CD1 4.06Å; Y108-F115 AromaticContact CE2-CD2 3.95Å; Y108-F115 HydrophobicContact CE2-CD2 3.95Å; Y108-F115 AromaticContact CE2-CE1 3.65Å; Y108-F115 HydrophobicContact CE2-CE1 3.65Å; Y108-F115 AromaticContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CG 4.21Å; Y108-F115 AromaticContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CG-CD1 4.42Å; Y108-F115 HydrophobicContact CG-CE1 4.35Å |
| 109 | D | 86.4 | Confident | 88.1 | Confident | 57 Ų | 57 | 57.5 Ų | 57.5 | 31% | 0.305 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 107.1 | 173.6 | 177.7 | 11.7 | 0 | 0 | 0 | 111.1 | T111 C112 N113 E114 | D109-T111 VanDerWaalsContact C-N 3.25Å; D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.44Å; D109-T111 WeakPolarHBondContact OD1-CB 3.38Å; D109-T111 PolarHBondContact OD1-N 3.31Å; D109-T111 PolarHBondContact OD1-OG1 2.89Å; D109-T111 PolarHBondContact OD2-OG1 2.93Å; D109-T111 VanDerWaalsContact OD2-OG1 3.07Å; D109-C112 PolarHBondContact O-N 3.2Å; D109-C112 VanDerWaalsContact OD2-CB 3.29Å; D109-C112 WeakPolarHBondContact OD2-CB 3.33Å; D109-C112 PolarHBondContact OD2-N 3.12Å; D109-C112 PolarHBondContact OD2-SG 2.9Å; D109-N113 VanDerWaalsContact O-CA 3.23Å; D109-N113 WeakPolarHBondContact O-CA 3.49Å; D109-N113 PolarHBondContact O-N 2.79Å; D109-E114 HydrophobicContact CB-CB 4.29Å; D109-E114 PolarHBondContact N-O 3.47Å; D109-E114 PolarHBondContact O-N 2.98Å; D109-E114 VanDerWaalsContact O-N 3.1Å |
| 110 | V | 82.8 | Confident | 88.2 | Confident | 86 Ų | 86 | 55.5 Ų | 55.5 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -30.5 | 177.4 | -172.8 | 0 | 0 | 0 | 0 | 112.3 | R61 Y108 | R61-V110 PolarHBondContact NH1-O 3.38Å; Y108-V110 HydrophobicContact CD1-CG2 4.02Å; Y108-V110 HydrophobicContact CE1-CB 4.44Å; Y108-V110 HydrophobicContact CE1-CG2 3.81Å |
| 111 | T | 78.6 | Confident | 88.3 | Confident | 95 Ų | 95 | 54.5 Ų | 54.5 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -40.7 | -176 | 69.8 | 0 | 0 | 0 | 0 | 111.3 | R61 D109 | R61-T111 VanDerWaalsContact CZ-O 3.27Å; R61-T111 PolarHBondContact NH1-O 3.04Å; R61-T111 PolarHBondContact NH2-O 3.28Å; D109-T111 VanDerWaalsContact C-N 3.25Å; D109-T111 VanDerWaalsContact CG-OG1 3.26Å; D109-T111 PolarHBondContact O-N 3.29Å; D109-T111 WeakPolarHBondContact OD1-CA 3.44Å; D109-T111 WeakPolarHBondContact OD1-CB 3.38Å; D109-T111 PolarHBondContact OD1-N 3.31Å; D109-T111 PolarHBondContact OD1-OG1 2.89Å; D109-T111 PolarHBondContact OD2-OG1 2.93Å; D109-T111 VanDerWaalsContact OD2-OG1 3.07Å |
| 112 | C | 73.8 | Confident | 88.2 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -7.8 | 179.2 | -60.4 | 0 | 0 | 0 | 0 | 113.9 | D109 E114 | D109-C112 PolarHBondContact O-N 3.2Å; D109-C112 VanDerWaalsContact OD2-CB 3.29Å; D109-C112 WeakPolarHBondContact OD2-CB 3.33Å; D109-C112 PolarHBondContact OD2-N 3.12Å; D109-C112 PolarHBondContact OD2-SG 2.9Å; C112-E114 VanDerWaalsContact C-N 3.28Å; C112-E114 HydrophobicContact CB-CB 4.1Å |
| 113 | N | 83 | Confident | 88.1 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 10% | 0.096 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 46.8 | -169.1 | -165.5 | 39.5 | 0 | 0 | 0 | 111.6 | R61 Y108 D109 | R61-N113 HydrophobicContact CG-CB 4.49Å; Y108-N113 PolarHBondContact OH-OD1 3.28Å; D109-N113 VanDerWaalsContact O-CA 3.23Å; D109-N113 WeakPolarHBondContact O-CA 3.49Å; D109-N113 PolarHBondContact O-N 2.79Å |
| 114 | E | 89 | Confident | 88.2 | Confident | 21 Ų | 21 | 46 Ų | 46 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.7 | -174.8 | 176.9 | 176.2 | 158.6 | 0 | 0 | 110.2 | I66 N68 K73 Y108 D109 C112 | I66-E114 HydrophobicContact CB-CB 4.3Å; I66-E114 HydrophobicContact CG2-CB 4.2Å; I66-E114 HydrophobicContact CG2-CG 3.96Å; N68-E114 HydrophobicContact CB-CG 3.96Å; N68-E114 WeakPolarHBondContact CB-OE1 3.31Å; N68-E114 PolarHBondContact ND2-OE1 2.85Å; K73-E114 VanDerWaalsContact CE-OE1 3.29Å; K73-E114 WeakPolarHBondContact CE-OE1 3.49Å; K73-E114 WeakPolarHBondContact CE-OE2 3.46Å; K73-E114 IonicContact NZ-OE1 3.41Å; K73-E114 IonicContact NZ-OE2 2.6Å; K73-E114 PolarHBondContact NZ-OE2 3.48Å; Y108-E114 WeakPolarHBondContact CA-O 3.4Å; Y108-E114 WeakPolarHBondContact CD2-O 3.47Å; D109-E114 HydrophobicContact CB-CB 4.29Å; D109-E114 PolarHBondContact N-O 3.47Å; D109-E114 PolarHBondContact O-N 2.98Å; D109-E114 VanDerWaalsContact O-N 3.1Å; C112-E114 VanDerWaalsContact C-N 3.28Å; C112-E114 HydrophobicContact CB-CB 4.1Å |
| 115 | F | 92.3 | Very high | 88.1 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.5 | 177.9 | -62.7 | -100 | 0 | 0 | 0 | 109.2 | I65 I66 N68 W78 L92 I101 C105 Y108 F117 | I65-F115 HydrophobicContact CD1-CD2 3.61Å; I65-F115 HydrophobicContact CD1-CE2 3.67Å; I65-F115 HydrophobicContact CD1-CG 4.32Å; I65-F115 HydrophobicContact CD1-CZ 4.39Å; I65-F115 HydrophobicContact CG1-CD2 3.55Å; I65-F115 HydrophobicContact CG1-CE2 3.61Å; I66-F115 PolarHBondContact O-N 3.37Å; N68-F115 PolarHBondContact N-O 3.49Å; W78-F115 HydrophobicContact CH2-CE2 4.49Å; W78-F115 HydrophobicContact CH2-CZ 4.45Å; L92-F115 HydrophobicContact CD1-CD1 4.25Å; L92-F115 HydrophobicContact CD1-CG 4.3Å; L92-F115 HydrophobicContact CD2-CD1 3.71Å; L92-F115 HydrophobicContact CD2-CE1 3.89Å; I101-F115 HydrophobicContact CB-CE1 4.5Å; I101-F115 HydrophobicContact CD1-CE1 4.28Å; I101-F115 HydrophobicContact CG1-CE1 4.25Å; I101-F115 HydrophobicContact CG2-CD1 3.77Å; I101-F115 HydrophobicContact CG2-CE1 3.52Å; C105-F115 HydrophobicContact CB-CB 4.47Å; Y108-F115 AromaticContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD1 3.6Å; Y108-F115 HydrophobicContact CD2-CD2 4.07Å; Y108-F115 AromaticContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE1 3.58Å; Y108-F115 HydrophobicContact CD2-CE2 4.03Å; Y108-F115 AromaticContact CD2-CG 3.87Å; Y108-F115 HydrophobicContact CD2-CG 3.87Å; Y108-F115 AromaticContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CD2-CZ 3.8Å; Y108-F115 HydrophobicContact CE2-CD1 4.06Å; Y108-F115 AromaticContact CE2-CD2 3.95Å; Y108-F115 HydrophobicContact CE2-CD2 3.95Å; Y108-F115 AromaticContact CE2-CE1 3.65Å; Y108-F115 HydrophobicContact CE2-CE1 3.65Å; Y108-F115 AromaticContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CE2 3.51Å; Y108-F115 HydrophobicContact CE2-CG 4.21Å; Y108-F115 AromaticContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CE2-CZ 3.35Å; Y108-F115 HydrophobicContact CG-CD1 4.42Å; Y108-F115 HydrophobicContact CG-CE1 4.35Å; F115-F117 HydrophobicContact CB-CE2 3.99Å |
| 116 | F | 93.6 | Very high | 87.9 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 25% | 0.254 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 137.9 | -175.9 | 179.6 | -104.7 | 0 | 0 | 0 | 112.1 | N68 C105 D106 D107 D118 | N68-F116 HydrophobicContact CB-CD2 4.05Å; N68-F116 CarbonylContact O-C 3.56Å; N68-F116 WeakPolarHBondContact O-CA 3.47Å; C105-F116 WeakPolarHBondContact CB-O 3.49Å; D106-F116 HydrophobicContact CB-CD1 4.23Å; D106-F116 PolarHBondContact N-O 2.88Å; D107-F116 HydrophobicContact CB-CB 3.95Å; D107-F116 HydrophobicContact CB-CD1 4.06Å; D107-F116 HydrophobicContact CB-CG 4.42Å; D107-F116 PolarHBondContact N-O 3.35Å; D107-F116 PolarHBondContact O-N 3.03Å; F116-D118 HydrophobicContact CE1-CB 3.96Å; F116-D118 HydrophobicContact CZ-CB 4.29Å |
| 117 | F | 95.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.2 | 176.3 | -61.9 | -92.2 | 0 | 0 | 0 | 109.6 | I67 N68 V69 G70 L89 L92 V104 C105 D106 F115 R119 Y153 W154 | I67-F117 HydrophobicContact CG2-CD2 3.76Å; I67-F117 HydrophobicContact CG2-CE2 3.79Å; N68-F117 PolarHBondContact O-N 2.83Å; V69-F117 WeakPolarHBondContact CA-O 3.19Å; V69-F117 HydrophobicContact CG1-CB 4.47Å; V69-F117 HydrophobicContact CG2-CB 4.26Å; V69-F117 HydrophobicContact CG2-CD2 4.42Å; G70-F117 PolarHBondContact N-O 3.27Å; L89-F117 HydrophobicContact CD2-CE1 4.46Å; L89-F117 HydrophobicContact CD2-CE2 3.87Å; L89-F117 HydrophobicContact CD2-CZ 3.66Å; L92-F117 HydrophobicContact CD1-CZ 4.18Å; V104-F117 WeakPolarHBondContact O-CE1 3.33Å; C105-F117 HydrophobicContact CB-CD1 4.17Å; C105-F117 HydrophobicContact CB-CE1 3.64Å; C105-F117 HydrophobicContact CB-CE2 4.02Å; C105-F117 HydrophobicContact CB-CZ 3.55Å; D106-F117 WeakPolarHBondContact OD2-CA 3.43Å; F115-F117 HydrophobicContact CB-CE2 3.99Å; F117-R119 HydrophobicContact CB-CG 4.39Å; F117-R119 PolarHBondContact O-N 3.27Å; F117-Y153 HydrophobicContact CD1-CE1 4.18Å; F117-W154 HydrophobicContact CB-CH2 3.87Å; F117-W154 HydrophobicContact CB-CZ2 4.48Å; F117-W154 AromaticContact CD1-CH2 3.76Å; F117-W154 HydrophobicContact CD1-CH2 3.76Å; F117-W154 AromaticContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD2-CH2 4.03Å; F117-W154 HydrophobicContact CD2-CZ3 4.38Å; F117-W154 HydrophobicContact CE1-CH2 4.28Å; F117-W154 AromaticContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE2-CZ3 4.45Å; F117-W154 AromaticContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CZ3 4.12Å; F117-W154 HydrophobicContact CZ-CZ3 4.25Å |
| 118 | D | 93.9 | Very high | 87.6 | Confident | 119 Ų | 119 | 38.7 Ų | 38.7 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | trans | -81.8 | 65.8 | 177.7 | -166.3 | 19.6 | 0 | 0 | 0 | 110.8 | D106 F116 | D106-D118 PolarHBondContact OD2-N 2.93Å; F116-D118 HydrophobicContact CE1-CB 3.96Å; F116-D118 HydrophobicContact CZ-CB 4.29Å | ||
| 119 | R | 92.9 | Very high | 87.2 | Confident | 69 Ų | 69 | 40.4 Ų | 40.4 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -131.2 | 170.2 | -175.7 | -59.4 | -62.3 | -61.8 | -164.9 | 1.4 | 112 | V69 F117 P121 E150 Y153 W154 | V69-R119 HydrophobicContact CG1-CB 3.9Å; F117-R119 HydrophobicContact CB-CG 4.39Å; F117-R119 PolarHBondContact O-N 3.27Å; R119-P121 VanDerWaalsContact O-CD 3.24Å; R119-P121 WeakPolarHBondContact O-CD 3.43Å; R119-E150 IonicContact CZ-OE1 2.92Å; R119-E150 VanDerWaalsContact CZ-OE1 3.23Å; R119-E150 IonicContact NE-OE1 3.55Å; R119-E150 PolarHBondContact NE-OE1 3.36Å; R119-E150 IonicContact NE-OE2 3.81Å; R119-E150 IonicContact NH2-OE1 3.6Å; R119-E150 PolarHBondContact NH2-OE1 3.28Å; R119-Y153 HydrophobicContact CG-CD1 4.02Å; R119-Y153 HydrophobicContact CG-CE1 3.53Å; R119-Y153 HydrophobicContact CG-CE2 4.42Å; R119-W154 HydrophobicContact CB-CZ2 4.18Å; R119-W154 HydrophobicContact CG-CZ2 4.22Å |
| 120 | N | 88.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 37.8 Ų | 37.8 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | trans | -69 | 114.6 | -177.9 | -173.6 | -28.9 | 0 | 0 | 0 | 111.7 | G122 A123 F124 | N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 3.36Å; N120-G122 WeakPolarHBondContact OD1-CA 3.42Å; N120-G122 PolarHBondContact OD1-N 2.85Å; N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 2.95Å; N120-A123 PolarHBondContact OD1-N 2.68Å; N120-F124 PolarHBondContact O-N 2.8Å; N120-F124 VanDerWaalsContact O-N 3.11Å | ||
| 121 | P | 88.5 | Confident | 87 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -27.7 | -178.6 | 23.1 | -31.2 | 0 | 0 | 0 | 113.7 | I72 R119 G125 | I72-P121 HydrophobicContact CB-CB 4.32Å; I72-P121 HydrophobicContact CD1-CB 3.51Å; I72-P121 HydrophobicContact CD1-CG 4.09Å; I72-P121 HydrophobicContact CG1-CB 3.84Å; I72-P121 HydrophobicContact CG1-CG 4.42Å; R119-P121 VanDerWaalsContact O-CD 3.24Å; R119-P121 WeakPolarHBondContact O-CD 3.43Å; P121-G125 PolarHBondContact O-N 3.24Å |
| 122 | G | 85.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 41% | 0.412 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | N120 G125 L139 | N120-G122 VanDerWaalsContact C-N 3.27Å; N120-G122 PolarHBondContact O-N 3.36Å; N120-G122 WeakPolarHBondContact OD1-CA 3.42Å; N120-G122 PolarHBondContact OD1-N 2.85Å; G122-G125 PolarHBondContact O-N 2.87Å; G122-L139 VanDerWaalsContact O-CD1 3.27Å; G122-L139 WeakPolarHBondContact O-CD1 3.49Å |
| 123 | A | 87.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N120 G125 T126 I127 M142 E150 | N120-A123 HydrophobicContact CB-CB 4.16Å; N120-A123 PolarHBondContact O-N 2.95Å; N120-A123 PolarHBondContact OD1-N 2.68Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.26Å; A123-T126 VanDerWaalsContact O-CB 3.26Å; A123-T126 WeakPolarHBondContact O-CB 3.25Å; A123-T126 PolarHBondContact O-N 3.08Å; A123-I127 PolarHBondContact O-N 2.79Å; A123-M142 HydrophobicContact CB-CE 4.13Å; A123-M142 HydrophobicContact CB-SD 3.55Å; A123-M142 VanDerWaalsContact CB-SD 3.55Å; A123-E150 HydrophobicContact CB-CB 4.15Å; A123-E150 HydrophobicContact CB-CG 3.58Å |
| 124 | F | 89.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -32.2 | 179.8 | -172 | -105.8 | 0 | 0 | 0 | 113.3 | I67 V69 Y74 L89 N120 T126 I127 L128 W154 | I67-F124 HydrophobicContact CG2-CE1 4.29Å; I67-F124 HydrophobicContact CG2-CZ 3.94Å; V69-F124 HydrophobicContact CB-CB 4.24Å; V69-F124 HydrophobicContact CB-CD1 3.99Å; V69-F124 HydrophobicContact CB-CG 4.06Å; V69-F124 HydrophobicContact CG1-CB 3.86Å; V69-F124 HydrophobicContact CG1-CG 4.08Å; V69-F124 HydrophobicContact CG2-CB 4.32Å; V69-F124 HydrophobicContact CG2-CD1 3.48Å; V69-F124 VanDerWaalsContact CG2-CD1 3.48Å; V69-F124 HydrophobicContact CG2-CD2 3.93Å; V69-F124 HydrophobicContact CG2-CE1 3.62Å; V69-F124 HydrophobicContact CG2-CE2 4.05Å; V69-F124 HydrophobicContact CG2-CG 3.63Å; V69-F124 HydrophobicContact CG2-CZ 3.9Å; Y74-F124 AromaticContact CD2-CD1 3.8Å; Y74-F124 HydrophobicContact CD2-CD1 3.8Å; Y74-F124 AromaticContact CD2-CE1 3.57Å; Y74-F124 HydrophobicContact CD2-CE1 3.57Å; Y74-F124 AromaticContact CE2-CD1 3.49Å; Y74-F124 HydrophobicContact CE2-CD1 3.49Å; Y74-F124 VanDerWaalsContact CE2-CD1 3.49Å; Y74-F124 AromaticContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CE2-CE1 3.79Å; Y74-F124 HydrophobicContact CG-CE1 4.05Å; Y74-F124 AromaticContact CZ-CD1 3.93Å; L89-F124 HydrophobicContact CD1-CE2 3.75Å; L89-F124 HydrophobicContact CD1-CZ 3.81Å; N120-F124 PolarHBondContact O-N 2.8Å; N120-F124 VanDerWaalsContact O-N 3.11Å; F124-T126 PolarHBondContact O-N 3.43Å; F124-I127 HydrophobicContact CD2-CB 4.32Å; F124-I127 HydrophobicContact CD2-CG2 4.16Å; F124-I127 HydrophobicContact CE2-CG2 4.19Å; F124-I127 PolarHBondContact O-N 2.76Å; F124-L128 HydrophobicContact CE1-CB 4.35Å; F124-L128 HydrophobicContact CE1-CD1 4.34Å; F124-L128 VanDerWaalsContact O-CB 3.23Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.47Å; F124-W154 HydrophobicContact CD2-CD2 4.11Å; F124-W154 AromaticContact CD2-CE2 3.57Å; F124-W154 HydrophobicContact CD2-CE3 4.39Å; F124-W154 AromaticContact CD2-CH2 3.66Å; F124-W154 HydrophobicContact CD2-CH2 3.66Å; F124-W154 AromaticContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ3 4.2Å; F124-W154 HydrophobicContact CE2-CD2 4.21Å; F124-W154 HydrophobicContact CE2-CE3 4.06Å; F124-W154 AromaticContact CE2-CH2 3.59Å; F124-W154 HydrophobicContact CE2-CH2 3.59Å; F124-W154 AromaticContact CE2-CZ2 3.77Å; F124-W154 HydrophobicContact CE2-CZ2 3.77Å; F124-W154 AromaticContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å |
| 125 | G | 87 | Confident | 85.7 | Confident | 26 Ų | 26 | 32.6 Ų | 32.6 | 27% | 0.268 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.3 | -32.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P121 G122 A123 T129 | P121-G125 PolarHBondContact O-N 3.24Å; G122-G125 PolarHBondContact O-N 2.87Å; A123-G125 VanDerWaalsContact C-N 3.25Å; A123-G125 PolarHBondContact O-N 3.26Å; G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 VanDerWaalsContact O-N 3.15Å; G125-T129 PolarHBondContact O-OG1 3.4Å |
| 126 | T | 86.2 | Confident | 85.3 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 9% | 0.086 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -75.6 | -45.8 | 176.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | A123 F124 L128 T129 F130 L136 R137 L139 F147 | A123-T126 VanDerWaalsContact O-CB 3.26Å; A123-T126 WeakPolarHBondContact O-CB 3.25Å; A123-T126 PolarHBondContact O-N 3.08Å; F124-T126 PolarHBondContact O-N 3.43Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.96Å; T126-T129 WeakPolarHBondContact O-CA 3.26Å; T126-T129 WeakPolarHBondContact O-CB 3.25Å; T126-T129 PolarHBondContact O-N 3.09Å; T126-F130 PolarHBondContact O-N 2.7Å; T126-L136 HydrophobicContact CG2-CD1 4.12Å; T126-R137 WeakPolarHBondContact CG2-O 3.34Å; T126-L139 WeakPolarHBondContact OG1-CD1 3.48Å; T126-L139 WeakPolarHBondContact OG1-CG 3.41Å; T126-F147 HydrophobicContact CG2-CE2 4.12Å; T126-F147 HydrophobicContact CG2-CZ 4.05Å |
| 127 | I | 88.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.2 | -42.3 | 175.2 | -71.8 | 145.1 | 0 | 0 | 0 | 110.7 | A123 F124 T129 F130 L131 E150 W154 I156 | A123-I127 PolarHBondContact O-N 2.79Å; F124-I127 HydrophobicContact CD2-CB 4.32Å; F124-I127 HydrophobicContact CD2-CG2 4.16Å; F124-I127 HydrophobicContact CE2-CG2 4.19Å; F124-I127 PolarHBondContact O-N 2.76Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.2Å; I127-F130 CarbonylContact O-C 3.55Å; I127-F130 WeakPolarHBondContact O-CA 3.48Å; I127-F130 VanDerWaalsContact O-CB 3.31Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 2.92Å; I127-F130 VanDerWaalsContact O-N 3.09Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.12Å; I127-L131 PolarHBondContact O-N 2.89Å; I127-E150 HydrophobicContact CD1-CB 4.26Å; I127-W154 HydrophobicContact CD1-CG 3.86Å; I127-W154 HydrophobicContact CG2-CB 4.37Å; I127-W154 HydrophobicContact CG2-CG 4.23Å; I127-I156 HydrophobicContact CB-CD1 4.28Å; I127-I156 HydrophobicContact CG1-CD1 4.08Å; I127-I156 HydrophobicContact CG2-CD1 3.54Å |
| 128 | L | 86.3 | Confident | 84.1 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 174.5 | -171.9 | 66.5 | 0 | 0 | 0 | 112.2 | A43 Y74 L76 F124 T126 F130 L131 R132 | A43-L128 HydrophobicContact CB-CD1 4.04Å; Y74-L128 HydrophobicContact CD1-CD2 3.19Å; Y74-L128 HydrophobicContact CE1-CD2 3.51Å; Y74-L128 HydrophobicContact CG-CD2 3.9Å; L76-L128 HydrophobicContact CD1-CD1 3.91Å; L76-L128 HydrophobicContact CD2-CD1 3.74Å; L76-L128 HydrophobicContact CG-CD1 4.12Å; F124-L128 HydrophobicContact CE1-CB 4.35Å; F124-L128 HydrophobicContact CE1-CD1 4.34Å; F124-L128 VanDerWaalsContact O-CB 3.23Å; F124-L128 WeakPolarHBondContact O-CB 3.48Å; F124-L128 PolarHBondContact O-N 3.47Å; T126-L128 VanDerWaalsContact C-N 3.27Å; T126-L128 PolarHBondContact O-N 2.96Å; L128-F130 VanDerWaalsContact C-N 3.32Å; L128-L131 PolarHBondContact O-N 3.43Å; L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 WeakPolarHBondContact O-CG 3.19Å; L128-R132 PolarHBondContact O-N 3.28Å |
| 129 | T | 82.4 | Confident | 83.3 | Confident | 72 Ų | 72 | 35.9 Ų | 35.9 | 44% | 0.442 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 173.6 | -58 | 0 | 0 | 0 | 0 | 111.1 | G125 T126 I127 R132 A133 | G125-T129 PolarHBondContact O-N 3.47Å; G125-T129 VanDerWaalsContact O-N 3.15Å; G125-T129 PolarHBondContact O-OG1 3.4Å; T126-T129 WeakPolarHBondContact O-CA 3.26Å; T126-T129 WeakPolarHBondContact O-CB 3.25Å; T126-T129 PolarHBondContact O-N 3.09Å; I127-T129 VanDerWaalsContact C-N 3.3Å; I127-T129 PolarHBondContact O-N 3.2Å; T129-R132 PolarHBondContact O-N 3.43Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.32Å |
| 130 | F | 84.5 | Confident | 82.1 | Confident | 3 Ų | 3 | 42.1 Ų | 42.1 | 1% | 0.013 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -49.8 | 171.9 | 165.4 | -105.2 | 0 | 0 | 0 | 111.9 | F84 T126 I127 L128 R132 A133 G134 K135 L136 I156 H160 | F84-F130 HydrophobicContact CD1-CE1 4.06Å; F84-F130 HydrophobicContact CD1-CZ 4.03Å; F84-F130 AromaticContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE1 3.93Å; F84-F130 HydrophobicContact CE1-CE2 4.25Å; F84-F130 AromaticContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CE1-CZ 3.59Å; F84-F130 HydrophobicContact CZ-CZ 4.34Å; T126-F130 PolarHBondContact O-N 2.7Å; I127-F130 CarbonylContact O-C 3.55Å; I127-F130 WeakPolarHBondContact O-CA 3.48Å; I127-F130 VanDerWaalsContact O-CB 3.31Å; I127-F130 WeakPolarHBondContact O-CB 3.43Å; I127-F130 PolarHBondContact O-N 2.92Å; I127-F130 VanDerWaalsContact O-N 3.09Å; L128-F130 VanDerWaalsContact C-N 3.32Å; F130-R132 PolarHBondContact O-N 3.18Å; F130-A133 PolarHBondContact O-N 3.48Å; F130-G134 VanDerWaalsContact O-CA 3.22Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 3.5Å; F130-K135 WeakPolarHBondContact CA-O 3.33Å; F130-L136 HydrophobicContact CB-CB 4.1Å; F130-L136 HydrophobicContact CB-CD1 3.64Å; F130-L136 HydrophobicContact CB-CG 4.48Å; F130-L136 HydrophobicContact CD2-CB 3.81Å; F130-L136 HydrophobicContact CG-CB 4.14Å; F130-L136 HydrophobicContact CG-CD1 4.09Å; F130-I156 HydrophobicContact CD1-CD1 3.79Å; F130-I156 HydrophobicContact CD1-CG1 4.3Å; F130-I156 HydrophobicContact CD1-CG2 4.13Å; F130-I156 HydrophobicContact CE1-CD1 4.04Å; F130-I156 HydrophobicContact CE1-CG1 4.04Å; F130-I156 HydrophobicContact CE1-CG2 3.78Å; F130-I156 HydrophobicContact CZ-CG2 4.17Å; F130-H160 HydrophobicContact CD2-CB 4.24Å; F130-H160 HydrophobicContact CE2-CB 3.54Å; F130-H160 AromaticContact CE2-CD2 3.7Å; F130-H160 AromaticContact CE2-CG 3.68Å; F130-H160 HydrophobicContact CZ-CB 3.98Å; F130-H160 AromaticContact CZ-CD2 3.71Å; F130-H160 AromaticContact CZ-CG 3.69Å |
| 131 | L | 80.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.1 | -31.3 | 176.5 | -66.1 | 172.4 | 0 | 0 | 0 | 112.3 | T80 F84 L89 I127 L128 | T80-L131 WeakPolarHBondContact CG2-O 3.2Å; F84-L131 HydrophobicContact CB-CD2 4.05Å; F84-L131 HydrophobicContact CD2-CD2 3.6Å; F84-L131 HydrophobicContact CE2-CD2 4.2Å; F84-L131 HydrophobicContact CG-CD2 3.84Å; L89-L131 HydrophobicContact CD1-CD1 3.71Å; I127-L131 HydrophobicContact CG2-CD1 4.29Å; I127-L131 WeakPolarHBondContact O-CG 3.12Å; I127-L131 PolarHBondContact O-N 2.89Å; L128-L131 PolarHBondContact O-N 3.43Å |
| 132 | R | 75.9 | Confident | 80.9 | Confident | 54 Ų | 54 | 47 Ų | 47 | 20% | 0.204 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -76.3 | -53.6 | 175.4 | -73.6 | 173.1 | -168.5 | 178.6 | 4.5 | 112.3 | F39 A43 L128 T129 F130 | F39-R132 WeakPolarHBondContact CB-O 3.23Å; F39-R132 WeakPolarHBondContact CD1-O 3.19Å; F39-R132 WeakPolarHBondContact CE1-O 3.29Å; F39-R132 VanDerWaalsContact CG-O 3.29Å; F39-R132 WeakPolarHBondContact CG-O 3.44Å; A43-R132 VanDerWaalsContact C-CZ 3.49Å; A43-R132 HydrophobicContact CB-CG 4.12Å; A43-R132 PolarHBondContact O-NE 2.91Å; A43-R132 PolarHBondContact O-NH1 3.01Å; A43-R132 PolarHBondContact O-NH2 2.73Å; L128-R132 WeakPolarHBondContact O-CB 3.42Å; L128-R132 WeakPolarHBondContact O-CG 3.19Å; L128-R132 PolarHBondContact O-N 3.28Å; T129-R132 PolarHBondContact O-N 3.43Å; F130-R132 PolarHBondContact O-N 3.18Å |
| 133 | A | 72 | Confident | 80.7 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 22% | 0.215 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -109.3 | -3.5 | -162.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F39 T129 F130 K135 | F39-A133 HydrophobicContact CB-CB 4.4Å; F39-A133 HydrophobicContact CD2-CB 4.26Å; F39-A133 HydrophobicContact CG-CB 4.28Å; T129-A133 WeakPolarHBondContact O-CB 3.36Å; T129-A133 PolarHBondContact O-N 3.32Å; F130-A133 PolarHBondContact O-N 3.48Å; A133-K135 PolarHBondContact O-N 3.33Å |
| 134 | G | 72.9 | Confident | 80.6 | Confident | 44 Ų | 44 | 49.1 Ų | 49.1 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | S | Bend | trans | 65.5 | 15.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F130 | F130-G134 VanDerWaalsContact O-CA 3.22Å; F130-G134 WeakPolarHBondContact O-CA 3.44Å; F130-G134 PolarHBondContact O-N 3.5Å |
| 135 | K | 76.6 | Confident | 80.2 | Confident | 38 Ų | 38 | 51.2 Ų | 51.2 | 17% | 0.165 | 26% | 0.264 | C | S | . | . | trans | -123.1 | 117.1 | -178.8 | -65.1 | -167.8 | 179.4 | -167.8 | 0 | 110.5 | R32 F130 A133 | R32-K135 PolarHBondContact O-NZ 2.94Å; F130-K135 WeakPolarHBondContact CA-O 3.33Å; A133-K135 PolarHBondContact O-N 3.33Å | ||
| 136 | L | 83.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | B | Isolated β-bridge | trans | -97.6 | 129.4 | 175.5 | -169.9 | 69.1 | 0 | 0 | 0 | 109.2 | T126 F130 F147 L151 I156 H160 L161 D162 | T126-L136 HydrophobicContact CG2-CD1 4.12Å; F130-L136 HydrophobicContact CB-CB 4.1Å; F130-L136 HydrophobicContact CB-CD1 3.64Å; F130-L136 HydrophobicContact CB-CG 4.48Å; F130-L136 HydrophobicContact CD2-CB 3.81Å; F130-L136 HydrophobicContact CG-CB 4.14Å; F130-L136 HydrophobicContact CG-CD1 4.09Å; L136-F147 HydrophobicContact CD1-CZ 4.09Å; L136-F147 HydrophobicContact CG-CZ 4.3Å; L136-L151 HydrophobicContact CD1-CD2 4.16Å; L136-L151 HydrophobicContact CD2-CD1 4.26Å; L136-L151 HydrophobicContact CD2-CD2 3.62Å; L136-L151 HydrophobicContact CG-CD2 4.45Å; L136-I156 HydrophobicContact CD2-CG2 3.98Å; L136-H160 HydrophobicContact CB-CB 4.3Å; L136-H160 WeakPolarHBondContact CB-O 3.29Å; L136-H160 HydrophobicContact CD2-CB 4.3Å; L136-L161 HydrophobicContact CB-CD2 4.39Å; L136-L161 HydrophobicContact CD2-CD2 3.98Å; L136-L161 HydrophobicContact CD2-CG 3.87Å; L136-L161 HydrophobicContact CG-CD2 3.9Å; L136-L161 HydrophobicContact CG-CG 4.3Å; L136-D162 PolarHBondContact O-N 3Å |
| 137 | R | 83.2 | Confident | 80.3 | Confident | 148 Ų | 148 | 51.2 Ų | 51.2 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | trans | -133 | 146.1 | 179.1 | -62 | -171.2 | -167.6 | 167.7 | 10.7 | 110.1 | T126 D162 | T126-R137 WeakPolarHBondContact CG2-O 3.34Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 PolarHBondContact NE-OD2 3.09Å | ||
| 138 | L | 80.5 | Confident | 80.3 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | trans | -78.1 | 130.1 | 176.1 | -172.1 | 67.4 | 0 | 0 | 0 | 110.7 | F147 C165 | L138-F147 HydrophobicContact CD1-CB 3.99Å; L138-F147 HydrophobicContact CD1-CD1 3.27Å; L138-F147 HydrophobicContact CD1-CE1 3.78Å; L138-F147 HydrophobicContact CD1-CG 3.72Å; L138-C165 HydrophobicContact CB-CB 4.19Å; L138-C165 PolarHBondContact N-SG 2.87Å | ||
| 139 | L | 76.2 | Confident | 80.4 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 38% | 0.382 | 30% | 0.297 | S | S | . | . | trans | -69.4 | 134.3 | 169.4 | -93.5 | 155.8 | 0 | 0 | 0 | 109.9 | G122 T126 E141 M142 | G122-L139 VanDerWaalsContact O-CD1 3.27Å; G122-L139 WeakPolarHBondContact O-CD1 3.49Å; T126-L139 WeakPolarHBondContact OG1-CD1 3.48Å; T126-L139 WeakPolarHBondContact OG1-CG 3.41Å; L139-E141 PolarHBondContact O-N 3.16Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CB-CE 4.15Å; L139-M142 HydrophobicContact CD1-CE 4.21Å; L139-M142 PolarHBondContact O-N 2.86Å | ||
| 140 | R | 68.4 | Low | 80.9 | Confident | 200 Ų | 200 | 56 Ų | 56 | 76% | 0.755 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -30 | -173.4 | -160.1 | 176.2 | 92.7 | 169.9 | 6.5 | 113.7 | ||
| 141 | E | 72.7 | Confident | 81.1 | Confident | 184 Ų | 184 | 55.9 Ų | 55.9 | 86% | 0.86 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -5.8 | -173.8 | -65.7 | 173.9 | -176.4 | 0 | 0 | 113.4 | L139 | L139-E141 PolarHBondContact O-N 3.16Š|
| 142 | M | 78.6 | Confident | 81.7 | Confident | 28 Ų | 28 | 61.8 Ų | 61.8 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -94.4 | 134.3 | -178 | -174.9 | 164.5 | 46.2 | 0 | 0 | 111.1 | A123 L139 F147 | A123-M142 HydrophobicContact CB-CE 4.13Å; A123-M142 HydrophobicContact CB-SD 3.55Å; A123-M142 VanDerWaalsContact CB-SD 3.55Å; L139-M142 HydrophobicContact CB-CB 4.14Å; L139-M142 HydrophobicContact CB-CE 4.15Å; L139-M142 HydrophobicContact CD1-CE 4.21Å; L139-M142 PolarHBondContact O-N 2.86Å; M142-F147 HydrophobicContact CE-CB 3.83Å; M142-F147 HydrophobicContact CE-CD2 3.03Å; M142-F147 HydrophobicContact CE-CE2 3.63Å; M142-F147 HydrophobicContact CE-CG 3.63Å; M142-F147 HydrophobicContact CG-CB 4.24Å; M142-F147 HydrophobicContact SD-CB 4.1Å; M142-F147 HydrophobicContact SD-CD2 3.96Å; M142-F147 HydrophobicContact SD-CG 4.45Å |
| 143 | C | 81.6 | Confident | 82.4 | Confident | 75 Ų | 75 | 60.8 Ų | 60.8 | 51% | 0.507 | 31% | 0.305 | S | S | . | . | trans | -59.7 | 136.7 | 172.2 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L145 S146 F147 | C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.05Å; C143-S146 PolarHBondContact O-N 2.94Å; C143-F147 PolarHBondContact O-N 3.41Å | ||
| 144 | A | 84.9 | Confident | 83.4 | Confident | 10 Ų | 10 | 59.6 Ų | 59.6 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -37.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F147 Q148 Y169 K172 I173 | A144-F147 PolarHBondContact O-N 2.79Å; A144-Q148 PolarHBondContact O-N 3.26Å; A144-Y169 HydrophobicContact CB-CD2 4.24Å; A144-K172 HydrophobicContact CB-CB 3.6Å; A144-K172 HydrophobicContact CB-CG 4.38Å; A144-I173 HydrophobicContact CB-CD1 4.45Å |
| 145 | L | 82.8 | Confident | 84.2 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 24% | 0.236 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 178.1 | -61.7 | 167.7 | 0 | 0 | 0 | 111.9 | C143 F147 Q148 E149 I173 F176 | C143-L145 VanDerWaalsContact C-N 3.29Å; C143-L145 PolarHBondContact O-N 3.05Å; L145-F147 PolarHBondContact O-N 2.94Å; L145-Q148 VanDerWaalsContact O-CB 3.31Å; L145-Q148 WeakPolarHBondContact O-CB 3.38Å; L145-Q148 PolarHBondContact O-N 2.76Å; L145-E149 PolarHBondContact O-N 2.8Å; L145-I173 HydrophobicContact CD2-CD1 3.74Å; L145-F176 HydrophobicContact CD1-CB 4.44Å; L145-F176 HydrophobicContact CD1-CD1 3.88Å; L145-F176 HydrophobicContact CD1-CD2 3.54Å; L145-F176 HydrophobicContact CD1-CE1 3.91Å; L145-F176 HydrophobicContact CD1-CE2 3.59Å; L145-F176 HydrophobicContact CD1-CG 3.67Å; L145-F176 HydrophobicContact CD1-CZ 3.77Å; L145-F176 HydrophobicContact CD2-CB 4.26Å; L145-F176 HydrophobicContact CD2-CD1 3.5Å; L145-F176 HydrophobicContact CD2-CE1 3.92Å; L145-F176 HydrophobicContact CD2-CG 3.86Å; L145-F176 HydrophobicContact CG-CD1 4.3Å; L145-F176 HydrophobicContact CG-CG 4.27Å |
| 146 | S | 85.4 | Confident | 84.8 | Confident | 40 Ų | 40 | 58 Ų | 58 | 28% | 0.28 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.4 | -35.8 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | C143 E150 | C143-S146 PolarHBondContact O-N 2.94Å; S146-E150 WeakPolarHBondContact O-CG 3.33Å; S146-E150 PolarHBondContact O-N 2.68Å |
| 147 | F | 88.6 | Confident | 84.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -69.7 | -36.5 | 174.3 | -171.1 | -123.6 | 0 | 0 | 0 | 113.2 | T126 L136 L138 M142 C143 A144 L145 E149 E150 L151 L161 Y169 | T126-F147 HydrophobicContact CG2-CE2 4.12Å; T126-F147 HydrophobicContact CG2-CZ 4.05Å; L136-F147 HydrophobicContact CD1-CZ 4.09Å; L136-F147 HydrophobicContact CG-CZ 4.3Å; L138-F147 HydrophobicContact CD1-CB 3.99Å; L138-F147 HydrophobicContact CD1-CD1 3.27Å; L138-F147 HydrophobicContact CD1-CE1 3.78Å; L138-F147 HydrophobicContact CD1-CG 3.72Å; M142-F147 HydrophobicContact CE-CB 3.83Å; M142-F147 HydrophobicContact CE-CD2 3.03Å; M142-F147 HydrophobicContact CE-CE2 3.63Å; M142-F147 HydrophobicContact CE-CG 3.63Å; M142-F147 HydrophobicContact CG-CB 4.24Å; M142-F147 HydrophobicContact SD-CB 4.1Å; M142-F147 HydrophobicContact SD-CD2 3.96Å; M142-F147 HydrophobicContact SD-CG 4.45Å; C143-F147 PolarHBondContact O-N 3.41Å; A144-F147 PolarHBondContact O-N 2.79Å; L145-F147 PolarHBondContact O-N 2.94Å; F147-E149 VanDerWaalsContact C-N 3.35Å; F147-E150 PolarHBondContact O-N 2.88Å; F147-L151 HydrophobicContact CD1-CD1 3.96Å; F147-L151 HydrophobicContact CD1-CG 4.22Å; F147-L151 HydrophobicContact CE1-CD1 3.69Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 3.99Å; F147-L151 HydrophobicContact CE2-CD2 4.18Å; F147-L151 HydrophobicContact CE2-CG 4.38Å; F147-L151 HydrophobicContact CZ-CD1 4.25Å; F147-L151 HydrophobicContact CZ-CD2 3.84Å; F147-L151 HydrophobicContact CZ-CG 4.11Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.93Å; F147-L161 HydrophobicContact CE1-CD2 4.14Å; F147-Y169 HydrophobicContact CD1-CD2 4.37Å; F147-Y169 HydrophobicContact CD1-CE2 4.41Å |
| 148 | Q | 88.9 | Confident | 85 | Confident | 51 Ų | 51 | 56.2 Ų | 56.2 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 173.6 | -178.6 | 170.6 | 46.8 | 0 | 0 | 111.2 | A144 L145 E150 L151 L152 E158 Y169 I173 | A144-Q148 PolarHBondContact O-N 3.26Å; L145-Q148 VanDerWaalsContact O-CB 3.31Å; L145-Q148 WeakPolarHBondContact O-CB 3.38Å; L145-Q148 PolarHBondContact O-N 2.76Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 3.45Å; Q148-L151 PolarHBondContact O-N 3.1Å; Q148-L152 HydrophobicContact CG-CD1 4.06Å; Q148-L152 HydrophobicContact CG-CG 4.49Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CG 3.35Å; Q148-L152 PolarHBondContact O-N 2.83Å; Q148-E158 PolarHBondContact NE2-OE1 2.95Å; Q148-Y169 HydrophobicContact CB-CE2 4.09Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.4Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.33Å; Q148-Y169 PolarHBondContact NE2-OH 2.89Å; Q148-I173 HydrophobicContact CB-CD1 4.41Å |
| 149 | E | 88.9 | Confident | 85.1 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -58.2 | -40.7 | 176.2 | -69.3 | 175 | -179.5 | 0 | 0 | 111.9 | L145 F147 Y153 | L145-E149 PolarHBondContact O-N 2.8Å; F147-E149 VanDerWaalsContact C-N 3.35Å; E149-Y153 VanDerWaalsContact O-CB 3.25Å; E149-Y153 WeakPolarHBondContact O-CB 3.23Å; E149-Y153 PolarHBondContact O-N 3.19Å |
| 150 | E | 91.8 | Very high | 85.5 | Confident | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.3 | -47.6 | 175 | -68.7 | -71.1 | 142.2 | 0 | 0 | 111.1 | R119 A123 I127 S146 F147 Q148 L152 Y153 W154 | R119-E150 IonicContact CZ-OE1 2.92Å; R119-E150 VanDerWaalsContact CZ-OE1 3.23Å; R119-E150 IonicContact NE-OE1 3.55Å; R119-E150 PolarHBondContact NE-OE1 3.36Å; R119-E150 IonicContact NE-OE2 3.81Å; R119-E150 IonicContact NH2-OE1 3.6Å; R119-E150 PolarHBondContact NH2-OE1 3.28Å; A123-E150 HydrophobicContact CB-CB 4.15Å; A123-E150 HydrophobicContact CB-CG 3.58Å; I127-E150 HydrophobicContact CD1-CB 4.26Å; S146-E150 WeakPolarHBondContact O-CG 3.33Å; S146-E150 PolarHBondContact O-N 2.68Å; F147-E150 PolarHBondContact O-N 2.88Å; Q148-E150 VanDerWaalsContact C-N 3.27Å; Q148-E150 PolarHBondContact O-N 3.45Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.38Å; E150-Y153 WeakPolarHBondContact O-CB 3.44Å; E150-Y153 PolarHBondContact O-N 3.17Å; E150-Y153 VanDerWaalsContact O-N 3.15Å; E150-W154 PolarHBondContact O-N 2.82Å; E150-W154 PolarHBondContact OE2-NE1 3.23Å |
| 151 | L | 89.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 177.4 | -69.2 | -178.2 | 0 | 0 | 0 | 112.4 | L136 F147 Q148 G155 I156 E158 | L136-L151 HydrophobicContact CD1-CD2 4.16Å; L136-L151 HydrophobicContact CD2-CD1 4.26Å; L136-L151 HydrophobicContact CD2-CD2 3.62Å; L136-L151 HydrophobicContact CG-CD2 4.45Å; F147-L151 HydrophobicContact CD1-CD1 3.96Å; F147-L151 HydrophobicContact CD1-CG 4.22Å; F147-L151 HydrophobicContact CE1-CD1 3.69Å; F147-L151 HydrophobicContact CE1-CD2 4.15Å; F147-L151 HydrophobicContact CE1-CG 3.99Å; F147-L151 HydrophobicContact CE2-CD2 4.18Å; F147-L151 HydrophobicContact CE2-CG 4.38Å; F147-L151 HydrophobicContact CZ-CD1 4.25Å; F147-L151 HydrophobicContact CZ-CD2 3.84Å; F147-L151 HydrophobicContact CZ-CG 4.11Å; F147-L151 WeakPolarHBondContact O-CG 3.44Å; F147-L151 PolarHBondContact O-N 2.93Å; Q148-L151 PolarHBondContact O-N 3.1Å; L151-G155 PolarHBondContact O-N 3.42Å; L151-I156 HydrophobicContact CD2-CB 4.12Å; L151-I156 HydrophobicContact CD2-CG2 4.1Å; L151-I156 PolarHBondContact O-N 3.07Å; L151-E158 HydrophobicContact CD1-CG 4.38Å |
| 152 | L | 91.3 | Very high | 86.8 | Confident | 126 Ų | 126 | 45 Ų | 45 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.2 | -46.7 | 174.6 | -71.2 | 170.9 | 0 | 0 | 0 | 111.4 | Q148 E150 W154 G155 | Q148-L152 HydrophobicContact CG-CD1 4.06Å; Q148-L152 HydrophobicContact CG-CG 4.49Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CG 3.35Å; Q148-L152 PolarHBondContact O-N 2.83Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.38Å; L152-W154 PolarHBondContact O-N 3.39Å; L152-G155 PolarHBondContact O-N 3.44Å |
| 153 | Y | 92.4 | Very high | 86.9 | Confident | 32 Ų | 32 | 46.4 Ų | 46.4 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 178.5 | -179 | -94.6 | 0 | 0 | 0 | 111.9 | R88 F117 R119 E149 E150 G155 | R88-Y153 PolarHBondContact NE-O 3.39Å; R88-Y153 PolarHBondContact NH1-OH 3.35Å; F117-Y153 HydrophobicContact CD1-CE1 4.18Å; R119-Y153 HydrophobicContact CG-CD1 4.02Å; R119-Y153 HydrophobicContact CG-CE1 3.53Å; R119-Y153 HydrophobicContact CG-CE2 4.42Å; E149-Y153 VanDerWaalsContact O-CB 3.25Å; E149-Y153 WeakPolarHBondContact O-CB 3.23Å; E149-Y153 PolarHBondContact O-N 3.19Å; E150-Y153 WeakPolarHBondContact O-CB 3.44Å; E150-Y153 PolarHBondContact O-N 3.17Å; E150-Y153 VanDerWaalsContact O-N 3.15Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.48Å |
| 154 | W | 92.2 | Very high | 86.9 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.8 | -5 | -178.7 | -62.7 | 105 | 0 | 0 | 0 | 113.6 | V69 T87 R88 L89 F117 R119 F124 I127 E150 L152 I156 | V69-W154 HydrophobicContact CG1-CZ2 4.18Å; V69-W154 HydrophobicContact CG2-CH2 4Å; V69-W154 HydrophobicContact CG2-CZ2 4.29Å; T87-W154 WeakPolarHBondContact CA-O 3.23Å; T87-W154 WeakPolarHBondContact CB-O 3.44Å; R88-W154 PolarHBondContact N-O 3.49Å; L89-W154 HydrophobicContact CD1-CE3 4.34Å; L89-W154 HydrophobicContact CD1-CZ3 4.23Å; L89-W154 HydrophobicContact CD2-CE3 4.19Å; L89-W154 HydrophobicContact CD2-CZ3 3.61Å; L89-W154 HydrophobicContact CG-CE3 3.9Å; L89-W154 HydrophobicContact CG-CZ3 3.82Å; F117-W154 HydrophobicContact CB-CH2 3.87Å; F117-W154 HydrophobicContact CB-CZ2 4.48Å; F117-W154 AromaticContact CD1-CH2 3.76Å; F117-W154 HydrophobicContact CD1-CH2 3.76Å; F117-W154 AromaticContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD1-CZ3 3.91Å; F117-W154 HydrophobicContact CD2-CH2 4.03Å; F117-W154 HydrophobicContact CD2-CZ3 4.38Å; F117-W154 HydrophobicContact CE1-CH2 4.28Å; F117-W154 AromaticContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE1-CZ3 3.97Å; F117-W154 HydrophobicContact CE2-CZ3 4.45Å; F117-W154 AromaticContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CH2 3.61Å; F117-W154 HydrophobicContact CG-CZ3 4.12Å; F117-W154 HydrophobicContact CZ-CZ3 4.25Å; R119-W154 HydrophobicContact CB-CZ2 4.18Å; R119-W154 HydrophobicContact CG-CZ2 4.22Å; F124-W154 HydrophobicContact CD2-CD2 4.11Å; F124-W154 AromaticContact CD2-CE2 3.57Å; F124-W154 HydrophobicContact CD2-CE3 4.39Å; F124-W154 AromaticContact CD2-CH2 3.66Å; F124-W154 HydrophobicContact CD2-CH2 3.66Å; F124-W154 AromaticContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ2 3.33Å; F124-W154 HydrophobicContact CD2-CZ3 4.2Å; F124-W154 HydrophobicContact CE2-CD2 4.21Å; F124-W154 HydrophobicContact CE2-CE3 4.06Å; F124-W154 AromaticContact CE2-CH2 3.59Å; F124-W154 HydrophobicContact CE2-CH2 3.59Å; F124-W154 AromaticContact CE2-CZ2 3.77Å; F124-W154 HydrophobicContact CE2-CZ2 3.77Å; F124-W154 AromaticContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CE2-CZ3 3.76Å; F124-W154 HydrophobicContact CG-CZ2 4.21Å; I127-W154 HydrophobicContact CD1-CG 3.86Å; I127-W154 HydrophobicContact CG2-CB 4.37Å; I127-W154 HydrophobicContact CG2-CG 4.23Å; E150-W154 PolarHBondContact O-N 2.82Å; E150-W154 PolarHBondContact OE2-NE1 3.23Å; L152-W154 PolarHBondContact O-N 3.39Å; W154-I156 HydrophobicContact CB-CD1 4.03Å; W154-I156 HydrophobicContact CB-CG1 4.35Å |
| 155 | G | 88.9 | Confident | 86.9 | Confident | 37 Ų | 37 | 48 Ų | 48 | 38% | 0.381 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L151 L152 Y153 | L151-G155 PolarHBondContact O-N 3.42Å; L152-G155 PolarHBondContact O-N 3.44Å; Y153-G155 VanDerWaalsContact C-N 3.25Å; Y153-G155 PolarHBondContact O-N 3.48Å |
| 156 | I | 90.1 | Very high | 87 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | trans | -108.1 | 119.2 | -178.7 | -63.4 | 166.6 | 0 | 0 | 0 | 109.2 | T87 I127 F130 L136 L151 W154 | T87-I156 HydrophobicContact CG2-CG1 3.88Å; I127-I156 HydrophobicContact CB-CD1 4.28Å; I127-I156 HydrophobicContact CG1-CD1 4.08Å; I127-I156 HydrophobicContact CG2-CD1 3.54Å; F130-I156 HydrophobicContact CD1-CD1 3.79Å; F130-I156 HydrophobicContact CD1-CG1 4.3Å; F130-I156 HydrophobicContact CD1-CG2 4.13Å; F130-I156 HydrophobicContact CE1-CD1 4.04Å; F130-I156 HydrophobicContact CE1-CG1 4.04Å; F130-I156 HydrophobicContact CE1-CG2 3.78Å; F130-I156 HydrophobicContact CZ-CG2 4.17Å; L136-I156 HydrophobicContact CD2-CG2 3.98Å; L151-I156 HydrophobicContact CD2-CB 4.12Å; L151-I156 HydrophobicContact CD2-CG2 4.1Å; L151-I156 PolarHBondContact O-N 3.07Å; W154-I156 HydrophobicContact CB-CD1 4.03Å; W154-I156 HydrophobicContact CB-CG1 4.35Å | ||
| 157 | A | 86.2 | Confident | 86.9 | Confident | 52 Ų | 52 | 54.9 Ų | 54.9 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | trans | -66.9 | 140.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D159 H160 | A157-D159 PolarHBondContact O-N 3.32Å; A157-D159 VanDerWaalsContact O-N 3.13Å; A157-H160 PolarHBondContact O-N 3.29Å; A157-H160 PolarHBondContact O-ND1 2.86Å | ||
| 158 | E | 85.3 | Confident | 86.5 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.2 | -179.5 | -55.7 | 179.2 | 166.6 | 0 | 0 | 113 | Q148 L151 H160 L161 Y169 | Q148-E158 PolarHBondContact NE2-OE1 2.95Å; L151-E158 HydrophobicContact CD1-CG 4.38Å; E158-H160 PolarHBondContact O-N 2.76Å; E158-H160 VanDerWaalsContact O-N 3.12Å; E158-L161 WeakPolarHBondContact O-CB 3.27Å; E158-L161 PolarHBondContact O-N 3.36Å; E158-L161 VanDerWaalsContact O-N 3.08Å; E158-Y169 HydrophobicContact CB-CE1 4.43Å; E158-Y169 VanDerWaalsContact CD-CE1 3.47Å; E158-Y169 HydrophobicContact CG-CE1 4.08Å; E158-Y169 PolarHBondContact OE1-OH 3.04Å |
| 159 | D | 83 | Confident | 86.3 | Confident | 122 Ų | 122 | 57.5 Ų | 57.5 | 65% | 0.652 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -62.5 | -16.8 | 177.4 | -72.7 | -32.3 | 0 | 0 | 0 | 114.3 | A157 L161 K166 | A157-D159 PolarHBondContact O-N 3.32Å; A157-D159 VanDerWaalsContact O-N 3.13Å; D159-L161 PolarHBondContact O-N 3.26Å; D159-K166 IonicContact OD1-NZ 3.66Å; D159-K166 PolarHBondContact OD1-NZ 2.7Å |
| 160 | H | 83.4 | Confident | 86 | Confident | 89 Ų | 89 | 54.8 Ų | 54.8 | 41% | 0.412 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -78.2 | -7.3 | 176.2 | -61.4 | 97.3 | 0 | 0 | 0 | 113.7 | F130 L136 A157 E158 | F130-H160 HydrophobicContact CD2-CB 4.24Å; F130-H160 HydrophobicContact CE2-CB 3.54Å; F130-H160 AromaticContact CE2-CD2 3.7Å; F130-H160 AromaticContact CE2-CG 3.68Å; F130-H160 HydrophobicContact CZ-CB 3.98Å; F130-H160 AromaticContact CZ-CD2 3.71Å; F130-H160 AromaticContact CZ-CG 3.69Å; L136-H160 HydrophobicContact CB-CB 4.3Å; L136-H160 WeakPolarHBondContact CB-O 3.29Å; L136-H160 HydrophobicContact CD2-CB 4.3Å; A157-H160 PolarHBondContact O-N 3.29Å; A157-H160 PolarHBondContact O-ND1 2.86Å; E158-H160 PolarHBondContact O-N 2.76Å; E158-H160 VanDerWaalsContact O-N 3.12Å |
| 161 | L | 85.8 | Confident | 85.5 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -67 | 131.8 | 176.6 | -78.7 | 162.5 | 0 | 0 | 0 | 111.8 | L136 F147 E158 D159 C165 K166 Y169 | L136-L161 HydrophobicContact CB-CD2 4.39Å; L136-L161 HydrophobicContact CD2-CD2 3.98Å; L136-L161 HydrophobicContact CD2-CG 3.87Å; L136-L161 HydrophobicContact CG-CD2 3.9Å; L136-L161 HydrophobicContact CG-CG 4.3Å; F147-L161 HydrophobicContact CE1-CD2 4.14Å; E158-L161 WeakPolarHBondContact O-CB 3.27Å; E158-L161 PolarHBondContact O-N 3.36Å; E158-L161 VanDerWaalsContact O-N 3.08Å; D159-L161 PolarHBondContact O-N 3.26Å; L161-C165 HydrophobicContact CD2-CB 3.93Å; L161-K166 HydrophobicContact CB-CB 3.76Å; L161-K166 HydrophobicContact CB-CG 4.32Å; L161-Y169 HydrophobicContact CD1-CD1 3.93Å; L161-Y169 HydrophobicContact CD1-CG 3.96Å |
| 162 | D | 83.4 | Confident | 85.1 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | trans | -55.2 | 141.2 | 168.4 | -89.4 | -39.1 | 0 | 0 | 0 | 109.8 | L136 R137 C164 C165 K166 | L136-D162 PolarHBondContact O-N 3Å; R137-D162 IonicContact NE-OD2 3.27Å; R137-D162 PolarHBondContact NE-OD2 3.09Å; D162-C164 VanDerWaalsContact C-N 3.3Å; D162-C164 PolarHBondContact O-N 3.49Å; D162-C165 CarbonylContact O-C 3.56Å; D162-C165 WeakPolarHBondContact O-CA 3.4Å; D162-C165 WeakPolarHBondContact O-CB 3.47Å; D162-C165 PolarHBondContact O-N 3.24Å; D162-K166 PolarHBondContact O-N 3.44Å | ||
| 163 | G | 80.4 | Confident | 84.6 | Confident | 57 Ų | 57 | 58.3 Ų | 58.3 | 59% | 0.588 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -53.1 | -36.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | R167 | G163-R167 WeakPolarHBondContact O-CB 3.48Å; G163-R167 PolarHBondContact O-N 2.83Å |
| 164 | C | 82.1 | Confident | 84 | Confident | 102 Ų | 102 | 62.6 Ų | 62.6 | 69% | 0.689 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -68.6 | -36.7 | 175 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | D162 R168 | D162-C164 VanDerWaalsContact C-N 3.3Å; D162-C164 PolarHBondContact O-N 3.49Å; C164-R168 PolarHBondContact O-N 3.01Å |
| 165 | C | 84.3 | Confident | 83 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 12% | 0.115 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.8 | -40.3 | 176.8 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | L138 L161 D162 R168 Y169 | L138-C165 HydrophobicContact CB-CB 4.19Å; L138-C165 PolarHBondContact N-SG 2.87Å; L161-C165 HydrophobicContact CD2-CB 3.93Å; D162-C165 CarbonylContact O-C 3.56Å; D162-C165 WeakPolarHBondContact O-CA 3.4Å; D162-C165 WeakPolarHBondContact O-CB 3.47Å; D162-C165 PolarHBondContact O-N 3.24Å; C165-R168 PolarHBondContact O-N 2.7Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 3.34Å |
| 166 | K | 85.6 | Confident | 82.3 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 175.8 | -168.1 | 175 | -172.6 | 175.6 | 0 | 111.2 | D159 L161 D162 R168 Y169 L170 | D159-K166 IonicContact OD1-NZ 3.66Å; D159-K166 PolarHBondContact OD1-NZ 2.7Å; L161-K166 HydrophobicContact CB-CB 3.76Å; L161-K166 HydrophobicContact CB-CG 4.32Å; D162-K166 PolarHBondContact O-N 3.44Å; K166-R168 PolarHBondContact O-N 2.78Å; K166-Y169 PolarHBondContact O-N 2.75Å; K166-L170 HydrophobicContact CG-CD1 3.96Å; K166-L170 HydrophobicContact CG-CG 4.36Å; K166-L170 WeakPolarHBondContact O-CB 3.21Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.44Å |
| 167 | R | 81.7 | Confident | 81.5 | Confident | 167 Ų | 167 | 69.2 Ų | 69.2 | 63% | 0.63 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -47.5 | 178 | -171.3 | -179.8 | -69.8 | -174.2 | -4.8 | 111.9 | G163 Q171 | G163-R167 WeakPolarHBondContact O-CB 3.48Å; G163-R167 PolarHBondContact O-N 2.83Å; R167-Q171 VanDerWaalsContact O-CB 3.32Å; R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 PolarHBondContact O-N 3.32Å |
| 168 | R | 80.6 | Confident | 80.9 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 40% | 0.396 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -38.8 | 178.5 | -177.1 | 176.1 | 173.3 | 170.2 | -0.6 | 112.6 | C164 C165 K166 K172 | C164-R168 PolarHBondContact O-N 3.01Å; C165-R168 PolarHBondContact O-N 2.7Å; K166-R168 PolarHBondContact O-N 2.78Å; R168-K172 WeakPolarHBondContact O-CG 3.48Å; R168-K172 PolarHBondContact O-N 2.87Å |
| 169 | Y | 84.8 | Confident | 79.9 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.5 | -54.4 | 176.7 | 170.6 | -97.1 | 0 | 0 | 0 | 110.9 | A144 F147 Q148 E158 L161 C165 K166 Q171 K172 I173 | A144-Y169 HydrophobicContact CB-CD2 4.24Å; F147-Y169 HydrophobicContact CD1-CD2 4.37Å; F147-Y169 HydrophobicContact CD1-CE2 4.41Å; Q148-Y169 HydrophobicContact CB-CE2 4.09Å; Q148-Y169 WeakPolarHBondContact CB-OH 3.4Å; Q148-Y169 WeakPolarHBondContact CG-OH 3.33Å; Q148-Y169 PolarHBondContact NE2-OH 2.89Å; E158-Y169 HydrophobicContact CB-CE1 4.43Å; E158-Y169 VanDerWaalsContact CD-CE1 3.47Å; E158-Y169 HydrophobicContact CG-CE1 4.08Å; E158-Y169 PolarHBondContact OE1-OH 3.04Å; L161-Y169 HydrophobicContact CD1-CD1 3.93Å; L161-Y169 HydrophobicContact CD1-CG 3.96Å; C165-Y169 WeakPolarHBondContact O-CB 3.36Å; C165-Y169 PolarHBondContact O-N 3.34Å; K166-Y169 PolarHBondContact O-N 2.75Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Y169-K172 PolarHBondContact O-N 3.29Å; Y169-I173 HydrophobicContact CD1-CG1 4.35Å; Y169-I173 HydrophobicContact CD2-CG1 4.37Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 4.1Å; Y169-I173 HydrophobicContact CE2-CG1 4Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.93Å |
| 170 | L | 84.1 | Confident | 79.2 | Confident | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 179.7 | -71.4 | 174 | 0 | 0 | 0 | 111.9 | K166 K172 I173 E174 | K166-L170 HydrophobicContact CG-CD1 3.96Å; K166-L170 HydrophobicContact CG-CG 4.36Å; K166-L170 WeakPolarHBondContact O-CB 3.21Å; K166-L170 WeakPolarHBondContact O-CG 3.16Å; K166-L170 PolarHBondContact O-N 3.44Å; L170-K172 PolarHBondContact O-N 3.11Å; L170-I173 PolarHBondContact O-N 3.37Å; L170-I173 VanDerWaalsContact O-N 3.13Å; L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 WeakPolarHBondContact O-CG 3.36Å; L170-E174 PolarHBondContact O-N 2.93Å |
| 171 | Q | 80.9 | Confident | 78.5 | Confident | 81 Ų | 81 | 69.3 Ų | 69.3 | 38% | 0.379 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.7 | -41.7 | 175.4 | -178 | -177 | 3.2 | 0 | 0 | 111.9 | R167 Y169 E175 | R167-Q171 VanDerWaalsContact O-CB 3.32Å; R167-Q171 WeakPolarHBondContact O-CB 3.3Å; R167-Q171 PolarHBondContact O-N 3.32Å; Y169-Q171 PolarHBondContact O-N 3.38Å; Q171-E175 PolarHBondContact NE2-OE1 2.95Å; Q171-E175 VanDerWaalsContact O-CB 3.31Å; Q171-E175 WeakPolarHBondContact O-CB 3.45Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.44Å |
| 172 | K | 80.2 | Confident | 77.4 | Confident | 95 Ų | 95 | 75.2 Ų | 75.2 | 41% | 0.413 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -71.5 | -34.7 | 179.3 | -76.2 | -74.1 | 166.1 | -152.9 | 0 | 113 | A144 R168 Y169 L170 E175 F176 | A144-K172 HydrophobicContact CB-CB 3.6Å; A144-K172 HydrophobicContact CB-CG 4.38Å; R168-K172 WeakPolarHBondContact O-CG 3.48Å; R168-K172 PolarHBondContact O-N 2.87Å; Y169-K172 PolarHBondContact O-N 3.29Å; L170-K172 PolarHBondContact O-N 3.11Å; K172-E175 WeakPolarHBondContact CE-OE2 3.17Å; K172-E175 IonicContact NZ-OE2 3.54Å; K172-E175 PolarHBondContact NZ-OE2 3.24Å; K172-F176 WeakPolarHBondContact O-CB 3.42Å; K172-F176 PolarHBondContact O-N 3.2Å; K172-F176 VanDerWaalsContact O-N 3.13Å |
| 173 | I | 81.5 | Confident | 76.4 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 16% | 0.164 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.5 | -44.9 | 174.3 | -63.6 | -60.1 | 0 | 0 | 0 | 110.3 | A144 L145 Q148 Y169 L170 F176 A177 | A144-I173 HydrophobicContact CB-CD1 4.45Å; L145-I173 HydrophobicContact CD2-CD1 3.74Å; Q148-I173 HydrophobicContact CB-CD1 4.41Å; Y169-I173 HydrophobicContact CD1-CG1 4.35Å; Y169-I173 HydrophobicContact CD2-CG1 4.37Å; Y169-I173 HydrophobicContact CE1-CG1 3.96Å; Y169-I173 HydrophobicContact CE2-CD1 4.1Å; Y169-I173 HydrophobicContact CE2-CG1 4Å; Y169-I173 WeakPolarHBondContact O-CG1 3.32Å; Y169-I173 PolarHBondContact O-N 2.93Å; L170-I173 PolarHBondContact O-N 3.37Å; L170-I173 VanDerWaalsContact O-N 3.13Å; I173-F176 PolarHBondContact O-N 3.14Å; I173-A177 WeakPolarHBondContact O-CB 3.27Å; I173-A177 PolarHBondContact O-N 3.27Å |
| 174 | E | 79.1 | Confident | 75.6 | Confident | 121 Ų | 121 | 80.2 Ų | 80.2 | 57% | 0.565 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 175.6 | -73.3 | 171 | -174 | 0 | 0 | 111.6 | L170 F176 A177 E178 | L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 WeakPolarHBondContact O-CG 3.36Å; L170-E174 PolarHBondContact O-N 2.93Å; E174-F176 PolarHBondContact O-N 3.01Å; E174-A177 PolarHBondContact O-N 2.74Å; E174-E178 PolarHBondContact O-N 3.38Å |
| 175 | E | 72.4 | Confident | 74.5 | Confident | 59 Ų | 59 | 81.3 Ų | 81.3 | 28% | 0.276 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 174.4 | -80.2 | 173 | -171.6 | 0 | 0 | 111.7 | Q171 K172 M179 | Q171-E175 PolarHBondContact NE2-OE1 2.95Å; Q171-E175 VanDerWaalsContact O-CB 3.31Å; Q171-E175 WeakPolarHBondContact O-CB 3.45Å; Q171-E175 WeakPolarHBondContact O-CG 3.44Å; Q171-E175 PolarHBondContact O-N 3.44Å; K172-E175 WeakPolarHBondContact CE-OE2 3.17Å; K172-E175 IonicContact NZ-OE2 3.54Å; K172-E175 PolarHBondContact NZ-OE2 3.24Å; E175-M179 WeakPolarHBondContact O-CG 3.24Å; E175-M179 PolarHBondContact O-N 2.88Å; E175-M179 VanDerWaalsContact O-N 3.17Å |
| 176 | F | 73.6 | Confident | 73.2 | Confident | 86 Ų | 86 | 84.3 Ų | 84.3 | 38% | 0.377 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.8 | -43.7 | 176.6 | -178.9 | -102.3 | 0 | 0 | 0 | 112.3 | L145 K172 I173 E174 E178 M179 V180 | L145-F176 HydrophobicContact CD1-CB 4.44Å; L145-F176 HydrophobicContact CD1-CD1 3.88Å; L145-F176 HydrophobicContact CD1-CD2 3.54Å; L145-F176 HydrophobicContact CD1-CE1 3.91Å; L145-F176 HydrophobicContact CD1-CE2 3.59Å; L145-F176 HydrophobicContact CD1-CG 3.67Å; L145-F176 HydrophobicContact CD1-CZ 3.77Å; L145-F176 HydrophobicContact CD2-CB 4.26Å; L145-F176 HydrophobicContact CD2-CD1 3.5Å; L145-F176 HydrophobicContact CD2-CE1 3.92Å; L145-F176 HydrophobicContact CD2-CG 3.86Å; L145-F176 HydrophobicContact CG-CD1 4.3Å; L145-F176 HydrophobicContact CG-CG 4.27Å; K172-F176 WeakPolarHBondContact O-CB 3.42Å; K172-F176 PolarHBondContact O-N 3.2Å; K172-F176 VanDerWaalsContact O-N 3.13Å; I173-F176 PolarHBondContact O-N 3.14Å; E174-F176 PolarHBondContact O-N 3.01Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.95Å; F176-M179 HydrophobicContact CB-CE 4.44Å; F176-M179 HydrophobicContact CD2-CE 4.15Å; F176-M179 WeakPolarHBondContact O-CA 3.37Å; F176-M179 WeakPolarHBondContact O-CB 3.41Å; F176-M179 PolarHBondContact O-N 2.93Å; F176-V180 HydrophobicContact CD1-CG2 3.96Å; F176-V180 HydrophobicContact CE1-CG2 3.5Å; F176-V180 HydrophobicContact CE2-CG2 4.11Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.59Å; F176-V180 WeakPolarHBondContact O-CG2 3.02Å; F176-V180 PolarHBondContact O-N 3.03Å |
| 177 | A | 74 | Confident | 71.7 | Confident | 44 Ų | 44 | 86 Ų | 86 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I173 E174 M179 V180 E181 | I173-A177 WeakPolarHBondContact O-CB 3.27Å; I173-A177 PolarHBondContact O-N 3.27Å; E174-A177 PolarHBondContact O-N 2.74Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 2.85Å; A177-V180 PolarHBondContact O-N 2.54Å; A177-E181 WeakPolarHBondContact O-CB 3.17Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.1Å |
| 178 | E | 71.9 | Confident | 70.4 | Confident | 93 Ų | 93 | 81.8 Ų | 81.8 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 173.6 | -76.1 | -168.2 | -163.4 | 0 | 0 | 112.8 | E174 F176 R182 | E174-E178 PolarHBondContact O-N 3.38Å; F176-E178 VanDerWaalsContact C-N 3.33Å; F176-E178 PolarHBondContact O-N 2.95Å; E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.28Å; E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.98Å; E178-R182 IonicContact OE2-CZ 3.99Å; E178-R182 IonicContact OE2-NH1 2.96Å; E178-R182 PolarHBondContact OE2-NH1 3.44Å; E178-R182 IonicContact OE2-NH2 2.81Å; E178-R182 PolarHBondContact OE2-NH2 3.24Å |
| 179 | M | 65.2 | Low | 69.1 | Low | 74 Ų | 74 | 82 Ų | 82 | 37% | 0.365 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 174.4 | -79.6 | -171.6 | -65.5 | 0 | 0 | 110.8 | E175 F176 A177 R182 E183 | E175-M179 WeakPolarHBondContact O-CG 3.24Å; E175-M179 PolarHBondContact O-N 2.88Å; E175-M179 VanDerWaalsContact O-N 3.17Å; F176-M179 HydrophobicContact CB-CE 4.44Å; F176-M179 HydrophobicContact CD2-CE 4.15Å; F176-M179 WeakPolarHBondContact O-CA 3.37Å; F176-M179 WeakPolarHBondContact O-CB 3.41Å; F176-M179 PolarHBondContact O-N 2.93Å; A177-M179 VanDerWaalsContact C-N 3.3Å; A177-M179 PolarHBondContact O-N 2.85Å; M179-R182 PolarHBondContact O-N 3.37Å; M179-E183 WeakPolarHBondContact O-CB 3.46Å; M179-E183 VanDerWaalsContact O-CG 3.25Å; M179-E183 WeakPolarHBondContact O-CG 3.41Å; M179-E183 PolarHBondContact O-N 2.99Å |
| 180 | V | 68.8 | Low | 67.6 | Low | 40 Ų | 40 | 85.7 Ų | 85.7 | 24% | 0.242 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.8 | -45.3 | 177.1 | 174 | 0 | 0 | 0 | 0 | 110.7 | F176 A177 R182 E183 E184 | F176-V180 HydrophobicContact CD1-CG2 3.96Å; F176-V180 HydrophobicContact CE1-CG2 3.5Å; F176-V180 HydrophobicContact CE2-CG2 4.11Å; F176-V180 HydrophobicContact CG-CG2 4.46Å; F176-V180 HydrophobicContact CZ-CG2 3.59Å; F176-V180 WeakPolarHBondContact O-CG2 3.02Å; F176-V180 PolarHBondContact O-N 3.03Å; A177-V180 PolarHBondContact O-N 2.54Å; V180-R182 VanDerWaalsContact C-N 3.34Å; V180-R182 PolarHBondContact O-N 3.34Å; V180-E183 CarbonylContact O-C 3.48Å; V180-E183 WeakPolarHBondContact O-CA 3.23Å; V180-E183 WeakPolarHBondContact O-CB 3.47Å; V180-E183 PolarHBondContact O-N 2.75Å; V180-E183 VanDerWaalsContact O-N 3.08Å; V180-E184 HydrophobicContact CG1-CG 4.25Å; V180-E184 WeakPolarHBondContact O-CB 3.14Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.09Å |
| 181 | E | 68.7 | Low | 65.7 | Low | 118 Ų | 118 | 85.2 Ų | 85.2 | 55% | 0.551 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 175.8 | -74.7 | -178 | 168.8 | 0 | 0 | 111.5 | A177 E183 E184 E185 | A177-E181 WeakPolarHBondContact O-CB 3.17Å; A177-E181 WeakPolarHBondContact O-CG 3.2Å; A177-E181 PolarHBondContact O-N 3.1Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.84Å; E181-E184 PolarHBondContact O-N 2.99Å; E181-E185 WeakPolarHBondContact O-CB 3.36Å; E181-E185 VanDerWaalsContact O-CG 3.3Å; E181-E185 WeakPolarHBondContact O-CG 3.44Å; E181-E185 PolarHBondContact O-N 3.33Å |
| 182 | R | 62.9 | Low | 63.9 | Low | 133 Ų | 133 | 87.6 Ų | 87.6 | 50% | 0.502 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 173.5 | -75.3 | -179.5 | -173 | 109.4 | 9.7 | 112.3 | E178 M179 V180 D186 | E178-R182 WeakPolarHBondContact O-CB 3.41Å; E178-R182 VanDerWaalsContact O-CG 3.28Å; E178-R182 WeakPolarHBondContact O-CG 3.35Å; E178-R182 PolarHBondContact O-N 2.98Å; E178-R182 IonicContact OE2-CZ 3.99Å; E178-R182 IonicContact OE2-NH1 2.96Å; E178-R182 PolarHBondContact OE2-NH1 3.44Å; E178-R182 IonicContact OE2-NH2 2.81Å; E178-R182 PolarHBondContact OE2-NH2 3.24Å; M179-R182 PolarHBondContact O-N 3.37Å; V180-R182 VanDerWaalsContact C-N 3.34Å; V180-R182 PolarHBondContact O-N 3.34Å; R182-D186 VanDerWaalsContact O-CB 3.27Å; R182-D186 WeakPolarHBondContact O-CB 3.31Å; R182-D186 VanDerWaalsContact O-CG 3.26Å; R182-D186 PolarHBondContact O-N 2.83Å |
| 183 | E | 61.5 | Low | 62.2 | Low | 76 Ų | 76 | 84.1 Ų | 84.1 | 36% | 0.355 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.9 | -38.9 | 175.8 | -75.4 | -170.8 | 153.7 | 0 | 0 | 111.9 | M179 V180 E181 D186 D187 R480 | M179-E183 WeakPolarHBondContact O-CB 3.46Å; M179-E183 VanDerWaalsContact O-CG 3.25Å; M179-E183 WeakPolarHBondContact O-CG 3.41Å; M179-E183 PolarHBondContact O-N 2.99Å; V180-E183 CarbonylContact O-C 3.48Å; V180-E183 WeakPolarHBondContact O-CA 3.23Å; V180-E183 WeakPolarHBondContact O-CB 3.47Å; V180-E183 PolarHBondContact O-N 2.75Å; V180-E183 VanDerWaalsContact O-N 3.08Å; E181-E183 VanDerWaalsContact C-N 3.32Å; E181-E183 PolarHBondContact O-N 2.84Å; E183-D186 PolarHBondContact O-N 3.46Å; E183-D187 VanDerWaalsContact O-CB 3.25Å; E183-D187 WeakPolarHBondContact O-CB 3.29Å; E183-D187 PolarHBondContact O-N 2.93Å; E183-R480 IonicContact OE1-CZ 2.79Å; E183-R480 IonicContact OE1-NE 3.75Å; E183-R480 IonicContact OE1-NH2 3.23Å; E183-R480 PolarHBondContact OE1-NH2 3.1Å |
| 184 | E | 63.1 | Low | 60.4 | Low | 117 Ų | 117 | 88.7 Ų | 88.7 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.5 | -42 | 173.4 | -72.8 | 179.7 | -179.7 | 0 | 0 | 111.2 | V180 E181 D187 V188 | V180-E184 HydrophobicContact CG1-CG 4.25Å; V180-E184 WeakPolarHBondContact O-CB 3.14Å; V180-E184 WeakPolarHBondContact O-CG 3.45Å; V180-E184 PolarHBondContact O-N 3.09Å; E181-E184 PolarHBondContact O-N 2.99Å; E184-D187 PolarHBondContact O-N 3.22Å; E184-V188 VanDerWaalsContact O-CB 3.26Å; E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 3.48Å |
| 185 | E | 60.2 | Low | 58.4 | Low | 124 Ų | 124 | 90.1 Ų | 90.1 | 58% | 0.579 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.5 | -44.4 | 172.6 | -76.8 | -178.4 | 170.4 | 0 | 0 | 111.2 | E181 V188 L189 | E181-E185 WeakPolarHBondContact O-CB 3.36Å; E181-E185 VanDerWaalsContact O-CG 3.3Å; E181-E185 WeakPolarHBondContact O-CG 3.44Å; E181-E185 PolarHBondContact O-N 3.33Å; E185-V188 PolarHBondContact O-N 3.22Å; E185-L189 VanDerWaalsContact O-CB 3.32Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.9Å |
| 186 | D | 55.6 | Low | 56.9 | Low | 80 Ų | 80 | 92 Ų | 92 | 43% | 0.428 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.4 | -80.7 | -19.9 | 0 | 0 | 0 | 111.5 | R182 E183 L189 D190 | R182-D186 VanDerWaalsContact O-CB 3.27Å; R182-D186 WeakPolarHBondContact O-CB 3.31Å; R182-D186 VanDerWaalsContact O-CG 3.26Å; R182-D186 PolarHBondContact O-N 2.83Å; E183-D186 PolarHBondContact O-N 3.46Å; D186-L189 PolarHBondContact O-N 2.95Å; D186-D190 WeakPolarHBondContact O-CB 3.34Å; D186-D190 PolarHBondContact O-N 3.25Å |
| 187 | D | 55 | Low | 55.8 | Low | 97 Ų | 97 | 91.2 Ų | 91.2 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.2 | -35.4 | 177.4 | -84.7 | -8.8 | 0 | 0 | 0 | 111.6 | E183 E184 S191 | E183-D187 VanDerWaalsContact O-CB 3.25Å; E183-D187 WeakPolarHBondContact O-CB 3.29Å; E183-D187 PolarHBondContact O-N 2.93Å; E184-D187 PolarHBondContact O-N 3.22Å; D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 3.43Å |
| 188 | V | 55.1 | Low | 54.1 | Low | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.485 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70 | -40.1 | 172.7 | 171.1 | 0 | 0 | 0 | 0 | 110.3 | E184 E185 S191 E192 | E184-V188 VanDerWaalsContact O-CB 3.26Å; E184-V188 WeakPolarHBondContact O-CB 3.47Å; E184-V188 WeakPolarHBondContact O-CG2 3.37Å; E184-V188 PolarHBondContact O-N 3.48Å; E185-V188 PolarHBondContact O-N 3.22Å; V188-S191 CarbonylContact O-C 3.59Å; V188-S191 PolarHBondContact O-N 2.96Å; V188-S191 VanDerWaalsContact O-N 3.08Å; V188-E192 HydrophobicContact CG1-CG 4.21Å; V188-E192 WeakPolarHBondContact O-CB 3.34Å; V188-E192 WeakPolarHBondContact O-CG 3.39Å; V188-E192 PolarHBondContact O-N 2.81Å |
| 189 | L | 53.7 | Low | 52.6 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -39.7 | 173.5 | -74.6 | 166.5 | 0 | 0 | 0 | 111.8 | E185 D186 S191 G193 | E185-L189 VanDerWaalsContact O-CB 3.32Å; E185-L189 WeakPolarHBondContact O-CB 3.45Å; E185-L189 WeakPolarHBondContact O-CD1 3.31Å; E185-L189 WeakPolarHBondContact O-CG 3.49Å; E185-L189 PolarHBondContact O-N 2.9Å; D186-L189 PolarHBondContact O-N 2.95Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-G193 PolarHBondContact O-N 3.35Å |
| 190 | D | 51.2 | Low | 51.3 | Low | 77 Ų | 77 | 92 Ų | 92 | 41% | 0.412 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -30.8 | 170.6 | -105.4 | 5.5 | 0 | 0 | 0 | 110.6 | D186 G193 R194 | D186-D190 WeakPolarHBondContact O-CB 3.34Å; D186-D190 PolarHBondContact O-N 3.25Å; D190-G193 CarbonylContact O-C 3.42Å; D190-G193 WeakPolarHBondContact O-CA 3.31Å; D190-G193 PolarHBondContact O-N 3.49Å; D190-R194 WeakPolarHBondContact O-CG 3.25Å; D190-R194 PolarHBondContact O-N 2.87Å |
| 191 | S | 44.5 | Very low | 49.9 | Very low | 52 Ų | 52 | 100 Ų | 100 | 36% | 0.364 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -84.5 | -30.5 | 179.5 | -159.9 | 0 | 0 | 0 | 0 | 114.7 | D187 V188 L189 R194 D195 | D187-S191 WeakPolarHBondContact O-CB 3.42Å; D187-S191 PolarHBondContact O-N 3.43Å; V188-S191 CarbonylContact O-C 3.59Å; V188-S191 PolarHBondContact O-N 2.96Å; V188-S191 VanDerWaalsContact O-N 3.08Å; L189-S191 VanDerWaalsContact C-N 3.28Å; S191-R194 VanDerWaalsContact C-N 3.31Å; S191-R194 CarbonylContact O-C 3.52Å; S191-R194 VanDerWaalsContact O-CA 3.23Å; S191-R194 WeakPolarHBondContact O-CA 3.45Å; S191-R194 WeakPolarHBondContact O-CB 3.34Å; S191-R194 PolarHBondContact O-N 3.28Å; S191-D195 PolarHBondContact O-N 3.03Å |
| 192 | E | 44.8 | Very low | 48.8 | Very low | 132 Ų | 132 | 98 Ų | 98 | 62% | 0.617 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.1 | -28.7 | 165.1 | -71.5 | -171.3 | 140.3 | 0 | 0 | 109.8 | V188 | V188-E192 HydrophobicContact CG1-CG 4.21Å; V188-E192 WeakPolarHBondContact O-CB 3.34Å; V188-E192 WeakPolarHBondContact O-CG 3.39Å; V188-E192 PolarHBondContact O-N 2.81Å |
| 193 | G | 42.8 | Very low | 48.1 | Very low | 21 Ų | 21 | 93.9 Ų | 93.9 | 22% | 0.216 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -56.5 | -45.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L189 D190 D195 S196 E197 | L189-G193 PolarHBondContact O-N 3.35Å; D190-G193 CarbonylContact O-C 3.42Å; D190-G193 WeakPolarHBondContact O-CA 3.31Å; D190-G193 PolarHBondContact O-N 3.49Å; G193-D195 PolarHBondContact O-N 3.18Å; G193-S196 CarbonylContact O-C 3.51Å; G193-S196 VanDerWaalsContact O-C 3.23Å; G193-S196 VanDerWaalsContact O-CA 3.3Å; G193-S196 WeakPolarHBondContact O-CA 3.25Å; G193-S196 WeakPolarHBondContact O-CB 3.39Å; G193-S196 PolarHBondContact O-N 3.24Å; G193-E197 VanDerWaalsContact O-CB 3.24Å; G193-E197 WeakPolarHBondContact O-CB 3.41Å; G193-E197 WeakPolarHBondContact O-CG 3.41Å; G193-E197 PolarHBondContact O-N 3.35Å |
| 194 | R | 43.8 | Very low | 48.1 | Very low | 128 Ų | 128 | 92.5 Ų | 92.5 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -28.3 | 176.4 | -70.9 | 171 | -172.6 | -177.8 | 5.9 | 116.6 | D190 S191 S196 E197 G198 | D190-R194 WeakPolarHBondContact O-CG 3.25Å; D190-R194 PolarHBondContact O-N 2.87Å; S191-R194 VanDerWaalsContact C-N 3.31Å; S191-R194 CarbonylContact O-C 3.52Å; S191-R194 VanDerWaalsContact O-CA 3.23Å; S191-R194 WeakPolarHBondContact O-CA 3.45Å; S191-R194 WeakPolarHBondContact O-CB 3.34Å; S191-R194 PolarHBondContact O-N 3.28Å; R194-S196 PolarHBondContact O-N 3.05Å; R194-E197 VanDerWaalsContact C-N 3.26Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 VanDerWaalsContact O-C 3.31Å; R194-E197 WeakPolarHBondContact O-CA 3.49Å; R194-E197 PolarHBondContact O-N 2.83Å; R194-G198 PolarHBondContact O-N 2.73Å |
| 195 | D | 38.7 | Very low | 48.5 | Very low | 152 Ų | 152 | 97.6 Ų | 97.6 | 81% | 0.813 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -10.1 | 170 | -74.6 | -17.9 | 0 | 0 | 0 | 112.1 | S191 G193 | S191-D195 PolarHBondContact O-N 3.03Å; G193-D195 PolarHBondContact O-N 3.18Å |
| 196 | S | 40.7 | Very low | 49 | Very low | 98 Ų | 98 | 98.3 Ų | 98.3 | 69% | 0.685 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -0.8 | 158.4 | -69.2 | 0 | 0 | 0 | 0 | 114.7 | G193 R194 | G193-S196 CarbonylContact O-C 3.51Å; G193-S196 VanDerWaalsContact O-C 3.23Å; G193-S196 VanDerWaalsContact O-CA 3.3Å; G193-S196 WeakPolarHBondContact O-CA 3.25Å; G193-S196 WeakPolarHBondContact O-CB 3.39Å; G193-S196 PolarHBondContact O-N 3.24Å; R194-S196 PolarHBondContact O-N 3.05Å |
| 197 | E | 49.7 | Very low | 49.8 | Very low | 70 Ų | 70 | 96 Ų | 96 | 33% | 0.327 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -130.6 | 21.8 | -171.1 | -63.2 | 173.5 | 150.8 | 0 | 0 | 115.2 | G193 R194 R214 | G193-E197 VanDerWaalsContact O-CB 3.24Å; G193-E197 WeakPolarHBondContact O-CB 3.41Å; G193-E197 WeakPolarHBondContact O-CG 3.41Å; G193-E197 PolarHBondContact O-N 3.35Å; R194-E197 VanDerWaalsContact C-N 3.26Å; R194-E197 CarbonylContact O-C 3.46Å; R194-E197 VanDerWaalsContact O-C 3.31Å; R194-E197 WeakPolarHBondContact O-CA 3.49Å; R194-E197 PolarHBondContact O-N 2.83Å; E197-R214 IonicContact OE1-NH1 2.99Å |
| 198 | G | 37.8 | Very low | 50.7 | Low | 34 Ų | 34 | 97.1 Ų | 97.1 | 35% | 0.351 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -71.9 | 156.1 | 154.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R194 A200 | R194-G198 PolarHBondContact O-N 2.73Å; G198-A200 PolarHBondContact O-N 3.48Å |
| 199 | P | 40.3 | Very low | 51.7 | Low | 128 Ų | 128 | 97 Ų | 97 | 83% | 0.831 | 55% | 0.55 | S | S | * | . | trans | -68.8 | 79.3 | 164.2 | 30.6 | -30 | 0 | 0 | 0 | 107.5 | E201 | P199-E201 PolarHBondContact O-N 3.43Š| ||
| 200 | A | 38.5 | Very low | 52.9 | Low | 65 Ų | 65 | 95 Ų | 95 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | trans | -64 | 109.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 106.1 | G198 G202 E203 | G198-A200 PolarHBondContact O-N 3.48Å; A200-G202 PolarHBondContact O-N 3.34Å; A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 PolarHBondContact O-N 3.46Å; A200-E203 VanDerWaalsContact O-N 3.17Å | ||
| 201 | E | 39.7 | Very low | 53.9 | Low | 209 Ų | 209 | 94.3 Ų | 94.3 | 98% | 0.977 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 89.4 | 163 | -67 | -178.6 | 143.4 | 0 | 0 | 107.9 | P199 | P199-E201 PolarHBondContact O-N 3.43Š|
| 202 | G | 45.9 | Very low | 55.4 | Low | 75 Ų | 75 | 100.9 Ų | 100.9 | 77% | 0.773 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.4 | 7.7 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | A200 G204 | A200-G202 PolarHBondContact O-N 3.34Å; G202-G204 PolarHBondContact O-N 2.96Å |
| 203 | E | 47.8 | Very low | 57 | Low | 46 Ų | 46 | 96.9 Ų | 96.9 | 22% | 0.215 | 53% | 0.529 | C | S | . | . | trans | -63.8 | 111.7 | 176 | -71.3 | -179.5 | 153.3 | 0 | 0 | 112.6 | A200 R208 R211 | A200-E203 HydrophobicContact CB-CG 4.35Å; A200-E203 PolarHBondContact O-N 3.46Å; A200-E203 VanDerWaalsContact O-N 3.17Å; E203-R208 VanDerWaalsContact O-CZ 3.24Å; E203-R208 PolarHBondContact O-NH1 2.83Å; E203-R208 VanDerWaalsContact O-NH1 3.14Å; E203-R208 PolarHBondContact O-NH2 2.87Å; E203-R211 IonicContact OE1-CZ 3.03Å; E203-R211 IonicContact OE1-NH1 2.76Å; E203-R211 PolarHBondContact OE1-NH1 2.85Å; E203-R211 IonicContact OE1-NH2 2.57Å; E203-R211 PolarHBondContact OE1-NH2 3.06Å; E203-R211 IonicContact OE2-CZ 3.41Å; E203-R211 IonicContact OE2-NH1 3.46Å; E203-R211 PolarHBondContact OE2-NH1 3.17Å; E203-R211 IonicContact OE2-NH2 2.64Å; E203-R211 PolarHBondContact OE2-NH2 3.44Å | ||
| 204 | G | 61.8 | Low | 58.8 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | trans | -56.9 | 154.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G202 L206 G207 | G202-G204 PolarHBondContact O-N 2.96Å; G204-L206 PolarHBondContact O-N 3.08Å; G204-G207 PolarHBondContact O-N 2.71Å | ||
| 205 | R | 70.6 | Confident | 60.2 | Low | 225 Ų | 225 | 96 Ų | 96 | 85% | 0.849 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -50.6 | -28.1 | 177.9 | -69.6 | -175.6 | -174.3 | -157.3 | 1.7 | 113.1 | C209 | R205-C209 WeakPolarHBondContact O-CB 3.25Å; R205-C209 PolarHBondContact O-N 3.44Å; R205-C209 VanDerWaalsContact O-N 3.1Å |
| 206 | L | 72 | Confident | 62.2 | Low | 138 Ų | 138 | 91 Ų | 91 | 72% | 0.723 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.9 | -41.6 | 179.9 | -164.6 | 68.4 | 0 | 0 | 0 | 113.3 | G204 C209 M210 | G204-L206 PolarHBondContact O-N 3.08Å; L206-C209 WeakPolarHBondContact O-CB 3.35Å; L206-C209 PolarHBondContact O-N 2.95Å; L206-M210 WeakPolarHBondContact O-CB 3.09Å; L206-M210 WeakPolarHBondContact O-CG 3.5Å; L206-M210 PolarHBondContact O-N 3.46Å |
| 207 | G | 72.4 | Confident | 64.1 | Low | 32 Ų | 32 | 86.9 Ų | 86.9 | 33% | 0.33 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | G204 C209 M210 R211 | G204-G207 PolarHBondContact O-N 2.71Å; G207-C209 PolarHBondContact O-N 3.37Å; G207-M210 PolarHBondContact O-N 3.08Å; G207-R211 PolarHBondContact O-N 3.36Å |
| 208 | R | 73.5 | Confident | 65.3 | Low | 120 Ų | 120 | 88.2 Ų | 88.2 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 172.2 | -73.7 | -171.8 | -76.3 | -94.8 | -6 | 112.5 | E203 R212 | E203-R208 VanDerWaalsContact O-CZ 3.24Å; E203-R208 PolarHBondContact O-NH1 2.83Å; E203-R208 VanDerWaalsContact O-NH1 3.14Å; E203-R208 PolarHBondContact O-NH2 2.87Å; R208-R212 WeakPolarHBondContact O-CG 3.45Å; R208-R212 PolarHBondContact O-N 2.87Å; R208-R212 VanDerWaalsContact O-N 3.16Å |
| 209 | C | 76.6 | Confident | 66.7 | Low | 78 Ų | 78 | 90.2 Ų | 90.2 | 53% | 0.527 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 176.4 | -169 | 0 | 0 | 0 | 0 | 111.4 | R205 L206 G207 R211 R212 L213 | R205-C209 WeakPolarHBondContact O-CB 3.25Å; R205-C209 PolarHBondContact O-N 3.44Å; R205-C209 VanDerWaalsContact O-N 3.1Å; L206-C209 WeakPolarHBondContact O-CB 3.35Å; L206-C209 PolarHBondContact O-N 2.95Å; G207-C209 PolarHBondContact O-N 3.37Å; C209-R211 PolarHBondContact O-N 2.85Å; C209-R212 PolarHBondContact O-N 2.84Å; C209-L213 WeakPolarHBondContact O-CB 3.49Å; C209-L213 PolarHBondContact O-N 3.47Å |
| 210 | M | 77.3 | Confident | 68.1 | Low | 69 Ų | 69 | 86.6 Ų | 86.6 | 34% | 0.34 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 178.8 | -77.2 | -72.6 | -81 | 0 | 0 | 112.6 | L206 G207 L213 R214 I288 | L206-M210 WeakPolarHBondContact O-CB 3.09Å; L206-M210 WeakPolarHBondContact O-CG 3.5Å; L206-M210 PolarHBondContact O-N 3.46Å; G207-M210 PolarHBondContact O-N 3.08Å; M210-L213 PolarHBondContact O-N 2.92Å; M210-L213 HydrophobicContact SD-CD2 4.42Å; M210-R214 WeakPolarHBondContact O-CB 3.43Å; M210-R214 PolarHBondContact O-N 2.89Å; M210-I288 HydrophobicContact CE-CG2 3.95Å |
| 211 | R | 72.8 | Confident | 69.4 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 23% | 0.23 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -64.9 | -46.7 | 173.4 | -93.5 | 178 | -68 | -165.8 | -8.1 | 113 | E203 G207 C209 L213 R214 D215 | E203-R211 IonicContact OE1-CZ 3.03Å; E203-R211 IonicContact OE1-NH1 2.76Å; E203-R211 PolarHBondContact OE1-NH1 2.85Å; E203-R211 IonicContact OE1-NH2 2.57Å; E203-R211 PolarHBondContact OE1-NH2 3.06Å; E203-R211 IonicContact OE2-CZ 3.41Å; E203-R211 IonicContact OE2-NH1 3.46Å; E203-R211 PolarHBondContact OE2-NH1 3.17Å; E203-R211 IonicContact OE2-NH2 2.64Å; E203-R211 PolarHBondContact OE2-NH2 3.44Å; G207-R211 PolarHBondContact O-N 3.36Å; C209-R211 PolarHBondContact O-N 2.85Å; R211-L213 PolarHBondContact O-N 2.89Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R211-D215 PolarHBondContact O-N 3.16Å |
| 212 | R | 75.4 | Confident | 70.6 | Confident | 191 Ų | 191 | 83.7 Ų | 83.7 | 72% | 0.721 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.4 | -37.3 | 175.2 | -72.8 | -179.3 | -176.4 | 176.4 | 0.7 | 112.2 | R208 C209 M216 | R208-R212 WeakPolarHBondContact O-CG 3.45Å; R208-R212 PolarHBondContact O-N 2.87Å; R208-R212 VanDerWaalsContact O-N 3.16Å; C209-R212 PolarHBondContact O-N 2.84Å; R212-M216 WeakPolarHBondContact O-CB 3.39Å; R212-M216 PolarHBondContact O-N 3.18Å |
| 213 | L | 79 | Confident | 72.2 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 25% | 0.246 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 176.5 | -168.6 | 74 | 0 | 0 | 0 | 111.7 | C209 M210 R211 M216 V217 L285 Q289 | C209-L213 WeakPolarHBondContact O-CB 3.49Å; C209-L213 PolarHBondContact O-N 3.47Å; M210-L213 PolarHBondContact O-N 2.92Å; M210-L213 HydrophobicContact SD-CD2 4.42Å; R211-L213 PolarHBondContact O-N 2.89Å; L213-M216 HydrophobicContact CD1-CE 3.79Å; L213-M216 PolarHBondContact O-N 3.45Å; L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å; L213-L285 HydrophobicContact CD1-CD2 4.28Å; L213-L285 HydrophobicContact CD2-CD2 3.95Å; L213-L285 HydrophobicContact CG-CD2 4.43Å; L213-Q289 PolarHBondContact O-NE2 3.33Å |
| 214 | R | 80.1 | Confident | 73.9 | Confident | 78 Ų | 78 | 85.8 Ų | 85.8 | 29% | 0.294 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 173.9 | -174.1 | -176 | -67.6 | 161 | -4.8 | 111.7 | E197 M210 R211 M216 V217 E218 | E197-R214 IonicContact OE1-NH1 2.99Å; M210-R214 WeakPolarHBondContact O-CB 3.43Å; M210-R214 PolarHBondContact O-N 2.89Å; R211-R214 WeakPolarHBondContact O-CB 3.46Å; R211-R214 PolarHBondContact O-N 3.04Å; R211-R214 VanDerWaalsContact O-N 3.12Å; R214-M216 PolarHBondContact O-N 3.39Å; R214-V217 PolarHBondContact O-N 2.92Å; R214-E218 WeakPolarHBondContact CG-OE2 3.28Å; R214-E218 PolarHBondContact O-N 3.39Å |
| 215 | D | 73.3 | Confident | 75 | Confident | 52 Ų | 52 | 87.2 Ų | 87.2 | 28% | 0.278 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -32.8 | 176.9 | -73.3 | -36 | 0 | 0 | 0 | 112.4 | R211 R219 S222 | R211-D215 PolarHBondContact O-N 3.16Å; D215-R219 CarbonylContact O-C 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.5Å; D215-R219 PolarHBondContact O-N 2.92Å; D215-R219 WeakPolarHBondContact OD1-CD 3.41Å; D215-R219 IonicContact OD1-CZ 3.91Å; D215-R219 IonicContact OD1-NE 2.78Å; D215-R219 IonicContact OD1-NH1 3.53Å; D215-R219 PolarHBondContact OD1-NH1 3.32Å; D215-S222 PolarHBondContact O-OG 3.05Å |
| 216 | M | 81.5 | Confident | 75.7 | Confident | 49 Ų | 49 | 76.5 Ų | 76.5 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -72 | -40.3 | 176.2 | -175.3 | -175.7 | 78.6 | 0 | 0 | 112.8 | R212 L213 R214 P225 G226 F229 | R212-M216 WeakPolarHBondContact O-CB 3.39Å; R212-M216 PolarHBondContact O-N 3.18Å; L213-M216 HydrophobicContact CD1-CE 3.79Å; L213-M216 PolarHBondContact O-N 3.45Å; R214-M216 PolarHBondContact O-N 3.39Å; M216-P225 HydrophobicContact CG-CB 4.14Å; M216-P225 HydrophobicContact SD-CB 4.22Å; M216-G226 WeakPolarHBondContact O-CA 3.3Å; M216-F229 HydrophobicContact CE-CD2 4.08Å; M216-F229 HydrophobicContact CE-CE2 4.43Å; M216-F229 HydrophobicContact CG-CB 4.08Å; M216-F229 HydrophobicContact CG-CG 4.43Å |
| 217 | V | 81.1 | Confident | 76.4 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 6% | 0.061 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -89 | -39 | -170.1 | 172.7 | 0 | 0 | 0 | 0 | 112.9 | L213 R214 F229 L285 R286 | L213-V217 WeakPolarHBondContact O-CB 3.45Å; L213-V217 VanDerWaalsContact O-CG2 3.31Å; L213-V217 WeakPolarHBondContact O-CG2 3.3Å; L213-V217 PolarHBondContact O-N 3.15Å; R214-V217 PolarHBondContact O-N 2.92Å; V217-F229 HydrophobicContact CB-CE1 4.35Å; V217-F229 HydrophobicContact CG1-CE1 4.2Å; V217-F229 HydrophobicContact CG1-CZ 4.38Å; V217-F229 HydrophobicContact CG2-CE1 4.2Å; V217-F229 HydrophobicContact CG2-CE2 4.41Å; V217-F229 HydrophobicContact CG2-CZ 4.01Å; V217-L285 HydrophobicContact CG2-CB 4.27Å; V217-L285 HydrophobicContact CG2-CD1 4.19Å; V217-R286 HydrophobicContact CG1-CG 3.54Å |
| 218 | E | 73.8 | Confident | 77.2 | Confident | 98 Ų | 98 | 78 Ų | 78 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -93.7 | -26.3 | -176.9 | -67.8 | -178.4 | 164.7 | 0 | 0 | 112.8 | R214 P220 | R214-E218 WeakPolarHBondContact CG-OE2 3.28Å; R214-E218 PolarHBondContact O-N 3.39Å; E218-P220 WeakPolarHBondContact O-CD 3.44Å |
| 219 | R | 67.7 | Low | 78 | Confident | 77 Ų | 77 | 73 Ų | 73 | 29% | 0.291 | 37% | 0.368 | S | S | . | . | trans | -119.3 | 88.3 | -171.6 | -59.8 | 175.1 | -175.7 | 172 | -7.5 | 111.3 | D215 H221 S222 | D215-R219 CarbonylContact O-C 3.31Å; D215-R219 WeakPolarHBondContact O-CB 3.5Å; D215-R219 PolarHBondContact O-N 2.92Å; D215-R219 WeakPolarHBondContact OD1-CD 3.41Å; D215-R219 IonicContact OD1-CZ 3.91Å; D215-R219 IonicContact OD1-NE 2.78Å; D215-R219 IonicContact OD1-NH1 3.53Å; D215-R219 PolarHBondContact OD1-NH1 3.32Å; R219-H221 PolarHBondContact O-N 3.34Å; R219-S222 WeakPolarHBondContact O-CB 3.2Å; R219-S222 PolarHBondContact O-N 3.2Å; R219-S222 VanDerWaalsContact O-N 3.09Å; R219-S222 PolarHBondContact O-OG 3.43Å | ||
| 220 | P | 69.9 | Low | 78.5 | Confident | 52 Ų | 52 | 70.3 Ų | 70.3 | 34% | 0.338 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -20.7 | -178.9 | 22.6 | -32.8 | 0 | 0 | 0 | 113.9 | E218 G226 K227 A230 | E218-P220 WeakPolarHBondContact O-CD 3.44Å; P220-G226 CarbonylContact O-C 3.53Å; P220-K227 WeakPolarHBondContact O-CG 3.46Å; P220-K227 PolarHBondContact O-N 3.14Å; P220-A230 HydrophobicContact CB-CB 3.7Å |
| 221 | H | 64.7 | Low | 79.1 | Confident | 149 Ų | 149 | 71.1 Ų | 71.1 | 69% | 0.69 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -2.2 | -178.8 | -57.6 | -67.6 | 0 | 0 | 0 | 114.6 | R219 G223 | R219-H221 PolarHBondContact O-N 3.34Å; H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 2.98Å |
| 222 | S | 66.4 | Low | 79.9 | Confident | 63 Ų | 63 | 71.1 Ų | 71.1 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -66.4 | -26.8 | -175.6 | 62.6 | 0 | 0 | 0 | 0 | 113.8 | D215 R219 | D215-S222 PolarHBondContact O-OG 3.05Å; R219-S222 WeakPolarHBondContact O-CB 3.2Å; R219-S222 PolarHBondContact O-N 3.2Å; R219-S222 VanDerWaalsContact O-N 3.09Å; R219-S222 PolarHBondContact O-OG 3.43Å |
| 223 | G | 79 | Confident | 80.6 | Confident | 26 Ų | 26 | 62 Ų | 62 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | S | Bend | trans | 176.7 | -176.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H221 P225 G226 K227 | H221-G223 VanDerWaalsContact C-N 3.29Å; H221-G223 PolarHBondContact O-N 2.98Å; G223-P225 VanDerWaalsContact C-CD 3.48Å; G223-G226 PolarHBondContact O-N 2.8Å; G223-K227 WeakPolarHBondContact O-CG 3.2Å; G223-K227 PolarHBondContact O-N 3.48Å; G223-K227 VanDerWaalsContact O-N 3.09Å |
| 224 | L | 82.9 | Confident | 81.1 | Confident | 140 Ų | 140 | 62.4 Ų | 62.4 | 73% | 0.733 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -51 | -47.7 | 174.2 | -166.6 | 85.5 | 0 | 0 | 0 | 113.5 | G226 K227 V228 | L224-G226 PolarHBondContact O-N 3.19Å; L224-K227 PolarHBondContact O-N 3.33Å; L224-V228 HydrophobicContact CG-CG2 4.49Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3Å |
| 225 | P | 85.5 | Confident | 81.7 | Confident | 76 Ų | 76 | 62.9 Ų | 62.9 | 49% | 0.494 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -37.1 | -178.1 | 25.2 | -34.7 | 0 | 0 | 0 | 112.9 | M216 G223 V228 F229 | M216-P225 HydrophobicContact CG-CB 4.14Å; M216-P225 HydrophobicContact SD-CB 4.22Å; G223-P225 VanDerWaalsContact C-CD 3.48Å; P225-V228 PolarHBondContact O-N 3.49Å; P225-F229 WeakPolarHBondContact O-CB 3.4Å; P225-F229 PolarHBondContact O-N 3.02Å |
| 226 | G | 85.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M216 P220 G223 L224 F229 A230 | M216-G226 WeakPolarHBondContact O-CA 3.3Å; P220-G226 CarbonylContact O-C 3.53Å; G223-G226 PolarHBondContact O-N 2.8Å; L224-G226 PolarHBondContact O-N 3.19Å; G226-F229 PolarHBondContact O-N 2.87Å; G226-A230 WeakPolarHBondContact O-CB 3.28Å; G226-A230 PolarHBondContact O-N 3.13Å |
| 227 | K | 86.7 | Confident | 83.1 | Confident | 126 Ų | 126 | 60.4 Ų | 60.4 | 55% | 0.548 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 174.6 | -70 | 179 | -177.2 | 179.6 | 0 | 111.9 | P220 G223 L224 C231 | P220-K227 WeakPolarHBondContact O-CG 3.46Å; P220-K227 PolarHBondContact O-N 3.14Å; G223-K227 WeakPolarHBondContact O-CG 3.2Å; G223-K227 PolarHBondContact O-N 3.48Å; G223-K227 VanDerWaalsContact O-N 3.09Å; L224-K227 PolarHBondContact O-N 3.33Å; K227-C231 VanDerWaalsContact O-CB 3.27Å; K227-C231 WeakPolarHBondContact O-CB 3.32Å; K227-C231 PolarHBondContact O-N 2.83Å |
| 228 | V | 89.6 | Confident | 83.5 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 46% | 0.461 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 176.9 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | L224 P225 A230 C231 L232 | L224-V228 HydrophobicContact CG-CG2 4.49Å; L224-V228 WeakPolarHBondContact O-CG2 3.48Å; L224-V228 PolarHBondContact O-N 3Å; P225-V228 PolarHBondContact O-N 3.49Å; V228-A230 PolarHBondContact O-N 3.45Å; V228-C231 PolarHBondContact O-N 3.24Å; V228-L232 HydrophobicContact CG1-CD1 4.06Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.1Å |
| 229 | F | 90 | Very high | 84.4 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 7% | 0.066 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.6 | -48.5 | 177.8 | -174.9 | -96.2 | 0 | 0 | 0 | 111.6 | M216 V217 P225 G226 C231 L232 S233 W278 E282 L285 | M216-F229 HydrophobicContact CE-CD2 4.08Å; M216-F229 HydrophobicContact CE-CE2 4.43Å; M216-F229 HydrophobicContact CG-CB 4.08Å; M216-F229 HydrophobicContact CG-CG 4.43Å; V217-F229 HydrophobicContact CB-CE1 4.35Å; V217-F229 HydrophobicContact CG1-CE1 4.2Å; V217-F229 HydrophobicContact CG1-CZ 4.38Å; V217-F229 HydrophobicContact CG2-CE1 4.2Å; V217-F229 HydrophobicContact CG2-CE2 4.41Å; V217-F229 HydrophobicContact CG2-CZ 4.01Å; P225-F229 WeakPolarHBondContact O-CB 3.4Å; P225-F229 PolarHBondContact O-N 3.02Å; G226-F229 PolarHBondContact O-N 2.87Å; F229-C231 PolarHBondContact O-N 3.28Å; F229-L232 PolarHBondContact O-N 2.9Å; F229-S233 PolarHBondContact O-N 3.48Å; F229-S233 PolarHBondContact O-OG 3.19Å; F229-W278 HydrophobicContact CD2-CH2 4.08Å; F229-W278 HydrophobicContact CD2-CZ2 4.04Å; F229-W278 HydrophobicContact CE2-CH2 4.06Å; F229-W278 AromaticContact CE2-CZ2 3.9Å; F229-W278 HydrophobicContact CE2-CZ2 3.9Å; F229-E282 HydrophobicContact CE2-CG 4.47Å; F229-E282 HydrophobicContact CZ-CB 4.48Å; F229-E282 HydrophobicContact CZ-CG 3.8Å; F229-L285 HydrophobicContact CE2-CD1 4.35Å |
| 230 | A | 86.7 | Confident | 85.5 | Confident | 21 Ų | 21 | 58 Ų | 58 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P220 G226 V228 S233 V234 | P220-A230 HydrophobicContact CB-CB 3.7Å; G226-A230 WeakPolarHBondContact O-CB 3.28Å; G226-A230 PolarHBondContact O-N 3.13Å; V228-A230 PolarHBondContact O-N 3.45Å; A230-S233 PolarHBondContact O-N 3.19Å; A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.1Å |
| 231 | C | 88.8 | Confident | 86.4 | Confident | 86 Ų | 86 | 57 Ų | 57 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 174.4 | -177 | 0 | 0 | 0 | 0 | 111.4 | K227 V228 F229 V234 L235 | K227-C231 VanDerWaalsContact O-CB 3.27Å; K227-C231 WeakPolarHBondContact O-CB 3.32Å; K227-C231 PolarHBondContact O-N 2.83Å; V228-C231 PolarHBondContact O-N 3.24Å; F229-C231 PolarHBondContact O-N 3.28Å; C231-V234 PolarHBondContact O-N 3.46Å; C231-L235 WeakPolarHBondContact O-CB 3.36Å; C231-L235 PolarHBondContact O-N 3.16Å |
| 232 | L | 91.1 | Very high | 87.7 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 32% | 0.319 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.2 | -72 | 174.7 | 0 | 0 | 0 | 111.5 | V228 F229 V234 L235 F236 W278 | V228-L232 HydrophobicContact CG1-CD1 4.06Å; V228-L232 HydrophobicContact CG1-CG 4.39Å; V228-L232 WeakPolarHBondContact O-CG 3.43Å; V228-L232 PolarHBondContact O-N 3.1Å; F229-L232 PolarHBondContact O-N 2.9Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.37Å; L232-L235 HydrophobicContact CD2-CD2 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 3.28Å; L232-L235 VanDerWaalsContact O-N 3.16Å; L232-F236 HydrophobicContact CB-CD2 4.49Å; L232-F236 VanDerWaalsContact O-CD2 3.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.38Å; L232-F236 PolarHBondContact O-N 2.92Å; L232-W278 HydrophobicContact CB-CH2 4.22Å; L232-W278 HydrophobicContact CB-CZ2 3.8Å; L232-W278 HydrophobicContact CD1-CH2 3.92Å; L232-W278 HydrophobicContact CD1-CZ2 4.35Å |
| 233 | S | 89.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55 | -47.2 | 175.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | F229 A230 F236 V237 E282 H359 | F229-S233 PolarHBondContact O-N 3.48Å; F229-S233 PolarHBondContact O-OG 3.19Å; A230-S233 PolarHBondContact O-N 3.19Å; S233-F236 PolarHBondContact O-N 3.29Å; S233-V237 WeakPolarHBondContact O-CG2 3.49Å; S233-V237 PolarHBondContact O-N 2.93Å; S233-V237 VanDerWaalsContact O-N 3.09Å; S233-E282 WeakPolarHBondContact CA-OE1 3.33Å; S233-E282 WeakPolarHBondContact CB-OE1 3.44Å; S233-E282 PolarHBondContact OG-OE1 2.92Å; S233-H359 VanDerWaalsContact CB-CE1 3.41Å; S233-H359 WeakPolarHBondContact CB-CE1 3.44Å; S233-H359 WeakPolarHBondContact CB-NE2 3.3Å |
| 234 | V | 89.7 | Confident | 89.1 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.4 | 174.3 | 0 | 0 | 0 | 0 | 111.2 | A230 C231 L232 V237 T238 H359 | A230-V234 WeakPolarHBondContact O-CG2 3.4Å; A230-V234 PolarHBondContact O-N 2.91Å; A230-V234 VanDerWaalsContact O-N 3.1Å; C231-V234 PolarHBondContact O-N 3.46Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-V234 PolarHBondContact O-N 3.37Å; V234-V237 PolarHBondContact O-N 2.92Å; V234-T238 WeakPolarHBondContact O-CG2 3.34Å; V234-T238 PolarHBondContact O-N 3.43Å; V234-T238 PolarHBondContact O-OG1 3.11Å; V234-H359 HydrophobicContact CG2-CB 3.96Å |
| 235 | L | 92.4 | Very high | 89.4 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 47% | 0.466 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.5 | 178.7 | 66.7 | 0 | 0 | 0 | 112.1 | C231 L232 V237 T238 V239 | C231-L235 WeakPolarHBondContact O-CB 3.36Å; C231-L235 PolarHBondContact O-N 3.16Å; L232-L235 HydrophobicContact CD2-CD2 4.34Å; L232-L235 WeakPolarHBondContact O-CB 3.47Å; L232-L235 PolarHBondContact O-N 3.28Å; L232-L235 VanDerWaalsContact O-N 3.16Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.09Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 2.97Å; L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.28Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 2.96Å |
| 236 | F | 92.5 | Very high | 89.5 | Confident | 42 Ų | 42 | 47.8 Ų | 47.8 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 177.5 | -83.6 | -74.2 | 0 | 0 | 0 | 111.6 | L232 S233 V239 T240 V274 C275 W278 F279 | L232-F236 HydrophobicContact CB-CD2 4.49Å; L232-F236 VanDerWaalsContact O-CD2 3.23Å; L232-F236 WeakPolarHBondContact O-CD2 3.38Å; L232-F236 PolarHBondContact O-N 2.92Å; S233-F236 PolarHBondContact O-N 3.29Å; F236-V239 PolarHBondContact O-N 3.05Å; F236-T240 WeakPolarHBondContact O-CG2 3.47Å; F236-T240 PolarHBondContact O-N 3.47Å; F236-T240 PolarHBondContact O-OG1 3.34Å; F236-V274 HydrophobicContact CE1-CG1 4.13Å; F236-C275 HydrophobicContact CD1-CB 4.33Å; F236-W278 HydrophobicContact CB-CG 4.46Å; F236-W278 HydrophobicContact CD1-CB 4.2Å; F236-W278 HydrophobicContact CD1-CG 4.29Å; F236-W278 HydrophobicContact CD2-CB 4.27Å; F236-W278 AromaticContact CD2-CD1 3.38Å; F236-W278 AromaticContact CD2-CD2 3.72Å; F236-W278 HydrophobicContact CD2-CD2 3.72Å; F236-W278 AromaticContact CD2-CE2 3.74Å; F236-W278 AromaticContact CD2-CG 3.52Å; F236-W278 HydrophobicContact CD2-CG 3.52Å; F236-W278 AromaticContact CD2-NE1 3.54Å; F236-W278 HydrophobicContact CE1-CB 4.23Å; F236-W278 HydrophobicContact CE1-CG 4.46Å; F236-W278 HydrophobicContact CE2-CB 4.3Å; F236-W278 AromaticContact CE2-CD2 3.62Å; F236-W278 HydrophobicContact CE2-CD2 3.62Å; F236-W278 AromaticContact CE2-CE2 3.96Å; F236-W278 AromaticContact CE2-CE3 3.99Å; F236-W278 HydrophobicContact CE2-CE3 3.99Å; F236-W278 AromaticContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CG-CB 4.23Å; F236-W278 AromaticContact CG-CD1 3.57Å; F236-W278 HydrophobicContact CG-CD2 4.49Å; F236-W278 AromaticContact CG-CG 3.84Å; F236-W278 HydrophobicContact CG-CG 3.84Å; F236-W278 HydrophobicContact CZ-CB 4.29Å; F236-W278 HydrophobicContact CZ-CD2 4.32Å; F236-W278 HydrophobicContact CZ-CG 4.2Å; F236-F279 HydrophobicContact CB-CE1 3.78Å; F236-F279 HydrophobicContact CB-CZ 4.34Å |
| 237 | V | 90.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 173 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | S233 V234 L235 T240 A241 F279 R355 L356 | S233-V237 WeakPolarHBondContact O-CG2 3.49Å; S233-V237 PolarHBondContact O-N 2.93Å; S233-V237 VanDerWaalsContact O-N 3.09Å; V234-V237 PolarHBondContact O-N 2.92Å; L235-V237 VanDerWaalsContact C-N 3.32Å; L235-V237 PolarHBondContact O-N 3.09Å; V237-T240 WeakPolarHBondContact CA-OG1 3.5Å; V237-T240 PolarHBondContact O-N 2.87Å; V237-T240 PolarHBondContact O-OG1 3.03Å; V237-A241 PolarHBondContact O-N 3.36Å; V237-F279 HydrophobicContact CG2-CE1 4.16Å; V237-F279 HydrophobicContact CG2-CZ 4.07Å; V237-R355 HydrophobicContact CG2-CB 4.36Å; V237-L356 HydrophobicContact CG1-CB 4.46Å |
| 238 | T | 90.2 | Very high | 89.3 | Confident | 70 Ų | 70 | 46 Ų | 46 | 43% | 0.429 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -42 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | V234 L235 T240 A241 V242 | V234-T238 WeakPolarHBondContact O-CG2 3.34Å; V234-T238 PolarHBondContact O-N 3.43Å; V234-T238 PolarHBondContact O-OG1 3.11Å; L235-T238 PolarHBondContact O-N 3.45Å; L235-T238 PolarHBondContact O-OG1 2.97Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.28Å; T238-A241 PolarHBondContact O-N 3.24Å; T238-V242 WeakPolarHBondContact O-CG2 3.41Å; T238-V242 PolarHBondContact O-N 3.21Å |
| 239 | V | 92.6 | Very high | 89.2 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 33% | 0.333 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L235 F236 A241 V242 N243 V271 | L235-V239 HydrophobicContact CD1-CG2 4.38Å; L235-V239 HydrophobicContact CG-CG2 4.5Å; L235-V239 VanDerWaalsContact O-CG2 3.28Å; L235-V239 WeakPolarHBondContact O-CG2 3.26Å; L235-V239 PolarHBondContact O-N 2.96Å; F236-V239 PolarHBondContact O-N 3.05Å; V239-A241 PolarHBondContact O-N 2.98Å; V239-V242 PolarHBondContact O-N 3.48Å; V239-N243 WeakPolarHBondContact O-CB 3.48Å; V239-N243 PolarHBondContact O-N 3.31Å; V239-V271 HydrophobicContact CG1-CG1 3.79Å |
| 240 | T | 90.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 176.7 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | F236 V237 T238 N243 L244 C275 F279 Y352 | F236-T240 WeakPolarHBondContact O-CG2 3.47Å; F236-T240 PolarHBondContact O-N 3.47Å; F236-T240 PolarHBondContact O-OG1 3.34Å; V237-T240 WeakPolarHBondContact CA-OG1 3.5Å; V237-T240 PolarHBondContact O-N 2.87Å; V237-T240 PolarHBondContact O-OG1 3.03Å; T238-T240 VanDerWaalsContact C-N 3.31Å; T238-T240 PolarHBondContact O-N 3.28Å; T240-N243 PolarHBondContact O-N 2.72Å; T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 PolarHBondContact O-N 2.72Å; T240-C275 HydrophobicContact CG2-CB 3.22Å; T240-C275 VanDerWaalsContact CG2-SG 3.58Å; T240-F279 HydrophobicContact CG2-CE2 3.64Å; T240-F279 HydrophobicContact CG2-CZ 3.81Å; T240-Y352 HydrophobicContact CG2-CD2 4.37Å |
| 241 | A | 89.6 | Confident | 88.5 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 26% | 0.264 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V237 T238 V239 L244 S245 V353 | V237-A241 PolarHBondContact O-N 3.36Å; T238-A241 PolarHBondContact O-N 3.24Å; V239-A241 PolarHBondContact O-N 2.98Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.43Å; A241-S245 PolarHBondContact O-N 2.93Å; A241-S245 PolarHBondContact O-OG 2.81Å; A241-S245 VanDerWaalsContact O-OG 3.13Å; A241-V353 HydrophobicContact CB-CG2 4.22Å |
| 242 | V | 91.1 | Very high | 88 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.4 | -45.3 | 175.1 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | T238 V239 L244 S245 V246 | T238-V242 WeakPolarHBondContact O-CG2 3.41Å; T238-V242 PolarHBondContact O-N 3.21Å; V239-V242 PolarHBondContact O-N 3.48Å; V242-L244 VanDerWaalsContact C-N 3.28Å; V242-L244 PolarHBondContact O-N 2.9Å; V242-S245 WeakPolarHBondContact O-CB 3.04Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-N 3.13Å; V242-V246 HydrophobicContact CG1-CG2 4.42Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 2.91Å |
| 243 | N | 89.4 | Confident | 87.2 | Confident | 19 Ų | 19 | 51.3 Ų | 51.3 | 10% | 0.102 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 178.3 | -165.2 | 54.2 | 0 | 0 | 0 | 111.7 | V239 T240 V246 S247 V268 V271 | V239-N243 WeakPolarHBondContact O-CB 3.48Å; V239-N243 PolarHBondContact O-N 3.31Å; T240-N243 PolarHBondContact O-N 2.72Å; N243-V246 PolarHBondContact O-N 3.3Å; N243-S247 WeakPolarHBondContact O-CB 3.47Å; N243-S247 PolarHBondContact O-N 3.31Å; N243-V268 PolarHBondContact ND2-O 3.32Å; N243-V271 HydrophobicContact CB-CG1 4.31Å |
| 244 | L | 86.8 | Confident | 86.6 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 19% | 0.194 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -48.1 | 173.3 | -178.6 | 64.6 | 0 | 0 | 0 | 111 | T240 A241 V242 V246 S247 T248 R349 I350 | T240-L244 WeakPolarHBondContact O-CB 3.35Å; T240-L244 PolarHBondContact O-N 2.72Å; A241-L244 WeakPolarHBondContact O-CB 3.39Å; A241-L244 PolarHBondContact O-N 3.43Å; V242-L244 VanDerWaalsContact C-N 3.28Å; V242-L244 PolarHBondContact O-N 2.9Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.94Å; L244-S247 PolarHBondContact O-N 2.87Å; L244-S247 PolarHBondContact O-OG 3.17Å; L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.42Å; L244-R349 HydrophobicContact CD1-CB 3.95Å; L244-I350 HydrophobicContact CD2-CB 4.2Å; L244-I350 HydrophobicContact CD2-CG1 4.24Å |
| 245 | S | 87.8 | Confident | 85.9 | Confident | 77 Ų | 77 | 57.1 Ų | 57.1 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 177.3 | -55.2 | 0 | 0 | 0 | 0 | 112 | A241 V242 T248 | A241-S245 PolarHBondContact O-N 2.93Å; A241-S245 PolarHBondContact O-OG 2.81Å; A241-S245 VanDerWaalsContact O-OG 3.13Å; V242-S245 WeakPolarHBondContact O-CB 3.04Å; V242-S245 PolarHBondContact O-N 3.45Å; V242-S245 VanDerWaalsContact O-N 3.13Å; S245-T248 PolarHBondContact O-N 2.87Å; S245-T248 PolarHBondContact O-OG1 3.44Å |
| 246 | V | 89 | Confident | 84.8 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 176.7 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | V242 N243 L244 T248 L249 L252 M264 V268 | V242-V246 HydrophobicContact CG1-CG2 4.42Å; V242-V246 WeakPolarHBondContact O-CG2 3.23Å; V242-V246 PolarHBondContact O-N 2.91Å; N243-V246 PolarHBondContact O-N 3.3Å; L244-V246 VanDerWaalsContact C-N 3.33Å; L244-V246 PolarHBondContact O-N 2.94Å; V246-T248 PolarHBondContact O-N 3.45Å; V246-T248 VanDerWaalsContact O-N 3.08Å; V246-L249 HydrophobicContact CG1-CD1 4.27Å; V246-L249 VanDerWaalsContact O-CB 3.31Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.73Å; V246-L252 HydrophobicContact CG1-CD1 3.74Å; V246-L252 WeakPolarHBondContact O-CD1 3.45Å; V246-M264 HydrophobicContact CG1-CE 3.9Å; V246-V268 HydrophobicContact CG1-CG2 3.99Å |
| 247 | S | 83.1 | Confident | 83.6 | Confident | 24 Ų | 24 | 63 Ų | 63 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.2 | -16.9 | 179.3 | 76.6 | 0 | 0 | 0 | 0 | 114 | N243 L244 | N243-S247 WeakPolarHBondContact O-CB 3.47Å; N243-S247 PolarHBondContact O-N 3.31Å; L244-S247 PolarHBondContact O-N 2.87Å; L244-S247 PolarHBondContact O-OG 3.17Å |
| 248 | T | 84 | Confident | 82.7 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.8 | 175.2 | 62.2 | 0 | 0 | 0 | 0 | 114.6 | L244 S245 V246 | L244-T248 WeakPolarHBondContact O-CG2 3.26Å; L244-T248 PolarHBondContact O-N 3.42Å; S245-T248 PolarHBondContact O-N 2.87Å; S245-T248 PolarHBondContact O-OG1 3.44Å; V246-T248 PolarHBondContact O-N 3.45Å; V246-T248 VanDerWaalsContact O-N 3.08Å |
| 249 | L | 86.8 | Confident | 81.5 | Confident | 83 Ų | 83 | 69.1 Ų | 69.1 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | trans | -61.7 | 138.7 | 179.7 | -70.5 | 171.1 | 0 | 0 | 0 | 111.3 | V246 S251 L252 R253 | V246-L249 HydrophobicContact CG1-CD1 4.27Å; V246-L249 VanDerWaalsContact O-CB 3.31Å; V246-L249 WeakPolarHBondContact O-CB 3.43Å; V246-L249 WeakPolarHBondContact O-CG 3.31Å; V246-L249 PolarHBondContact O-N 2.73Å; L249-S251 VanDerWaalsContact C-N 3.29Å; L249-S251 PolarHBondContact O-N 3.14Å; L249-L252 PolarHBondContact O-N 2.96Å; L249-R253 PolarHBondContact O-N 2.86Å; L249-R253 VanDerWaalsContact O-N 3.17Å | ||
| 250 | P | 82.6 | Confident | 80.4 | Confident | 83 Ų | 83 | 73 Ų | 73 | 54% | 0.539 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61 | -37.7 | -174.7 | 23.4 | -32.9 | 0 | 0 | 0 | 112.3 | L252 R253 E254 | P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.29Å; P250-R253 PolarHBondContact O-N 3.35Å; P250-R253 VanDerWaalsContact O-N 3.15Å; P250-E254 WeakPolarHBondContact O-CB 3.19Å; P250-E254 WeakPolarHBondContact O-CG 3.45Å; P250-E254 PolarHBondContact O-N 2.98Å |
| 251 | S | 81.3 | Confident | 79.5 | Confident | 68 Ų | 68 | 76.5 Ų | 76.5 | 48% | 0.476 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.2 | -40.8 | 177.3 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | L249 E255 | L249-S251 VanDerWaalsContact C-N 3.29Å; L249-S251 PolarHBondContact O-N 3.14Å; S251-E255 WeakPolarHBondContact O-CG 3.16Å; S251-E255 PolarHBondContact O-N 3.34Å |
| 252 | L | 76.7 | Confident | 79 | Confident | 19 Ų | 19 | 77.4 Ų | 77.4 | 10% | 0.099 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -76.8 | -30.4 | 178.5 | -72.3 | 170.4 | 0 | 0 | 0 | 112.3 | V246 L249 P250 E256 M264 C265 V268 | V246-L252 HydrophobicContact CG1-CD1 3.74Å; V246-L252 WeakPolarHBondContact O-CD1 3.45Å; L249-L252 PolarHBondContact O-N 2.96Å; P250-L252 VanDerWaalsContact C-N 3.32Å; P250-L252 PolarHBondContact O-N 3.29Å; L252-E256 WeakPolarHBondContact O-CB 3.38Å; L252-E256 PolarHBondContact O-N 3.2Å; L252-E256 VanDerWaalsContact O-N 3.14Å; L252-M264 HydrophobicContact CD1-CG 4.41Å; L252-M264 HydrophobicContact CD2-CB 4.05Å; L252-M264 HydrophobicContact CD2-CG 3.92Å; L252-C265 HydrophobicContact CD2-CB 4.4Å; L252-V268 HydrophobicContact CD1-CG2 4.49Å |
| 253 | R | 75.9 | Confident | 78.6 | Confident | 117 Ų | 117 | 79.6 Ų | 79.6 | 44% | 0.442 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.4 | -42.3 | 175.9 | -75 | -175.8 | 169.2 | -179.3 | -0.3 | 112.3 | L249 P250 E255 E256 E257 | L249-R253 PolarHBondContact O-N 2.86Å; L249-R253 VanDerWaalsContact O-N 3.17Å; P250-R253 PolarHBondContact O-N 3.35Å; P250-R253 VanDerWaalsContact O-N 3.15Å; R253-E255 VanDerWaalsContact C-N 3.34Å; R253-E256 PolarHBondContact O-N 3.11Å; R253-E257 WeakPolarHBondContact O-CG 3.43Å; R253-E257 PolarHBondContact O-N 2.78Å |
| 254 | E | 77.1 | Confident | 78.1 | Confident | 113 Ų | 113 | 83.1 Ų | 83.1 | 53% | 0.528 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.2 | -72.2 | 170.5 | -162.2 | 0 | 0 | 111.3 | P250 E257 Q258 | P250-E254 WeakPolarHBondContact O-CB 3.19Å; P250-E254 WeakPolarHBondContact O-CG 3.45Å; P250-E254 PolarHBondContact O-N 2.98Å; E254-E257 PolarHBondContact O-N 3.19Å; E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 VanDerWaalsContact O-CG 3.23Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.19Å |
| 255 | E | 73.9 | Confident | 78 | Confident | 63 Ų | 63 | 83 Ų | 83 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.7 | -43.4 | 173.6 | -79.3 | -176.6 | -179.6 | 0 | 0 | 112.4 | S251 R253 Q258 G259 H260 S262 | S251-E255 WeakPolarHBondContact O-CG 3.16Å; S251-E255 PolarHBondContact O-N 3.34Å; R253-E255 VanDerWaalsContact C-N 3.34Å; E255-Q258 PolarHBondContact O-N 2.78Å; E255-G259 PolarHBondContact O-N 2.91Å; E255-H260 CarbonylContact C-O 3.49Å; E255-H260 WeakPolarHBondContact CB-O 3.3Å; E255-H260 PolarHBondContact O-N 3.16Å; E255-H260 VanDerWaalsContact O-N 3.09Å; E255-H260 VanDerWaalsContact O-O 3.04Å; E255-S262 WeakPolarHBondContact OE2-CB 3.46Å |
| 256 | E | 68.9 | Low | 77.8 | Confident | 94 Ų | 94 | 83.9 Ų | 83.9 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.9 | -167.7 | -177.3 | -163.4 | 0 | 0 | 112.1 | L252 R253 Q258 G259 R346 | L252-E256 WeakPolarHBondContact O-CB 3.38Å; L252-E256 PolarHBondContact O-N 3.2Å; L252-E256 VanDerWaalsContact O-N 3.14Å; R253-E256 PolarHBondContact O-N 3.11Å; E256-Q258 VanDerWaalsContact C-N 3.32Å; E256-Q258 PolarHBondContact O-N 3.32Å; E256-G259 PolarHBondContact O-N 3Å; E256-R346 VanDerWaalsContact CD-NH2 3.26Å; E256-R346 IonicContact OE1-CZ 3.25Å; E256-R346 IonicContact OE1-NH1 2.69Å; E256-R346 IonicContact OE1-NH2 3.23Å; E256-R346 PolarHBondContact OE1-NH2 3.11Å; E256-R346 IonicContact OE2-CZ 2.72Å; E256-R346 VanDerWaalsContact OE2-CZ 3.25Å; E256-R346 IonicContact OE2-NH1 3.47Å; E256-R346 PolarHBondContact OE2-NH1 2.65Å; E256-R346 IonicContact OE2-NH2 3.05Å; E256-R346 PolarHBondContact OE2-NH2 2.8Å |
| 257 | E | 68.7 | Low | 77.9 | Confident | 160 Ų | 160 | 85.6 Ų | 85.6 | 75% | 0.748 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -68.1 | -30.9 | 177.1 | -73.9 | -177.3 | 173.6 | 0 | 0 | 112.8 | R253 E254 G259 | R253-E257 WeakPolarHBondContact O-CG 3.43Å; R253-E257 PolarHBondContact O-N 2.78Å; E254-E257 PolarHBondContact O-N 3.19Å; E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 2.72Å |
| 258 | Q | 70.4 | Confident | 78.1 | Confident | 137 Ų | 137 | 85.3 Ų | 85.3 | 64% | 0.64 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.3 | 174.7 | -69.3 | 173 | 17.8 | 0 | 0 | 113.1 | E254 E255 E256 H260 | E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 VanDerWaalsContact O-CG 3.23Å; E254-Q258 WeakPolarHBondContact O-CG 3.39Å; E254-Q258 PolarHBondContact O-N 3.19Å; E255-Q258 PolarHBondContact O-N 2.78Å; E256-Q258 VanDerWaalsContact C-N 3.32Å; E256-Q258 PolarHBondContact O-N 3.32Å; Q258-H260 VanDerWaalsContact C-N 3.27Å; Q258-H260 PolarHBondContact O-CD2 3.05Å; Q258-H260 PolarHBondContact O-N 3.47Å |
| 259 | G | 65.2 | Low | 78.2 | Confident | 69 Ų | 69 | 87 Ų | 87 | 71% | 0.711 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 13.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E255 E256 E257 | E255-G259 PolarHBondContact O-N 2.91Å; E256-G259 PolarHBondContact O-N 3Å; E257-G259 VanDerWaalsContact C-N 3.26Å; E257-G259 PolarHBondContact O-N 2.72Å |
| 260 | H | 70.7 | Confident | 78.5 | Confident | 137 Ų | 137 | 86.5 Ų | 86.5 | 63% | 0.634 | 45% | 0.454 | S | S | * | . | trans | -104.9 | 109.2 | 176.6 | -75 | -79.3 | 0 | 0 | 0 | 109.5 | E255 Q258 S262 | E255-H260 CarbonylContact C-O 3.49Å; E255-H260 WeakPolarHBondContact CB-O 3.3Å; E255-H260 PolarHBondContact O-N 3.16Å; E255-H260 VanDerWaalsContact O-N 3.09Å; E255-H260 VanDerWaalsContact O-O 3.04Å; Q258-H260 VanDerWaalsContact C-N 3.27Å; Q258-H260 PolarHBondContact O-CD2 3.05Å; Q258-H260 PolarHBondContact O-N 3.47Å; H260-S262 PolarHBondContact O-N 3.38Å | ||
| 261 | C | 70.7 | Confident | 78.9 | Confident | 82 Ų | 82 | 85.1 Ų | 85.1 | 55% | 0.554 | 44% | 0.444 | S | S | * | . | trans | -92.5 | 105.8 | 175.5 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | C265 | C261-C265 HydrophobicContact CB-CB 4.08Å; C261-C265 WeakPolarHBondContact CB-SG 3.34Å; C261-C265 WeakPolarHBondContact SG-CB 3.37Å; C261-C265 CovalentContact SG-SG 2.06Å; C261-C265 PolarHBondContact SG-SG 3.17Å | ||
| 262 | S | 78.8 | Confident | 79.3 | Confident | 51 Ų | 51 | 82.5 Ų | 82.5 | 36% | 0.357 | 43% | 0.425 | S | S | . | . | trans | -63.7 | 166.6 | 170.8 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | E255 H260 M264 C265 H266 | E255-S262 WeakPolarHBondContact OE2-CB 3.46Å; H260-S262 PolarHBondContact O-N 3.38Å; S262-M264 PolarHBondContact O-N 3.27Å; S262-M264 VanDerWaalsContact O-N 3.11Å; S262-C265 WeakPolarHBondContact O-CB 3.19Å; S262-C265 PolarHBondContact O-N 3.22Å; S262-H266 PolarHBondContact O-N 3.13Å; S262-H266 VanDerWaalsContact O-N 3.1Å | ||
| 263 | Q | 82.4 | Confident | 80 | Confident | 139 Ų | 139 | 83 Ų | 83 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -52.1 | -34.5 | 173 | -168.6 | 75.4 | 8 | 0 | 0 | 111.7 | H266 N267 | Q263-H266 PolarHBondContact O-N 3.13Å; Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 2.89Å; Q263-N267 PolarHBondContact O-ND2 3.12Å |
| 264 | M | 80.3 | Confident | 80.9 | Confident | 93 Ų | 93 | 81.5 Ų | 81.5 | 46% | 0.458 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 178.8 | -168.2 | 62.5 | -179 | 0 | 0 | 112.4 | V246 L252 S262 H266 N267 V268 | V246-M264 HydrophobicContact CG1-CE 3.9Å; L252-M264 HydrophobicContact CD1-CG 4.41Å; L252-M264 HydrophobicContact CD2-CB 4.05Å; L252-M264 HydrophobicContact CD2-CG 3.92Å; S262-M264 PolarHBondContact O-N 3.27Å; S262-M264 VanDerWaalsContact O-N 3.11Å; M264-H266 VanDerWaalsContact C-N 3.33Å; M264-H266 PolarHBondContact O-N 2.98Å; M264-N267 PolarHBondContact O-N 3.09Å; M264-V268 VanDerWaalsContact O-CG2 3.29Å; M264-V268 WeakPolarHBondContact O-CG2 3.34Å; M264-V268 PolarHBondContact O-N 3.3Å |
| 265 | C | 82.7 | Confident | 81.6 | Confident | 34 Ų | 34 | 76.2 Ų | 76.2 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 172.9 | 158 | 0 | 0 | 0 | 0 | 111.1 | L252 C261 S262 V268 F269 | L252-C265 HydrophobicContact CD2-CB 4.4Å; C261-C265 HydrophobicContact CB-CB 4.08Å; C261-C265 WeakPolarHBondContact CB-SG 3.34Å; C261-C265 WeakPolarHBondContact SG-CB 3.37Å; C261-C265 CovalentContact SG-SG 2.06Å; C261-C265 PolarHBondContact SG-SG 3.17Å; S262-C265 WeakPolarHBondContact O-CB 3.19Å; S262-C265 PolarHBondContact O-N 3.22Å; C265-V268 PolarHBondContact O-N 3.17Å; C265-F269 PolarHBondContact O-N 2.63Å |
| 266 | H | 85.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 73.2 Ų | 73.2 | 44% | 0.444 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.1 | -169.6 | 75.3 | 0 | 0 | 0 | 112.5 | S262 Q263 M264 V268 F269 I270 | S262-H266 PolarHBondContact O-N 3.13Å; S262-H266 VanDerWaalsContact O-N 3.1Å; Q263-H266 PolarHBondContact O-N 3.13Å; M264-H266 VanDerWaalsContact C-N 3.33Å; M264-H266 PolarHBondContact O-N 2.98Å; H266-V268 PolarHBondContact O-N 3.41Å; H266-F269 PolarHBondContact O-N 2.9Å; H266-I270 WeakPolarHBondContact CD2-CD1 3.47Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.41Å; H266-I270 WeakPolarHBondContact O-CG1 3.41Å; H266-I270 PolarHBondContact O-N 3.49Å |
| 267 | N | 89.4 | Confident | 83.7 | Confident | 70 Ų | 70 | 70.5 Ų | 70.5 | 37% | 0.374 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 177 | -70.2 | -22.4 | 0 | 0 | 0 | 112 | Q263 M264 F269 I270 V271 | Q263-N267 WeakPolarHBondContact O-CB 3.44Å; Q263-N267 PolarHBondContact O-N 2.89Å; Q263-N267 PolarHBondContact O-ND2 3.12Å; M264-N267 PolarHBondContact O-N 3.09Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.28Å; N267-I270 PolarHBondContact O-N 2.97Å; N267-V271 VanDerWaalsContact O-CG2 3.32Å; N267-V271 WeakPolarHBondContact O-CG2 3.47Å; N267-V271 PolarHBondContact O-N 3.33Å |
| 268 | V | 88.4 | Confident | 85 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 175.9 | 166.1 | 0 | 0 | 0 | 0 | 111.1 | N243 V246 L252 M264 C265 H266 V271 E272 | N243-V268 PolarHBondContact ND2-O 3.32Å; V246-V268 HydrophobicContact CG1-CG2 3.99Å; L252-V268 HydrophobicContact CD1-CG2 4.49Å; M264-V268 VanDerWaalsContact O-CG2 3.29Å; M264-V268 WeakPolarHBondContact O-CG2 3.34Å; M264-V268 PolarHBondContact O-N 3.3Å; C265-V268 PolarHBondContact O-N 3.17Å; H266-V268 PolarHBondContact O-N 3.41Å; V268-V271 PolarHBondContact O-N 3.41Å; V268-E272 WeakPolarHBondContact O-CB 3.3Å; V268-E272 PolarHBondContact O-N 2.93Å |
| 269 | F | 86.7 | Confident | 86 | Confident | 101 Ų | 101 | 58.6 Ų | 58.6 | 44% | 0.443 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 175.3 | 177.8 | -98.2 | 0 | 0 | 0 | 112.6 | C265 H266 N267 E272 S273 Y312 | C265-F269 PolarHBondContact O-N 2.63Å; H266-F269 PolarHBondContact O-N 2.9Å; N267-F269 VanDerWaalsContact C-N 3.33Å; N267-F269 PolarHBondContact O-N 3.28Å; F269-E272 PolarHBondContact O-N 3.41Å; F269-S273 WeakPolarHBondContact O-CB 3.47Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.19Å; F269-Y312 HydrophobicContact CE2-CE2 4.22Å |
| 270 | I | 91.3 | Very high | 87.4 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 38% | 0.379 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -50 | 175.2 | -70.2 | 167 | 0 | 0 | 0 | 110.2 | H266 N267 E272 S273 V274 | H266-I270 WeakPolarHBondContact CD2-CD1 3.47Å; H266-I270 WeakPolarHBondContact NE2-CD1 3.41Å; H266-I270 WeakPolarHBondContact O-CG1 3.41Å; H266-I270 PolarHBondContact O-N 3.49Å; N267-I270 PolarHBondContact O-N 2.97Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.04Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.07Å; I270-V274 HydrophobicContact CG2-CG2 4.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3.26Å |
| 271 | V | 92.1 | Very high | 88.5 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 32% | 0.321 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.1 | -46.1 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | V239 N243 N267 V268 S273 V274 C275 | V239-V271 HydrophobicContact CG1-CG1 3.79Å; N243-V271 HydrophobicContact CB-CG1 4.31Å; N267-V271 VanDerWaalsContact O-CG2 3.32Å; N267-V271 WeakPolarHBondContact O-CG2 3.47Å; N267-V271 PolarHBondContact O-N 3.33Å; V268-V271 PolarHBondContact O-N 3.41Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.27Å; V271-V274 PolarHBondContact O-N 3.03Å; V271-C275 PolarHBondContact O-N 3.46Å; V271-C275 PolarHBondContact O-SG 3Å |
| 272 | E | 90.1 | Very high | 89.5 | Confident | 14 Ų | 14 | 49.8 Ų | 49.8 | 7% | 0.065 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57 | -47.2 | 175.5 | -171.7 | 175.8 | 177.7 | 0 | 0 | 111.8 | V268 F269 I270 V274 C275 V276 Y312 R349 | V268-E272 WeakPolarHBondContact O-CB 3.3Å; V268-E272 PolarHBondContact O-N 2.93Å; F269-E272 PolarHBondContact O-N 3.41Å; I270-E272 VanDerWaalsContact C-N 3.32Å; I270-E272 PolarHBondContact O-N 3.04Å; E272-V274 PolarHBondContact O-N 3.29Å; E272-C275 PolarHBondContact O-N 3.36Å; E272-V276 HydrophobicContact CG-CG2 4.4Å; E272-V276 WeakPolarHBondContact O-CB 3.29Å; E272-V276 WeakPolarHBondContact O-CG2 3.32Å; E272-V276 PolarHBondContact O-N 2.99Å; E272-Y312 HydrophobicContact CG-CD2 4.07Å; E272-Y312 HydrophobicContact CG-CE2 4.38Å; E272-R349 IonicContact OE1-CZ 3.09Å; E272-R349 IonicContact OE1-NE 3.4Å; E272-R349 PolarHBondContact OE1-NE 2.86Å; E272-R349 IonicContact OE1-NH1 2.96Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.71Å; E272-R349 PolarHBondContact OE1-NH2 2.81Å; E272-R349 VanDerWaalsContact OE1-NH2 3.12Å; E272-R349 IonicContact OE2-CZ 2.79Å; E272-R349 IonicContact OE2-NH1 2.93Å; E272-R349 PolarHBondContact OE2-NH1 2.83Å; E272-R349 IonicContact OE2-NH2 3.12Å |
| 273 | S | 91.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 21% | 0.21 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -41.8 | -180 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | F269 I270 V271 G277 Y312 | F269-S273 WeakPolarHBondContact O-CB 3.47Å; F269-S273 PolarHBondContact O-N 2.96Å; F269-S273 PolarHBondContact O-OG 3.19Å; I270-S273 WeakPolarHBondContact O-CB 3.23Å; I270-S273 PolarHBondContact O-N 3.07Å; V271-S273 VanDerWaalsContact C-N 3.34Å; V271-S273 PolarHBondContact O-N 3.27Å; S273-G277 PolarHBondContact O-N 2.72Å; S273-Y312 VanDerWaalsContact CB-OH 3.26Å; S273-Y312 WeakPolarHBondContact CB-OH 3.49Å; S273-Y312 PolarHBondContact OG-OH 3.42Å |
| 274 | V | 94.6 | Very high | 90.5 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 110.8 | F236 I270 V271 E272 G277 W278 | F236-V274 HydrophobicContact CE1-CG1 4.13Å; I270-V274 HydrophobicContact CG2-CG2 4.31Å; I270-V274 WeakPolarHBondContact O-CG2 3.45Å; I270-V274 PolarHBondContact O-N 3.26Å; V271-V274 PolarHBondContact O-N 3.03Å; E272-V274 PolarHBondContact O-N 3.29Å; V274-G277 PolarHBondContact O-N 2.78Å; V274-W278 PolarHBondContact O-N 2.6Å |
| 275 | C | 92.6 | Very high | 90.9 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | F236 T240 V271 E272 G277 W278 F279 | F236-C275 HydrophobicContact CD1-CB 4.33Å; T240-C275 HydrophobicContact CG2-CB 3.22Å; T240-C275 VanDerWaalsContact CG2-SG 3.58Å; V271-C275 PolarHBondContact O-N 3.46Å; V271-C275 PolarHBondContact O-SG 3Å; E272-C275 PolarHBondContact O-N 3.36Å; C275-G277 VanDerWaalsContact C-N 3.29Å; C275-G277 PolarHBondContact O-N 3.25Å; C275-W278 WeakPolarHBondContact O-CB 3.28Å; C275-W278 PolarHBondContact O-N 2.97Å; C275-F279 WeakPolarHBondContact O-CB 3.5Å; C275-F279 WeakPolarHBondContact O-CD1 3.47Å; C275-F279 WeakPolarHBondContact O-CD2 3.42Å; C275-F279 WeakPolarHBondContact O-CG 3.18Å; C275-F279 PolarHBondContact O-N 3.49Å |
| 276 | V | 92.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.7 | -37.7 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | E272 W278 F279 S280 I309 Y312 Y313 Y352 | E272-V276 HydrophobicContact CG-CG2 4.4Å; E272-V276 WeakPolarHBondContact O-CB 3.29Å; E272-V276 WeakPolarHBondContact O-CG2 3.32Å; E272-V276 PolarHBondContact O-N 2.99Å; V276-W278 PolarHBondContact O-N 3.36Å; V276-F279 WeakPolarHBondContact O-CB 2.95Å; V276-F279 PolarHBondContact O-N 3.27Å; V276-S280 WeakPolarHBondContact O-CB 3.04Å; V276-S280 PolarHBondContact O-N 3.05Å; V276-S280 PolarHBondContact O-OG 3.11Å; V276-S280 VanDerWaalsContact O-OG 3.08Å; V276-I309 HydrophobicContact CG1-CB 4.4Å; V276-I309 HydrophobicContact CG1-CG2 4.42Å; V276-Y312 HydrophobicContact CB-CD1 4.28Å; V276-Y312 HydrophobicContact CB-CG 4.21Å; V276-Y312 HydrophobicContact CG1-CD1 3.73Å; V276-Y312 HydrophobicContact CG1-CE1 4.41Å; V276-Y312 HydrophobicContact CG1-CG 3.94Å; V276-Y312 HydrophobicContact CG2-CD2 4.19Å; V276-Y312 HydrophobicContact CG2-CG 4Å; V276-Y313 HydrophobicContact CG1-CE2 3.9Å; V276-Y352 HydrophobicContact CG2-CE2 4.14Å |
| 277 | G | 94.4 | Very high | 91.3 | Very high | 36 Ų | 36 | 39.7 Ų | 39.7 | 37% | 0.371 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.1 | -47.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S273 V274 C275 F279 S280 L281 | S273-G277 PolarHBondContact O-N 2.72Å; V274-G277 PolarHBondContact O-N 2.78Å; C275-G277 VanDerWaalsContact C-N 3.29Å; C275-G277 PolarHBondContact O-N 3.25Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.48Å; G277-S280 PolarHBondContact O-N 3.1Å; G277-L281 WeakPolarHBondContact O-CB 3.28Å; G277-L281 PolarHBondContact O-N 2.94Å |
| 278 | W | 94.2 | Very high | 91.2 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -44.1 | 174 | 178.5 | -98.4 | 0 | 0 | 0 | 111.7 | F229 L232 F236 V274 C275 V276 L281 E282 | F229-W278 HydrophobicContact CD2-CH2 4.08Å; F229-W278 HydrophobicContact CD2-CZ2 4.04Å; F229-W278 HydrophobicContact CE2-CH2 4.06Å; F229-W278 AromaticContact CE2-CZ2 3.9Å; F229-W278 HydrophobicContact CE2-CZ2 3.9Å; L232-W278 HydrophobicContact CB-CH2 4.22Å; L232-W278 HydrophobicContact CB-CZ2 3.8Å; L232-W278 HydrophobicContact CD1-CH2 3.92Å; L232-W278 HydrophobicContact CD1-CZ2 4.35Å; F236-W278 HydrophobicContact CB-CG 4.46Å; F236-W278 HydrophobicContact CD1-CB 4.2Å; F236-W278 HydrophobicContact CD1-CG 4.29Å; F236-W278 HydrophobicContact CD2-CB 4.27Å; F236-W278 AromaticContact CD2-CD1 3.38Å; F236-W278 AromaticContact CD2-CD2 3.72Å; F236-W278 HydrophobicContact CD2-CD2 3.72Å; F236-W278 AromaticContact CD2-CE2 3.74Å; F236-W278 AromaticContact CD2-CG 3.52Å; F236-W278 HydrophobicContact CD2-CG 3.52Å; F236-W278 AromaticContact CD2-NE1 3.54Å; F236-W278 HydrophobicContact CE1-CB 4.23Å; F236-W278 HydrophobicContact CE1-CG 4.46Å; F236-W278 HydrophobicContact CE2-CB 4.3Å; F236-W278 AromaticContact CE2-CD2 3.62Å; F236-W278 HydrophobicContact CE2-CD2 3.62Å; F236-W278 AromaticContact CE2-CE2 3.96Å; F236-W278 AromaticContact CE2-CE3 3.99Å; F236-W278 HydrophobicContact CE2-CE3 3.99Å; F236-W278 AromaticContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CE2-CG 3.73Å; F236-W278 HydrophobicContact CG-CB 4.23Å; F236-W278 AromaticContact CG-CD1 3.57Å; F236-W278 HydrophobicContact CG-CD2 4.49Å; F236-W278 AromaticContact CG-CG 3.84Å; F236-W278 HydrophobicContact CG-CG 3.84Å; F236-W278 HydrophobicContact CZ-CB 4.29Å; F236-W278 HydrophobicContact CZ-CD2 4.32Å; F236-W278 HydrophobicContact CZ-CG 4.2Å; V274-W278 PolarHBondContact O-N 2.6Å; C275-W278 WeakPolarHBondContact O-CB 3.28Å; C275-W278 PolarHBondContact O-N 2.97Å; V276-W278 PolarHBondContact O-N 3.36Å; W278-L281 HydrophobicContact CE3-CD2 4.27Å; W278-L281 HydrophobicContact CZ3-CD2 4.33Å; W278-L281 WeakPolarHBondContact O-CB 3.41Å; W278-L281 PolarHBondContact O-N 3.48Å; W278-E282 PolarHBondContact NE1-OE1 3.32Å; W278-E282 WeakPolarHBondContact O-CG 3.27Å; W278-E282 PolarHBondContact O-N 2.93Å |
| 279 | F | 92.6 | Very high | 91 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 179.2 | -68.2 | -17.2 | 0 | 0 | 0 | 113.9 | F236 V237 T240 C275 V276 G277 L281 E282 F283 I309 Y352 R355 | F236-F279 HydrophobicContact CB-CE1 3.78Å; F236-F279 HydrophobicContact CB-CZ 4.34Å; V237-F279 HydrophobicContact CG2-CE1 4.16Å; V237-F279 HydrophobicContact CG2-CZ 4.07Å; T240-F279 HydrophobicContact CG2-CE2 3.64Å; T240-F279 HydrophobicContact CG2-CZ 3.81Å; C275-F279 WeakPolarHBondContact O-CB 3.5Å; C275-F279 WeakPolarHBondContact O-CD1 3.47Å; C275-F279 WeakPolarHBondContact O-CD2 3.42Å; C275-F279 WeakPolarHBondContact O-CG 3.18Å; C275-F279 PolarHBondContact O-N 3.49Å; V276-F279 WeakPolarHBondContact O-CB 2.95Å; V276-F279 PolarHBondContact O-N 3.27Å; G277-F279 VanDerWaalsContact C-N 3.34Å; G277-F279 PolarHBondContact O-N 3.48Å; F279-L281 VanDerWaalsContact C-N 3.33Å; F279-E282 PolarHBondContact O-N 3.41Å; F279-F283 WeakPolarHBondContact O-CB 3.13Å; F279-F283 PolarHBondContact O-N 3.28Å; F279-I309 HydrophobicContact CB-CG2 3.69Å; F279-Y352 HydrophobicContact CE2-CD2 4.17Å; F279-R355 VanDerWaalsContact CD2-NH1 3.27Å |
| 280 | S | 94 | Very high | 90.7 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 15% | 0.147 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.6 | -37.6 | 173.6 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | V276 G277 F283 L284 Y313 | V276-S280 WeakPolarHBondContact O-CB 3.04Å; V276-S280 PolarHBondContact O-N 3.05Å; V276-S280 PolarHBondContact O-OG 3.11Å; V276-S280 VanDerWaalsContact O-OG 3.08Å; G277-S280 PolarHBondContact O-N 3.1Å; S280-F283 PolarHBondContact O-N 3.48Å; S280-L284 VanDerWaalsContact O-CB 3.25Å; S280-L284 WeakPolarHBondContact O-CB 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å; S280-Y313 WeakPolarHBondContact CB-OH 3.35Å; S280-Y313 VanDerWaalsContact OG-CE2 3.31Å; S280-Y313 WeakPolarHBondContact OG-CE2 3.5Å; S280-Y313 PolarHBondContact OG-OH 3.33Å |
| 281 | L | 93.3 | Very high | 90 | Very high | 81 Ų | 81 | 38.1 Ų | 38.1 | 42% | 0.424 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61 | -49.7 | 172.5 | 176.3 | 67.6 | 0 | 0 | 0 | 110.9 | G277 W278 F279 F283 L284 L285 | G277-L281 WeakPolarHBondContact O-CB 3.28Å; G277-L281 PolarHBondContact O-N 2.94Å; W278-L281 HydrophobicContact CE3-CD2 4.27Å; W278-L281 HydrophobicContact CZ3-CD2 4.33Å; W278-L281 WeakPolarHBondContact O-CB 3.41Å; W278-L281 PolarHBondContact O-N 3.48Å; F279-L281 VanDerWaalsContact C-N 3.33Å; L281-F283 VanDerWaalsContact C-N 3.33Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-L284 PolarHBondContact O-N 2.96Å; L281-L285 HydrophobicContact CD1-CD1 4.16Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.11Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.41Å |
| 282 | E | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -45 | 177 | -67.4 | -168.6 | 175.8 | 0 | 0 | 112.5 | F229 S233 W278 F279 L285 R286 R355 | F229-E282 HydrophobicContact CE2-CG 4.47Å; F229-E282 HydrophobicContact CZ-CB 4.48Å; F229-E282 HydrophobicContact CZ-CG 3.8Å; S233-E282 WeakPolarHBondContact CA-OE1 3.33Å; S233-E282 WeakPolarHBondContact CB-OE1 3.44Å; S233-E282 PolarHBondContact OG-OE1 2.92Å; W278-E282 PolarHBondContact NE1-OE1 3.32Å; W278-E282 WeakPolarHBondContact O-CG 3.27Å; W278-E282 PolarHBondContact O-N 2.93Å; F279-E282 PolarHBondContact O-N 3.41Å; E282-L285 PolarHBondContact O-N 3.31Å; E282-R286 WeakPolarHBondContact O-CG 3.22Å; E282-R286 PolarHBondContact O-N 3.04Å; E282-R286 VanDerWaalsContact O-N 3.07Å; E282-R286 IonicContact OE2-CZ 2.73Å; E282-R286 IonicContact OE2-NH1 3.3Å; E282-R286 PolarHBondContact OE2-NH1 3.49Å; E282-R286 IonicContact OE2-NH2 3.48Å; E282-R286 PolarHBondContact OE2-NH2 3.4Å; E282-R355 IonicContact OE2-NH2 2.76Å; E282-R355 PolarHBondContact OE2-NH2 3.47Å |
| 283 | F | 91.2 | Very high | 89.5 | Confident | 27 Ų | 27 | 42.3 Ų | 42.3 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177.9 | 174.9 | -96.2 | 0 | 0 | 0 | 111.3 | F279 S280 L281 R286 L287 F296 L297 T302 D305 L306 | F279-F283 WeakPolarHBondContact O-CB 3.13Å; F279-F283 PolarHBondContact O-N 3.28Å; S280-F283 PolarHBondContact O-N 3.48Å; L281-F283 VanDerWaalsContact C-N 3.33Å; L281-F283 PolarHBondContact O-N 3.49Å; F283-R286 PolarHBondContact O-N 3.29Å; F283-L287 HydrophobicContact CE1-CD2 4.16Å; F283-L287 VanDerWaalsContact O-CB 3.3Å; F283-L287 WeakPolarHBondContact O-CB 3.45Å; F283-L287 PolarHBondContact O-N 3.18Å; F283-F296 HydrophobicContact CE2-CE1 4.28Å; F283-L297 HydrophobicContact CE2-CD2 4.27Å; F283-L297 HydrophobicContact CZ-CD2 3.77Å; F283-T302 HydrophobicContact CD2-CG2 4.44Å; F283-T302 HydrophobicContact CE2-CG2 3.76Å; F283-D305 HydrophobicContact CD2-CB 4.45Å; F283-L306 HydrophobicContact CE2-CB 4.46Å; F283-L306 HydrophobicContact CZ-CD1 4.34Å |
| 284 | L | 91.4 | Very high | 89.3 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 178.7 | -176.3 | 65.6 | 0 | 0 | 0 | 111.8 | S280 L281 R286 L287 I288 | S280-L284 VanDerWaalsContact O-CB 3.25Å; S280-L284 WeakPolarHBondContact O-CB 3.46Å; S280-L284 PolarHBondContact O-N 3.2Å; L281-L284 PolarHBondContact O-N 2.96Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.43Å; L284-L287 PolarHBondContact O-N 3.04Å; L284-I288 HydrophobicContact CD1-CD1 4.15Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CD2-CD1 4.47Å; L284-I288 HydrophobicContact CG-CD1 3.85Å; L284-I288 HydrophobicContact CG-CG1 4.42Å; L284-I288 WeakPolarHBondContact O-CB 2.85Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 2.75Å |
| 285 | L | 89.4 | Confident | 88.8 | Confident | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 177 | -71.8 | 173.2 | 0 | 0 | 0 | 111.1 | L213 V217 F229 L281 E282 I288 Q289 | L213-L285 HydrophobicContact CD1-CD2 4.28Å; L213-L285 HydrophobicContact CD2-CD2 3.95Å; L213-L285 HydrophobicContact CG-CD2 4.43Å; V217-L285 HydrophobicContact CG2-CB 4.27Å; V217-L285 HydrophobicContact CG2-CD1 4.19Å; F229-L285 HydrophobicContact CE2-CD1 4.35Å; L281-L285 HydrophobicContact CD1-CD1 4.16Å; L281-L285 HydrophobicContact CD1-CG 4.16Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.38Å; L281-L285 WeakPolarHBondContact O-CB 3.11Å; L281-L285 VanDerWaalsContact O-CG 3.23Å; L281-L285 WeakPolarHBondContact O-CG 3.38Å; L281-L285 PolarHBondContact O-N 3.41Å; E282-L285 PolarHBondContact O-N 3.31Å; L285-I288 PolarHBondContact O-N 3.38Å; L285-Q289 WeakPolarHBondContact O-CG 3.31Å; L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 PolarHBondContact O-NE2 2.85Å |
| 286 | R | 87.7 | Confident | 88.5 | Confident | 15 Ų | 15 | 48.8 Ų | 48.8 | 6% | 0.057 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.9 | -68.4 | 175 | -176.9 | 123.9 | 8.2 | 112.1 | V217 E282 F283 L284 I288 Q289 A290 F296 D305 | V217-R286 HydrophobicContact CG1-CG 3.54Å; E282-R286 WeakPolarHBondContact O-CG 3.22Å; E282-R286 PolarHBondContact O-N 3.04Å; E282-R286 VanDerWaalsContact O-N 3.07Å; E282-R286 IonicContact OE2-CZ 2.73Å; E282-R286 IonicContact OE2-NH1 3.3Å; E282-R286 PolarHBondContact OE2-NH1 3.49Å; E282-R286 IonicContact OE2-NH2 3.48Å; E282-R286 PolarHBondContact OE2-NH2 3.4Å; F283-R286 PolarHBondContact O-N 3.29Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-R286 PolarHBondContact O-N 3.43Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 PolarHBondContact O-N 2.94Å; R286-Q289 PolarHBondContact O-N 3.23Å; R286-A290 PolarHBondContact O-N 3.2Å; R286-F296 HydrophobicContact CB-CE2 4.07Å; R286-F296 HydrophobicContact CB-CZ 3.61Å; R286-D305 IonicContact NH1-OD2 3.98Å |
| 287 | L | 88.7 | Confident | 88.2 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 22% | 0.215 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 177.4 | -177.5 | 66.4 | 0 | 0 | 0 | 111.3 | F283 L284 Q289 K293 F296 L297 | F283-L287 HydrophobicContact CE1-CD2 4.16Å; F283-L287 VanDerWaalsContact O-CB 3.3Å; F283-L287 WeakPolarHBondContact O-CB 3.45Å; F283-L287 PolarHBondContact O-N 3.18Å; L284-L287 PolarHBondContact O-N 3.04Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.37Å; L287-K293 HydrophobicContact CD1-CB 4.3Å; L287-K293 HydrophobicContact CD1-CD 4.05Å; L287-K293 HydrophobicContact CG-CD 4.45Å; L287-K293 WeakPolarHBondContact O-CD 3.36Å; L287-K293 WeakPolarHBondContact O-CE 3.49Å; L287-K293 PolarHBondContact O-NZ 3.3Å; L287-F296 HydrophobicContact CB-CE1 4.2Å; L287-F296 HydrophobicContact CD1-CD1 3.78Å; L287-F296 HydrophobicContact CD1-CE1 4.12Å; L287-L297 HydrophobicContact CD1-CD2 4.41Å; L287-L297 HydrophobicContact CD1-CG 4.46Å |
| 288 | I | 86.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.7 | -69.9 | 166.9 | 0 | 0 | 0 | 110.7 | M210 L284 L285 R286 K293 | M210-I288 HydrophobicContact CE-CG2 3.95Å; L284-I288 HydrophobicContact CD1-CD1 4.15Å; L284-I288 HydrophobicContact CD1-CG1 4.33Å; L284-I288 HydrophobicContact CD2-CD1 4.47Å; L284-I288 HydrophobicContact CG-CD1 3.85Å; L284-I288 HydrophobicContact CG-CG1 4.42Å; L284-I288 WeakPolarHBondContact O-CB 2.85Å; L284-I288 VanDerWaalsContact O-CG1 3.25Å; L284-I288 WeakPolarHBondContact O-CG1 3.46Å; L284-I288 PolarHBondContact O-N 2.75Å; L285-I288 PolarHBondContact O-N 3.38Å; R286-I288 VanDerWaalsContact C-N 3.34Å; R286-I288 PolarHBondContact O-N 2.94Å; I288-K293 PolarHBondContact O-NZ 3.46Å |
| 289 | Q | 83 | Confident | 87.5 | Confident | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.033 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -74.5 | -28.8 | -177.6 | -69.6 | 167.3 | 29.1 | 0 | 0 | 114.1 | L213 L285 R286 L287 | L213-Q289 PolarHBondContact O-NE2 3.33Å; L285-Q289 WeakPolarHBondContact O-CG 3.31Å; L285-Q289 PolarHBondContact O-N 2.86Å; L285-Q289 PolarHBondContact O-NE2 2.85Å; R286-Q289 PolarHBondContact O-N 3.23Å; L287-Q289 VanDerWaalsContact C-N 3.33Å; L287-Q289 PolarHBondContact O-N 3.37Å |
| 290 | A | 80.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 64.4 Ų | 64.4 | 5% | 0.05 | 34% | 0.342 | C | S | . | . | trans | -61.7 | 132.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R286 K293 F296 | R286-A290 PolarHBondContact O-N 3.2Å; A290-K293 PolarHBondContact O-NZ 3.14Å; A290-F296 HydrophobicContact CB-CB 3.71Å; A290-F296 HydrophobicContact CB-CD1 4.39Å; A290-F296 HydrophobicContact CB-CD2 3.92Å; A290-F296 HydrophobicContact CB-CG 3.75Å | ||
| 291 | P | 77.8 | Confident | 86.7 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 86% | 0.857 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -64.6 | -46.5 | 179 | 24 | -32 | 0 | 0 | 0 | 111.5 | ||
| 292 | S | 84.1 | Confident | 86.5 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | trans | -114.9 | 105.7 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 111.2 | F294 A295 F296 | S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.94Å; S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 WeakPolarHBondContact OG-CB 3.46Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 2.93Å | ||
| 293 | K | 86.6 | Confident | 86.3 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 40% | 0.4 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | -175.7 | -50.9 | -52.8 | -177.7 | -155.2 | 0 | 113 | L287 I288 A290 F296 L297 | L287-K293 HydrophobicContact CD1-CB 4.3Å; L287-K293 HydrophobicContact CD1-CD 4.05Å; L287-K293 HydrophobicContact CG-CD 4.45Å; L287-K293 WeakPolarHBondContact O-CD 3.36Å; L287-K293 WeakPolarHBondContact O-CE 3.49Å; L287-K293 PolarHBondContact O-NZ 3.3Å; I288-K293 PolarHBondContact O-NZ 3.46Å; A290-K293 PolarHBondContact O-NZ 3.14Å; K293-F296 PolarHBondContact O-N 3.24Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 3.28Å |
| 294 | F | 87 | Confident | 86.2 | Confident | 159 Ų | 159 | 67.7 Ų | 67.7 | 70% | 0.697 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -70.8 | -43.5 | -177.1 | -168.2 | -100.6 | 0 | 0 | 0 | 112.6 | S292 F296 L297 R298 | S292-F294 VanDerWaalsContact C-N 3.32Å; S292-F294 PolarHBondContact O-N 2.94Å; F294-F296 VanDerWaalsContact C-N 3.32Å; F294-F296 PolarHBondContact O-N 3.03Å; F294-L297 PolarHBondContact O-N 3.2Å; F294-R298 PolarHBondContact O-N 3.36Å; F294-R298 VanDerWaalsContact O-N 3.1Å |
| 295 | A | 85 | Confident | 86.1 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.1 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | S292 L297 R298 S299 | S292-A295 PolarHBondContact O-N 3.35Å; S292-A295 WeakPolarHBondContact OG-CB 3.46Å; A295-L297 PolarHBondContact O-N 2.85Å; A295-R298 PolarHBondContact O-N 2.94Å; A295-S299 PolarHBondContact O-N 3.15Å |
| 296 | F | 85.8 | Confident | 86.1 | Confident | 36 Ų | 36 | 65.3 Ų | 65.3 | 16% | 0.158 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 173.3 | 175.4 | -100.5 | 0 | 0 | 0 | 112.4 | F283 R286 L287 A290 S292 K293 F294 R298 S299 T302 | F283-F296 HydrophobicContact CE2-CE1 4.28Å; R286-F296 HydrophobicContact CB-CE2 4.07Å; R286-F296 HydrophobicContact CB-CZ 3.61Å; L287-F296 HydrophobicContact CB-CE1 4.2Å; L287-F296 HydrophobicContact CD1-CD1 3.78Å; L287-F296 HydrophobicContact CD1-CE1 4.12Å; A290-F296 HydrophobicContact CB-CB 3.71Å; A290-F296 HydrophobicContact CB-CD1 4.39Å; A290-F296 HydrophobicContact CB-CD2 3.92Å; A290-F296 HydrophobicContact CB-CG 3.75Å; S292-F296 WeakPolarHBondContact O-CB 3.41Å; S292-F296 PolarHBondContact O-N 2.93Å; K293-F296 PolarHBondContact O-N 3.24Å; F294-F296 VanDerWaalsContact C-N 3.32Å; F294-F296 PolarHBondContact O-N 3.03Å; F296-R298 VanDerWaalsContact C-N 3.28Å; F296-R298 PolarHBondContact O-N 3.48Å; F296-S299 WeakPolarHBondContact O-CB 3.22Å; F296-S299 PolarHBondContact O-N 2.92Å; F296-T302 HydrophobicContact CD1-CG2 3.85Å; F296-T302 HydrophobicContact CE1-CG2 3.43Å; F296-T302 VanDerWaalsContact CE1-CG2 3.43Å; F296-T302 HydrophobicContact CE2-CG2 4.39Å; F296-T302 HydrophobicContact CG-CG2 4.49Å; F296-T302 HydrophobicContact CZ-CG2 3.73Å; F296-T302 WeakPolarHBondContact O-CB 3.41Å; F296-T302 WeakPolarHBondContact O-CG2 2.65Å; F296-T302 PolarHBondContact O-OG1 2.06Å |
| 297 | L | 87.3 | Confident | 86.1 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 38% | 0.382 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -27 | 178.1 | -71.7 | 173 | 0 | 0 | 0 | 113.3 | F283 L287 K293 F294 A295 S299 T302 | F283-L297 HydrophobicContact CE2-CD2 4.27Å; F283-L297 HydrophobicContact CZ-CD2 3.77Å; L287-L297 HydrophobicContact CD1-CD2 4.41Å; L287-L297 HydrophobicContact CD1-CG 4.46Å; K293-L297 VanDerWaalsContact O-CG 3.3Å; K293-L297 WeakPolarHBondContact O-CG 3.34Å; K293-L297 PolarHBondContact O-N 3.28Å; F294-L297 PolarHBondContact O-N 3.2Å; A295-L297 PolarHBondContact O-N 2.85Å; L297-S299 VanDerWaalsContact C-N 3.31Å; L297-T302 HydrophobicContact CD2-CG2 4.42Å |
| 298 | R | 87.1 | Confident | 86 | Confident | 203 Ų | 203 | 64.8 Ų | 64.8 | 77% | 0.766 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -81 | -9.2 | 177.6 | -162 | 174.1 | 176.6 | 121.5 | -2 | 113.3 | F294 A295 F296 | F294-R298 PolarHBondContact O-N 3.36Å; F294-R298 VanDerWaalsContact O-N 3.1Å; A295-R298 PolarHBondContact O-N 2.94Å; F296-R298 VanDerWaalsContact C-N 3.28Å; F296-R298 PolarHBondContact O-N 3.48Å |
| 299 | S | 85.8 | Confident | 86.2 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 30% | 0.301 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -67.2 | 134.3 | 176.9 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | A295 F296 L297 L301 T302 L303 | A295-S299 PolarHBondContact O-N 3.15Å; F296-S299 WeakPolarHBondContact O-CB 3.22Å; F296-S299 PolarHBondContact O-N 2.92Å; L297-S299 VanDerWaalsContact C-N 3.31Å; S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.9Å; S299-T302 WeakPolarHBondContact O-CB 2.77Å; S299-T302 PolarHBondContact O-N 3.28Å; S299-L303 PolarHBondContact O-N 2.93Å |
| 300 | P | 85.3 | Confident | 86.5 | Confident | 93 Ų | 93 | 64.8 Ų | 64.8 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.5 | -35.2 | -175.2 | 24.1 | -34.3 | 0 | 0 | 0 | 113.2 | L303 I304 | P300-L303 PolarHBondContact O-N 3.38Å; P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.76Å; P300-I304 VanDerWaalsContact O-N 3.15Å |
| 301 | L | 85.3 | Confident | 86.9 | Confident | 52 Ų | 52 | 64.5 Ų | 64.5 | 27% | 0.272 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.3 | -35 | 176.8 | -65.5 | 175 | 0 | 0 | 0 | 111.9 | S299 I304 D305 A357 | S299-L301 VanDerWaalsContact C-N 3.3Å; S299-L301 PolarHBondContact O-N 2.9Å; L301-I304 PolarHBondContact O-N 3.42Å; L301-D305 PolarHBondContact O-N 3.26Å; L301-D305 VanDerWaalsContact O-N 3.16Å; L301-A357 HydrophobicContact CD2-CB 4.31Å |
| 302 | T | 88.7 | Confident | 87.4 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.5 | -36.3 | 175.7 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | F283 F296 L297 S299 I304 D305 L306 | F283-T302 HydrophobicContact CD2-CG2 4.44Å; F283-T302 HydrophobicContact CE2-CG2 3.76Å; F296-T302 HydrophobicContact CD1-CG2 3.85Å; F296-T302 HydrophobicContact CE1-CG2 3.43Å; F296-T302 VanDerWaalsContact CE1-CG2 3.43Å; F296-T302 HydrophobicContact CE2-CG2 4.39Å; F296-T302 HydrophobicContact CG-CG2 4.49Å; F296-T302 HydrophobicContact CZ-CG2 3.73Å; F296-T302 WeakPolarHBondContact O-CB 3.41Å; F296-T302 WeakPolarHBondContact O-CG2 2.65Å; F296-T302 PolarHBondContact O-OG1 2.06Å; L297-T302 HydrophobicContact CD2-CG2 4.42Å; S299-T302 WeakPolarHBondContact O-CB 2.77Å; S299-T302 PolarHBondContact O-N 3.28Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 3.03Å; T302-D305 PolarHBondContact O-N 3.12Å; T302-L306 PolarHBondContact O-N 3.04Å |
| 303 | L | 88.4 | Confident | 87.7 | Confident | 96 Ų | 96 | 61.2 Ų | 61.2 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 173.8 | -174.8 | 67 | 0 | 0 | 0 | 111.4 | S299 P300 L306 V307 | S299-L303 PolarHBondContact O-N 2.93Å; P300-L303 PolarHBondContact O-N 3.38Å; L303-L306 PolarHBondContact O-N 3.06Å; L303-V307 HydrophobicContact CD1-CG2 4.24Å; L303-V307 HydrophobicContact CG-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CB 3.34Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.14Å |
| 304 | I | 88.6 | Confident | 87.8 | Confident | 47 Ų | 47 | 59.4 Ų | 59.4 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.3 | -67.4 | 166.5 | 0 | 0 | 0 | 110.7 | P300 L301 T302 L306 V307 A308 M354 R355 | P300-I304 WeakPolarHBondContact O-CG1 3.34Å; P300-I304 PolarHBondContact O-N 2.76Å; P300-I304 VanDerWaalsContact O-N 3.15Å; L301-I304 PolarHBondContact O-N 3.42Å; T302-I304 VanDerWaalsContact C-N 3.33Å; T302-I304 PolarHBondContact O-N 3.03Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.32Å; I304-V307 PolarHBondContact O-N 3.12Å; I304-A308 WeakPolarHBondContact O-CB 3.21Å; I304-A308 PolarHBondContact O-N 3.14Å; I304-M354 HydrophobicContact CG2-CB 3.81Å; I304-R355 HydrophobicContact CG2-CG 4.15Å |
| 305 | D | 89.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 177.7 | -70.4 | -23.3 | 0 | 0 | 0 | 111.9 | F283 R286 L301 T302 I309 R355 R358 | F283-D305 HydrophobicContact CD2-CB 4.45Å; R286-D305 IonicContact NH1-OD2 3.98Å; L301-D305 PolarHBondContact O-N 3.26Å; L301-D305 VanDerWaalsContact O-N 3.16Å; T302-D305 PolarHBondContact O-N 3.12Å; D305-I309 PolarHBondContact O-N 2.99Å; D305-R355 WeakPolarHBondContact OD1-CG 3.37Å; D305-R355 IonicContact OD1-CZ 3.88Å; D305-R355 IonicContact OD1-NE 2.87Å; D305-R355 PolarHBondContact OD1-NE 2.89Å; D305-R355 IonicContact OD1-NH2 2.95Å; D305-R358 IonicContact OD2-CZ 2.8Å; D305-R358 VanDerWaalsContact OD2-CZ 3.27Å; D305-R358 IonicContact OD2-NE 3.43Å; D305-R358 PolarHBondContact OD2-NE 3.01Å; D305-R358 IonicContact OD2-NH2 2.72Å; D305-R358 PolarHBondContact OD2-NH2 3.21Å |
| 306 | L | 89.5 | Confident | 87.6 | Confident | 65 Ų | 65 | 54.7 Ų | 54.7 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 178.3 | 179.6 | 63.9 | 0 | 0 | 0 | 112.3 | F283 T302 L303 I304 A308 I309 L310 | F283-L306 HydrophobicContact CE2-CB 4.46Å; F283-L306 HydrophobicContact CZ-CD1 4.34Å; T302-L306 PolarHBondContact O-N 3.04Å; L303-L306 PolarHBondContact O-N 3.06Å; I304-L306 VanDerWaalsContact C-N 3.33Å; I304-L306 PolarHBondContact O-N 3.32Å; L306-A308 PolarHBondContact O-N 2.73Å; L306-I309 WeakPolarHBondContact O-CG1 3.34Å; L306-I309 PolarHBondContact O-N 2.8Å; L306-L310 WeakPolarHBondContact O-CB 3.16Å; L306-L310 PolarHBondContact O-N 2.72Å; L306-L310 VanDerWaalsContact O-N 3.09Å |
| 307 | V | 88.1 | Confident | 87.6 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 27% | 0.273 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.7 | -29.4 | 179.6 | 172.1 | 0 | 0 | 0 | 0 | 111 | L303 I304 P311 L351 | L303-V307 HydrophobicContact CD1-CG2 4.24Å; L303-V307 HydrophobicContact CG-CG2 4.33Å; L303-V307 WeakPolarHBondContact O-CB 3.34Å; L303-V307 VanDerWaalsContact O-CG2 3.28Å; L303-V307 WeakPolarHBondContact O-CG2 3.4Å; L303-V307 PolarHBondContact O-N 3.14Å; I304-V307 PolarHBondContact O-N 3.12Å; V307-P311 WeakPolarHBondContact O-CD 3.22Å; V307-L351 HydrophobicContact CG1-CD1 3.48Å; V307-L351 VanDerWaalsContact CG1-CD1 3.48Å |
| 308 | A | 86.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I304 L306 L310 P311 Y352 R355 | I304-A308 WeakPolarHBondContact O-CB 3.21Å; I304-A308 PolarHBondContact O-N 3.14Å; L306-A308 PolarHBondContact O-N 2.73Å; A308-L310 VanDerWaalsContact C-N 3.3Å; A308-L310 PolarHBondContact O-N 3.3Å; A308-P311 WeakPolarHBondContact O-CD 3.31Å; A308-Y352 VanDerWaalsContact C-CE1 3.46Å; A308-Y352 HydrophobicContact CB-CD1 3.71Å; A308-Y352 HydrophobicContact CB-CE1 4.12Å; A308-Y352 HydrophobicContact CB-CG 4.33Å; A308-Y352 WeakPolarHBondContact O-CE1 3.47Å; A308-Y352 PolarHBondContact O-OH 3.06Å; A308-R355 HydrophobicContact CB-CG 4.17Å |
| 309 | I | 89.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 52 Ų | 52 | 7% | 0.067 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -74.4 | -22.2 | -177.7 | 62.1 | 174.7 | 0 | 0 | 0 | 113.7 | V276 F279 D305 L306 Y312 Y313 | V276-I309 HydrophobicContact CG1-CB 4.4Å; V276-I309 HydrophobicContact CG1-CG2 4.42Å; F279-I309 HydrophobicContact CB-CG2 3.69Å; D305-I309 PolarHBondContact O-N 2.99Å; L306-I309 WeakPolarHBondContact O-CG1 3.34Å; L306-I309 PolarHBondContact O-N 2.8Å; I309-Y312 PolarHBondContact O-N 2.93Å; I309-Y313 HydrophobicContact CB-CD2 4.39Å; I309-Y313 HydrophobicContact CB-CE2 4.13Å; I309-Y313 HydrophobicContact CD1-CE2 4.37Å; I309-Y313 VanDerWaalsContact O-CD2 3.3Å; I309-Y313 WeakPolarHBondContact O-CD2 3.48Å |
| 310 | L | 89.4 | Confident | 86.6 | Confident | 77 Ų | 77 | 52.2 Ų | 52.2 | 40% | 0.403 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | -170.8 | -174.5 | 74.7 | 0 | 0 | 0 | 114.9 | L306 A308 Y312 Y313 I314 | L306-L310 WeakPolarHBondContact O-CB 3.16Å; L306-L310 PolarHBondContact O-N 2.72Å; L306-L310 VanDerWaalsContact O-N 3.09Å; A308-L310 VanDerWaalsContact C-N 3.3Å; A308-L310 PolarHBondContact O-N 3.3Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.39Å; L310-Y313 PolarHBondContact O-N 3.05Å; L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.15Å; L310-I314 HydrophobicContact CD2-CD1 3.91Å; L310-I314 HydrophobicContact CG-CD1 3.55Å; L310-I314 HydrophobicContact CG-CG1 4.1Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.41Å |
| 311 | P | 88.5 | Confident | 86.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.8 | -42.8 | 180 | -30.5 | 36.5 | 0 | 0 | 0 | 114.3 | V307 A308 I314 T315 L345 L348 R349 | V307-P311 WeakPolarHBondContact O-CD 3.22Å; A308-P311 WeakPolarHBondContact O-CD 3.31Å; P311-I314 PolarHBondContact O-N 2.87Å; P311-T315 PolarHBondContact O-N 3.45Å; P311-T315 PolarHBondContact O-OG1 3.09Å; P311-T315 VanDerWaalsContact O-OG1 3.05Å; P311-L345 HydrophobicContact CB-CB 4.32Å; P311-L345 WeakPolarHBondContact CB-O 3.29Å; P311-L348 HydrophobicContact CG-CB 3.77Å; P311-L348 HydrophobicContact CG-CD1 4.46Å; P311-R349 HydrophobicContact CB-CG 4.37Å |
| 312 | Y | 88.8 | Confident | 85.4 | Confident | 28 Ų | 28 | 50.6 Ų | 50.6 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.7 | -48.2 | -178.6 | 177.5 | -89.3 | 0 | 0 | 0 | 111.5 | F269 E272 S273 V276 I309 L310 I314 T315 L316 | F269-Y312 HydrophobicContact CE2-CE2 4.22Å; E272-Y312 HydrophobicContact CG-CD2 4.07Å; E272-Y312 HydrophobicContact CG-CE2 4.38Å; S273-Y312 VanDerWaalsContact CB-OH 3.26Å; S273-Y312 WeakPolarHBondContact CB-OH 3.49Å; S273-Y312 PolarHBondContact OG-OH 3.42Å; V276-Y312 HydrophobicContact CB-CD1 4.28Å; V276-Y312 HydrophobicContact CB-CG 4.21Å; V276-Y312 HydrophobicContact CG1-CD1 3.73Å; V276-Y312 HydrophobicContact CG1-CE1 4.41Å; V276-Y312 HydrophobicContact CG1-CG 3.94Å; V276-Y312 HydrophobicContact CG2-CD2 4.19Å; V276-Y312 HydrophobicContact CG2-CG 4Å; I309-Y312 PolarHBondContact O-N 2.93Å; L310-Y312 VanDerWaalsContact C-N 3.31Å; L310-Y312 PolarHBondContact O-N 3.39Å; Y312-I314 PolarHBondContact O-N 2.94Å; Y312-T315 PolarHBondContact O-N 3.12Å; Y312-L316 PolarHBondContact O-N 3.22Å |
| 313 | Y | 90.4 | Very high | 84.2 | Confident | 98 Ų | 98 | 54 Ų | 54 | 38% | 0.384 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.3 | -36.2 | 179.3 | -70.2 | -69.1 | 0 | 0 | 0 | 112.7 | V276 S280 I309 L310 L317 | V276-Y313 HydrophobicContact CG1-CE2 3.9Å; S280-Y313 WeakPolarHBondContact CB-OH 3.35Å; S280-Y313 VanDerWaalsContact OG-CE2 3.31Å; S280-Y313 WeakPolarHBondContact OG-CE2 3.5Å; S280-Y313 PolarHBondContact OG-OH 3.33Å; I309-Y313 HydrophobicContact CB-CD2 4.39Å; I309-Y313 HydrophobicContact CB-CE2 4.13Å; I309-Y313 HydrophobicContact CD1-CE2 4.37Å; I309-Y313 VanDerWaalsContact O-CD2 3.3Å; I309-Y313 WeakPolarHBondContact O-CD2 3.48Å; L310-Y313 PolarHBondContact O-N 3.05Å; Y313-L317 VanDerWaalsContact O-CB 3.3Å; Y313-L317 WeakPolarHBondContact O-CB 3.42Å; Y313-L317 PolarHBondContact O-N 3.31Å |
| 314 | I | 88.4 | Confident | 82.7 | Confident | 55 Ų | 55 | 52.7 Ų | 52.7 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 174.8 | -65.5 | 175.3 | 0 | 0 | 0 | 110.4 | L310 P311 Y312 L316 L317 V318 L345 | L310-I314 HydrophobicContact CD1-CD1 3.96Å; L310-I314 HydrophobicContact CD1-CG1 4.15Å; L310-I314 HydrophobicContact CD2-CD1 3.91Å; L310-I314 HydrophobicContact CG-CD1 3.55Å; L310-I314 HydrophobicContact CG-CG1 4.1Å; L310-I314 WeakPolarHBondContact O-CG1 3.4Å; L310-I314 PolarHBondContact O-N 3.41Å; P311-I314 PolarHBondContact O-N 2.87Å; Y312-I314 PolarHBondContact O-N 2.94Å; I314-L316 PolarHBondContact O-N 3.34Å; I314-L317 PolarHBondContact O-N 3.49Å; I314-V318 HydrophobicContact CG2-CG2 4.17Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.43Å; I314-L345 HydrophobicContact CB-CD1 4.04Å; I314-L345 HydrophobicContact CD1-CD1 4.49Å; I314-L345 HydrophobicContact CD1-CD2 4.12Å; I314-L345 HydrophobicContact CG2-CD1 3.42Å; I314-L345 VanDerWaalsContact CG2-CD1 3.42Å |
| 315 | T | 84 | Confident | 81.1 | Confident | 27 Ų | 27 | 59.9 Ų | 59.9 | 17% | 0.166 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 176.9 | -61.9 | 0 | 0 | 0 | 0 | 111 | P311 Y312 L317 V318 D319 L342 | P311-T315 PolarHBondContact O-N 3.45Å; P311-T315 PolarHBondContact O-OG1 3.09Å; P311-T315 VanDerWaalsContact O-OG1 3.05Å; Y312-T315 PolarHBondContact O-N 3.12Å; T315-L317 VanDerWaalsContact C-N 3.3Å; T315-L317 PolarHBondContact O-N 2.93Å; T315-V318 PolarHBondContact O-N 3.19Å; T315-D319 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D319 WeakPolarHBondContact O-CB 3.49Å; T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 2.84Å; T315-L342 HydrophobicContact CG2-CD2 4.32Å |
| 316 | L | 85.1 | Confident | 79.1 | Confident | 91 Ų | 91 | 71 Ų | 71 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 178.1 | -169.7 | 72.1 | 0 | 0 | 0 | 112.6 | Y312 I314 G320 | Y312-L316 PolarHBondContact O-N 3.22Å; I314-L316 PolarHBondContact O-N 3.34Å; L316-G320 PolarHBondContact O-N 2.98Å |
| 317 | L | 85.8 | Confident | 76.8 | Confident | 128 Ų | 128 | 76.7 Ų | 76.7 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -68.9 | -39.6 | 178.9 | -174.9 | 141.6 | 0 | 0 | 0 | 112.1 | Y313 I314 T315 A321 | Y313-L317 VanDerWaalsContact O-CB 3.3Å; Y313-L317 WeakPolarHBondContact O-CB 3.42Å; Y313-L317 PolarHBondContact O-N 3.31Å; I314-L317 PolarHBondContact O-N 3.49Å; T315-L317 VanDerWaalsContact C-N 3.3Å; T315-L317 PolarHBondContact O-N 2.93Å; L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.26Å |
| 318 | V | 82 | Confident | 74.8 | Confident | 37 Ų | 37 | 81 Ų | 81 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 176.7 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | I314 T315 G320 A321 A322 V338 L342 | I314-V318 HydrophobicContact CG2-CG2 4.17Å; I314-V318 VanDerWaalsContact O-CG2 3.29Å; I314-V318 WeakPolarHBondContact O-CG2 3.5Å; I314-V318 PolarHBondContact O-N 3.43Å; T315-V318 PolarHBondContact O-N 3.19Å; V318-G320 PolarHBondContact O-N 3.18Å; V318-A321 PolarHBondContact O-N 3.04Å; V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 3.26Å; V318-V338 HydrophobicContact CG1-CG1 3.55Å; V318-L342 HydrophobicContact CB-CD2 4.33Å; V318-L342 HydrophobicContact CG1-CD1 4.11Å; V318-L342 HydrophobicContact CG1-CD2 4.29Å |
| 319 | D | 77.2 | Confident | 73 | Confident | 90 Ų | 90 | 85 Ų | 85 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 178.5 | -67.7 | -21.6 | 0 | 0 | 0 | 111.4 | T315 A322 A323 | T315-D319 WeakPolarHBondContact CG2-OD2 3.11Å; T315-D319 WeakPolarHBondContact O-CB 3.49Å; T315-D319 VanDerWaalsContact O-CG 3.3Å; T315-D319 PolarHBondContact O-N 2.84Å; D319-A322 PolarHBondContact O-N 3.28Å; D319-A323 PolarHBondContact O-N 3.39Å |
| 320 | G | 78.9 | Confident | 70.8 | Confident | 48 Ų | 48 | 89 Ų | 89 | 50% | 0.495 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L316 V318 A323 G324 | L316-G320 PolarHBondContact O-N 2.98Å; V318-G320 PolarHBondContact O-N 3.18Å; G320-A323 PolarHBondContact O-N 2.9Å; G320-G324 PolarHBondContact O-N 3.23Å |
| 321 | A | 77.3 | Confident | 68.8 | Low | 55 Ų | 55 | 87.5 Ų | 87.5 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -33.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L317 V318 G324 R325 | L317-A321 VanDerWaalsContact O-CB 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.48Å; L317-A321 PolarHBondContact O-N 3.26Å; V318-A321 PolarHBondContact O-N 3.04Å; A321-G324 PolarHBondContact O-N 2.84Å; A321-R325 PolarHBondContact O-N 2.76Å |
| 322 | A | 68.3 | Low | 67.3 | Low | 55 Ų | 55 | 93.6 Ų | 93.6 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.5 | -39 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V318 D319 G324 R325 | V318-A322 WeakPolarHBondContact O-CB 3.38Å; V318-A322 PolarHBondContact O-N 3.26Å; D319-A322 PolarHBondContact O-N 3.28Å; A322-G324 VanDerWaalsContact C-N 3.29Å; A322-G324 PolarHBondContact O-N 3.32Å; A322-R325 PolarHBondContact O-N 3.33Å |
| 323 | A | 63 | Low | 65.9 | Low | 75 Ų | 75 | 96.2 Ų | 96.2 | 62% | 0.62 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.2 | -33.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | D319 G320 | D319-A323 PolarHBondContact O-N 3.39Å; G320-A323 PolarHBondContact O-N 2.9Å |
| 324 | G | 58.7 | Low | 64.7 | Low | 68 Ų | 68 | 99.1 Ų | 99.1 | 70% | 0.701 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -79.5 | -14.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | G320 A321 A322 | G320-G324 PolarHBondContact O-N 3.23Å; A321-G324 PolarHBondContact O-N 2.84Å; A322-G324 VanDerWaalsContact C-N 3.29Å; A322-G324 PolarHBondContact O-N 3.32Å |
| 325 | R | 54.9 | Low | 63.5 | Low | 198 Ų | 198 | 102 Ų | 102 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.9 | 45.7 | -177.5 | -76.4 | -170.8 | -177 | 159.7 | 2.6 | 113.4 | A321 A322 K327 | A321-R325 PolarHBondContact O-N 2.76Å; A322-R325 PolarHBondContact O-N 3.33Å; R325-K327 PolarHBondContact O-N 3.21Å |
| 326 | R | 46.2 | Very low | 62.6 | Low | 237 Ų | 237 | 105.8 Ų | 105.8 | 89% | 0.894 | 62% | 0.624 | S | S | * | * | trans | -68.4 | 73.7 | 161.1 | -78.6 | -175.6 | 175.3 | 164.6 | -0.6 | 110.6 | ||||
| 327 | K | 42.3 | Very low | 61.7 | Low | 186 Ų | 186 | 108.7 Ų | 108.7 | 81% | 0.809 | 63% | 0.633 | S | S | * | * | trans | -106.3 | 116.2 | 154.8 | -94.8 | -173.6 | 177.3 | 179.8 | 0 | 107.9 | R325 G329 | R325-K327 PolarHBondContact O-N 3.21Å; K327-G329 PolarHBondContact O-N 3.47Å | ||
| 328 | P | 45.6 | Very low | 61.1 | Low | 136 Ų | 136 | 104 Ų | 104 | 88% | 0.883 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 117.3 | 178.8 | 30.2 | -29.5 | 0 | 0 | 0 | 108.1 | ||
| 329 | G | 47.5 | Very low | 60.6 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 85% | 0.845 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.9 | -0.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | K327 | K327-G329 PolarHBondContact O-N 3.47Š|
| 330 | A | 43.9 | Very low | 60.4 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 81% | 0.81 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -110.8 | 89.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 331 | G | 47.6 | Very low | 60.4 | Low | 45 Ų | 45 | 106.7 Ų | 106.7 | 46% | 0.464 | 62% | 0.621 | S | S | . | * | trans | 79 | 90.2 | 147 | 0 | 0 | 0 | 0 | 0 | 118.2 | S333 Y334 | G331-S333 PolarHBondContact O-N 3Å; G331-Y334 PolarHBondContact O-N 2.92Å | ||
| 332 | N | 57.7 | Low | 60.2 | Low | 128 Ų | 128 | 105.7 Ų | 105.7 | 68% | 0.684 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -47.8 | -30.5 | 167.7 | -134.8 | 57.8 | 0 | 0 | 0 | 113.3 | Y334 L335 D336 | N332-Y334 PolarHBondContact O-N 3.21Å; N332-L335 PolarHBondContact O-N 3.35Å; N332-D336 PolarHBondContact O-N 3Å |
| 333 | S | 60.3 | Low | 60.6 | Low | 84 Ų | 84 | 111.4 Ų | 111.4 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.1 | -20.9 | -176.4 | -41.8 | 0 | 0 | 0 | 0 | 115.7 | G331 K337 | G331-S333 PolarHBondContact O-N 3Å; S333-K337 VanDerWaalsContact O-CG 3.29Å; S333-K337 WeakPolarHBondContact O-CG 3.28Å; S333-K337 PolarHBondContact O-N 3.28Å |
| 334 | Y | 64.4 | Low | 61.4 | Low | 158 Ų | 158 | 111.8 Ų | 111.8 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -81.5 | -40.4 | 175.9 | -175.3 | -101.2 | 0 | 0 | 0 | 110.8 | G331 N332 K337 V338 | G331-Y334 PolarHBondContact O-N 2.92Å; N332-Y334 PolarHBondContact O-N 3.21Å; Y334-K337 PolarHBondContact O-N 3.32Å; Y334-V338 HydrophobicContact CD1-CG2 3.99Å; Y334-V338 HydrophobicContact CE1-CG2 3.7Å; Y334-V338 HydrophobicContact CE2-CG2 4.43Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; Y334-V338 WeakPolarHBondContact O-CB 3.4Å; Y334-V338 VanDerWaalsContact O-CG2 3.22Å; Y334-V338 WeakPolarHBondContact O-CG2 3.41Å; Y334-V338 PolarHBondContact O-N 3.42Å |
| 335 | L | 62.4 | Low | 62.4 | Low | 116 Ų | 116 | 109.4 Ų | 109.4 | 61% | 0.607 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.8 | -38.7 | 176.6 | -67.7 | 174.3 | 0 | 0 | 0 | 111.9 | N332 K337 V338 G339 | N332-L335 PolarHBondContact O-N 3.35Å; L335-K337 PolarHBondContact O-N 2.95Å; L335-V338 PolarHBondContact O-N 3.49Å; L335-G339 PolarHBondContact O-N 3.41Å |
| 336 | D | 65.3 | Low | 63.4 | Low | 107 Ų | 107 | 104 Ų | 104 | 57% | 0.572 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.8 | -40.2 | 174.3 | -73.7 | -22.8 | 0 | 0 | 0 | 112.5 | N332 G339 L340 | N332-D336 PolarHBondContact O-N 3Å; D336-G339 PolarHBondContact O-N 2.88Å; D336-L340 PolarHBondContact O-N 2.88Å; D336-L340 VanDerWaalsContact O-N 3.07Å |
| 337 | K | 67.5 | Low | 64.9 | Low | 152 Ų | 152 | 95.9 Ų | 95.9 | 66% | 0.661 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -68.1 | -39.5 | 175.8 | -73.9 | 179.9 | -177.3 | -176.5 | 0 | 112 | S333 Y334 L335 L340 V341 | S333-K337 VanDerWaalsContact O-CG 3.29Å; S333-K337 WeakPolarHBondContact O-CG 3.28Å; S333-K337 PolarHBondContact O-N 3.28Å; Y334-K337 PolarHBondContact O-N 3.32Å; L335-K337 PolarHBondContact O-N 2.95Å; K337-L340 PolarHBondContact O-N 3.13Å; K337-V341 WeakPolarHBondContact O-CG2 3.37Å; K337-V341 PolarHBondContact O-N 3.27Å; K337-V341 VanDerWaalsContact O-N 3.16Å |
| 338 | V | 73.2 | Confident | 66.8 | Low | 30 Ų | 30 | 89.9 Ų | 89.9 | 18% | 0.182 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -67.2 | -38 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | V318 Y334 L335 L340 V341 L342 | V318-V338 HydrophobicContact CG1-CG1 3.55Å; Y334-V338 HydrophobicContact CD1-CG2 3.99Å; Y334-V338 HydrophobicContact CE1-CG2 3.7Å; Y334-V338 HydrophobicContact CE2-CG2 4.43Å; Y334-V338 HydrophobicContact CG-CG2 4.49Å; Y334-V338 WeakPolarHBondContact O-CB 3.4Å; Y334-V338 VanDerWaalsContact O-CG2 3.22Å; Y334-V338 WeakPolarHBondContact O-CG2 3.41Å; Y334-V338 PolarHBondContact O-N 3.42Å; L335-V338 PolarHBondContact O-N 3.49Å; V338-L340 PolarHBondContact O-N 3.08Å; V338-V341 PolarHBondContact O-N 3.05Å; V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.37Å; V338-L342 PolarHBondContact O-N 3.09Å |
| 339 | G | 71.6 | Confident | 68.6 | Low | 34 Ų | 34 | 84.9 Ų | 84.9 | 35% | 0.351 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L335 D336 L342 R343 | L335-G339 PolarHBondContact O-N 3.41Å; D336-G339 PolarHBondContact O-N 2.88Å; G339-L342 PolarHBondContact O-N 3.15Å; G339-R343 WeakPolarHBondContact O-CB 3.47Å; G339-R343 PolarHBondContact O-N 3.01Å |
| 340 | L | 72.4 | Confident | 70.3 | Confident | 111 Ų | 111 | 86.3 Ų | 86.3 | 58% | 0.581 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63 | -43.6 | 173 | -173.7 | 70.3 | 0 | 0 | 0 | 111.6 | D336 K337 V338 R343 V344 | D336-L340 PolarHBondContact O-N 2.88Å; D336-L340 VanDerWaalsContact O-N 3.07Å; K337-L340 PolarHBondContact O-N 3.13Å; V338-L340 PolarHBondContact O-N 3.08Å; L340-R343 WeakPolarHBondContact O-CB 3.45Å; L340-R343 PolarHBondContact O-N 3.12Å; L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.21Å |
| 341 | V | 77.7 | Confident | 72.2 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 52% | 0.515 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | K337 V338 R343 V344 L345 | K337-V341 WeakPolarHBondContact O-CG2 3.37Å; K337-V341 PolarHBondContact O-N 3.27Å; K337-V341 VanDerWaalsContact O-N 3.16Å; V338-V341 PolarHBondContact O-N 3.05Å; V341-R343 VanDerWaalsContact C-N 3.3Å; V341-R343 PolarHBondContact O-N 2.88Å; V341-V344 PolarHBondContact O-N 3.04Å; V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.24Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.25Å; V341-L345 PolarHBondContact O-N 3.32Å |
| 342 | L | 74.1 | Confident | 73.9 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 18% | 0.183 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 176 | -70.3 | 172.2 | 0 | 0 | 0 | 112.1 | T315 V318 V338 G339 L345 R346 | T315-L342 HydrophobicContact CG2-CD2 4.32Å; V318-L342 HydrophobicContact CB-CD2 4.33Å; V318-L342 HydrophobicContact CG1-CD1 4.11Å; V318-L342 HydrophobicContact CG1-CD2 4.29Å; V338-L342 HydrophobicContact CG1-CD1 4.02Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 VanDerWaalsContact O-CG 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.37Å; V338-L342 PolarHBondContact O-N 3.09Å; G339-L342 PolarHBondContact O-N 3.15Å; L342-L345 HydrophobicContact CD2-CD1 4.34Å; L342-L345 PolarHBondContact O-N 2.94Å; L342-R346 WeakPolarHBondContact O-CB 3.02Å; L342-R346 PolarHBondContact O-N 3.5Å |
| 343 | R | 75.4 | Confident | 75.1 | Confident | 174 Ų | 174 | 79.8 Ų | 79.8 | 66% | 0.657 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -64.2 | -41.7 | 174.5 | -169.9 | -179.9 | -68.7 | 175.6 | -3.6 | 112.1 | G339 L340 V341 R346 A347 | G339-R343 WeakPolarHBondContact O-CB 3.47Å; G339-R343 PolarHBondContact O-N 3.01Å; L340-R343 WeakPolarHBondContact O-CB 3.45Å; L340-R343 PolarHBondContact O-N 3.12Å; V341-R343 VanDerWaalsContact C-N 3.3Å; V341-R343 PolarHBondContact O-N 2.88Å; R343-R346 PolarHBondContact O-N 3.43Å; R343-A347 PolarHBondContact O-N 3.24Å |
| 344 | V | 80.1 | Confident | 76.2 | Confident | 84 Ų | 84 | 80.1 Ų | 80.1 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 111.1 | L340 V341 R346 A347 L348 | L340-V344 WeakPolarHBondContact O-CG2 3.34Å; L340-V344 PolarHBondContact O-N 3.21Å; V341-V344 PolarHBondContact O-N 3.04Å; V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 PolarHBondContact O-N 2.9Å; V344-A347 WeakPolarHBondContact O-CA 3.47Å; V344-A347 WeakPolarHBondContact O-CB 3.27Å; V344-A347 PolarHBondContact O-N 3.44Å; V344-L348 PolarHBondContact O-N 2.98Å |
| 345 | L | 79.7 | Confident | 77.1 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 9% | 0.089 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 175.9 | -70.1 | 172.7 | 0 | 0 | 0 | 111.7 | P311 I314 V341 L342 A347 L348 | P311-L345 HydrophobicContact CB-CB 4.32Å; P311-L345 WeakPolarHBondContact CB-O 3.29Å; I314-L345 HydrophobicContact CB-CD1 4.04Å; I314-L345 HydrophobicContact CD1-CD1 4.49Å; I314-L345 HydrophobicContact CD1-CD2 4.12Å; I314-L345 HydrophobicContact CG2-CD1 3.42Å; I314-L345 VanDerWaalsContact CG2-CD1 3.42Å; V341-L345 HydrophobicContact CG1-CD1 3.91Å; V341-L345 HydrophobicContact CG1-CG 4.24Å; V341-L345 WeakPolarHBondContact O-CB 3.34Å; V341-L345 VanDerWaalsContact O-CG 3.27Å; V341-L345 WeakPolarHBondContact O-CG 3.25Å; V341-L345 PolarHBondContact O-N 3.32Å; L342-L345 HydrophobicContact CD2-CD1 4.34Å; L342-L345 PolarHBondContact O-N 2.94Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.89Å; L345-L348 HydrophobicContact CD2-CD1 3.9Å; L345-L348 WeakPolarHBondContact O-CB 3.03Å; L345-L348 PolarHBondContact O-N 2.98Å |
| 346 | R | 76.1 | Confident | 78 | Confident | 86 Ų | 86 | 70.4 Ų | 70.4 | 33% | 0.325 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 173 | -164.6 | -176.5 | -66.2 | 177.1 | -1.9 | 111.6 | E256 L342 R343 V344 R349 | E256-R346 VanDerWaalsContact CD-NH2 3.26Å; E256-R346 IonicContact OE1-CZ 3.25Å; E256-R346 IonicContact OE1-NH1 2.69Å; E256-R346 IonicContact OE1-NH2 3.23Å; E256-R346 PolarHBondContact OE1-NH2 3.11Å; E256-R346 IonicContact OE2-CZ 2.72Å; E256-R346 VanDerWaalsContact OE2-CZ 3.25Å; E256-R346 IonicContact OE2-NH1 3.47Å; E256-R346 PolarHBondContact OE2-NH1 2.65Å; E256-R346 IonicContact OE2-NH2 3.05Å; E256-R346 PolarHBondContact OE2-NH2 2.8Å; L342-R346 WeakPolarHBondContact O-CB 3.02Å; L342-R346 PolarHBondContact O-N 3.5Å; R343-R346 PolarHBondContact O-N 3.43Å; V344-R346 VanDerWaalsContact C-N 3.28Å; V344-R346 PolarHBondContact O-N 2.9Å; R346-R349 VanDerWaalsContact O-CB 3.25Å; R346-R349 WeakPolarHBondContact O-CB 3.39Å; R346-R349 VanDerWaalsContact O-CG 3.29Å; R346-R349 WeakPolarHBondContact O-CG 3.4Å; R346-R349 PolarHBondContact O-N 2.92Å |
| 347 | A | 78.6 | Confident | 78.9 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 54% | 0.537 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R343 V344 L345 R349 I350 | R343-A347 PolarHBondContact O-N 3.24Å; V344-A347 WeakPolarHBondContact O-CA 3.47Å; V344-A347 WeakPolarHBondContact O-CB 3.27Å; V344-A347 PolarHBondContact O-N 3.44Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 2.89Å; A347-R349 PolarHBondContact O-N 2.67Å; A347-R349 VanDerWaalsContact O-N 3.07Å; A347-I350 WeakPolarHBondContact O-CB 3.49Å; A347-I350 WeakPolarHBondContact O-CG2 3.47Å; A347-I350 PolarHBondContact O-N 3.21Å |
| 348 | L | 82.7 | Confident | 79.5 | Confident | 61 Ų | 61 | 61.3 Ų | 61.3 | 32% | 0.319 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -17.2 | 174.4 | -64.9 | 179.9 | 0 | 0 | 0 | 113.1 | P311 V344 L345 I350 L351 | P311-L348 HydrophobicContact CG-CB 3.77Å; P311-L348 HydrophobicContact CG-CD1 4.46Å; V344-L348 PolarHBondContact O-N 2.98Å; L345-L348 HydrophobicContact CD2-CD1 3.9Å; L345-L348 WeakPolarHBondContact O-CB 3.03Å; L345-L348 PolarHBondContact O-N 2.98Å; L348-I350 PolarHBondContact O-N 3.39Å; L348-I350 VanDerWaalsContact O-N 3.15Å; L348-L351 HydrophobicContact CB-CD1 4.37Å; L348-L351 HydrophobicContact CD2-CD1 3.88Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 WeakPolarHBondContact O-CG 3.38Å; L348-L351 PolarHBondContact O-N 3.13Å |
| 349 | R | 81.4 | Confident | 79.9 | Confident | 31 Ų | 31 | 63 Ų | 63 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -59.6 | -22.1 | 172.6 | -60.4 | 177.6 | -174.5 | -168.6 | -8.3 | 113 | L244 E272 P311 R346 A347 L351 Y352 | L244-R349 HydrophobicContact CD1-CB 3.95Å; E272-R349 IonicContact OE1-CZ 3.09Å; E272-R349 IonicContact OE1-NE 3.4Å; E272-R349 PolarHBondContact OE1-NE 2.86Å; E272-R349 IonicContact OE1-NH1 2.96Å; E272-R349 PolarHBondContact OE1-NH1 3.18Å; E272-R349 IonicContact OE1-NH2 2.71Å; E272-R349 PolarHBondContact OE1-NH2 2.81Å; E272-R349 VanDerWaalsContact OE1-NH2 3.12Å; E272-R349 IonicContact OE2-CZ 2.79Å; E272-R349 IonicContact OE2-NH1 2.93Å; E272-R349 PolarHBondContact OE2-NH1 2.83Å; E272-R349 IonicContact OE2-NH2 3.12Å; P311-R349 HydrophobicContact CB-CG 4.37Å; R346-R349 VanDerWaalsContact O-CB 3.25Å; R346-R349 WeakPolarHBondContact O-CB 3.39Å; R346-R349 VanDerWaalsContact O-CG 3.29Å; R346-R349 WeakPolarHBondContact O-CG 3.4Å; R346-R349 PolarHBondContact O-N 2.92Å; A347-R349 PolarHBondContact O-N 2.67Å; A347-R349 VanDerWaalsContact O-N 3.07Å; R349-L351 PolarHBondContact O-N 3.5Å; R349-Y352 HydrophobicContact CB-CD1 4.34Å; R349-Y352 HydrophobicContact CB-CE1 4.02Å; R349-Y352 HydrophobicContact CG-CE1 4.13Å; R349-Y352 WeakPolarHBondContact O-CB 3.29Å; R349-Y352 WeakPolarHBondContact O-CD1 3.46Å; R349-Y352 PolarHBondContact O-N 2.87Å |
| 350 | I | 83.6 | Confident | 80.5 | Confident | 111 Ų | 111 | 63 Ų | 63 | 57% | 0.569 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -61.5 | -26.1 | 172.7 | -157.1 | 166.1 | 0 | 0 | 0 | 112.7 | L244 A347 L348 Y352 V353 | L244-I350 HydrophobicContact CD2-CB 4.2Å; L244-I350 HydrophobicContact CD2-CG1 4.24Å; A347-I350 WeakPolarHBondContact O-CB 3.49Å; A347-I350 WeakPolarHBondContact O-CG2 3.47Å; A347-I350 PolarHBondContact O-N 3.21Å; L348-I350 PolarHBondContact O-N 3.39Å; L348-I350 VanDerWaalsContact O-N 3.15Å; I350-Y352 PolarHBondContact O-N 2.93Å; I350-Y352 VanDerWaalsContact O-N 3.11Å; I350-V353 PolarHBondContact O-N 3.37Å |
| 351 | L | 83.7 | Confident | 80.9 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -66.2 | -11.4 | 176.3 | -58.7 | 176.1 | 0 | 0 | 0 | 112.5 | V307 L348 R349 V353 M354 | V307-L351 HydrophobicContact CG1-CD1 3.48Å; V307-L351 VanDerWaalsContact CG1-CD1 3.48Å; L348-L351 HydrophobicContact CB-CD1 4.37Å; L348-L351 HydrophobicContact CD2-CD1 3.88Å; L348-L351 WeakPolarHBondContact O-CB 3.36Å; L348-L351 WeakPolarHBondContact O-CG 3.38Å; L348-L351 PolarHBondContact O-N 3.13Å; R349-L351 PolarHBondContact O-N 3.5Å; L351-V353 PolarHBondContact O-N 3.35Å; L351-M354 HydrophobicContact CD2-CG 4.39Å; L351-M354 VanDerWaalsContact O-CB 3.28Å; L351-M354 WeakPolarHBondContact O-CB 3.37Å; L351-M354 PolarHBondContact O-N 2.87Å |
| 352 | Y | 83.1 | Confident | 81.1 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -62.6 | -35.6 | 176.8 | -70.4 | 27.7 | 0 | 0 | 0 | 110.1 | T240 V276 F279 A308 R349 I350 M354 R355 | T240-Y352 HydrophobicContact CG2-CD2 4.37Å; V276-Y352 HydrophobicContact CG2-CE2 4.14Å; F279-Y352 HydrophobicContact CE2-CD2 4.17Å; A308-Y352 VanDerWaalsContact C-CE1 3.46Å; A308-Y352 HydrophobicContact CB-CD1 3.71Å; A308-Y352 HydrophobicContact CB-CE1 4.12Å; A308-Y352 HydrophobicContact CB-CG 4.33Å; A308-Y352 WeakPolarHBondContact O-CE1 3.47Å; A308-Y352 PolarHBondContact O-OH 3.06Å; R349-Y352 HydrophobicContact CB-CD1 4.34Å; R349-Y352 HydrophobicContact CB-CE1 4.02Å; R349-Y352 HydrophobicContact CG-CE1 4.13Å; R349-Y352 WeakPolarHBondContact O-CB 3.29Å; R349-Y352 WeakPolarHBondContact O-CD1 3.46Å; R349-Y352 PolarHBondContact O-N 2.87Å; I350-Y352 PolarHBondContact O-N 2.93Å; I350-Y352 VanDerWaalsContact O-N 3.11Å; Y352-M354 PolarHBondContact O-N 3.41Å; Y352-R355 VanDerWaalsContact O-CB 3.28Å; Y352-R355 WeakPolarHBondContact O-CB 3.31Å; Y352-R355 WeakPolarHBondContact O-CG 3.17Å; Y352-R355 PolarHBondContact O-N 3.13Å; Y352-R355 VanDerWaalsContact O-N 3.12Å |
| 353 | V | 83.7 | Confident | 81.6 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 39% | 0.388 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -63.4 | -31.4 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | A241 I350 L351 R355 L356 | A241-V353 HydrophobicContact CB-CG2 4.22Å; I350-V353 PolarHBondContact O-N 3.37Å; L351-V353 PolarHBondContact O-N 3.35Å; V353-R355 PolarHBondContact O-N 3.41Å; V353-R355 VanDerWaalsContact O-N 3.14Å; V353-L356 VanDerWaalsContact O-CB 3.23Å; V353-L356 WeakPolarHBondContact O-CB 3.47Å; V353-L356 PolarHBondContact O-N 3.42Å |
| 354 | M | 83.9 | Confident | 82.1 | Confident | 92 Ų | 92 | 52.6 Ų | 52.6 | 45% | 0.453 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.3 | -18.6 | 178 | -62.4 | -60 | -64.1 | 0 | 0 | 112.8 | I304 L351 Y352 L356 A357 | I304-M354 HydrophobicContact CG2-CB 3.81Å; L351-M354 HydrophobicContact CD2-CG 4.39Å; L351-M354 VanDerWaalsContact O-CB 3.28Å; L351-M354 WeakPolarHBondContact O-CB 3.37Å; L351-M354 PolarHBondContact O-N 2.87Å; Y352-M354 PolarHBondContact O-N 3.41Å; M354-L356 PolarHBondContact O-N 3.23Å; M354-A357 WeakPolarHBondContact O-CB 3.38Å; M354-A357 PolarHBondContact O-N 3.4Å |
| 355 | R | 82.3 | Confident | 82.3 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 2% | 0.023 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -63.5 | -20.1 | 173 | -63.9 | -169.7 | 65.8 | -159.8 | -11.4 | 113.3 | V237 F279 E282 I304 D305 A308 Y352 V353 A357 R358 | V237-R355 HydrophobicContact CG2-CB 4.36Å; F279-R355 VanDerWaalsContact CD2-NH1 3.27Å; E282-R355 IonicContact OE2-NH2 2.76Å; E282-R355 PolarHBondContact OE2-NH2 3.47Å; I304-R355 HydrophobicContact CG2-CG 4.15Å; D305-R355 WeakPolarHBondContact OD1-CG 3.37Å; D305-R355 IonicContact OD1-CZ 3.88Å; D305-R355 IonicContact OD1-NE 2.87Å; D305-R355 PolarHBondContact OD1-NE 2.89Å; D305-R355 IonicContact OD1-NH2 2.95Å; A308-R355 HydrophobicContact CB-CG 4.17Å; Y352-R355 VanDerWaalsContact O-CB 3.28Å; Y352-R355 WeakPolarHBondContact O-CB 3.31Å; Y352-R355 WeakPolarHBondContact O-CG 3.17Å; Y352-R355 PolarHBondContact O-N 3.13Å; Y352-R355 VanDerWaalsContact O-N 3.12Å; V353-R355 PolarHBondContact O-N 3.41Å; V353-R355 VanDerWaalsContact O-N 3.14Å; R355-A357 PolarHBondContact O-N 3.33Å; R355-A357 VanDerWaalsContact O-N 3.12Å; R355-R358 PolarHBondContact O-N 3.13Å |
| 356 | L | 82.8 | Confident | 82.6 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -57.8 | -24.3 | 170.6 | -167.4 | 67.1 | 0 | 0 | 0 | 111.9 | V237 V353 M354 R358 H359 S360 L363 | V237-L356 HydrophobicContact CG1-CB 4.46Å; V353-L356 VanDerWaalsContact O-CB 3.23Å; V353-L356 WeakPolarHBondContact O-CB 3.47Å; V353-L356 PolarHBondContact O-N 3.42Å; M354-L356 PolarHBondContact O-N 3.23Å; L356-R358 PolarHBondContact O-N 2.81Å; L356-H359 CarbonylContact O-C 3.6Å; L356-H359 PolarHBondContact O-N 3.14Å; L356-S360 WeakPolarHBondContact O-CB 3.35Å; L356-S360 PolarHBondContact O-N 3.04Å; L356-L363 HydrophobicContact CB-CD2 4.4Å |
| 357 | A | 83.2 | Confident | 83.1 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -55.5 | -35.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L301 M354 R355 H359 S360 L363 Q364 | L301-A357 HydrophobicContact CD2-CB 4.31Å; M354-A357 WeakPolarHBondContact O-CB 3.38Å; M354-A357 PolarHBondContact O-N 3.4Å; R355-A357 PolarHBondContact O-N 3.33Å; R355-A357 VanDerWaalsContact O-N 3.12Å; A357-H359 PolarHBondContact O-N 3.21Å; A357-S360 PolarHBondContact O-N 3.25Å; A357-L363 HydrophobicContact CB-CB 3.99Å; A357-L363 HydrophobicContact CB-CD2 4.04Å; A357-Q364 WeakPolarHBondContact O-CG 3.04Å; A357-Q364 PolarHBondContact O-NE2 2.81Å |
| 358 | R | 80.5 | Confident | 83.3 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 22% | 0.223 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -65.2 | -28.4 | 177 | -177.6 | 177.2 | -67.4 | -74.5 | 3.8 | 112.8 | D305 R355 L356 Q364 | D305-R358 IonicContact OD2-CZ 2.8Å; D305-R358 VanDerWaalsContact OD2-CZ 3.27Å; D305-R358 IonicContact OD2-NE 3.43Å; D305-R358 PolarHBondContact OD2-NE 3.01Å; D305-R358 IonicContact OD2-NH2 2.72Å; D305-R358 PolarHBondContact OD2-NH2 3.21Å; R355-R358 PolarHBondContact O-N 3.13Å; L356-R358 PolarHBondContact O-N 2.81Å; R358-Q364 PolarHBondContact O-NE2 3.36Å; R358-Q364 VanDerWaalsContact O-NE2 3.14Å |
| 359 | H | 81.8 | Confident | 83.6 | Confident | 65 Ų | 65 | 46.9 Ų | 46.9 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -9.8 | -175.7 | -62.7 | -74.2 | 0 | 0 | 0 | 113.4 | S233 V234 L356 A357 | S233-H359 VanDerWaalsContact CB-CE1 3.41Å; S233-H359 WeakPolarHBondContact CB-CE1 3.44Å; S233-H359 WeakPolarHBondContact CB-NE2 3.3Å; V234-H359 HydrophobicContact CG2-CB 3.96Å; L356-H359 CarbonylContact O-C 3.6Å; L356-H359 PolarHBondContact O-N 3.14Å; A357-H359 PolarHBondContact O-N 3.21Å |
| 360 | S | 84.3 | Confident | 83.8 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 25% | 0.252 | 27% | 0.269 | S | S | . | . | trans | -117.1 | 112.1 | -178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L356 A357 G362 L363 Q364 | L356-S360 WeakPolarHBondContact O-CB 3.35Å; L356-S360 PolarHBondContact O-N 3.04Å; A357-S360 PolarHBondContact O-N 3.25Å; S360-G362 PolarHBondContact O-N 3.33Å; S360-G362 PolarHBondContact OG-N 3.24Å; S360-L363 PolarHBondContact O-N 3.11Å; S360-L363 PolarHBondContact OG-N 2.99Å; S360-Q364 WeakPolarHBondContact O-CG 3.49Å; S360-Q364 PolarHBondContact O-N 3.05Å | ||
| 361 | L | 80.2 | Confident | 84 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.188 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.5 | -42 | 170.5 | -178.7 | 62.8 | 0 | 0 | 0 | 110.6 | L363 Q364 T365 Y467 L470 | L361-L363 PolarHBondContact O-N 3.47Å; L361-Q364 WeakPolarHBondContact O-CB 3.42Å; L361-Q364 PolarHBondContact O-N 2.85Å; L361-Q364 VanDerWaalsContact O-N 3.14Å; L361-T365 PolarHBondContact O-N 3.4Å; L361-T365 PolarHBondContact O-OG1 3.47Å; L361-Y467 HydrophobicContact CD2-CE2 4.26Å; L361-L470 HydrophobicContact CD1-CB 4.09Å; L361-L470 HydrophobicContact CD1-CD1 4.48Å |
| 362 | G | 82.7 | Confident | 84.1 | Confident | 26 Ų | 26 | 54.4 Ų | 54.4 | 27% | 0.268 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.6 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S360 T365 L366 | S360-G362 PolarHBondContact O-N 3.33Å; S360-G362 PolarHBondContact OG-N 3.24Å; G362-T365 PolarHBondContact O-N 3.37Å; G362-L366 VanDerWaalsContact O-CG 3.29Å; G362-L366 WeakPolarHBondContact O-CG 3.29Å; G362-L366 PolarHBondContact O-N 2.92Å |
| 363 | L | 84.1 | Confident | 84.4 | Confident | 61 Ų | 61 | 54 Ų | 54 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 176.8 | -104.4 | 64.4 | 0 | 0 | 0 | 112.4 | L356 A357 S360 L361 L366 G367 | L356-L363 HydrophobicContact CB-CD2 4.4Å; A357-L363 HydrophobicContact CB-CB 3.99Å; A357-L363 HydrophobicContact CB-CD2 4.04Å; S360-L363 PolarHBondContact O-N 3.11Å; S360-L363 PolarHBondContact OG-N 2.99Å; L361-L363 PolarHBondContact O-N 3.47Å; L363-L366 HydrophobicContact CD1-CD1 4.33Å; L363-L366 PolarHBondContact O-N 2.87Å; L363-G367 PolarHBondContact O-N 3.38Å |
| 364 | Q | 85.3 | Confident | 84.6 | Confident | 63 Ų | 63 | 55.4 Ų | 55.4 | 29% | 0.294 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -44.5 | 174.4 | -63.9 | 174.5 | 22.8 | 0 | 0 | 110.7 | A357 R358 S360 L361 L366 G367 L368 | A357-Q364 WeakPolarHBondContact O-CG 3.04Å; A357-Q364 PolarHBondContact O-NE2 2.81Å; R358-Q364 PolarHBondContact O-NE2 3.36Å; R358-Q364 VanDerWaalsContact O-NE2 3.14Å; S360-Q364 WeakPolarHBondContact O-CG 3.49Å; S360-Q364 PolarHBondContact O-N 3.05Å; L361-Q364 WeakPolarHBondContact O-CB 3.42Å; L361-Q364 PolarHBondContact O-N 2.85Å; L361-Q364 VanDerWaalsContact O-N 3.14Å; Q364-L366 VanDerWaalsContact C-N 3.33Å; Q364-L366 PolarHBondContact O-N 2.92Å; Q364-G367 PolarHBondContact O-N 3.3Å; Q364-L368 WeakPolarHBondContact O-CB 3.26Å; Q364-L368 PolarHBondContact O-N 2.65Å |
| 365 | T | 84.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -43.4 | 173.9 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | L361 G362 G367 L368 T369 F463 Y467 L470 | L361-T365 PolarHBondContact O-N 3.4Å; L361-T365 PolarHBondContact O-OG1 3.47Å; G362-T365 PolarHBondContact O-N 3.37Å; T365-G367 PolarHBondContact O-N 2.65Å; T365-L368 PolarHBondContact O-N 3.36Å; T365-T369 VanDerWaalsContact O-CB 3.26Å; T365-T369 WeakPolarHBondContact O-CB 3.3Å; T365-T369 PolarHBondContact O-N 2.72Å; T365-T369 PolarHBondContact O-OG1 2.96Å; T365-F463 HydrophobicContact CG2-CD2 3.77Å; T365-F463 HydrophobicContact CG2-CE2 3.56Å; T365-F463 HydrophobicContact CG2-CZ 4.26Å; T365-Y467 HydrophobicContact CG2-CD2 4.39Å; T365-L470 HydrophobicContact CG2-CD1 4.44Å; T365-L470 WeakPolarHBondContact OG1-CD1 3.4Å |
| 366 | L | 87.2 | Confident | 85.2 | Confident | 96 Ų | 96 | 61.9 Ų | 61.9 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 175.7 | -75.3 | 172.2 | 0 | 0 | 0 | 111.7 | G362 L363 Q364 T369 A370 F463 | G362-L366 VanDerWaalsContact O-CG 3.29Å; G362-L366 WeakPolarHBondContact O-CG 3.29Å; G362-L366 PolarHBondContact O-N 2.92Å; L363-L366 HydrophobicContact CD1-CD1 4.33Å; L363-L366 PolarHBondContact O-N 2.87Å; Q364-L366 VanDerWaalsContact C-N 3.33Å; Q364-L366 PolarHBondContact O-N 2.92Å; L366-T369 PolarHBondContact O-N 3.47Å; L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 2.82Å; L366-F463 HydrophobicContact CD2-CD2 3.81Å; L366-F463 HydrophobicContact CD2-CE2 3.61Å; L366-F463 HydrophobicContact CG-CD2 4.43Å; L366-F463 HydrophobicContact CG-CE2 3.86Å |
| 367 | G | 85.7 | Confident | 85.5 | Confident | 45 Ų | 45 | 63.1 Ų | 63.1 | 46% | 0.464 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L363 Q364 T365 A370 R371 | L363-G367 PolarHBondContact O-N 3.38Å; Q364-G367 PolarHBondContact O-N 3.3Å; T365-G367 PolarHBondContact O-N 2.65Å; G367-A370 PolarHBondContact O-N 3.25Å; G367-R371 PolarHBondContact O-N 3.15Å |
| 368 | L | 83.6 | Confident | 85.9 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 176.4 | -176.3 | 62.3 | 0 | 0 | 0 | 111.6 | Q364 T365 R371 R372 L470 | Q364-L368 WeakPolarHBondContact O-CB 3.26Å; Q364-L368 PolarHBondContact O-N 2.65Å; T365-L368 PolarHBondContact O-N 3.36Å; L368-R371 PolarHBondContact O-N 3.05Å; L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 3.07Å; L368-L470 HydrophobicContact CD2-CD1 3.89Å; L368-L470 HydrophobicContact CD2-CD2 4.45Å; L368-L470 HydrophobicContact CD2-CG 4.22Å |
| 369 | T | 87.5 | Confident | 86.3 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.2 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | T365 L366 R371 R372 C373 I459 T462 F463 | T365-T369 VanDerWaalsContact O-CB 3.26Å; T365-T369 WeakPolarHBondContact O-CB 3.3Å; T365-T369 PolarHBondContact O-N 2.72Å; T365-T369 PolarHBondContact O-OG1 2.96Å; L366-T369 PolarHBondContact O-N 3.47Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 3.4Å; T369-R372 PolarHBondContact O-N 2.93Å; T369-R372 VanDerWaalsContact O-N 3.17Å; T369-C373 VanDerWaalsContact O-CB 3.32Å; T369-C373 WeakPolarHBondContact O-CB 3.28Å; T369-C373 PolarHBondContact O-N 3.28Å; T369-C373 PolarHBondContact O-SG 3.48Å; T369-C373 VanDerWaalsContact O-SG 3.42Å; T369-I459 HydrophobicContact CG2-CG2 4.39Å; T369-T462 HydrophobicContact CG2-CG2 4.21Å; T369-F463 HydrophobicContact CG2-CB 3.83Å; T369-F463 WeakPolarHBondContact OG1-CA 3.35Å |
| 370 | A | 86.9 | Confident | 86.8 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 37% | 0.372 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -57.9 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L366 G367 T374 | L366-A370 WeakPolarHBondContact O-CB 3.48Å; L366-A370 PolarHBondContact O-N 2.82Å; G367-A370 PolarHBondContact O-N 3.25Å; A370-T374 WeakPolarHBondContact O-CG2 3.2Å; A370-T374 PolarHBondContact O-N 3.05Å; A370-T374 VanDerWaalsContact O-N 3.14Å |
| 371 | R | 87.1 | Confident | 87.2 | Confident | 194 Ų | 194 | 65.9 Ų | 65.9 | 73% | 0.732 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.9 | -46.7 | 175.2 | -174.7 | 178.1 | 175.2 | -170.1 | -3.1 | 112.1 | G367 L368 T369 T374 | G367-R371 PolarHBondContact O-N 3.15Å; L368-R371 PolarHBondContact O-N 3.05Å; T369-R371 VanDerWaalsContact C-N 3.27Å; T369-R371 PolarHBondContact O-N 3.4Å; R371-T374 VanDerWaalsContact O-CG2 3.29Å; R371-T374 WeakPolarHBondContact O-CG2 3.34Å; R371-T374 PolarHBondContact O-N 2.84Å; R371-T374 PolarHBondContact O-OG1 3.07Å |
| 372 | R | 86.8 | Confident | 87.8 | Confident | 119 Ų | 119 | 68.9 Ų | 68.9 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.6 | -35 | -179.6 | -71.2 | 174.4 | 178.9 | -173.5 | -6.8 | 112.2 | L368 T369 T462 S466 E469 | L368-R372 WeakPolarHBondContact O-CG 3.25Å; L368-R372 PolarHBondContact O-N 3.07Å; T369-R372 PolarHBondContact O-N 2.93Å; T369-R372 VanDerWaalsContact O-N 3.17Å; R372-T462 HydrophobicContact CB-CG2 4.03Å; R372-S466 PolarHBondContact NH1-OG 2.89Å; R372-E469 IonicContact CZ-OE2 2.65Å; R372-E469 IonicContact NH1-OE2 3.19Å; R372-E469 PolarHBondContact NH1-OE2 2.96Å; R372-E469 IonicContact NH2-OE2 3.36Å; R372-E469 PolarHBondContact NH2-OE2 2.73Å |
| 373 | C | 88.9 | Confident | 88.3 | Confident | 2 Ų | 2 | 72.5 Ų | 72.5 | 1% | 0.014 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 13.9 | 179 | -62.1 | 0 | 0 | 0 | 0 | 114 | T369 R375 E376 F377 I459 T462 | T369-C373 VanDerWaalsContact O-CB 3.32Å; T369-C373 WeakPolarHBondContact O-CB 3.28Å; T369-C373 PolarHBondContact O-N 3.28Å; T369-C373 PolarHBondContact O-SG 3.48Å; T369-C373 VanDerWaalsContact O-SG 3.42Å; C373-R375 PolarHBondContact O-N 3.41Å; C373-R375 VanDerWaalsContact O-N 3.14Å; C373-E376 HydrophobicContact CB-CB 4.43Å; C373-E376 PolarHBondContact O-N 3.24Å; C373-F377 HydrophobicContact CB-CD2 3.79Å; C373-F377 HydrophobicContact CB-CE2 3.98Å; C373-F377 WeakPolarHBondContact O-CD2 3.39Å; C373-F377 PolarHBondContact O-N 3.46Å; C373-I459 HydrophobicContact CB-CG1 4.16Å; C373-T462 WeakPolarHBondContact SG-CB 3.29Å; C373-T462 WeakPolarHBondContact SG-CG2 3.17Å; C373-T462 PolarHBondContact SG-OG1 3.39Å |
| 374 | T | 88.4 | Confident | 88.7 | Confident | 94 Ų | 94 | 70.9 Ų | 70.9 | 58% | 0.577 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -53 | -38.6 | -177.8 | 40 | 0 | 0 | 0 | 0 | 112.9 | A370 R371 G378 | A370-T374 WeakPolarHBondContact O-CG2 3.2Å; A370-T374 PolarHBondContact O-N 3.05Å; A370-T374 VanDerWaalsContact O-N 3.14Å; R371-T374 VanDerWaalsContact O-CG2 3.29Å; R371-T374 WeakPolarHBondContact O-CG2 3.34Å; R371-T374 PolarHBondContact O-N 2.84Å; R371-T374 PolarHBondContact O-OG1 3.07Å; T374-G378 PolarHBondContact O-N 2.82Å |
| 375 | R | 88.6 | Confident | 89.2 | Confident | 189 Ų | 189 | 71 Ų | 71 | 71% | 0.713 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.6 | -47.5 | 175.1 | -177.1 | -178.5 | 168.3 | 111.4 | -0.9 | 112.2 | C373 G378 L379 | C373-R375 PolarHBondContact O-N 3.41Å; C373-R375 VanDerWaalsContact O-N 3.14Å; R375-G378 PolarHBondContact O-N 3.28Å; R375-L379 HydrophobicContact CG-CD1 4.42Å; R375-L379 WeakPolarHBondContact O-CG 3.32Å; R375-L379 PolarHBondContact O-N 3.09Å |
| 376 | E | 89.9 | Confident | 89.7 | Confident | 45 Ų | 45 | 74.7 Ų | 74.7 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.9 | -59.3 | -54.2 | 143.2 | 0 | 0 | 111.8 | C373 G378 L379 L380 | C373-E376 HydrophobicContact CB-CB 4.43Å; C373-E376 PolarHBondContact O-N 3.24Å; E376-G378 VanDerWaalsContact C-N 3.32Å; E376-G378 PolarHBondContact O-N 2.71Å; E376-L379 PolarHBondContact O-N 2.96Å; E376-L380 WeakPolarHBondContact O-CB 2.7Å; E376-L380 PolarHBondContact O-N 3.37Å |
| 377 | F | 88.8 | Confident | 90.1 | Very high | 90 Ų | 90 | 70.4 Ų | 70.4 | 40% | 0.395 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 171.6 | -87 | -72 | 0 | 0 | 0 | 112 | C373 L380 L381 I459 | C373-F377 HydrophobicContact CB-CD2 3.79Å; C373-F377 HydrophobicContact CB-CE2 3.98Å; C373-F377 WeakPolarHBondContact O-CD2 3.39Å; C373-F377 PolarHBondContact O-N 3.46Å; F377-L380 PolarHBondContact O-N 3.01Å; F377-L381 WeakPolarHBondContact O-CB 3.38Å; F377-L381 PolarHBondContact O-N 3.3Å; F377-I459 HydrophobicContact CD1-CD1 4.03Å; F377-I459 HydrophobicContact CD2-CD1 4.14Å; F377-I459 HydrophobicContact CD2-CG1 4.36Å; F377-I459 HydrophobicContact CE1-CD1 3.66Å; F377-I459 HydrophobicContact CE2-CD1 3.77Å; F377-I459 HydrophobicContact CE2-CG1 3.93Å; F377-I459 HydrophobicContact CE2-CG2 4.17Å; F377-I459 HydrophobicContact CG-CD1 4.26Å; F377-I459 HydrophobicContact CZ-CD1 3.52Å; F377-I459 HydrophobicContact CZ-CG1 4.11Å; F377-I459 HydrophobicContact CZ-CG2 4.09Å |
| 378 | G | 90.6 | Very high | 90.6 | Very high | 39 Ų | 39 | 69.1 Ų | 69.1 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T374 R375 E376 L381 L382 | T374-G378 PolarHBondContact O-N 2.82Å; R375-G378 PolarHBondContact O-N 3.28Å; E376-G378 VanDerWaalsContact C-N 3.32Å; E376-G378 PolarHBondContact O-N 2.71Å; G378-L381 PolarHBondContact O-N 3.33Å; G378-L382 WeakPolarHBondContact O-CB 3.33Å; G378-L382 PolarHBondContact O-N 2.88Å |
| 379 | L | 90.3 | Very high | 91.2 | Very high | 58 Ų | 58 | 69.1 Ų | 69.1 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 175.8 | -70.8 | 174 | 0 | 0 | 0 | 112.1 | R375 E376 L381 L382 F383 | R375-L379 HydrophobicContact CG-CD1 4.42Å; R375-L379 WeakPolarHBondContact O-CG 3.32Å; R375-L379 PolarHBondContact O-N 3.09Å; E376-L379 PolarHBondContact O-N 2.96Å; L379-L381 PolarHBondContact O-N 3.18Å; L379-L382 PolarHBondContact O-N 3.29Å; L379-F383 WeakPolarHBondContact O-CD2 3.5Å; L379-F383 WeakPolarHBondContact O-CG 3.27Å; L379-F383 PolarHBondContact O-N 3.17Å |
| 380 | L | 91.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 74.5 Ų | 74.5 | 12% | 0.115 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.2 | -50.6 | 174.5 | 177 | 65.4 | 0 | 0 | 0 | 111.1 | E376 F377 L382 F383 L384 M452 P455 | E376-L380 WeakPolarHBondContact O-CB 2.7Å; E376-L380 PolarHBondContact O-N 3.37Å; F377-L380 PolarHBondContact O-N 3.01Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.05Å; L380-F383 PolarHBondContact O-N 3.43Å; L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.74Å; L380-M452 HydrophobicContact CD1-SD 3.68Å; L380-M452 HydrophobicContact CD2-SD 4.39Å; L380-M452 HydrophobicContact CG-SD 4.42Å; L380-P455 HydrophobicContact CB-CB 3.82Å; L380-P455 HydrophobicContact CB-CG 3.83Å; L380-P455 HydrophobicContact CD1-CB 3.99Å; L380-P455 HydrophobicContact CD1-CG 3.67Å; L380-P455 HydrophobicContact CD2-CB 4.19Å; L380-P455 HydrophobicContact CG-CB 4.21Å; L380-P455 HydrophobicContact CG-CG 4.25Å |
| 381 | L | 92 | Very high | 92 | Very high | 108 Ų | 108 | 73.8 Ų | 73.8 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.7 | -40.9 | 179.4 | -176.8 | 63.4 | 0 | 0 | 0 | 111.4 | F377 G378 L379 L384 C385 | F377-L381 WeakPolarHBondContact O-CB 3.38Å; F377-L381 PolarHBondContact O-N 3.3Å; G378-L381 PolarHBondContact O-N 3.33Å; L379-L381 PolarHBondContact O-N 3.18Å; L381-L384 PolarHBondContact O-N 3.23Å; L381-C385 WeakPolarHBondContact O-CB 3.33Å; L381-C385 PolarHBondContact O-N 2.91Å; L381-C385 PolarHBondContact O-SG 3.33Å |
| 382 | L | 93.2 | Very high | 92.4 | Very high | 98 Ų | 98 | 64.5 Ų | 64.5 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 177 | 179.6 | 67.3 | 0 | 0 | 0 | 111.5 | G378 L379 L380 L384 C385 V386 | G378-L382 WeakPolarHBondContact O-CB 3.33Å; G378-L382 PolarHBondContact O-N 2.88Å; L379-L382 PolarHBondContact O-N 3.29Å; L380-L382 VanDerWaalsContact C-N 3.33Å; L380-L382 PolarHBondContact O-N 3.05Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.23Å; L382-C385 PolarHBondContact O-N 3.49Å; L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 3.31Å |
| 383 | F | 93 | Very high | 92.9 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 45% | 0.447 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.9 | -38 | 179.9 | -65.6 | -36.7 | 0 | 0 | 0 | 112.6 | L379 L380 V386 A387 L451 | L379-F383 WeakPolarHBondContact O-CD2 3.5Å; L379-F383 WeakPolarHBondContact O-CG 3.27Å; L379-F383 PolarHBondContact O-N 3.17Å; L380-F383 PolarHBondContact O-N 3.43Å; F383-V386 PolarHBondContact O-N 2.99Å; F383-A387 WeakPolarHBondContact O-CB 3.3Å; F383-A387 PolarHBondContact O-N 3.08Å; F383-L451 HydrophobicContact CB-CD1 4.41Å; F383-L451 HydrophobicContact CB-CD2 3.86Å; F383-L451 HydrophobicContact CD2-CD2 4.41Å; F383-L451 HydrophobicContact CG-CD2 4.29Å |
| 384 | L | 93.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 64.4 Ų | 64.4 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 174.7 | -173.9 | 67.7 | 0 | 0 | 0 | 111.2 | L380 L381 L382 V386 A387 I388 M422 | L380-L384 VanDerWaalsContact O-CB 3.32Å; L380-L384 WeakPolarHBondContact O-CB 3.42Å; L380-L384 PolarHBondContact O-N 2.74Å; L381-L384 PolarHBondContact O-N 3.23Å; L382-L384 VanDerWaalsContact C-N 3.35Å; L382-L384 PolarHBondContact O-N 3.23Å; L384-V386 PolarHBondContact O-N 2.71Å; L384-A387 PolarHBondContact O-N 3.38Å; L384-I388 HydrophobicContact CD1-CD1 4.2Å; L384-I388 HydrophobicContact CD2-CD1 4.42Å; L384-I388 HydrophobicContact CG-CD1 3.76Å; L384-I388 WeakPolarHBondContact O-CB 3.22Å; L384-I388 WeakPolarHBondContact O-CD1 3.34Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.33Å; L384-I388 PolarHBondContact O-N 3.49Å; L384-M422 HydrophobicContact CD1-CB 4.17Å; L384-M422 HydrophobicContact CD1-CE 4.06Å; L384-M422 HydrophobicContact CD1-SD 4.22Å |
| 385 | C | 95.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 60 Ų | 60 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.8 | -75.1 | 0 | 0 | 0 | 0 | 112.4 | L381 L382 I388 A389 | L381-C385 WeakPolarHBondContact O-CB 3.33Å; L381-C385 PolarHBondContact O-N 2.91Å; L381-C385 PolarHBondContact O-SG 3.33Å; L382-C385 PolarHBondContact O-N 3.49Å; C385-I388 PolarHBondContact O-N 3.49Å; C385-A389 VanDerWaalsContact O-CB 3.3Å; C385-A389 WeakPolarHBondContact O-CB 3.46Å; C385-A389 PolarHBondContact O-N 2.98Å |
| 386 | V | 95.8 | Very high | 93.7 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 47% | 0.467 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 176.9 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | L382 F383 L384 A389 L390 | L382-V386 WeakPolarHBondContact O-CG2 3.29Å; L382-V386 PolarHBondContact O-N 3.31Å; F383-V386 PolarHBondContact O-N 2.99Å; L384-V386 PolarHBondContact O-N 2.71Å; V386-A389 PolarHBondContact O-N 3.42Å; V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.21Å; V386-L390 VanDerWaalsContact O-N 3.09Å |
| 387 | A | 95.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.7 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F383 L384 A389 L390 F391 M422 L451 | F383-A387 WeakPolarHBondContact O-CB 3.3Å; F383-A387 PolarHBondContact O-N 3.08Å; L384-A387 PolarHBondContact O-N 3.38Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 3.49Å; A387-L390 PolarHBondContact O-N 3.31Å; A387-L390 VanDerWaalsContact O-N 3.13Å; A387-F391 HydrophobicContact CB-CD2 4.25Å; A387-F391 HydrophobicContact CB-CE2 4.33Å; A387-F391 VanDerWaalsContact O-CD2 3.23Å; A387-F391 WeakPolarHBondContact O-CD2 3.45Å; A387-F391 PolarHBondContact O-N 3.37Å; A387-M422 HydrophobicContact CB-CE 3.22Å; A387-M422 HydrophobicContact CB-SD 3.75Å; A387-L451 HydrophobicContact CB-CD1 3.8Å |
| 388 | I | 95.9 | Very high | 94 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 9% | 0.092 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 173.5 | -70.6 | 161.2 | 0 | 0 | 0 | 110.7 | L384 C385 L390 A392 Y415 A418 V419 M422 | L384-I388 HydrophobicContact CD1-CD1 4.2Å; L384-I388 HydrophobicContact CD2-CD1 4.42Å; L384-I388 HydrophobicContact CG-CD1 3.76Å; L384-I388 WeakPolarHBondContact O-CB 3.22Å; L384-I388 WeakPolarHBondContact O-CD1 3.34Å; L384-I388 VanDerWaalsContact O-CG1 3.24Å; L384-I388 WeakPolarHBondContact O-CG1 3.33Å; L384-I388 PolarHBondContact O-N 3.49Å; C385-I388 PolarHBondContact O-N 3.49Å; I388-L390 PolarHBondContact O-N 3.09Å; I388-A392 VanDerWaalsContact O-CB 3.22Å; I388-A392 WeakPolarHBondContact O-CB 3.5Å; I388-A392 PolarHBondContact O-N 3.14Å; I388-Y415 HydrophobicContact CG2-CD1 3.39Å; I388-Y415 HydrophobicContact CG2-CE1 4.11Å; I388-Y415 HydrophobicContact CG2-CG 3.91Å; I388-A418 HydrophobicContact CB-CB 4.39Å; I388-A418 HydrophobicContact CG1-CB 4.17Å; I388-A418 HydrophobicContact CG2-CB 4.09Å; I388-V419 HydrophobicContact CD1-CB 4.47Å; I388-V419 HydrophobicContact CD1-CG2 3.41Å; I388-V419 VanDerWaalsContact CD1-CG2 3.41Å; I388-V419 HydrophobicContact CG1-CG2 4.19Å; I388-M422 HydrophobicContact CG1-SD 3.95Å |
| 389 | A | 96 | Very high | 94.1 | Very high | 48 Ų | 48 | 50.5 Ų | 50.5 | 40% | 0.397 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.3 | -20.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C385 V386 A387 P393 | C385-A389 VanDerWaalsContact O-CB 3.3Å; C385-A389 WeakPolarHBondContact O-CB 3.46Å; C385-A389 PolarHBondContact O-N 2.98Å; V386-A389 PolarHBondContact O-N 3.42Å; A387-A389 VanDerWaalsContact C-N 3.33Å; A387-A389 PolarHBondContact O-N 3.49Å; A389-P393 WeakPolarHBondContact O-CD 3.48Å; A389-P393 VanDerWaalsContact O-CG 3.23Å; A389-P393 WeakPolarHBondContact O-CG 3.31Å |
| 390 | L | 96.2 | Very high | 94 | Very high | 116 Ų | 116 | 50.8 Ų | 50.8 | 61% | 0.607 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -91.4 | -49.6 | 176 | -69.2 | 173.8 | 0 | 0 | 0 | 112.6 | V386 A387 I388 L394 | V386-L390 HydrophobicContact CG1-CD1 4.03Å; V386-L390 VanDerWaalsContact O-CG 3.31Å; V386-L390 WeakPolarHBondContact O-CG 3.37Å; V386-L390 PolarHBondContact O-N 3.21Å; V386-L390 VanDerWaalsContact O-N 3.09Å; A387-L390 PolarHBondContact O-N 3.31Å; A387-L390 VanDerWaalsContact O-N 3.13Å; I388-L390 PolarHBondContact O-N 3.09Å; L390-L394 WeakPolarHBondContact O-CB 3.43Å |
| 391 | F | 95.9 | Very high | 93.6 | Very high | 30 Ų | 30 | 56.9 Ų | 56.9 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76.2 | -35.4 | -173.7 | -72.3 | -64.5 | 0 | 0 | 0 | 113.2 | A387 L394 L395 M422 V440 | A387-F391 HydrophobicContact CB-CD2 4.25Å; A387-F391 HydrophobicContact CB-CE2 4.33Å; A387-F391 VanDerWaalsContact O-CD2 3.23Å; A387-F391 WeakPolarHBondContact O-CD2 3.45Å; A387-F391 PolarHBondContact O-N 3.37Å; F391-L394 PolarHBondContact O-N 3.31Å; F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 PolarHBondContact O-N 3.31Å; F391-M422 HydrophobicContact CD2-SD 4.41Å; F391-V440 HydrophobicContact CD1-CG1 4.24Å |
| 392 | A | 96 | Very high | 93 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.3 | -47.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I388 L394 L395 Y396 C414 Y415 A418 | I388-A392 VanDerWaalsContact O-CB 3.22Å; I388-A392 WeakPolarHBondContact O-CB 3.5Å; I388-A392 PolarHBondContact O-N 3.14Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.96Å; A392-L395 PolarHBondContact O-N 2.98Å; A392-Y396 WeakPolarHBondContact O-CB 3.42Å; A392-Y396 PolarHBondContact O-N 3Å; A392-C414 HydrophobicContact CB-CB 3.82Å; A392-C414 WeakPolarHBondContact CB-O 3.16Å; A392-Y415 HydrophobicContact CB-CD1 3.44Å; A392-Y415 VanDerWaalsContact CB-CD1 3.44Å; A392-Y415 HydrophobicContact CB-CE1 3.86Å; A392-A418 HydrophobicContact CB-CB 4.01Å |
| 393 | P | 95.4 | Very high | 92.1 | Very high | 34 Ų | 34 | 54.9 Ų | 54.9 | 22% | 0.221 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.3 | -35.5 | 175.7 | -18.1 | 31.6 | 0 | 0 | 0 | 112.5 | A389 Y396 V397 I411 | A389-P393 WeakPolarHBondContact O-CD 3.48Å; A389-P393 VanDerWaalsContact O-CG 3.23Å; A389-P393 WeakPolarHBondContact O-CG 3.31Å; P393-Y396 PolarHBondContact O-N 2.88Å; P393-V397 WeakPolarHBondContact O-CG2 3.41Å; P393-V397 PolarHBondContact O-N 2.84Å; P393-I411 HydrophobicContact CB-CD1 4.28Å; P393-I411 HydrophobicContact CB-CG1 4.49Å; P393-I411 HydrophobicContact CB-CG2 4.29Å; P393-I411 HydrophobicContact CG-CG2 3.82Å |
| 394 | L | 94.5 | Very high | 91.2 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 45% | 0.445 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 177.7 | 180 | 62 | 0 | 0 | 0 | 111.2 | L390 F391 A392 I398 V440 | L390-L394 WeakPolarHBondContact O-CB 3.43Å; F391-L394 PolarHBondContact O-N 3.31Å; A392-L394 VanDerWaalsContact C-N 3.32Å; A392-L394 PolarHBondContact O-N 2.96Å; L394-I398 HydrophobicContact CD1-CD1 4.06Å; L394-I398 HydrophobicContact CG-CD1 4.1Å; L394-I398 WeakPolarHBondContact O-CD1 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.36Å; L394-I398 PolarHBondContact O-N 3.18Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.95Å; L394-V440 HydrophobicContact CG-CG1 4.31Å; L394-V440 HydrophobicContact CG-CG2 4.18Å |
| 395 | L | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 177.2 | -168.4 | 75 | 0 | 0 | 0 | 111.7 | F391 A392 V397 I398 E399 F408 W417 P432 G437 V440 | F391-L395 WeakPolarHBondContact O-CB 3.41Å; F391-L395 PolarHBondContact O-N 3.31Å; A392-L395 PolarHBondContact O-N 2.98Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 3.42Å; L395-I398 PolarHBondContact O-N 3.49Å; L395-E399 HydrophobicContact CD1-CG 4.15Å; L395-E399 HydrophobicContact CG-CG 4.05Å; L395-E399 WeakPolarHBondContact O-CB 3.47Å; L395-E399 PolarHBondContact O-N 3.23Å; L395-F408 HydrophobicContact CD2-CD1 4.18Å; L395-F408 HydrophobicContact CD2-CE1 3.41Å; L395-F408 VanDerWaalsContact CD2-CE1 3.41Å; L395-F408 HydrophobicContact CD2-CZ 3.8Å; L395-F408 HydrophobicContact CG-CE1 4.32Å; L395-W417 HydrophobicContact CB-CZ3 4.19Å; L395-W417 HydrophobicContact CD2-CD2 3.52Å; L395-W417 HydrophobicContact CD2-CE3 3.46Å; L395-W417 VanDerWaalsContact CD2-CE3 3.46Å; L395-W417 HydrophobicContact CD2-CG 4.38Å; L395-W417 HydrophobicContact CD2-CH2 3.55Å; L395-W417 HydrophobicContact CD2-CZ2 3.57Å; L395-W417 HydrophobicContact CD2-CZ3 3.47Å; L395-W417 VanDerWaalsContact CD2-CZ3 3.47Å; L395-W417 HydrophobicContact CG-CH2 4.45Å; L395-W417 HydrophobicContact CG-CZ3 4.37Å; L395-P432 HydrophobicContact CD1-CB 3.94Å; L395-P432 HydrophobicContact CD1-CG 4.36Å; L395-P432 HydrophobicContact CD2-CB 4.34Å; L395-P432 HydrophobicContact CD2-CG 4.46Å; L395-G437 WeakPolarHBondContact CD1-O 3.31Å; L395-V440 HydrophobicContact CB-CG1 4.29Å; L395-V440 HydrophobicContact CD1-CB 4.09Å; L395-V440 HydrophobicContact CD1-CG1 4.04Å |
| 396 | Y | 94.6 | Very high | 89.5 | Confident | 59 Ų | 59 | 57.4 Ų | 57.4 | 23% | 0.231 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -53.5 | -50.2 | 176.5 | 172.6 | -101.4 | 0 | 0 | 0 | 111.7 | A392 P393 I398 N400 F408 I411 | A392-Y396 WeakPolarHBondContact O-CB 3.42Å; A392-Y396 PolarHBondContact O-N 3Å; P393-Y396 PolarHBondContact O-N 2.88Å; Y396-I398 PolarHBondContact O-N 3.4Å; Y396-N400 WeakPolarHBondContact O-CB 3.47Å; Y396-N400 PolarHBondContact O-N 3.03Å; Y396-F408 WeakPolarHBondContact CD2-O 3.29Å; Y396-F408 VanDerWaalsContact CE2-O 3.26Å; Y396-F408 WeakPolarHBondContact CE2-O 3.37Å; Y396-I411 HydrophobicContact CD1-CD1 4.5Å; Y396-I411 HydrophobicContact CD1-CG1 3.84Å; Y396-I411 HydrophobicContact CE1-CG1 4.33Å; Y396-I411 HydrophobicContact CG-CG1 4.05Å |
| 397 | V | 93 | Very high | 89 | Confident | 83 Ų | 83 | 56.4 Ų | 56.4 | 50% | 0.503 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -44.3 | -179.5 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | P393 L395 E401 | P393-V397 WeakPolarHBondContact O-CG2 3.41Å; P393-V397 PolarHBondContact O-N 2.84Å; L395-V397 VanDerWaalsContact C-N 3.34Å; L395-V397 PolarHBondContact O-N 3.42Å; V397-E401 HydrophobicContact CG1-CG 4.32Å; V397-E401 VanDerWaalsContact O-CB 3.29Å; V397-E401 WeakPolarHBondContact O-CB 3.42Å; V397-E401 WeakPolarHBondContact O-CG 3.2Å; V397-E401 PolarHBondContact O-N 3.49Å |
| 398 | I | 92.8 | Very high | 88.6 | Confident | 23 Ų | 23 | 56.1 Ų | 56.1 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.1 | -49.2 | -178.5 | -70.4 | 167 | 0 | 0 | 0 | 111.4 | L394 L395 Y396 M402 S434 P436 V440 | L394-I398 HydrophobicContact CD1-CD1 4.06Å; L394-I398 HydrophobicContact CG-CD1 4.1Å; L394-I398 WeakPolarHBondContact O-CD1 3.48Å; L394-I398 WeakPolarHBondContact O-CG1 3.36Å; L394-I398 PolarHBondContact O-N 3.18Å; L395-I398 PolarHBondContact O-N 3.49Å; Y396-I398 PolarHBondContact O-N 3.4Å; I398-M402 HydrophobicContact CG2-SD 3.94Å; I398-M402 VanDerWaalsContact O-CB 3.27Å; I398-M402 WeakPolarHBondContact O-CB 3.45Å; I398-M402 PolarHBondContact O-N 3.2Å; I398-S434 WeakPolarHBondContact CG2-OG 3.2Å; I398-P436 HydrophobicContact CG2-CB 3.94Å; I398-P436 HydrophobicContact CG2-CG 3.74Å; I398-V440 HydrophobicContact CD1-CG2 3.57Å |
| 399 | E | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -73.2 | -28.6 | -176.1 | -72.8 | -65.3 | 136.9 | 0 | 0 | 112.7 | L395 A403 D404 S405 F408 P432 R433 S434 G437 | L395-E399 HydrophobicContact CD1-CG 4.15Å; L395-E399 HydrophobicContact CG-CG 4.05Å; L395-E399 WeakPolarHBondContact O-CB 3.47Å; L395-E399 PolarHBondContact O-N 3.23Å; E399-A403 CarbonylContact O-C 3.59Å; E399-A403 PolarHBondContact O-N 3.03Å; E399-A403 WeakPolarHBondContact OE2-CB 3.46Å; E399-D404 PolarHBondContact O-N 3.44Å; E399-D404 VanDerWaalsContact O-N 3.15Å; E399-S405 PolarHBondContact O-OG 3.42Å; E399-F408 HydrophobicContact CB-CB 4.47Å; E399-F408 HydrophobicContact CB-CD2 3.98Å; E399-F408 HydrophobicContact CB-CE2 4.47Å; E399-F408 HydrophobicContact CB-CG 4.22Å; E399-F408 HydrophobicContact CG-CD2 4.13Å; E399-F408 HydrophobicContact CG-CE2 4.12Å; E399-P432 HydrophobicContact CG-CB 3.99Å; E399-P432 VanDerWaalsContact OE1-CB 3.26Å; E399-P432 WeakPolarHBondContact OE1-CB 3.34Å; E399-R433 PolarHBondContact OE1-N 2.87Å; E399-R433 PolarHBondContact OE2-N 2.99Å; E399-S434 VanDerWaalsContact OE1-CB 3.25Å; E399-S434 WeakPolarHBondContact OE1-CB 3.32Å; E399-S434 PolarHBondContact OE1-N 3.14Å; E399-S434 PolarHBondContact OE1-OG 2.69Å; E399-S434 PolarHBondContact OE2-N 3.24Å; E399-G437 WeakPolarHBondContact OE1-CA 3.37Å |
| 400 | N | 87.8 | Confident | 88.1 | Confident | 64 Ų | 64 | 59.9 Ų | 59.9 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.7 | -38.5 | 175 | -167.4 | 71.6 | 0 | 0 | 0 | 112 | Y396 | Y396-N400 WeakPolarHBondContact O-CB 3.47Å; Y396-N400 PolarHBondContact O-N 3.03Å |
| 401 | E | 84.1 | Confident | 87.9 | Confident | 150 Ų | 150 | 57.3 Ų | 57.3 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -80.1 | -32.1 | -179.8 | -68.9 | -75.8 | 141.5 | 0 | 0 | 113.4 | V397 | V397-E401 HydrophobicContact CG1-CG 4.32Å; V397-E401 VanDerWaalsContact O-CB 3.29Å; V397-E401 WeakPolarHBondContact O-CB 3.42Å; V397-E401 WeakPolarHBondContact O-CG 3.2Å; V397-E401 PolarHBondContact O-N 3.49Å |
| 402 | M | 78.7 | Confident | 87.9 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -111.5 | -25.3 | -167.8 | -60.9 | 172.4 | -176 | 0 | 0 | 114.9 | I398 P436 | I398-M402 HydrophobicContact CG2-SD 3.94Å; I398-M402 VanDerWaalsContact O-CB 3.27Å; I398-M402 WeakPolarHBondContact O-CB 3.45Å; I398-M402 PolarHBondContact O-N 3.2Å; M402-P436 HydrophobicContact SD-CB 4.36Å; M402-P436 HydrophobicContact SD-CG 3.31Å; M402-P436 WeakPolarHBondContact SD-CG 3.4Å |
| 403 | A | 74.1 | Confident | 87.7 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 31% | 0.314 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -120.2 | -7.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E399 S405 | E399-A403 CarbonylContact O-C 3.59Å; E399-A403 PolarHBondContact O-N 3.03Å; E399-A403 WeakPolarHBondContact OE2-CB 3.46Å; A403-S405 PolarHBondContact O-N 3.2Å; A403-S405 VanDerWaalsContact O-N 3.13Å |
| 404 | D | 74.5 | Confident | 87.7 | Confident | 134 Ų | 134 | 59.9 Ų | 59.9 | 72% | 0.717 | 34% | 0.337 | S | S | * | . | trans | 42 | 47 | -175.8 | -158.4 | 15.2 | 0 | 0 | 0 | 111.6 | E399 | E399-D404 PolarHBondContact O-N 3.44Å; E399-D404 VanDerWaalsContact O-N 3.15Å | ||
| 405 | S | 75 | Confident | 87.7 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 6% | 0.056 | 33% | 0.332 | C | S | . | . | trans | -81.4 | 123.6 | -169 | 59.3 | 0 | 0 | 0 | 0 | 110.7 | E399 A403 E407 F408 | E399-S405 PolarHBondContact O-OG 3.42Å; A403-S405 PolarHBondContact O-N 3.2Å; A403-S405 VanDerWaalsContact O-N 3.13Å; S405-E407 PolarHBondContact O-N 2.79Å; S405-F408 PolarHBondContact O-N 3.14Å; S405-F408 VanDerWaalsContact OG-CD2 3.28Å; S405-F408 WeakPolarHBondContact OG-CD2 3.48Å | ||
| 406 | P | 78.6 | Confident | 87.8 | Confident | 106 Ų | 106 | 65.8 Ų | 65.8 | 69% | 0.688 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -11.8 | -177.6 | 29.9 | -35.9 | 0 | 0 | 0 | 113.1 | T409 | P406-T409 VanDerWaalsContact O-CG2 3.29Å; P406-T409 WeakPolarHBondContact O-CG2 3.33Å |
| 407 | E | 84.1 | Confident | 87.8 | Confident | 56 Ų | 56 | 63.3 Ų | 63.3 | 26% | 0.262 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -35.9 | -179.1 | -65.7 | 169.2 | -154.6 | 0 | 0 | 111.3 | S405 T409 M430 V431 R433 | S405-E407 PolarHBondContact O-N 2.79Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.17Å; E407-M430 VanDerWaalsContact O-CE 3.29Å; E407-M430 WeakPolarHBondContact O-CE 3.32Å; E407-V431 PolarHBondContact OE2-N 3.34Å; E407-R433 IonicContact OE1-CZ 3.69Å; E407-R433 IonicContact OE1-NE 3.89Å; E407-R433 IonicContact OE1-NH2 2.78Å; E407-R433 PolarHBondContact OE1-NH2 3.17Å |
| 408 | F | 86.9 | Confident | 88 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | trans | -93.1 | 63.6 | -176 | -65.1 | -85.9 | 0 | 0 | 0 | 111.9 | L395 Y396 E399 S405 S410 W417 M430 P432 | L395-F408 HydrophobicContact CD2-CD1 4.18Å; L395-F408 HydrophobicContact CD2-CE1 3.41Å; L395-F408 VanDerWaalsContact CD2-CE1 3.41Å; L395-F408 HydrophobicContact CD2-CZ 3.8Å; L395-F408 HydrophobicContact CG-CE1 4.32Å; Y396-F408 WeakPolarHBondContact CD2-O 3.29Å; Y396-F408 VanDerWaalsContact CE2-O 3.26Å; Y396-F408 WeakPolarHBondContact CE2-O 3.37Å; E399-F408 HydrophobicContact CB-CB 4.47Å; E399-F408 HydrophobicContact CB-CD2 3.98Å; E399-F408 HydrophobicContact CB-CE2 4.47Å; E399-F408 HydrophobicContact CB-CG 4.22Å; E399-F408 HydrophobicContact CG-CD2 4.13Å; E399-F408 HydrophobicContact CG-CE2 4.12Å; S405-F408 PolarHBondContact O-N 3.14Å; S405-F408 VanDerWaalsContact OG-CD2 3.28Å; S405-F408 WeakPolarHBondContact OG-CD2 3.48Å; F408-S410 PolarHBondContact O-N 3Å; F408-W417 HydrophobicContact CE1-CB 4.35Å; F408-W417 HydrophobicContact CE1-CD2 4.34Å; F408-W417 HydrophobicContact CE1-CG 4Å; F408-M430 HydrophobicContact CD1-CE 3.54Å; F408-M430 HydrophobicContact CE1-CB 4.41Å; F408-M430 HydrophobicContact CE1-CE 3.74Å; F408-M430 HydrophobicContact CG-CE 4.11Å; F408-M430 HydrophobicContact CZ-CB 4.28Å; F408-M430 HydrophobicContact CZ-CE 4.48Å; F408-P432 HydrophobicContact CZ-CB 4.45Å | ||
| 409 | T | 88.5 | Confident | 88.1 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | trans | -68.6 | -30.7 | -171.5 | 55.8 | 0 | 0 | 0 | 0 | 115.7 | P406 E407 | P406-T409 VanDerWaalsContact O-CG2 3.29Å; P406-T409 WeakPolarHBondContact O-CG2 3.33Å; E407-T409 PolarHBondContact O-N 3.44Å; E407-T409 VanDerWaalsContact O-N 3.17Å | ||
| 410 | S | 92.4 | Very high | 88.3 | Confident | 46 Ų | 46 | 61.1 Ų | 61.1 | 32% | 0.322 | 33% | 0.331 | S | S | . | . | trans | -160.3 | 158.7 | -175.8 | 65.2 | 0 | 0 | 0 | 0 | 111.8 | F408 A413 C414 | F408-S410 PolarHBondContact O-N 3Å; S410-A413 WeakPolarHBondContact O-CB 3.49Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A413 VanDerWaalsContact O-N 3.1Å; S410-A413 WeakPolarHBondContact OG-CB 3.37Å; S410-A413 PolarHBondContact OG-N 3.38Å; S410-C414 PolarHBondContact O-N 3.19Å; S410-C414 PolarHBondContact O-SG 3.38Å | ||
| 411 | I | 94 | Very high | 88.7 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 32% | 0.318 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 177.2 | -61 | 171.7 | 0 | 0 | 0 | 112.2 | P393 Y396 A413 C414 Y415 | P393-I411 HydrophobicContact CB-CD1 4.28Å; P393-I411 HydrophobicContact CB-CG1 4.49Å; P393-I411 HydrophobicContact CB-CG2 4.29Å; P393-I411 HydrophobicContact CG-CG2 3.82Å; Y396-I411 HydrophobicContact CD1-CD1 4.5Å; Y396-I411 HydrophobicContact CD1-CG1 3.84Å; Y396-I411 HydrophobicContact CE1-CG1 4.33Å; Y396-I411 HydrophobicContact CG-CG1 4.05Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å; I411-C414 CarbonylContact O-C 3.58Å; I411-C414 WeakPolarHBondContact O-CA 3.23Å; I411-C414 WeakPolarHBondContact O-CB 3.34Å; I411-C414 PolarHBondContact O-N 3.06Å; I411-Y415 HydrophobicContact CG2-CE1 3.91Å; I411-Y415 PolarHBondContact O-N 3.29Å |
| 412 | P | 94.7 | Very high | 89.2 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 58% | 0.578 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.4 | -34.2 | 175.6 | -24.9 | 36.5 | 0 | 0 | 0 | 114 | C414 Y415 | P412-C414 VanDerWaalsContact C-N 3.3Å; P412-Y415 HydrophobicContact CB-CD2 4.42Å; P412-Y415 WeakPolarHBondContact O-CB 3.39Å; P412-Y415 PolarHBondContact O-N 2.94Å |
| 413 | A | 92.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 24% | 0.24 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S410 I411 Y415 W416 | S410-A413 WeakPolarHBondContact O-CB 3.49Å; S410-A413 PolarHBondContact O-N 2.98Å; S410-A413 VanDerWaalsContact O-N 3.1Å; S410-A413 WeakPolarHBondContact OG-CB 3.37Å; S410-A413 PolarHBondContact OG-N 3.38Å; I411-A413 VanDerWaalsContact C-N 3.31Å; I411-A413 PolarHBondContact O-N 2.85Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.43Å; A413-W416 WeakPolarHBondContact O-CB 3.29Å; A413-W416 PolarHBondContact O-N 3.33Å |
| 414 | C | 94.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.5 | -22.1 | 174.9 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | A392 S410 I411 P412 W416 W417 A418 | A392-C414 HydrophobicContact CB-CB 3.82Å; A392-C414 WeakPolarHBondContact CB-O 3.16Å; S410-C414 PolarHBondContact O-N 3.19Å; S410-C414 PolarHBondContact O-SG 3.38Å; I411-C414 CarbonylContact O-C 3.58Å; I411-C414 WeakPolarHBondContact O-CA 3.23Å; I411-C414 WeakPolarHBondContact O-CB 3.34Å; I411-C414 PolarHBondContact O-N 3.06Å; P412-C414 VanDerWaalsContact C-N 3.3Å; C414-W416 VanDerWaalsContact C-N 3.29Å; C414-W416 PolarHBondContact O-N 2.82Å; C414-W417 PolarHBondContact O-N 3.4Å; C414-A418 WeakPolarHBondContact O-CB 3.39Å; C414-A418 PolarHBondContact O-N 3.22Å |
| 415 | Y | 96.2 | Very high | 91.9 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 36% | 0.357 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 170.9 | -65.3 | -29 | 0 | 0 | 0 | 111.9 | I388 A392 I411 P412 A413 A418 V419 | I388-Y415 HydrophobicContact CG2-CD1 3.39Å; I388-Y415 HydrophobicContact CG2-CE1 4.11Å; I388-Y415 HydrophobicContact CG2-CG 3.91Å; A392-Y415 HydrophobicContact CB-CD1 3.44Å; A392-Y415 VanDerWaalsContact CB-CD1 3.44Å; A392-Y415 HydrophobicContact CB-CE1 3.86Å; I411-Y415 HydrophobicContact CG2-CE1 3.91Å; I411-Y415 PolarHBondContact O-N 3.29Å; P412-Y415 HydrophobicContact CB-CD2 4.42Å; P412-Y415 WeakPolarHBondContact O-CB 3.39Å; P412-Y415 PolarHBondContact O-N 2.94Å; A413-Y415 VanDerWaalsContact C-N 3.26Å; A413-Y415 PolarHBondContact O-N 3.43Å; Y415-A418 PolarHBondContact O-N 3.16Å; Y415-V419 WeakPolarHBondContact O-CB 3.4Å; Y415-V419 VanDerWaalsContact O-CG2 3.22Å; Y415-V419 WeakPolarHBondContact O-CG2 3.27Å; Y415-V419 PolarHBondContact O-N 3.49Å |
| 416 | W | 95.8 | Very high | 92.8 | Very high | 117 Ų | 117 | 49.8 Ų | 49.8 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.1 | -50.6 | 173.6 | 169.5 | -109.8 | 0 | 0 | 0 | 110.7 | A413 C414 A418 V419 I420 Y427 D429 | A413-W416 WeakPolarHBondContact O-CB 3.29Å; A413-W416 PolarHBondContact O-N 3.33Å; C414-W416 VanDerWaalsContact C-N 3.29Å; C414-W416 PolarHBondContact O-N 2.82Å; W416-A418 VanDerWaalsContact C-N 3.34Å; W416-A418 PolarHBondContact O-N 3.49Å; W416-V419 PolarHBondContact O-N 3.45Å; W416-I420 HydrophobicContact CD2-CG2 4.06Å; W416-I420 HydrophobicContact CE3-CG2 4.1Å; W416-I420 HydrophobicContact CH2-CG2 3.91Å; W416-I420 HydrophobicContact CZ2-CG2 3.83Å; W416-I420 HydrophobicContact CZ3-CG2 4.03Å; W416-I420 WeakPolarHBondContact O-CG1 3.08Å; W416-I420 PolarHBondContact O-N 3.07Å; W416-Y427 HydrophobicContact CH2-CD2 4.19Å; W416-Y427 AromaticContact CH2-CE2 3.72Å; W416-Y427 HydrophobicContact CH2-CE2 3.72Å; W416-Y427 AromaticContact CZ2-CD2 3.65Å; W416-Y427 HydrophobicContact CZ2-CD2 3.65Å; W416-Y427 AromaticContact CZ2-CE2 3.67Å; W416-Y427 HydrophobicContact CZ2-CE2 3.67Å; W416-D429 PolarHBondContact NE1-OD2 3.2Å |
| 417 | W | 95.6 | Very high | 93.6 | Very high | 7 Ų | 7 | 52.1 Ų | 52.1 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 174.4 | 172.8 | 83 | 0 | 0 | 0 | 112.5 | L395 F408 C414 I420 T421 M430 P432 A441 S444 | L395-W417 HydrophobicContact CB-CZ3 4.19Å; L395-W417 HydrophobicContact CD2-CD2 3.52Å; L395-W417 HydrophobicContact CD2-CE3 3.46Å; L395-W417 VanDerWaalsContact CD2-CE3 3.46Å; L395-W417 HydrophobicContact CD2-CG 4.38Å; L395-W417 HydrophobicContact CD2-CH2 3.55Å; L395-W417 HydrophobicContact CD2-CZ2 3.57Å; L395-W417 HydrophobicContact CD2-CZ3 3.47Å; L395-W417 VanDerWaalsContact CD2-CZ3 3.47Å; L395-W417 HydrophobicContact CG-CH2 4.45Å; L395-W417 HydrophobicContact CG-CZ3 4.37Å; F408-W417 HydrophobicContact CE1-CB 4.35Å; F408-W417 HydrophobicContact CE1-CD2 4.34Å; F408-W417 HydrophobicContact CE1-CG 4Å; C414-W417 PolarHBondContact O-N 3.4Å; W417-I420 VanDerWaalsContact O-CG1 3.27Å; W417-I420 WeakPolarHBondContact O-CG1 3.46Å; W417-I420 PolarHBondContact O-N 3.19Å; W417-T421 HydrophobicContact CH2-CG2 4.37Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 PolarHBondContact NE1-OG1 2.85Å; W417-T421 WeakPolarHBondContact O-CB 3.44Å; W417-T421 PolarHBondContact O-N 3.41Å; W417-T421 PolarHBondContact O-OG1 2.89Å; W417-M430 HydrophobicContact CB-CB 4.32Å; W417-M430 HydrophobicContact CB-CE 4.24Å; W417-M430 HydrophobicContact CB-SD 4.22Å; W417-M430 HydrophobicContact CG-CB 4.48Å; W417-P432 HydrophobicContact CZ2-CG 4.49Å; W417-A441 HydrophobicContact CH2-CB 4.31Å; W417-A441 HydrophobicContact CZ2-CB 3.86Å; W417-S444 WeakPolarHBondContact CH2-OG 3.29Å |
| 418 | A | 95.7 | Very high | 94 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.2 | -42.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | I388 A392 C414 Y415 W416 T421 M422 | I388-A418 HydrophobicContact CB-CB 4.39Å; I388-A418 HydrophobicContact CG1-CB 4.17Å; I388-A418 HydrophobicContact CG2-CB 4.09Å; A392-A418 HydrophobicContact CB-CB 4.01Å; C414-A418 WeakPolarHBondContact O-CB 3.39Å; C414-A418 PolarHBondContact O-N 3.22Å; Y415-A418 PolarHBondContact O-N 3.16Å; W416-A418 VanDerWaalsContact C-N 3.34Å; W416-A418 PolarHBondContact O-N 3.49Å; A418-T421 PolarHBondContact O-N 3.18Å; A418-M422 WeakPolarHBondContact O-CB 3.38Å; A418-M422 WeakPolarHBondContact O-CG 3.09Å; A418-M422 PolarHBondContact O-N 3.15Å |
| 419 | V | 95.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 55.7 Ų | 55.7 | 33% | 0.327 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.5 | -53 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | I388 Y415 W416 T421 T423 | I388-V419 HydrophobicContact CD1-CB 4.47Å; I388-V419 HydrophobicContact CD1-CG2 3.41Å; I388-V419 VanDerWaalsContact CD1-CG2 3.41Å; I388-V419 HydrophobicContact CG1-CG2 4.19Å; Y415-V419 WeakPolarHBondContact O-CB 3.4Å; Y415-V419 VanDerWaalsContact O-CG2 3.22Å; Y415-V419 WeakPolarHBondContact O-CG2 3.27Å; Y415-V419 PolarHBondContact O-N 3.49Å; W416-V419 PolarHBondContact O-N 3.45Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 2.92Å; V419-T423 WeakPolarHBondContact O-CB 3.33Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.93Å; V419-T423 PolarHBondContact O-OG1 3.32Å |
| 420 | I | 95.6 | Very high | 94.4 | Very high | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.8 | -30.2 | -175.8 | 66.7 | 179.6 | 0 | 0 | 0 | 112.2 | W416 W417 T423 T424 V425 G426 Y427 D429 | W416-I420 HydrophobicContact CD2-CG2 4.06Å; W416-I420 HydrophobicContact CE3-CG2 4.1Å; W416-I420 HydrophobicContact CH2-CG2 3.91Å; W416-I420 HydrophobicContact CZ2-CG2 3.83Å; W416-I420 HydrophobicContact CZ3-CG2 4.03Å; W416-I420 WeakPolarHBondContact O-CG1 3.08Å; W416-I420 PolarHBondContact O-N 3.07Å; W417-I420 VanDerWaalsContact O-CG1 3.27Å; W417-I420 WeakPolarHBondContact O-CG1 3.46Å; W417-I420 PolarHBondContact O-N 3.19Å; I420-T423 PolarHBondContact O-OG1 3.49Å; I420-T424 PolarHBondContact O-N 3.48Å; I420-V425 HydrophobicContact CB-CB 4.36Å; I420-V425 PolarHBondContact O-N 3.46Å; I420-G426 PolarHBondContact O-N 2.84Å; I420-G426 VanDerWaalsContact O-N 3.09Å; I420-Y427 HydrophobicContact CB-CD2 4.36Å; I420-Y427 HydrophobicContact CD1-CD2 4.2Å; I420-Y427 HydrophobicContact CG2-CD2 3.89Å; I420-Y427 HydrophobicContact CG2-CE2 3.94Å; I420-D429 WeakPolarHBondContact CD1-OD1 3.34Å |
| 421 | T | 95.4 | Very high | 94.4 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 10% | 0.104 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.8 | -47.7 | 179.1 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | W417 A418 V419 T423 T424 I445 | W417-T421 HydrophobicContact CH2-CG2 4.37Å; W417-T421 HydrophobicContact CZ2-CG2 3.97Å; W417-T421 PolarHBondContact NE1-OG1 2.85Å; W417-T421 WeakPolarHBondContact O-CB 3.44Å; W417-T421 PolarHBondContact O-N 3.41Å; W417-T421 PolarHBondContact O-OG1 2.89Å; A418-T421 PolarHBondContact O-N 3.18Å; V419-T421 VanDerWaalsContact C-N 3.3Å; V419-T421 PolarHBondContact O-N 2.92Å; T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.33Å; T421-T424 PolarHBondContact O-N 3.21Å; T421-I445 HydrophobicContact CG2-CD1 4.09Å; T421-I445 HydrophobicContact CG2-CG1 3.39Å |
| 422 | M | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -31.6 | 178.9 | -72.4 | -171.6 | 74.9 | 0 | 0 | 113 | L384 A387 I388 F391 A418 T424 G448 L451 | L384-M422 HydrophobicContact CD1-CB 4.17Å; L384-M422 HydrophobicContact CD1-CE 4.06Å; L384-M422 HydrophobicContact CD1-SD 4.22Å; A387-M422 HydrophobicContact CB-CE 3.22Å; A387-M422 HydrophobicContact CB-SD 3.75Å; I388-M422 HydrophobicContact CG1-SD 3.95Å; F391-M422 HydrophobicContact CD2-SD 4.41Å; A418-M422 WeakPolarHBondContact O-CB 3.38Å; A418-M422 WeakPolarHBondContact O-CG 3.09Å; A418-M422 PolarHBondContact O-N 3.15Å; M422-T424 PolarHBondContact O-N 3.04Å; M422-G448 WeakPolarHBondContact O-CA 3.38Å; M422-L451 HydrophobicContact CE-CD1 3.81Å |
| 423 | T | 94 | Very high | 94.1 | Very high | 43 Ų | 43 | 54.3 Ų | 54.3 | 26% | 0.264 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 4 | 174 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | V419 I420 T421 V425 | V419-T423 WeakPolarHBondContact O-CB 3.33Å; V419-T423 VanDerWaalsContact O-CG2 3.32Å; V419-T423 WeakPolarHBondContact O-CG2 3.47Å; V419-T423 PolarHBondContact O-N 2.93Å; V419-T423 PolarHBondContact O-OG1 3.32Å; I420-T423 PolarHBondContact O-OG1 3.49Å; T421-T423 VanDerWaalsContact C-N 3.3Å; T421-T423 PolarHBondContact O-N 3.33Å; T423-V425 PolarHBondContact O-N 3.47Å |
| 424 | T | 94.3 | Very high | 94.1 | Very high | 97 Ų | 97 | 53.5 Ų | 53.5 | 60% | 0.595 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 21 | 178.3 | 67.5 | 0 | 0 | 0 | 0 | 115 | I420 T421 M422 I449 | I420-T424 PolarHBondContact O-N 3.48Å; T421-T424 PolarHBondContact O-N 3.21Å; M422-T424 PolarHBondContact O-N 3.04Å; T424-I449 HydrophobicContact CG2-CD1 4.45Å; T424-I449 HydrophobicContact CG2-CG1 3.88Å |
| 425 | V | 96.1 | Very high | 94 | Very high | 76 Ų | 76 | 58.7 Ų | 58.7 | 46% | 0.461 | 32% | 0.318 | S | S | . | . | trans | -76 | -52.8 | 176.4 | 176.8 | 0 | 0 | 0 | 0 | 111 | I420 T423 Y427 | I420-V425 HydrophobicContact CB-CB 4.36Å; I420-V425 PolarHBondContact O-N 3.46Å; T423-V425 PolarHBondContact O-N 3.47Å; V425-Y427 HydrophobicContact CG1-CD1 4.15Å; V425-Y427 HydrophobicContact CG1-CD2 4.03Å; V425-Y427 HydrophobicContact CG1-CE1 3.78Å; V425-Y427 HydrophobicContact CG1-CE2 3.64Å; V425-Y427 HydrophobicContact CG1-CG 4.26Å | ||
| 426 | G | 94.3 | Very high | 93.9 | Very high | 48 Ų | 48 | 56.5 Ų | 56.5 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | trans | 53.7 | 63.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | I420 G428 | I420-G426 PolarHBondContact O-N 2.84Å; I420-G426 VanDerWaalsContact O-N 3.09Å; G426-G428 PolarHBondContact O-N 3.28Å; G426-G428 VanDerWaalsContact O-N 3.14Å | ||
| 427 | Y | 94.6 | Very high | 93.7 | Very high | 156 Ų | 156 | 50.9 Ų | 50.9 | 61% | 0.612 | 29% | 0.293 | S | S | * | . | trans | -58.9 | -25.3 | 177.9 | -67.4 | -63.8 | 0 | 0 | 0 | 114.1 | W416 I420 V425 | W416-Y427 HydrophobicContact CH2-CD2 4.19Å; W416-Y427 AromaticContact CH2-CE2 3.72Å; W416-Y427 HydrophobicContact CH2-CE2 3.72Å; W416-Y427 AromaticContact CZ2-CD2 3.65Å; W416-Y427 HydrophobicContact CZ2-CD2 3.65Å; W416-Y427 AromaticContact CZ2-CE2 3.67Å; W416-Y427 HydrophobicContact CZ2-CE2 3.67Å; I420-Y427 HydrophobicContact CB-CD2 4.36Å; I420-Y427 HydrophobicContact CD1-CD2 4.2Å; I420-Y427 HydrophobicContact CG2-CD2 3.89Å; I420-Y427 HydrophobicContact CG2-CE2 3.94Å; V425-Y427 HydrophobicContact CG1-CD1 4.15Å; V425-Y427 HydrophobicContact CG1-CD2 4.03Å; V425-Y427 HydrophobicContact CG1-CE1 3.78Å; V425-Y427 HydrophobicContact CG1-CE2 3.64Å; V425-Y427 HydrophobicContact CG1-CG 4.26Å | ||
| 428 | G | 92.7 | Very high | 93.7 | Very high | 53 Ų | 53 | 55.6 Ų | 55.6 | 55% | 0.546 | 32% | 0.315 | S | S | . | . | S | Bend | trans | 81.6 | 13.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | G426 | G426-G428 PolarHBondContact O-N 3.28Å; G426-G428 VanDerWaalsContact O-N 3.14Å |
| 429 | D | 91.9 | Very high | 93.7 | Very high | 78 Ų | 78 | 60.2 Ų | 60.2 | 42% | 0.417 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -76 | -24 | 175.7 | 59.5 | -38.3 | 0 | 0 | 0 | 113.4 | W416 I420 | W416-D429 PolarHBondContact NE1-OD2 3.2Å; I420-D429 WeakPolarHBondContact CD1-OD1 3.34Å |
| 430 | M | 91.6 | Very high | 93.7 | Very high | 21 Ų | 21 | 58.4 Ų | 58.4 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -134.3 | 120.8 | 172.4 | -61.6 | 179.3 | 63.7 | 0 | 0 | 109.2 | E407 F408 W417 | E407-M430 VanDerWaalsContact O-CE 3.29Å; E407-M430 WeakPolarHBondContact O-CE 3.32Å; F408-M430 HydrophobicContact CD1-CE 3.54Å; F408-M430 HydrophobicContact CE1-CB 4.41Å; F408-M430 HydrophobicContact CE1-CE 3.74Å; F408-M430 HydrophobicContact CG-CE 4.11Å; F408-M430 HydrophobicContact CZ-CB 4.28Å; F408-M430 HydrophobicContact CZ-CE 4.48Å; W417-M430 HydrophobicContact CB-CB 4.32Å; W417-M430 HydrophobicContact CB-CE 4.24Å; W417-M430 HydrophobicContact CB-SD 4.22Å; W417-M430 HydrophobicContact CG-CB 4.48Å |
| 431 | V | 92.8 | Very high | 93.6 | Very high | 74 Ų | 74 | 58.7 Ų | 58.7 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | trans | -137 | 126.3 | -177.5 | -175.4 | 0 | 0 | 0 | 0 | 110.9 | E407 R433 | E407-V431 PolarHBondContact OE2-N 3.34Å; V431-R433 PolarHBondContact O-N 3.3Å | ||
| 432 | P | 92.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 63.7 Ų | 63.7 | 7% | 0.071 | 36% | 0.361 | C | S | . | . | trans | -67.8 | 132.8 | 178.9 | 25.5 | -29.9 | 0 | 0 | 0 | 111.2 | L395 E399 F408 W417 A441 | L395-P432 HydrophobicContact CD1-CB 3.94Å; L395-P432 HydrophobicContact CD1-CG 4.36Å; L395-P432 HydrophobicContact CD2-CB 4.34Å; L395-P432 HydrophobicContact CD2-CG 4.46Å; E399-P432 HydrophobicContact CG-CB 3.99Å; E399-P432 VanDerWaalsContact OE1-CB 3.26Å; E399-P432 WeakPolarHBondContact OE1-CB 3.34Å; F408-P432 HydrophobicContact CZ-CB 4.45Å; W417-P432 HydrophobicContact CZ2-CG 4.49Å; P432-A441 HydrophobicContact CG-CB 3.77Å | ||
| 433 | R | 89.7 | Confident | 93.7 | Very high | 162 Ų | 162 | 66.5 Ų | 66.5 | 61% | 0.611 | 38% | 0.381 | S | S | * | . | trans | -103.1 | -23.7 | -175.6 | -60.2 | -169.4 | -174.2 | -173.5 | 4.2 | 112.2 | E399 E407 V431 | E399-R433 PolarHBondContact OE1-N 2.87Å; E399-R433 PolarHBondContact OE2-N 2.99Å; E407-R433 IonicContact OE1-CZ 3.69Å; E407-R433 IonicContact OE1-NE 3.89Å; E407-R433 IonicContact OE1-NH2 2.78Å; E407-R433 PolarHBondContact OE1-NH2 3.17Å; V431-R433 PolarHBondContact O-N 3.3Å | ||
| 434 | S | 92.2 | Very high | 93.8 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 8% | 0.084 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -73.7 | 147.1 | 177.6 | 76.4 | 0 | 0 | 0 | 0 | 111.2 | I398 E399 G437 Q438 | I398-S434 WeakPolarHBondContact CG2-OG 3.2Å; E399-S434 VanDerWaalsContact OE1-CB 3.25Å; E399-S434 WeakPolarHBondContact OE1-CB 3.32Å; E399-S434 PolarHBondContact OE1-N 3.14Å; E399-S434 PolarHBondContact OE1-OG 2.69Å; E399-S434 PolarHBondContact OE2-N 3.24Å; S434-G437 PolarHBondContact O-N 3.11Å; S434-G437 WeakPolarHBondContact OG-CA 3.32Å; S434-G437 PolarHBondContact OG-N 3.24Å; S434-Q438 WeakPolarHBondContact O-CG 3.35Å; S434-Q438 PolarHBondContact O-N 3.23Å |
| 435 | T | 92.8 | Very high | 93.9 | Very high | 109 Ų | 109 | 63 Ų | 63 | 67% | 0.669 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.8 | -43.8 | 173.9 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | Q438 V439 | T435-Q438 PolarHBondContact O-N 2.91Å; T435-V439 PolarHBondContact O-N 2.9Å |
| 436 | P | 93.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 64.6 Ų | 64.6 | 29% | 0.286 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67 | -33.9 | 173.3 | 22.6 | -31.7 | 0 | 0 | 0 | 113.2 | I398 M402 Q438 V439 V440 | I398-P436 HydrophobicContact CG2-CB 3.94Å; I398-P436 HydrophobicContact CG2-CG 3.74Å; M402-P436 HydrophobicContact SD-CB 4.36Å; M402-P436 HydrophobicContact SD-CG 3.31Å; M402-P436 WeakPolarHBondContact SD-CG 3.4Å; P436-Q438 VanDerWaalsContact C-N 3.33Å; P436-Q438 PolarHBondContact O-N 2.94Å; P436-V439 WeakPolarHBondContact O-CB 3.45Å; P436-V439 PolarHBondContact O-N 2.86Å; P436-V440 PolarHBondContact O-N 3.5Å |
| 437 | G | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -38 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L395 E399 S434 V439 V440 A441 | L395-G437 WeakPolarHBondContact CD1-O 3.31Å; E399-G437 WeakPolarHBondContact OE1-CA 3.37Å; S434-G437 PolarHBondContact O-N 3.11Å; S434-G437 WeakPolarHBondContact OG-CA 3.32Å; S434-G437 PolarHBondContact OG-N 3.24Å; G437-V439 VanDerWaalsContact C-N 3.34Å; G437-V439 PolarHBondContact O-N 3.03Å; G437-V440 PolarHBondContact O-N 2.91Å; G437-A441 WeakPolarHBondContact O-CB 3.35Å; G437-A441 PolarHBondContact O-N 3.15Å |
| 438 | Q | 94.6 | Very high | 93.9 | Very high | 105 Ų | 105 | 56.3 Ų | 56.3 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 172 | -71.1 | 172.6 | 2.5 | 0 | 0 | 112.7 | S434 T435 P436 A441 L442 | S434-Q438 WeakPolarHBondContact O-CG 3.35Å; S434-Q438 PolarHBondContact O-N 3.23Å; T435-Q438 PolarHBondContact O-N 2.91Å; P436-Q438 VanDerWaalsContact C-N 3.33Å; P436-Q438 PolarHBondContact O-N 2.94Å; Q438-A441 WeakPolarHBondContact O-CB 3.36Å; Q438-A441 PolarHBondContact O-N 3.04Å; Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.23Å |
| 439 | V | 95.9 | Very high | 93.9 | Very high | 97 Ų | 97 | 58 Ų | 58 | 59% | 0.588 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.2 | -42.5 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 111 | T435 P436 G437 A441 L442 S443 | T435-V439 PolarHBondContact O-N 2.9Å; P436-V439 WeakPolarHBondContact O-CB 3.45Å; P436-V439 PolarHBondContact O-N 2.86Å; G437-V439 VanDerWaalsContact C-N 3.34Å; G437-V439 PolarHBondContact O-N 3.03Å; V439-A441 VanDerWaalsContact C-N 3.34Å; V439-L442 PolarHBondContact O-N 3.41Å; V439-S443 PolarHBondContact O-N 3.5Å |
| 440 | V | 95.3 | Very high | 93.9 | Very high | 17 Ų | 17 | 59.8 Ų | 59.8 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 174.5 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | F391 L394 L395 I398 P436 G437 S443 S444 | F391-V440 HydrophobicContact CD1-CG1 4.24Å; L394-V440 HydrophobicContact CD2-CG1 4.11Å; L394-V440 HydrophobicContact CD2-CG2 3.95Å; L394-V440 HydrophobicContact CG-CG1 4.31Å; L394-V440 HydrophobicContact CG-CG2 4.18Å; L395-V440 HydrophobicContact CB-CG1 4.29Å; L395-V440 HydrophobicContact CD1-CB 4.09Å; L395-V440 HydrophobicContact CD1-CG1 4.04Å; I398-V440 HydrophobicContact CD1-CG2 3.57Å; P436-V440 PolarHBondContact O-N 3.5Å; G437-V440 PolarHBondContact O-N 2.91Å; V440-S443 PolarHBondContact O-N 3.49Å; V440-S444 WeakPolarHBondContact O-CB 3.32Å; V440-S444 PolarHBondContact O-N 2.98Å |
| 441 | A | 94.6 | Very high | 93.9 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 10% | 0.099 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -48.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W417 P432 G437 Q438 V439 S443 S444 I445 | W417-A441 HydrophobicContact CH2-CB 4.31Å; W417-A441 HydrophobicContact CZ2-CB 3.86Å; P432-A441 HydrophobicContact CG-CB 3.77Å; G437-A441 WeakPolarHBondContact O-CB 3.35Å; G437-A441 PolarHBondContact O-N 3.15Å; Q438-A441 WeakPolarHBondContact O-CB 3.36Å; Q438-A441 PolarHBondContact O-N 3.04Å; V439-A441 VanDerWaalsContact C-N 3.34Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 2.84Å; A441-S444 PolarHBondContact O-N 3.21Å; A441-S444 VanDerWaalsContact O-N 3.15Å; A441-S444 PolarHBondContact O-OG 3.38Å; A441-I445 VanDerWaalsContact O-CG1 3.31Å; A441-I445 WeakPolarHBondContact O-CG1 3.27Å; A441-I445 PolarHBondContact O-N 3.43Å |
| 442 | L | 95.9 | Very high | 93.8 | Very high | 121 Ų | 121 | 60 Ų | 60 | 63% | 0.634 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -57.6 | -44.9 | 176.5 | -177.9 | 67.6 | 0 | 0 | 0 | 111.8 | Q438 V439 I445 L446 | Q438-L442 WeakPolarHBondContact O-CB 3.37Å; Q438-L442 PolarHBondContact O-N 3.23Å; V439-L442 PolarHBondContact O-N 3.41Å; L442-I445 PolarHBondContact O-N 3.43Å; L442-L446 PolarHBondContact O-N 2.93Å; L442-L446 VanDerWaalsContact O-N 3.07Å |
| 443 | S | 95.4 | Very high | 93.6 | Very high | 61 Ų | 61 | 62 Ų | 62 | 43% | 0.427 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | V439 V440 A441 L446 S447 | V439-S443 PolarHBondContact O-N 3.5Å; V440-S443 PolarHBondContact O-N 3.49Å; A441-S443 VanDerWaalsContact C-N 3.32Å; A441-S443 PolarHBondContact O-N 2.84Å; S443-L446 PolarHBondContact O-N 3.24Å; S443-S447 WeakPolarHBondContact O-CB 3.2Å; S443-S447 PolarHBondContact O-N 3.04Å |
| 444 | S | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -39.7 | 178.6 | 79.7 | 0 | 0 | 0 | 0 | 112.7 | W417 V440 A441 S447 G448 | W417-S444 WeakPolarHBondContact CH2-OG 3.29Å; V440-S444 WeakPolarHBondContact O-CB 3.32Å; V440-S444 PolarHBondContact O-N 2.98Å; A441-S444 PolarHBondContact O-N 3.21Å; A441-S444 VanDerWaalsContact O-N 3.15Å; A441-S444 PolarHBondContact O-OG 3.38Å; S444-S447 PolarHBondContact O-N 3.43Å; S444-G448 PolarHBondContact O-N 3.49Å |
| 445 | I | 96.2 | Very high | 93.1 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 34% | 0.338 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.9 | -48.8 | 177.4 | -66.7 | 164.3 | 0 | 0 | 0 | 109.6 | T421 A441 L442 S447 G448 I449 | T421-I445 HydrophobicContact CG2-CD1 4.09Å; T421-I445 HydrophobicContact CG2-CG1 3.39Å; A441-I445 VanDerWaalsContact O-CG1 3.31Å; A441-I445 WeakPolarHBondContact O-CG1 3.27Å; A441-I445 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.43Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.9Å; I445-G448 PolarHBondContact O-N 3.32Å; I445-I449 HydrophobicContact CG2-CD1 3.93Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 3.47Å |
| 446 | L | 95.6 | Very high | 92.9 | Very high | 109 Ų | 109 | 59.2 Ų | 59.2 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.9 | -43.5 | 178.9 | -176.5 | 64.3 | 0 | 0 | 0 | 111.3 | L442 S443 L450 | L442-L446 PolarHBondContact O-N 2.93Å; L442-L446 VanDerWaalsContact O-N 3.07Å; S443-L446 PolarHBondContact O-N 3.24Å; L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.2Å; L446-L450 PolarHBondContact O-N 3.44Å; L446-L450 VanDerWaalsContact O-N 3.17Å |
| 447 | S | 94.1 | Very high | 92.8 | Very high | 31 Ų | 31 | 60.8 Ų | 60.8 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.4 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | S443 S444 I445 I449 L450 L451 | S443-S447 WeakPolarHBondContact O-CB 3.2Å; S443-S447 PolarHBondContact O-N 3.04Å; S444-S447 PolarHBondContact O-N 3.43Å; I445-S447 VanDerWaalsContact C-N 3.32Å; I445-S447 PolarHBondContact O-N 2.9Å; S447-I449 PolarHBondContact O-N 2.63Å; S447-L450 PolarHBondContact O-N 3.49Å; S447-L451 WeakPolarHBondContact O-CB 3.35Å; S447-L451 VanDerWaalsContact O-CG 3.26Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.4Å |
| 448 | G | 94.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M422 S444 I445 L450 L451 M452 | M422-G448 WeakPolarHBondContact O-CA 3.38Å; S444-G448 PolarHBondContact O-N 3.49Å; I445-G448 PolarHBondContact O-N 3.32Å; G448-L450 PolarHBondContact O-N 2.95Å; G448-L451 PolarHBondContact O-N 3.46Å; G448-M452 WeakPolarHBondContact O-CB 3.22Å; G448-M452 WeakPolarHBondContact O-CG 3.48Å; G448-M452 PolarHBondContact O-N 3.24Å |
| 449 | I | 93.9 | Very high | 92.2 | Very high | 87 Ų | 87 | 58.8 Ų | 58.8 | 45% | 0.446 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 177.2 | -66.5 | 167 | 0 | 0 | 0 | 110.9 | T424 I445 S447 M452 A453 | T424-I449 HydrophobicContact CG2-CD1 4.45Å; T424-I449 HydrophobicContact CG2-CG1 3.88Å; I445-I449 HydrophobicContact CG2-CD1 3.93Å; I445-I449 WeakPolarHBondContact O-CG1 3.4Å; I445-I449 PolarHBondContact O-N 3.47Å; S447-I449 PolarHBondContact O-N 2.63Å; I449-M452 PolarHBondContact O-N 3.5Å; I449-A453 WeakPolarHBondContact O-CB 3.26Å; I449-A453 PolarHBondContact O-N 2.96Å |
| 450 | L | 92 | Very high | 91.9 | Very high | 116 Ų | 116 | 60.3 Ų | 60.3 | 61% | 0.607 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.6 | -42.6 | -179.8 | -69.1 | 172.8 | 0 | 0 | 0 | 112.3 | L446 S447 G448 A453 | L446-L450 HydrophobicContact CG-CD1 4.29Å; L446-L450 VanDerWaalsContact O-CG 3.32Å; L446-L450 WeakPolarHBondContact O-CG 3.2Å; L446-L450 PolarHBondContact O-N 3.44Å; L446-L450 VanDerWaalsContact O-N 3.17Å; S447-L450 PolarHBondContact O-N 3.49Å; G448-L450 PolarHBondContact O-N 2.95Å; L450-A453 PolarHBondContact O-N 3.35Å |
| 451 | L | 91.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 179.2 | -73.5 | 177.8 | 0 | 0 | 0 | 112.4 | F383 A387 M422 S447 G448 P455 | F383-L451 HydrophobicContact CB-CD1 4.41Å; F383-L451 HydrophobicContact CB-CD2 3.86Å; F383-L451 HydrophobicContact CD2-CD2 4.41Å; F383-L451 HydrophobicContact CG-CD2 4.29Å; A387-L451 HydrophobicContact CB-CD1 3.8Å; M422-L451 HydrophobicContact CE-CD1 3.81Å; S447-L451 WeakPolarHBondContact O-CB 3.35Å; S447-L451 VanDerWaalsContact O-CG 3.26Å; S447-L451 WeakPolarHBondContact O-CG 3.46Å; S447-L451 PolarHBondContact O-N 3.4Å; G448-L451 PolarHBondContact O-N 3.46Å; L451-P455 WeakPolarHBondContact O-CD 3.42Å |
| 452 | M | 90.1 | Very high | 91.2 | Very high | 57 Ų | 57 | 65.9 Ų | 65.9 | 28% | 0.281 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -76.9 | -32.3 | 179.3 | -65.4 | -70.4 | -75.8 | 0 | 0 | 112.2 | L380 G448 I449 F454 V456 | L380-M452 HydrophobicContact CD1-SD 3.68Å; L380-M452 HydrophobicContact CD2-SD 4.39Å; L380-M452 HydrophobicContact CG-SD 4.42Å; G448-M452 WeakPolarHBondContact O-CB 3.22Å; G448-M452 WeakPolarHBondContact O-CG 3.48Å; G448-M452 PolarHBondContact O-N 3.24Å; I449-M452 PolarHBondContact O-N 3.5Å; M452-F454 PolarHBondContact O-N 2.9Å; M452-V456 VanDerWaalsContact O-CB 3.29Å; M452-V456 WeakPolarHBondContact O-CB 3.24Å; M452-V456 WeakPolarHBondContact O-CG2 3.33Å; M452-V456 PolarHBondContact O-N 2.99Å |
| 453 | A | 90.3 | Very high | 90.9 | Very high | 52 Ų | 52 | 62.9 Ų | 62.9 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I449 L450 T457 | I449-A453 WeakPolarHBondContact O-CB 3.26Å; I449-A453 PolarHBondContact O-N 2.96Å; L450-A453 PolarHBondContact O-N 3.35Å; A453-T457 WeakPolarHBondContact O-CG2 3.38Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 3.41Å |
| 454 | F | 84.4 | Confident | 90.6 | Very high | 141 Ų | 141 | 61.4 Ų | 61.4 | 62% | 0.618 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.2 | -52.2 | -174.9 | 174.5 | -92.2 | 0 | 0 | 0 | 112.9 | M452 V456 T457 S458 | M452-F454 PolarHBondContact O-N 2.9Å; F454-V456 PolarHBondContact O-N 3.14Å; F454-T457 PolarHBondContact O-N 3.05Å; F454-T457 PolarHBondContact O-OG1 3.48Å; F454-S458 PolarHBondContact O-N 3.43Å |
| 455 | P | 86.5 | Confident | 90.1 | Very high | 4 Ų | 4 | 68.9 Ų | 68.9 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.3 | -36.1 | 179 | -25.5 | 39.6 | 0 | 0 | 0 | 112.8 | L380 L451 T457 S458 I459 | L380-P455 HydrophobicContact CB-CB 3.82Å; L380-P455 HydrophobicContact CB-CG 3.83Å; L380-P455 HydrophobicContact CD1-CB 3.99Å; L380-P455 HydrophobicContact CD1-CG 3.67Å; L380-P455 HydrophobicContact CD2-CB 4.19Å; L380-P455 HydrophobicContact CG-CB 4.21Å; L380-P455 HydrophobicContact CG-CG 4.25Å; L451-P455 WeakPolarHBondContact O-CD 3.42Å; P455-T457 VanDerWaalsContact C-N 3.35Å; P455-T457 PolarHBondContact O-N 3.38Å; P455-S458 PolarHBondContact O-N 3.31Å; P455-I459 HydrophobicContact CB-CD1 4.47Å; P455-I459 WeakPolarHBondContact O-CB 3.3Å; P455-I459 WeakPolarHBondContact O-CD1 3.31Å; P455-I459 WeakPolarHBondContact O-CG1 3.36Å; P455-I459 PolarHBondContact O-N 2.96Å |
| 456 | V | 88.8 | Confident | 89.5 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 48% | 0.479 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 177.9 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | M452 F454 I459 F460 | M452-V456 VanDerWaalsContact O-CB 3.29Å; M452-V456 WeakPolarHBondContact O-CB 3.24Å; M452-V456 WeakPolarHBondContact O-CG2 3.33Å; M452-V456 PolarHBondContact O-N 2.99Å; F454-V456 PolarHBondContact O-N 3.14Å; V456-I459 PolarHBondContact O-N 3.09Å; V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.17Å |
| 457 | T | 89.9 | Confident | 89.1 | Confident | 77 Ų | 77 | 64.9 Ų | 64.9 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | A453 F454 P455 F460 H461 | A453-T457 WeakPolarHBondContact O-CG2 3.38Å; A453-T457 PolarHBondContact O-N 2.87Å; A453-T457 PolarHBondContact O-OG1 3.41Å; F454-T457 PolarHBondContact O-N 3.05Å; F454-T457 PolarHBondContact O-OG1 3.48Å; P455-T457 VanDerWaalsContact C-N 3.35Å; P455-T457 PolarHBondContact O-N 3.38Å; T457-F460 PolarHBondContact O-N 3.43Å; T457-H461 PolarHBondContact O-CD2 3.49Å; T457-H461 PolarHBondContact O-N 3.39Å |
| 458 | S | 87.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 24% | 0.238 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.6 | -177 | 0 | 0 | 0 | 0 | 112.8 | F454 P455 F460 H461 T462 | F454-S458 PolarHBondContact O-N 3.43Å; P455-S458 PolarHBondContact O-N 3.31Å; S458-F460 VanDerWaalsContact C-N 3.33Å; S458-F460 PolarHBondContact O-N 3.31Å; S458-H461 PolarHBondContact O-N 3.29Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 3.46Å |
| 459 | I | 89.4 | Confident | 88.1 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 15% | 0.154 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.3 | -67.8 | 159.7 | 0 | 0 | 0 | 110.1 | T369 C373 F377 P455 V456 H461 T462 F463 | T369-I459 HydrophobicContact CG2-CG2 4.39Å; C373-I459 HydrophobicContact CB-CG1 4.16Å; F377-I459 HydrophobicContact CD1-CD1 4.03Å; F377-I459 HydrophobicContact CD2-CD1 4.14Å; F377-I459 HydrophobicContact CD2-CG1 4.36Å; F377-I459 HydrophobicContact CE1-CD1 3.66Å; F377-I459 HydrophobicContact CE2-CD1 3.77Å; F377-I459 HydrophobicContact CE2-CG1 3.93Å; F377-I459 HydrophobicContact CE2-CG2 4.17Å; F377-I459 HydrophobicContact CG-CD1 4.26Å; F377-I459 HydrophobicContact CZ-CD1 3.52Å; F377-I459 HydrophobicContact CZ-CG1 4.11Å; F377-I459 HydrophobicContact CZ-CG2 4.09Å; P455-I459 HydrophobicContact CB-CD1 4.47Å; P455-I459 WeakPolarHBondContact O-CB 3.3Å; P455-I459 WeakPolarHBondContact O-CD1 3.31Å; P455-I459 WeakPolarHBondContact O-CG1 3.36Å; P455-I459 PolarHBondContact O-N 2.96Å; V456-I459 PolarHBondContact O-N 3.09Å; I459-H461 PolarHBondContact O-N 3.07Å; I459-T462 PolarHBondContact O-N 3.23Å; I459-F463 WeakPolarHBondContact O-CB 3.47Å; I459-F463 PolarHBondContact O-N 3Å |
| 460 | F | 89.6 | Confident | 87.5 | Confident | 128 Ų | 128 | 66 Ų | 66 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 177.7 | 176.5 | -99.2 | 0 | 0 | 0 | 112.4 | V456 T457 S458 T462 F463 S464 | V456-F460 WeakPolarHBondContact O-CB 3.45Å; V456-F460 PolarHBondContact O-N 3.17Å; T457-F460 PolarHBondContact O-N 3.43Å; S458-F460 VanDerWaalsContact C-N 3.33Å; S458-F460 PolarHBondContact O-N 3.31Å; F460-T462 PolarHBondContact O-N 3.49Å; F460-F463 WeakPolarHBondContact O-CB 3.47Å; F460-F463 PolarHBondContact O-N 2.75Å; F460-S464 WeakPolarHBondContact O-CB 3.33Å; F460-S464 PolarHBondContact O-N 2.9Å |
| 461 | H | 87.8 | Confident | 87.1 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 51% | 0.505 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.3 | -84.3 | -66.9 | 0 | 0 | 0 | 112.2 | T457 S458 I459 F463 S464 R465 | T457-H461 PolarHBondContact O-CD2 3.49Å; T457-H461 PolarHBondContact O-N 3.39Å; S458-H461 PolarHBondContact O-N 3.29Å; I459-H461 PolarHBondContact O-N 3.07Å; H461-F463 VanDerWaalsContact C-N 3.33Å; H461-F463 PolarHBondContact O-N 3.02Å; H461-S464 PolarHBondContact O-N 2.86Å; H461-R465 PolarHBondContact O-N 3.49Å |
| 462 | T | 87.1 | Confident | 86.7 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 23% | 0.233 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | T369 R372 C373 S458 I459 F460 S466 | T369-T462 HydrophobicContact CG2-CG2 4.21Å; R372-T462 HydrophobicContact CB-CG2 4.03Å; C373-T462 WeakPolarHBondContact SG-CB 3.29Å; C373-T462 WeakPolarHBondContact SG-CG2 3.17Å; C373-T462 PolarHBondContact SG-OG1 3.39Å; S458-T462 PolarHBondContact O-N 2.88Å; S458-T462 PolarHBondContact O-OG1 3.46Å; I459-T462 PolarHBondContact O-N 3.23Å; F460-T462 PolarHBondContact O-N 3.49Å; T462-S466 VanDerWaalsContact O-CB 3.3Å; T462-S466 WeakPolarHBondContact O-CB 3.42Å; T462-S466 PolarHBondContact O-N 3.17Å; T462-S466 PolarHBondContact O-OG 2.89Å |
| 463 | F | 89.1 | Confident | 86 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 25% | 0.25 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.7 | -51.8 | 172.9 | 177 | -100 | 0 | 0 | 0 | 111.3 | T365 L366 T369 I459 F460 H461 R465 S466 Y467 | T365-F463 HydrophobicContact CG2-CD2 3.77Å; T365-F463 HydrophobicContact CG2-CE2 3.56Å; T365-F463 HydrophobicContact CG2-CZ 4.26Å; L366-F463 HydrophobicContact CD2-CD2 3.81Å; L366-F463 HydrophobicContact CD2-CE2 3.61Å; L366-F463 HydrophobicContact CG-CD2 4.43Å; L366-F463 HydrophobicContact CG-CE2 3.86Å; T369-F463 HydrophobicContact CG2-CB 3.83Å; T369-F463 WeakPolarHBondContact OG1-CA 3.35Å; I459-F463 WeakPolarHBondContact O-CB 3.47Å; I459-F463 PolarHBondContact O-N 3Å; F460-F463 WeakPolarHBondContact O-CB 3.47Å; F460-F463 PolarHBondContact O-N 2.75Å; H461-F463 VanDerWaalsContact C-N 3.33Å; H461-F463 PolarHBondContact O-N 3.02Å; F463-R465 VanDerWaalsContact C-N 3.33Å; F463-R465 PolarHBondContact O-N 2.97Å; F463-S466 PolarHBondContact O-N 3.5Å; F463-Y467 VanDerWaalsContact O-CB 3.31Å; F463-Y467 WeakPolarHBondContact O-CB 3.49Å; F463-Y467 PolarHBondContact O-N 3.36Å |
| 464 | S | 88.8 | Confident | 85.3 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.9 | -46 | -179.8 | -176.5 | 0 | 0 | 0 | 0 | 111.5 | F460 H461 Y467 L468 | F460-S464 WeakPolarHBondContact O-CB 3.33Å; F460-S464 PolarHBondContact O-N 2.9Å; H461-S464 PolarHBondContact O-N 2.86Å; S464-Y467 WeakPolarHBondContact O-CB 3.48Å; S464-Y467 PolarHBondContact O-N 3.49Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.95Å |
| 465 | R | 84.9 | Confident | 84.9 | Confident | 158 Ų | 158 | 69.6 Ų | 69.6 | 60% | 0.596 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.2 | -50.1 | 175.6 | -178.8 | 177.8 | 173.2 | 172.3 | 3 | 112 | H461 F463 Y467 L468 E469 | H461-R465 PolarHBondContact O-N 3.49Å; F463-R465 VanDerWaalsContact C-N 3.33Å; F463-R465 PolarHBondContact O-N 2.97Å; R465-Y467 PolarHBondContact O-N 3.31Å; R465-L468 PolarHBondContact O-N 3.43Å; R465-E469 HydrophobicContact CG-CG 4.44Å; R465-E469 WeakPolarHBondContact CG-OE1 3.44Å; R465-E469 IonicContact CZ-OE1 2.65Å; R465-E469 IonicContact NE-OE1 3.29Å; R465-E469 PolarHBondContact NE-OE1 3.38Å; R465-E469 IonicContact NH2-OE1 3.63Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 2.96Å |
| 466 | S | 84.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.8 | -32.3 | -179.5 | -54.2 | 0 | 0 | 0 | 0 | 112.1 | R372 T462 F463 L470 | R372-S466 PolarHBondContact NH1-OG 2.89Å; T462-S466 VanDerWaalsContact O-CB 3.3Å; T462-S466 WeakPolarHBondContact O-CB 3.42Å; T462-S466 PolarHBondContact O-N 3.17Å; T462-S466 PolarHBondContact O-OG 2.89Å; F463-S466 PolarHBondContact O-N 3.5Å; S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.23Å; S466-L470 PolarHBondContact O-N 3.15Å; S466-L470 VanDerWaalsContact O-N 3.14Å |
| 467 | Y | 86.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 73.6 Ų | 73.6 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -49.2 | 174.8 | -179.3 | -103.2 | 0 | 0 | 0 | 111.4 | L361 T365 F463 S464 R465 L470 K471 | L361-Y467 HydrophobicContact CD2-CE2 4.26Å; T365-Y467 HydrophobicContact CG2-CD2 4.39Å; F463-Y467 VanDerWaalsContact O-CB 3.31Å; F463-Y467 WeakPolarHBondContact O-CB 3.49Å; F463-Y467 PolarHBondContact O-N 3.36Å; S464-Y467 WeakPolarHBondContact O-CB 3.48Å; S464-Y467 PolarHBondContact O-N 3.49Å; R465-Y467 PolarHBondContact O-N 3.31Å; Y467-L470 PolarHBondContact O-N 3.48Å; Y467-K471 HydrophobicContact CE1-CD 4.41Å; Y467-K471 VanDerWaalsContact O-CB 3.28Å; Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.44Å |
| 468 | L | 85.9 | Confident | 82.6 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.4 | -70 | 173.7 | 0 | 0 | 0 | 111.7 | Y13 S464 R465 K471 Q472 | Y13-L468 HydrophobicContact CD2-CD1 4.35Å; Y13-L468 HydrophobicContact CE2-CD1 4.1Å; S464-L468 WeakPolarHBondContact O-CG 3.35Å; S464-L468 PolarHBondContact O-N 2.95Å; R465-L468 PolarHBondContact O-N 3.43Å; L468-K471 PolarHBondContact O-N 3.41Å; L468-Q472 WeakPolarHBondContact O-CB 3.2Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.23Å; L468-Q472 PolarHBondContact O-N 3.34Å |
| 469 | E | 82.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 80 Ų | 80 | 23% | 0.229 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.9 | -54.3 | 175.3 | -75.2 | 171.6 | -176.4 | 0 | 0 | 111.1 | R372 R465 K471 Q472 E473 | R372-E469 IonicContact CZ-OE2 2.65Å; R372-E469 IonicContact NH1-OE2 3.19Å; R372-E469 PolarHBondContact NH1-OE2 2.96Å; R372-E469 IonicContact NH2-OE2 3.36Å; R372-E469 PolarHBondContact NH2-OE2 2.73Å; R465-E469 HydrophobicContact CG-CG 4.44Å; R465-E469 WeakPolarHBondContact CG-OE1 3.44Å; R465-E469 IonicContact CZ-OE1 2.65Å; R465-E469 IonicContact NE-OE1 3.29Å; R465-E469 PolarHBondContact NE-OE1 3.38Å; R465-E469 IonicContact NH2-OE1 3.63Å; R465-E469 WeakPolarHBondContact O-CG 3.46Å; R465-E469 PolarHBondContact O-N 2.96Å; E469-K471 VanDerWaalsContact C-N 3.31Å; E469-K471 PolarHBondContact O-N 3.37Å; E469-Q472 PolarHBondContact O-N 2.74Å; E469-E473 WeakPolarHBondContact O-CG 3.49Å; E469-E473 PolarHBondContact O-N 2.91Å |
| 470 | L | 80.9 | Confident | 80.9 | Confident | 31 Ų | 31 | 82.5 Ų | 82.5 | 16% | 0.162 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 179.7 | -76.1 | 169.1 | 0 | 0 | 0 | 112.8 | L361 T365 L368 S466 Y467 Q474 | L361-L470 HydrophobicContact CD1-CB 4.09Å; L361-L470 HydrophobicContact CD1-CD1 4.48Å; T365-L470 HydrophobicContact CG2-CD1 4.44Å; T365-L470 WeakPolarHBondContact OG1-CD1 3.4Å; L368-L470 HydrophobicContact CD2-CD1 3.89Å; L368-L470 HydrophobicContact CD2-CD2 4.45Å; L368-L470 HydrophobicContact CD2-CG 4.22Å; S466-L470 WeakPolarHBondContact O-CB 3.22Å; S466-L470 WeakPolarHBondContact O-CG 3.23Å; S466-L470 PolarHBondContact O-N 3.15Å; S466-L470 VanDerWaalsContact O-N 3.14Å; Y467-L470 PolarHBondContact O-N 3.48Å; L470-Q474 WeakPolarHBondContact O-CG 3.45Å; L470-Q474 PolarHBondContact O-N 3.07Å |
| 471 | K | 83.6 | Confident | 79.6 | Confident | 89 Ų | 89 | 81.5 Ų | 81.5 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.3 | -44.7 | 176.2 | -171.6 | -171.5 | 178 | -152.8 | 0 | 110.9 | Y467 L468 E469 Q474 E475 | Y467-K471 HydrophobicContact CE1-CD 4.41Å; Y467-K471 VanDerWaalsContact O-CB 3.28Å; Y467-K471 WeakPolarHBondContact O-CB 3.31Å; Y467-K471 PolarHBondContact O-N 3.44Å; L468-K471 PolarHBondContact O-N 3.41Å; E469-K471 VanDerWaalsContact C-N 3.31Å; E469-K471 PolarHBondContact O-N 3.37Å; K471-Q474 PolarHBondContact O-N 3.31Å; K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 IonicContact NZ-OE1 3.54Å; K471-E475 WeakPolarHBondContact O-CG 3.28Å; K471-E475 PolarHBondContact O-N 2.86Å |
| 472 | Q | 82.9 | Confident | 78.7 | Confident | 96 Ų | 96 | 78.6 Ų | 78.6 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 177.4 | -74.9 | 177.4 | -6.9 | 0 | 0 | 111.9 | L468 E469 Q474 E475 R476 | L468-Q472 WeakPolarHBondContact O-CB 3.2Å; L468-Q472 VanDerWaalsContact O-CG 3.3Å; L468-Q472 WeakPolarHBondContact O-CG 3.23Å; L468-Q472 PolarHBondContact O-N 3.34Å; E469-Q472 PolarHBondContact O-N 2.74Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.45Å; Q472-E475 PolarHBondContact O-N 2.92Å; Q472-R476 WeakPolarHBondContact O-CB 3.44Å; Q472-R476 VanDerWaalsContact O-CG 3.29Å; Q472-R476 WeakPolarHBondContact O-CG 3.26Å; Q472-R476 PolarHBondContact O-N 3.24Å |
| 473 | E | 75.8 | Confident | 77.9 | Confident | 103 Ų | 103 | 81.2 Ų | 81.2 | 48% | 0.481 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58 | -46.3 | 173.9 | -74.9 | 176.5 | 177.9 | 0 | 0 | 111.3 | E469 E475 R476 V477 | E469-E473 WeakPolarHBondContact O-CG 3.49Å; E469-E473 PolarHBondContact O-N 2.91Å; E473-E475 PolarHBondContact O-N 3.35Å; E473-R476 PolarHBondContact O-N 3.06Å; E473-V477 VanDerWaalsContact O-CG2 3.31Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 2.98Å |
| 474 | Q | 75.5 | Confident | 76.8 | Confident | 99 Ų | 99 | 83.8 Ų | 83.8 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.2 | -75.2 | -169.6 | -16 | 0 | 0 | 112.6 | L470 K471 Q472 M478 | L470-Q474 WeakPolarHBondContact O-CG 3.45Å; L470-Q474 PolarHBondContact O-N 3.07Å; K471-Q474 PolarHBondContact O-N 3.31Å; Q472-Q474 VanDerWaalsContact C-N 3.34Å; Q472-Q474 PolarHBondContact O-N 3.45Å; Q474-M478 WeakPolarHBondContact O-CG 3.37Å; Q474-M478 PolarHBondContact O-N 3.03Å |
| 475 | E | 76.4 | Confident | 75.7 | Confident | 97 Ų | 97 | 88.1 Ų | 88.1 | 45% | 0.453 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -41.9 | 177.8 | -74.1 | 174.7 | -177.8 | 0 | 0 | 112.1 | K471 Q472 E473 M478 F479 | K471-E475 WeakPolarHBondContact CE-OE1 3.26Å; K471-E475 IonicContact NZ-OE1 3.54Å; K471-E475 WeakPolarHBondContact O-CG 3.28Å; K471-E475 PolarHBondContact O-N 2.86Å; Q472-E475 PolarHBondContact O-N 2.92Å; E473-E475 PolarHBondContact O-N 3.35Å; E475-M478 PolarHBondContact O-N 3.07Å; E475-F479 WeakPolarHBondContact O-CB 3.45Å; E475-F479 PolarHBondContact O-N 3.13Å |
| 476 | R | 75.6 | Confident | 74.9 | Confident | 109 Ų | 109 | 86 Ų | 86 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -46.2 | 176.2 | -74.1 | 176.6 | -169.8 | 170.8 | 4.8 | 111.6 | Q472 E473 M478 F479 R480 | Q472-R476 WeakPolarHBondContact O-CB 3.44Å; Q472-R476 VanDerWaalsContact O-CG 3.29Å; Q472-R476 WeakPolarHBondContact O-CG 3.26Å; Q472-R476 PolarHBondContact O-N 3.24Å; E473-R476 PolarHBondContact O-N 3.06Å; R476-M478 VanDerWaalsContact C-N 3.29Å; R476-M478 PolarHBondContact O-N 2.88Å; R476-F479 PolarHBondContact O-N 3.45Å; R476-F479 VanDerWaalsContact O-N 3.16Å; R476-R480 WeakPolarHBondContact O-CG 3.29Å; R476-R480 PolarHBondContact O-N 3.38Å |
| 477 | V | 70.1 | Confident | 74.1 | Confident | 58 Ų | 58 | 92.5 Ų | 92.5 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 176.3 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | E473 R481 | E473-V477 VanDerWaalsContact O-CG2 3.31Å; E473-V477 WeakPolarHBondContact O-CG2 3.39Å; E473-V477 PolarHBondContact O-N 2.98Å; V477-R481 WeakPolarHBondContact O-CB 3.43Å; V477-R481 WeakPolarHBondContact O-CG 3.39Å; V477-R481 PolarHBondContact O-N 3.38Å |
| 478 | M | 70.6 | Confident | 72.9 | Confident | 120 Ų | 120 | 91 Ų | 91 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 174.4 | -71.8 | -143.5 | -70.5 | 0 | 0 | 112.4 | Q474 E475 R476 R481 A482 | Q474-M478 WeakPolarHBondContact O-CG 3.37Å; Q474-M478 PolarHBondContact O-N 3.03Å; E475-M478 PolarHBondContact O-N 3.07Å; R476-M478 VanDerWaalsContact C-N 3.29Å; R476-M478 PolarHBondContact O-N 2.88Å; M478-R481 PolarHBondContact O-N 3.24Å; M478-A482 PolarHBondContact O-N 3.3Å |
| 479 | F | 73.6 | Confident | 71.9 | Confident | 127 Ų | 127 | 95.8 Ų | 95.8 | 56% | 0.557 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66.8 | -48.2 | 180 | -177.2 | -99.4 | 0 | 0 | 0 | 112.9 | E475 R476 R481 A482 Q483 | E475-F479 WeakPolarHBondContact O-CB 3.45Å; E475-F479 PolarHBondContact O-N 3.13Å; R476-F479 PolarHBondContact O-N 3.45Å; R476-F479 VanDerWaalsContact O-N 3.16Å; F479-R481 PolarHBondContact O-N 3.09Å; F479-A482 PolarHBondContact O-N 3.21Å; F479-A482 VanDerWaalsContact O-N 3.14Å; F479-Q483 HydrophobicContact CD1-CG 4.43Å; F479-Q483 VanDerWaalsContact CE1-CD 3.44Å; F479-Q483 HydrophobicContact CE1-CG 4.05Å; F479-Q483 HydrophobicContact CZ-CG 4.18Å; F479-Q483 PolarHBondContact O-N 3.43Å |
| 480 | R | 68.4 | Low | 71 | Confident | 82 Ų | 82 | 96.1 Ų | 96.1 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.5 | -40.3 | 175.4 | -70.1 | -168.6 | -149 | 162 | 8.4 | 111 | E183 R476 Q483 F484 | E183-R480 IonicContact OE1-CZ 2.79Å; E183-R480 IonicContact OE1-NE 3.75Å; E183-R480 IonicContact OE1-NH2 3.23Å; E183-R480 PolarHBondContact OE1-NH2 3.1Å; R476-R480 WeakPolarHBondContact O-CG 3.29Å; R476-R480 PolarHBondContact O-N 3.38Å; R480-Q483 PolarHBondContact O-N 2.91Å; R480-F484 PolarHBondContact O-N 3.39Å |
| 481 | R | 62.1 | Low | 69.9 | Low | 106 Ų | 106 | 101.2 Ų | 101.2 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71.8 | -38.1 | 178.8 | -74 | -178.9 | 176.5 | 173.4 | 5 | 113.7 | V477 M478 F479 Q483 F484 L485 | V477-R481 WeakPolarHBondContact O-CB 3.43Å; V477-R481 WeakPolarHBondContact O-CG 3.39Å; V477-R481 PolarHBondContact O-N 3.38Å; M478-R481 PolarHBondContact O-N 3.24Å; F479-R481 PolarHBondContact O-N 3.09Å; R481-Q483 VanDerWaalsContact C-N 3.28Å; R481-Q483 PolarHBondContact O-N 3.37Å; R481-F484 PolarHBondContact O-N 3.2Å; R481-L485 WeakPolarHBondContact O-CG 3.35Å; R481-L485 PolarHBondContact O-N 3.29Å |
| 482 | A | 67.6 | Low | 68.6 | Low | 48 Ų | 48 | 102.7 Ų | 102.7 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M478 F479 L485 I486 | M478-A482 PolarHBondContact O-N 3.3Å; F479-A482 PolarHBondContact O-N 3.21Å; F479-A482 VanDerWaalsContact O-N 3.14Å; A482-L485 PolarHBondContact O-N 2.78Å; A482-I486 WeakPolarHBondContact O-CD1 3.25Å; A482-I486 VanDerWaalsContact O-CG1 3.23Å; A482-I486 WeakPolarHBondContact O-CG1 3.46Å; A482-I486 PolarHBondContact O-N 2.99Å; A482-I486 VanDerWaalsContact O-N 3.08Å |
| 483 | Q | 70.4 | Confident | 67.3 | Low | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 174.2 | -70.3 | -169.1 | -24.1 | 0 | 0 | 112.7 | F479 R480 R481 I486 K487 | F479-Q483 HydrophobicContact CD1-CG 4.43Å; F479-Q483 VanDerWaalsContact CE1-CD 3.44Å; F479-Q483 HydrophobicContact CE1-CG 4.05Å; F479-Q483 HydrophobicContact CZ-CG 4.18Å; F479-Q483 PolarHBondContact O-N 3.43Å; R480-Q483 PolarHBondContact O-N 2.91Å; R481-Q483 VanDerWaalsContact C-N 3.28Å; R481-Q483 PolarHBondContact O-N 3.37Å; Q483-I486 PolarHBondContact O-N 2.81Å; Q483-K487 WeakPolarHBondContact O-CG 3.4Å; Q483-K487 PolarHBondContact O-N 3.49Å |
| 484 | F | 66.8 | Low | 66.4 | Low | 112 Ų | 112 | 100.3 Ų | 100.3 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 175.6 | -177.4 | -95.1 | 0 | 0 | 0 | 111.7 | R480 R481 I486 K487 T488 | R480-F484 PolarHBondContact O-N 3.39Å; R481-F484 PolarHBondContact O-N 3.2Å; F484-I486 PolarHBondContact O-N 3.17Å; F484-K487 PolarHBondContact O-N 3.16Å; F484-K487 VanDerWaalsContact O-N 3.08Å; F484-T488 WeakPolarHBondContact CE1-OG1 3.45Å; F484-T488 PolarHBondContact O-N 3.01Å; F484-T488 PolarHBondContact O-OG1 3.39Å |
| 485 | L | 64.8 | Low | 65.2 | Low | 120 Ų | 120 | 98.9 Ų | 98.9 | 63% | 0.628 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.8 | -37.1 | 177.7 | -74.2 | 172.2 | 0 | 0 | 0 | 112.4 | R481 A482 K489 | R481-L485 WeakPolarHBondContact O-CG 3.35Å; R481-L485 PolarHBondContact O-N 3.29Å; A482-L485 PolarHBondContact O-N 2.78Å; L485-K489 VanDerWaalsContact O-CB 3.26Å; L485-K489 WeakPolarHBondContact O-CB 3.39Å; L485-K489 PolarHBondContact O-N 3.45Å |
| 486 | I | 68.9 | Low | 63.9 | Low | 115 Ų | 115 | 100.4 Ų | 100.4 | 59% | 0.59 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -46.5 | 175 | -68.1 | 164.4 | 0 | 0 | 0 | 110.5 | A482 Q483 F484 K489 S490 | A482-I486 WeakPolarHBondContact O-CD1 3.25Å; A482-I486 VanDerWaalsContact O-CG1 3.23Å; A482-I486 WeakPolarHBondContact O-CG1 3.46Å; A482-I486 PolarHBondContact O-N 2.99Å; A482-I486 VanDerWaalsContact O-N 3.08Å; Q483-I486 PolarHBondContact O-N 2.81Å; F484-I486 PolarHBondContact O-N 3.17Å; I486-K489 PolarHBondContact O-N 2.97Å; I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.49Å; I486-S490 PolarHBondContact O-OG 3.44Å |
| 487 | K | 67.3 | Low | 62.7 | Low | 136 Ų | 136 | 100.3 Ų | 100.3 | 59% | 0.591 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 176.7 | -75.5 | -178.4 | 179.1 | 178.7 | 0 | 112.5 | Q483 F484 S490 Q491 | Q483-K487 WeakPolarHBondContact O-CG 3.4Å; Q483-K487 PolarHBondContact O-N 3.49Å; F484-K487 PolarHBondContact O-N 3.16Å; F484-K487 VanDerWaalsContact O-N 3.08Å; K487-S490 WeakPolarHBondContact CA-OG 3.42Å; K487-S490 PolarHBondContact O-N 3.06Å; K487-S490 PolarHBondContact O-OG 2.99Å; K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.96Å |
| 488 | T | 62.3 | Low | 61.7 | Low | 58 Ų | 58 | 100 Ų | 100 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.3 | -46.4 | 0 | 0 | 0 | 0 | 111 | F484 S490 Q491 L492 | F484-T488 WeakPolarHBondContact CE1-OG1 3.45Å; F484-T488 PolarHBondContact O-N 3.01Å; F484-T488 PolarHBondContact O-OG1 3.39Å; T488-S490 VanDerWaalsContact C-N 3.34Å; T488-S490 PolarHBondContact O-N 3.49Å; T488-Q491 PolarHBondContact O-N 3.31Å; T488-L492 WeakPolarHBondContact O-CB 3.09Å; T488-L492 PolarHBondContact O-N 2.92Å |
| 489 | K | 63.8 | Low | 60.8 | Low | 163 Ų | 163 | 100.1 Ų | 100.1 | 71% | 0.709 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.7 | -37.3 | 177.1 | -166.6 | 176.3 | -178.6 | -178 | 0 | 111.9 | L485 I486 L492 S493 | L485-K489 VanDerWaalsContact O-CB 3.26Å; L485-K489 WeakPolarHBondContact O-CB 3.39Å; L485-K489 PolarHBondContact O-N 3.45Å; I486-K489 PolarHBondContact O-N 2.97Å; K489-L492 PolarHBondContact O-N 3.47Å; K489-S493 PolarHBondContact O-N 3.49Å; K489-S493 PolarHBondContact O-OG 3.38Å |
| 490 | S | 64.1 | Low | 59.9 | Low | 57 Ų | 57 | 99.7 Ų | 99.7 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.5 | -36.9 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 112.7 | I486 K487 T488 S493 V494 | I486-S490 WeakPolarHBondContact O-CB 3.48Å; I486-S490 PolarHBondContact O-N 3.49Å; I486-S490 PolarHBondContact O-OG 3.44Å; K487-S490 WeakPolarHBondContact CA-OG 3.42Å; K487-S490 PolarHBondContact O-N 3.06Å; K487-S490 PolarHBondContact O-OG 2.99Å; T488-S490 VanDerWaalsContact C-N 3.34Å; T488-S490 PolarHBondContact O-N 3.49Å; S490-S493 WeakPolarHBondContact CA-OG 3.29Å; S490-S493 PolarHBondContact O-OG 3.22Å; S490-V494 VanDerWaalsContact O-CG2 3.23Å; S490-V494 WeakPolarHBondContact O-CG2 3.2Å; S490-V494 PolarHBondContact O-N 3.22Å; S490-V494 VanDerWaalsContact O-N 3.12Å |
| 491 | Q | 57 | Low | 58.9 | Low | 137 Ų | 137 | 102.4 Ų | 102.4 | 64% | 0.64 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66 | -41 | 173.1 | -75.9 | 179.8 | -16.6 | 0 | 0 | 111.6 | K487 T488 V494 S495 | K487-Q491 WeakPolarHBondContact O-CG 3.49Å; K487-Q491 PolarHBondContact O-N 2.96Å; T488-Q491 PolarHBondContact O-N 3.31Å; Q491-V494 PolarHBondContact O-N 3.19Å; Q491-S495 PolarHBondContact O-N 3.45Å; Q491-S495 VanDerWaalsContact O-N 3.08Å |
| 492 | L | 56.5 | Low | 58.1 | Low | 120 Ų | 120 | 105.4 Ų | 105.4 | 63% | 0.628 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -38.9 | 177.7 | -145 | 83.8 | 0 | 0 | 0 | 112.3 | T488 K489 S495 Q496 | T488-L492 WeakPolarHBondContact O-CB 3.09Å; T488-L492 PolarHBondContact O-N 2.92Å; K489-L492 PolarHBondContact O-N 3.47Å; L492-S495 PolarHBondContact O-N 3.13Å; L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 PolarHBondContact O-N 3.27Å |
| 493 | S | 56.4 | Low | 56.9 | Low | 53 Ų | 53 | 105.6 Ų | 105.6 | 37% | 0.371 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.5 | -36.9 | 175.9 | 58.6 | 0 | 0 | 0 | 0 | 112.4 | K489 S490 Q496 D497 | K489-S493 PolarHBondContact O-N 3.49Å; K489-S493 PolarHBondContact O-OG 3.38Å; S490-S493 WeakPolarHBondContact CA-OG 3.29Å; S490-S493 PolarHBondContact O-OG 3.22Å; S493-Q496 PolarHBondContact O-N 2.92Å; S493-D497 PolarHBondContact O-N 3Å |
| 494 | V | 56 | Low | 55.7 | Low | 97 Ų | 97 | 105.7 Ų | 105.7 | 59% | 0.588 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.6 | -39.2 | 176.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | S490 Q491 S498 | S490-V494 VanDerWaalsContact O-CG2 3.23Å; S490-V494 WeakPolarHBondContact O-CG2 3.2Å; S490-V494 PolarHBondContact O-N 3.22Å; S490-V494 VanDerWaalsContact O-N 3.12Å; Q491-V494 PolarHBondContact O-N 3.19Å; V494-S498 PolarHBondContact O-N 2.95Å; V494-S498 VanDerWaalsContact O-N 3.13Å; V494-S498 PolarHBondContact O-OG 3.47Å |
| 495 | S | 50.9 | Low | 54.6 | Low | 68 Ų | 68 | 104.5 Ų | 104.5 | 48% | 0.476 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -37.9 | 172.4 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | Q491 L492 S498 D499 | Q491-S495 PolarHBondContact O-N 3.45Å; Q491-S495 VanDerWaalsContact O-N 3.08Å; L492-S495 PolarHBondContact O-N 3.13Å; S495-S498 VanDerWaalsContact CA-OG 3.29Å; S495-S498 WeakPolarHBondContact CA-OG 3.36Å; S495-S498 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-OG 2.54Å; S495-S498 VanDerWaalsContact O-OG 3.07Å; S495-D499 PolarHBondContact O-N 3.03Å |
| 496 | Q | 49.8 | Very low | 53.7 | Low | 130 Ų | 130 | 103.8 Ų | 103.8 | 61% | 0.607 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -70.3 | -36.8 | 179.8 | -141.7 | 169 | 9.2 | 0 | 0 | 112.5 | L492 S493 I500 | L492-Q496 WeakPolarHBondContact O-CB 3.49Å; L492-Q496 PolarHBondContact O-N 3.27Å; S493-Q496 PolarHBondContact O-N 2.92Å; Q496-I500 WeakPolarHBondContact O-CG1 3.31Å; Q496-I500 PolarHBondContact O-N 3.45Å |
| 497 | D | 50.3 | Low | 52.5 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 57% | 0.572 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.4 | -30.6 | 173.9 | -79.7 | -23.1 | 0 | 0 | 0 | 112.6 | S493 L501 | S493-D497 PolarHBondContact O-N 3Å; D497-L501 PolarHBondContact O-N 3.24Å; D497-L501 VanDerWaalsContact O-N 3.17Å |
| 498 | S | 49.3 | Very low | 51.3 | Low | 51 Ų | 51 | 104.1 Ų | 104.1 | 36% | 0.357 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.4 | -35.7 | 175.8 | 31.2 | 0 | 0 | 0 | 0 | 112.7 | V494 S495 I500 L501 F502 | V494-S498 PolarHBondContact O-N 2.95Å; V494-S498 VanDerWaalsContact O-N 3.13Å; V494-S498 PolarHBondContact O-OG 3.47Å; S495-S498 VanDerWaalsContact CA-OG 3.29Å; S495-S498 WeakPolarHBondContact CA-OG 3.36Å; S495-S498 PolarHBondContact O-N 2.89Å; S495-S498 PolarHBondContact O-OG 2.54Å; S495-S498 VanDerWaalsContact O-OG 3.07Å; S498-I500 VanDerWaalsContact C-N 3.32Å; S498-I500 PolarHBondContact O-N 3.23Å; S498-L501 PolarHBondContact O-N 3.39Å; S498-F502 WeakPolarHBondContact O-CD2 3.27Å; S498-F502 PolarHBondContact O-N 3.15Å |
| 499 | D | 50.4 | Low | 50.6 | Low | 122 Ų | 122 | 107.6 Ų | 107.6 | 65% | 0.652 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.8 | -32.7 | 172.6 | -77.2 | -24 | 0 | 0 | 0 | 112.8 | S495 G503 | S495-D499 PolarHBondContact O-N 3.03Å; D499-G503 PolarHBondContact O-N 3.25Å |
| 500 | I | 54.5 | Low | 49.7 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 61% | 0.61 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -71.4 | -36.2 | 174.6 | -65.8 | 167.7 | 0 | 0 | 0 | 111.1 | Q496 S498 | Q496-I500 WeakPolarHBondContact O-CG1 3.31Å; Q496-I500 PolarHBondContact O-N 3.45Å; S498-I500 VanDerWaalsContact C-N 3.32Å; S498-I500 PolarHBondContact O-N 3.23Å |
| 501 | L | 47.4 | Very low | 48.8 | Very low | 139 Ų | 139 | 116.2 Ų | 116.2 | 73% | 0.728 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.8 | -37.6 | 177.6 | -125.8 | 89.5 | 0 | 0 | 0 | 112.6 | D497 S498 | D497-L501 PolarHBondContact O-N 3.24Å; D497-L501 VanDerWaalsContact O-N 3.17Å; S498-L501 PolarHBondContact O-N 3.39Å |
| 502 | F | 46.7 | Very low | 48.1 | Very low | 169 Ų | 169 | 117.6 Ų | 117.6 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -87.5 | -18.6 | 179.6 | -82 | -82.8 | 0 | 0 | 0 | 114.2 | S498 S504 | S498-F502 WeakPolarHBondContact O-CD2 3.27Å; S498-F502 PolarHBondContact O-N 3.15Å; F502-S504 VanDerWaalsContact C-N 3.3Å; F502-S504 PolarHBondContact O-N 2.98Å |
| 503 | G | 42.1 | Very low | 47.2 | Very low | 52 Ų | 52 | 123.5 Ų | 123.5 | 54% | 0.536 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | -16.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D499 | D499-G503 PolarHBondContact O-N 3.25Š|
| 504 | S | 44.2 | Very low | 46.8 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -8.2 | -179.8 | 79.8 | 0 | 0 | 0 | 0 | 114.8 | F502 | F502-S504 VanDerWaalsContact C-N 3.3Å; F502-S504 PolarHBondContact O-N 2.98Å |
| 505 | A | 44.4 | Very low | 46.3 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -93.1 | 3.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 506 | S | 44.6 | Very low | 46 | Very low | 104 Ų | 104 | 132 Ų | 132 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -118.4 | 11.7 | -171.5 | 69 | 0 | 0 | 0 | 0 | 116.7 | ||
| 507 | S | 43.8 | Very low | 45.8 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -111 | 9.3 | -175.9 | 59.5 | 0 | 0 | 0 | 0 | 117.4 | ||
| 508 | D | 43.5 | Very low | 45.5 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -120.1 | 39 | -176 | -97.2 | -11.9 | 0 | 0 | 0 | 115 | ||
| 509 | T | 46.8 | Very low | 45.3 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | trans | -148.7 | 74 | 165.8 | 42.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 510 | R | 45.8 | Very low | 44.9 | Very low | 242 Ų | 242 | 140.4 Ų | 140.4 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -167.4 | 83.3 | 155.7 | -111.2 | 169.3 | -173.4 | 174.6 | 2.9 | 110.2 | ||||
| 511 | D | 44.4 | Very low | 44.2 | Very low | 160 Ų | 160 | 142.1 Ų | 142.1 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -160.5 | 91 | 149 | -91.6 | -24.4 | 0 | 0 | 0 | 108.2 | ||||
| 512 | N | 41.6 | Very low | 43.9 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -171.2 | 78.5 | 156.4 | -100.5 | -13 | 0 | 0 | 0 | 108.6 | ||||
| 513 | N | 39.2 | Very low | 43.7 | Very low | 244 Ų | 244 | 139.9 Ų | 139.9 | 100% | 1.305 | 81% | 0.814 | S | S | * | * | trans | -178.4 | 0 | 132.9 | -112.9 | 3.3 | 0 | 0 | 0 | 110.9 |
Retrieved 513 of 513 residues in 445.7 ms
(Link to these results)