| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.3 | Very low | 42.1 | Very low | 250 Ų | 250 | 151.3 Ų | 151.3 | 100% | 1.232 | 87% | 0.869 | S | S | * | * | 0 | 161.4 | 0 | -75.9 | -178.8 | 167.6 | 0 | 0 | 108.7 | |||||
| 2 | A | 38.3 | Very low | 42.1 | Very low | 99 Ų | 99 | 149.7 Ų | 149.7 | 82% | 0.818 | 86% | 0.863 | S | S | * | * | trans | -104.4 | 152.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 3 | T | 39.2 | Very low | 42.1 | Very low | 140 Ų | 140 | 156.1 Ų | 156.1 | 86% | 0.859 | 86% | 0.864 | S | S | * | * | trans | -138.4 | 130 | 171.2 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | L | 48.9 | Very low | 41.9 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 89% | 0.89 | 86% | 0.86 | S | S | * | * | trans | -33.5 | 152.3 | 171.4 | -57.2 | 172.4 | 0 | 0 | 0 | 115.7 | ||||
| 5 | P | 49.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | -134.1 | -177.1 | 61.2 | 37.5 | -20.4 | 0 | 0 | 0 | 114.1 | |||||
| 6 | G | 37.2 | Very low | 42 | Very low | 70 Ų | 70 | 148.8 Ų | 148.8 | 72% | 0.722 | 85% | 0.854 | S | S | * | * | cis | 175 | 153.5 | -5.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 7 | T | 42.5 | Very low | 41.6 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 84% | 0.84 | 84% | 0.841 | S | S | * | * | trans | -53.5 | 155.6 | -179.9 | -11.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 8 | V | 39 | Very low | 41.4 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | cis | -164.5 | -178.9 | 35.2 | -123.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 9 | P | 44.1 | Very low | 41.2 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | cis | -123.1 | -175.6 | -24.1 | 31.7 | -10.9 | 0 | 0 | 0 | 113 | M11 | P9-M11 PolarHBondContact O-N 3.19Š| ||
| 10 | R | 43.7 | Very low | 40.9 | Very low | 237 Ų | 237 | 147.9 Ų | 147.9 | 89% | 0.894 | 83% | 0.832 | S | S | * | * | trans | -83.5 | 105.6 | -171.5 | -176.2 | -175.1 | -169.4 | 170.2 | 2.6 | 113.6 | ||||
| 11 | M | 38.9 | Very low | 40.8 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 139 | 165.1 | -75.9 | -174.7 | 71.4 | 0 | 0 | 111.8 | P9 | P9-M11 PolarHBondContact O-N 3.19Š|
| 12 | V | 42.3 | Very low | 40.7 | Very low | 132 Ų | 132 | 144.3 Ų | 144.3 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 132.7 | 177.9 | 178.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 13 | R | 42.2 | Very low | 41 | Very low | 233 Ų | 233 | 145.1 Ų | 145.1 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71 | 125.3 | 178.7 | -168 | 178.1 | -169.6 | 171.7 | 3.8 | 109.9 | A15 | R13-A15 PolarHBondContact O-N 2.7Š|
| 14 | P | 38.8 | Very low | 40.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62 | 134.8 | 179.4 | -24.4 | 34.5 | 0 | 0 | 0 | 112.5 | ||
| 15 | A | 40.6 | Very low | 40.4 | Very low | 87 Ų | 87 | 141.7 Ų | 141.7 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 143.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110 | R13 G17 | R13-A15 PolarHBondContact O-N 2.7Å; A15-G17 PolarHBondContact O-N 2.97Å |
| 16 | P | 44.8 | Very low | 40.1 | Very low | 141 Ų | 141 | 140 Ų | 140 | 92% | 0.916 | 77% | 0.769 | S | S | * | * | trans | -77.4 | 90.4 | 179.5 | 31.1 | -34.3 | 0 | 0 | 0 | 111.6 | ||||
| 17 | G | 36.3 | Very low | 40.4 | Very low | 61 Ų | 61 | 144.3 Ų | 144.3 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | -115.2 | 159.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110 | A15 | A15-G17 PolarHBondContact O-N 2.97Š| ||
| 18 | Q | 37.3 | Very low | 40.5 | Very low | 160 Ų | 160 | 144.8 Ų | 144.8 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -153.7 | 165.2 | -2.5 | -104.9 | -70 | -9 | 0 | 0 | 108.5 | ||||
| 19 | N | 37.1 | Very low | 40.6 | Very low | 136 Ų | 136 | 143.7 Ų | 143.7 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 18.5 | 110.2 | 163.2 | -91.4 | -83.5 | 0 | 0 | 0 | 120.2 | ||||
| 20 | Y | 35.2 | Very low | 40.3 | Very low | 221 Ų | 221 | 142.7 Ų | 142.7 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | trans | -99.1 | 128.1 | 140.3 | -88.1 | -85.3 | 0 | 0 | 0 | 108.7 | R22 | Y20-R22 PolarHBondContact O-N 2.87Š| ||
| 21 | P | 39 | Very low | 40.5 | Very low | 96 Ų | 96 | 135.1 Ų | 135.1 | 62% | 0.623 | 74% | 0.737 | S | S | * | * | trans | -69.3 | 114.9 | 177.2 | 27.9 | -33.1 | 0 | 0 | 0 | 110 | T23 | P21-T23 PolarHBondContact O-N 3.21Š| ||
| 22 | R | 38.8 | Very low | 40.9 | Very low | 226 Ų | 226 | 132.6 Ų | 132.6 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -79.3 | 44.9 | -179.3 | -155.6 | -163.7 | -174.4 | -77.4 | -0.3 | 112.9 | Y20 G24 | Y20-R22 PolarHBondContact O-N 2.87Å; R22-G24 PolarHBondContact O-N 3.39Å | ||
| 23 | T | 45.9 | Very low | 41.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | trans | -77.2 | 57.3 | 176 | 50.4 | 0 | 0 | 0 | 0 | 111.5 | P21 | P21-T23 PolarHBondContact O-N 3.21Š| ||
| 24 | G | 36.8 | Very low | 42 | Very low | 51 Ų | 51 | 124 Ų | 124 | 53% | 0.526 | 72% | 0.721 | S | S | . | * | trans | -105.1 | 99.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | R22 | R22-G24 PolarHBondContact O-N 3.39Š| ||
| 25 | F | 37.9 | Very low | 43.5 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 82% | 0.82 | 71% | 0.706 | S | S | * | * | trans | -49 | 141.8 | -171.2 | -66.7 | -96.2 | 0 | 0 | 0 | 112.8 | L27 | F25-L27 PolarHBondContact O-N 2.9Š| ||
| 26 | P | 44.7 | Very low | 45.2 | Very low | 97 Ų | 97 | 120.8 Ų | 120.8 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | trans | -55.8 | 132.5 | 152.5 | -10.8 | 25.8 | 0 | 0 | 0 | 107.2 | E28 | P26-E28 PolarHBondContact O-N 3.45Š| ||
| 27 | L | 41.9 | Very low | 47.2 | Very low | 161 Ų | 161 | 121.5 Ų | 121.5 | 84% | 0.843 | 67% | 0.674 | S | S | * | * | trans | -73.8 | 80.5 | 167 | -152.5 | 84 | 0 | 0 | 0 | 107.4 | F25 V29 | F25-L27 PolarHBondContact O-N 2.9Å; L27-V29 HydrophobicContact CD2-CG2 4.4Å; L27-V29 PolarHBondContact O-N 3.01Å | ||
| 28 | E | 45 | Very low | 49.8 | Very low | 146 Ų | 146 | 123.4 Ų | 123.4 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | trans | -59.1 | 91.5 | 166.5 | -80.1 | -63.1 | 123.3 | 0 | 0 | 107.4 | P26 S30 | P26-E28 PolarHBondContact O-N 3.45Å; E28-S30 PolarHBondContact O-N 2.72Å; E28-S30 PolarHBondContact O-OG 2.94Å | ||
| 29 | V | 41.3 | Very low | 52.3 | Low | 105 Ų | 105 | 117.6 Ų | 117.6 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | trans | -68.3 | 87.7 | 163.4 | 171.3 | 0 | 0 | 0 | 0 | 105.5 | L27 T31 | L27-V29 HydrophobicContact CD2-CG2 4.4Å; L27-V29 PolarHBondContact O-N 3.01Å; V29-T31 HydrophobicContact CG1-CG2 4.39Å; V29-T31 PolarHBondContact O-N 3.48Å | ||
| 30 | S | 37.3 | Very low | 54.9 | Low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 66% | 0.659 | S | S | * | * | trans | -67.5 | 63 | 179.8 | -62.1 | 0 | 0 | 0 | 0 | 111.7 | E28 | E28-S30 PolarHBondContact O-N 2.72Å; E28-S30 PolarHBondContact O-OG 2.94Å | ||
| 31 | T | 49.3 | Very low | 57.5 | Low | 77 Ų | 77 | 113.7 Ų | 113.7 | 47% | 0.472 | 64% | 0.635 | S | S | . | * | trans | -56.6 | 127 | 152.4 | 49.1 | 0 | 0 | 0 | 0 | 107 | V29 L33 | V29-T31 HydrophobicContact CG1-CG2 4.39Å; V29-T31 PolarHBondContact O-N 3.48Å; T31-L33 CarbonylContact O-C 3.54Å; T31-L33 PolarHBondContact O-N 2.7Å | ||
| 32 | P | 47.4 | Very low | 59.8 | Low | 131 Ų | 131 | 110.6 Ų | 110.6 | 85% | 0.851 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -66.7 | 2.8 | -160.4 | 21.9 | -33.8 | 0 | 0 | 0 | 116.5 | ||
| 33 | L | 52.5 | Low | 62.3 | Low | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -121.1 | 117.5 | 160.7 | -86.2 | 74.8 | 0 | 0 | 0 | 108.8 | T31 Q35 | T31-L33 CarbonylContact O-C 3.54Å; T31-L33 PolarHBondContact O-N 2.7Å; L33-Q35 HydrophobicContact CB-CG 4.47Å; L33-Q35 PolarHBondContact O-N 2.97Å |
| 34 | G | 54.2 | Low | 64.5 | Low | 85 Ų | 85 | 99.7 Ų | 99.7 | 88% | 0.876 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -69.2 | 47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 35 | Q | 69.3 | Low | 67.2 | Low | 105 Ų | 105 | 100.4 Ų | 100.4 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | trans | -105.3 | 0.5 | -179.7 | -65 | -173.7 | -17 | 0 | 0 | 113.3 | L33 R37 I46 | L33-Q35 HydrophobicContact CB-CG 4.47Å; L33-Q35 PolarHBondContact O-N 2.97Å; Q35-R37 PolarHBondContact O-N 3.1Å; Q35-I46 HydrophobicContact CB-CG2 4.22Å | ||
| 36 | G | 77.1 | Confident | 69.6 | Low | 36 Ų | 36 | 94.4 Ų | 94.4 | 37% | 0.371 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 37 | R | 85.8 | Confident | 71.6 | Confident | 157 Ų | 157 | 94.3 Ų | 94.3 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 148.7 | 170.3 | -63.4 | -169.8 | -176.8 | -162.7 | -1.9 | 109.7 | Q35 V44 F45 | Q35-R37 PolarHBondContact O-N 3.1Å; R37-V44 CarbonylContact O-C 3.36Å; R37-V44 WeakPolarHBondContact O-CA 3.24Å; R37-F45 HydrophobicContact CB-CD1 4.4Å; R37-F45 HydrophobicContact CB-CE1 3.83Å; R37-F45 HydrophobicContact CB-CZ 3.91Å; R37-F45 PolarHBondContact N-O 3.04Å; R37-F45 WeakPolarHBondContact O-CD1 3.3Å; R37-F45 WeakPolarHBondContact O-CE1 3.27Å; R37-F45 PolarHBondContact O-N 3.28Å |
| 38 | V | 91.2 | Very high | 73.7 | Confident | 101 Ų | 101 | 90 Ų | 90 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 138.3 | 173.7 | -172.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 39 | N | 91 | Very high | 75.8 | Confident | 37 Ų | 37 | 90.2 Ų | 90.2 | 20% | 0.198 | 53% | 0.527 | C | S | . | . | P | Polyproline II helix | trans | -93.2 | 173.5 | 175.5 | 70.9 | 37.1 | 0 | 0 | 0 | 112 | L41 G42 G43 F45 R77 | N39-L41 PolarHBondContact O-N 2.7Å; N39-L41 WeakPolarHBondContact OD1-CA 3.42Å; N39-L41 WeakPolarHBondContact OD1-CB 3.31Å; N39-L41 PolarHBondContact OD1-N 3.45Å; N39-G42 PolarHBondContact O-N 2.91Å; N39-G42 PolarHBondContact OD1-N 3.06Å; N39-G43 PolarHBondContact N-O 3.4Å; N39-G43 PolarHBondContact ND2-O 2.59Å; N39-G43 PolarHBondContact OD1-N 3.13Å; N39-G43 VanDerWaalsContact OD1-N 3.08Å; N39-F45 HydrophobicContact CB-CD1 3.93Å; N39-F45 HydrophobicContact CB-CE1 3.78Å; N39-R77 PolarHBondContact ND2-O 3.47Å; N39-R77 PolarHBondContact OD1-O 2.87Å |
| 40 | Q | 91.3 | Very high | 78.2 | Confident | 207 Ų | 207 | 88 Ų | 88 | 97% | 0.967 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -13.9 | -179.9 | -70.4 | 174 | -28.7 | 0 | 0 | 115.1 | ||
| 41 | L | 89.1 | Confident | 80.9 | Confident | 69 Ų | 69 | 84.9 Ų | 84.9 | 36% | 0.361 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 5.5 | 175.5 | -57.2 | 171.5 | 0 | 0 | 0 | 112.2 | N39 R77 V78 | N39-L41 PolarHBondContact O-N 2.7Å; N39-L41 WeakPolarHBondContact OD1-CA 3.42Å; N39-L41 WeakPolarHBondContact OD1-CB 3.31Å; N39-L41 PolarHBondContact OD1-N 3.45Å; L41-R77 HydrophobicContact CB-CB 4.15Å; L41-R77 WeakPolarHBondContact O-CB 3.5Å; L41-R77 WeakPolarHBondContact O-CD 3.43Å; L41-R77 VanDerWaalsContact O-CG 3.24Å; L41-R77 WeakPolarHBondContact O-CG 3.45Å; L41-V78 WeakPolarHBondContact CD1-O 3.48Å |
| 42 | G | 88.8 | Confident | 83 | Confident | 30 Ų | 30 | 84.2 Ų | 84.2 | 31% | 0.309 | 49% | 0.487 | S | S | . | . | S | Bend | trans | 75.1 | 20.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | N39 R77 | N39-G42 PolarHBondContact O-N 2.91Å; N39-G42 PolarHBondContact OD1-N 3.06Å; G42-R77 VanDerWaalsContact O-CD 3.27Å; G42-R77 WeakPolarHBondContact O-CD 3.5Å; G42-R77 PolarHBondContact O-NH1 3.15Å |
| 43 | G | 90.8 | Very high | 85.2 | Confident | 9 Ų | 9 | 81.9 Ų | 81.9 | 9% | 0.093 | 47% | 0.468 | C | S | . | . | trans | -100.6 | 137.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N39 | N39-G43 PolarHBondContact N-O 3.4Å; N39-G43 PolarHBondContact ND2-O 2.59Å; N39-G43 PolarHBondContact OD1-N 3.13Å; N39-G43 VanDerWaalsContact OD1-N 3.08Å | ||
| 44 | V | 92.2 | Very high | 87.2 | Confident | 104 Ų | 104 | 83.2 Ų | 83.2 | 63% | 0.63 | 47% | 0.471 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 137 | -178.8 | -174 | 0 | 0 | 0 | 0 | 111 | R37 | R37-V44 CarbonylContact O-C 3.36Å; R37-V44 WeakPolarHBondContact O-CA 3.24Å |
| 45 | F | 92.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 81.1 Ų | 81.1 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 153.1 | 175.3 | 73.1 | -76.6 | 0 | 0 | 0 | 111.5 | R37 N39 | R37-F45 HydrophobicContact CB-CD1 4.4Å; R37-F45 HydrophobicContact CB-CE1 3.83Å; R37-F45 HydrophobicContact CB-CZ 3.91Å; R37-F45 PolarHBondContact N-O 3.04Å; R37-F45 WeakPolarHBondContact O-CD1 3.3Å; R37-F45 WeakPolarHBondContact O-CE1 3.27Å; R37-F45 PolarHBondContact O-N 3.28Å; N39-F45 HydrophobicContact CB-CD1 3.93Å; N39-F45 HydrophobicContact CB-CE1 3.78Å |
| 46 | I | 90.3 | Very high | 90.5 | Very high | 60 Ų | 60 | 77 Ų | 77 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.3 | 174.4 | -57.3 | 171.1 | 0 | 0 | 0 | 108.6 | Q35 R49 | Q35-I46 HydrophobicContact CB-CG2 4.22Å; I46-R49 HydrophobicContact CB-CB 4.16Å; I46-R49 HydrophobicContact CB-CG 4.37Å; I46-R49 HydrophobicContact CG2-CB 4.21Å; I46-R49 HydrophobicContact CG2-CG 3.89Å; I46-R49 PolarHBondContact O-N 2.92Å |
| 47 | N | 86.1 | Confident | 91.4 | Very high | 95 Ų | 95 | 80 Ų | 80 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 137.8 | 179.6 | -102.7 | -36.4 | 0 | 0 | 0 | 111.6 | R49 | N47-R49 PolarHBondContact O-N 3.5Š|
| 48 | G | 84.9 | Confident | 92 | Very high | 70 Ų | 70 | 76.4 Ų | 76.4 | 72% | 0.722 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | -19.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 49 | R | 89.4 | Confident | 92.2 | Very high | 151 Ų | 151 | 71.6 Ų | 71.6 | 57% | 0.57 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -86.7 | 153.2 | 175.7 | -64.3 | -165.1 | -175.5 | -153.4 | 0 | 111.5 | I46 N47 | I46-R49 HydrophobicContact CB-CB 4.16Å; I46-R49 HydrophobicContact CB-CG 4.37Å; I46-R49 HydrophobicContact CG2-CB 4.21Å; I46-R49 HydrophobicContact CG2-CG 3.89Å; I46-R49 PolarHBondContact O-N 2.92Å; N47-R49 PolarHBondContact O-N 3.5Å |
| 50 | P | 92.8 | Very high | 92.5 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 39% | 0.39 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 152.9 | 172.4 | 30.7 | -33.3 | 0 | 0 | 0 | 110.8 | P98 I101 | P50-P98 HydrophobicContact CB-CB 3.78Å; P50-P98 HydrophobicContact CB-CG 4.25Å; P50-P98 HydrophobicContact CG-CB 4.16Å; P50-P98 HydrophobicContact CG-CG 4.21Å; P50-I101 HydrophobicContact CB-CD1 4.06Å; P50-I101 HydrophobicContact CG-CD1 4.04Å |
| 51 | L | 93.3 | Very high | 92.8 | Very high | 32 Ų | 32 | 64.2 Ų | 64.2 | 17% | 0.168 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 142.5 | 172.9 | -166.4 | 69 | 0 | 0 | 0 | 110.7 | I55 R56 I59 V78 I86 | L51-I55 HydrophobicContact CD2-CB 4.13Å; L51-I55 HydrophobicContact CD2-CG2 3.64Å; L51-I55 HydrophobicContact CG-CB 4.13Å; L51-I55 HydrophobicContact CG-CG2 4.08Å; L51-R56 HydrophobicContact CB-CG 4.19Å; L51-R56 HydrophobicContact CD2-CG 4.36Å; L51-R56 WeakPolarHBondContact O-CD 3.47Å; L51-I59 HydrophobicContact CD2-CD1 3.82Å; L51-V78 HydrophobicContact CD1-CG2 4.39Å; L51-V78 HydrophobicContact CD2-CG1 3.92Å; L51-V78 HydrophobicContact CD2-CG2 3.99Å; L51-I86 HydrophobicContact CD2-CD1 3.81Å |
| 52 | P | 93.9 | Very high | 93.2 | Very high | 62 Ų | 62 | 61.3 Ų | 61.3 | 40% | 0.403 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 144.6 | -179.1 | -28.5 | 36.1 | 0 | 0 | 0 | 113.6 | H54 I55 R56 | P52-H54 PolarHBondContact O-N 3.25Å; P52-I55 HydrophobicContact CB-CG1 4.29Å; P52-I55 PolarHBondContact O-N 3.39Å; P52-I55 VanDerWaalsContact O-N 3.15Å; P52-R56 WeakPolarHBondContact O-CG 3.5Å; P52-R56 PolarHBondContact O-N 3.35Å |
| 53 | N | 93.9 | Very high | 93.6 | Very high | 82 Ų | 82 | 61.4 Ų | 61.4 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | -170.8 | 180 | -75.9 | 0 | 0 | 0 | 112.6 | I55 R56 H57 | N53-I55 PolarHBondContact O-N 3.37Å; N53-R56 WeakPolarHBondContact O-CA 3.21Å; N53-R56 WeakPolarHBondContact O-CB 3.37Å; N53-R56 PolarHBondContact O-N 2.73Å; N53-H57 PolarHBondContact O-CD2 3.48Å; N53-H57 PolarHBondContact O-N 2.69Å; N53-H57 PolarHBondContact OD1-CD2 3.41Å; N53-H57 PolarHBondContact OD1-NE2 3.43Å |
| 54 | H | 94.8 | Very high | 93.8 | Very high | 128 Ų | 128 | 67.4 Ų | 67.4 | 59% | 0.593 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.1 | -38.4 | 176.5 | 57.8 | -101.7 | 0 | 0 | 0 | 113.4 | P52 R56 H57 K58 | P52-H54 PolarHBondContact O-N 3.25Å; H54-R56 VanDerWaalsContact C-N 3.29Å; H54-R56 PolarHBondContact O-N 3.01Å; H54-H57 PolarHBondContact O-N 3.01Å; H54-K58 PolarHBondContact O-N 3.02Å |
| 55 | I | 95.6 | Very high | 94 | Very high | 41 Ų | 41 | 69 Ų | 69 | 21% | 0.21 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.1 | -34.3 | 174.6 | -52.3 | -63.8 | 0 | 0 | 0 | 110.7 | L51 P52 N53 K58 I59 L76 V78 | L51-I55 HydrophobicContact CD2-CB 4.13Å; L51-I55 HydrophobicContact CD2-CG2 3.64Å; L51-I55 HydrophobicContact CG-CB 4.13Å; L51-I55 HydrophobicContact CG-CG2 4.08Å; P52-I55 HydrophobicContact CB-CG1 4.29Å; P52-I55 PolarHBondContact O-N 3.39Å; P52-I55 VanDerWaalsContact O-N 3.15Å; N53-I55 PolarHBondContact O-N 3.37Å; I55-K58 PolarHBondContact O-N 3.27Å; I55-I59 HydrophobicContact CG2-CD1 4.17Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.48Å; I55-I59 PolarHBondContact O-N 2.93Å; I55-L76 HydrophobicContact CG2-CD1 4.41Å; I55-V78 HydrophobicContact CG2-CG2 3.65Å |
| 56 | R | 96.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 68.7 Ų | 68.7 | 8% | 0.075 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.2 | -38.2 | 178.1 | -62.9 | 170.2 | 62.7 | 116.3 | 8.5 | 112.1 | L51 P52 N53 H54 V60 I86 I96 R97 | L51-R56 HydrophobicContact CB-CG 4.19Å; L51-R56 HydrophobicContact CD2-CG 4.36Å; L51-R56 WeakPolarHBondContact O-CD 3.47Å; P52-R56 WeakPolarHBondContact O-CG 3.5Å; P52-R56 PolarHBondContact O-N 3.35Å; N53-R56 WeakPolarHBondContact O-CA 3.21Å; N53-R56 WeakPolarHBondContact O-CB 3.37Å; N53-R56 PolarHBondContact O-N 2.73Å; H54-R56 VanDerWaalsContact C-N 3.29Å; H54-R56 PolarHBondContact O-N 3.01Å; R56-V60 PolarHBondContact O-N 2.93Å; R56-I86 HydrophobicContact CG-CD1 4.06Å; R56-I96 PolarHBondContact NE-O 2.79Å; R56-I96 PolarHBondContact NH2-O 2.71Å; R56-R97 VanDerWaalsContact NH2-C 3.25Å; R56-R97 PolarHBondContact NH2-O 3.09Å; R56-R97 VanDerWaalsContact NH2-O 3.16Å |
| 57 | H | 96.3 | Very high | 94.5 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -57.3 | -54.9 | 165.2 | -83.9 | -92.2 | 0 | 0 | 0 | 110.3 | N53 H54 I59 V60 E61 I96 | N53-H57 PolarHBondContact O-CD2 3.48Å; N53-H57 PolarHBondContact O-N 2.69Å; N53-H57 PolarHBondContact OD1-CD2 3.41Å; N53-H57 PolarHBondContact OD1-NE2 3.43Å; H54-H57 PolarHBondContact O-N 3.01Å; H57-I59 VanDerWaalsContact C-N 3.26Å; H57-I59 PolarHBondContact O-N 3.2Å; H57-V60 PolarHBondContact O-N 2.98Å; H57-E61 WeakPolarHBondContact O-CB 3.36Å; H57-E61 PolarHBondContact O-N 2.85Å; H57-I96 WeakPolarHBondContact CE1-CD1 3.27Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å |
| 58 | K | 97.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 35% | 0.352 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -33.8 | -174.2 | -159.4 | 55 | 158 | -176.6 | 0 | 113.4 | H54 I55 E61 M62 L76 | H54-K58 PolarHBondContact O-N 3.02Å; I55-K58 PolarHBondContact O-N 3.27Å; K58-E61 WeakPolarHBondContact CD-OE2 3.36Å; K58-E61 IonicContact NZ-OE1 2.89Å; K58-E61 PolarHBondContact NZ-OE1 2.84Å; K58-E61 IonicContact NZ-OE2 2.66Å; K58-E61 PolarHBondContact NZ-OE2 3.5Å; K58-M62 HydrophobicContact CD-CG 4.36Å; K58-M62 HydrophobicContact CG-CG 4.34Å; K58-M62 HydrophobicContact CG-SD 4.13Å; K58-M62 VanDerWaalsContact O-CB 3.29Å; K58-M62 WeakPolarHBondContact O-CB 3.26Å; K58-M62 WeakPolarHBondContact O-CG 3.48Å; K58-M62 PolarHBondContact O-N 2.87Å; K58-L76 HydrophobicContact CB-CD1 4.06Å; K58-L76 HydrophobicContact CB-CD2 4.36Å; K58-L76 HydrophobicContact CG-CD1 4.12Å; K58-L76 HydrophobicContact CG-CD2 3.76Å |
| 59 | I | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 171.8 | -75.6 | 165.8 | 0 | 0 | 0 | 112 | L51 I55 H57 A63 I72 L76 V78 V83 I86 L87 | L51-I59 HydrophobicContact CD2-CD1 3.82Å; I55-I59 HydrophobicContact CG2-CD1 4.17Å; I55-I59 VanDerWaalsContact O-CG1 3.3Å; I55-I59 WeakPolarHBondContact O-CG1 3.48Å; I55-I59 PolarHBondContact O-N 2.93Å; H57-I59 VanDerWaalsContact C-N 3.26Å; H57-I59 PolarHBondContact O-N 3.2Å; I59-A63 PolarHBondContact O-N 3.46Å; I59-I72 HydrophobicContact CB-CG2 4.34Å; I59-I72 HydrophobicContact CG1-CG2 3.93Å; I59-I72 HydrophobicContact CG2-CG2 4.48Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.58Å; I59-V78 HydrophobicContact CD1-CG1 4.23Å; I59-V78 HydrophobicContact CD1-CG2 4.43Å; I59-V83 HydrophobicContact CD1-CG2 4.25Å; I59-V83 HydrophobicContact CG1-CG2 4.45Å; I59-V83 HydrophobicContact CG2-CG1 4.04Å; I59-I86 HydrophobicContact CB-CG2 4.38Å; I59-I86 HydrophobicContact CD1-CD1 3.57Å; I59-I86 HydrophobicContact CG2-CB 4.18Å; I59-I86 HydrophobicContact CG2-CG2 3.81Å; I59-L87 HydrophobicContact CG2-CD2 3.76Å; I59-L87 HydrophobicContact CG2-CG 3.88Å |
| 60 | V | 96.8 | Very high | 95.7 | Very high | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -74.4 | -44.7 | -179.6 | 170 | 0 | 0 | 0 | 0 | 111.1 | R56 H57 M62 A63 H64 I86 L87 Y90 I96 | R56-V60 PolarHBondContact O-N 2.93Å; H57-V60 PolarHBondContact O-N 2.98Å; V60-M62 PolarHBondContact O-N 3.22Å; V60-A63 PolarHBondContact O-N 3.01Å; V60-A63 VanDerWaalsContact O-N 3.07Å; V60-H64 PolarHBondContact O-CD2 2.77Å; V60-H64 PolarHBondContact O-N 3.41Å; V60-I86 HydrophobicContact CG2-CG2 4.31Å; V60-L87 HydrophobicContact CG2-CD2 4.18Å; V60-Y90 HydrophobicContact CG1-CD1 3.7Å; V60-Y90 HydrophobicContact CG1-CD2 4.05Å; V60-Y90 HydrophobicContact CG1-CE1 3.45Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.45Å; V60-Y90 HydrophobicContact CG1-CE2 3.83Å; V60-Y90 HydrophobicContact CG1-CG 4Å; V60-Y90 HydrophobicContact CG2-CD1 4.15Å; V60-Y90 HydrophobicContact CG2-CD2 4.01Å; V60-Y90 HydrophobicContact CG2-CG 3.79Å; V60-I96 HydrophobicContact CB-CG2 4.47Å; V60-I96 HydrophobicContact CG2-CG2 3.99Å |
| 61 | E | 97 | Very high | 95.9 | Very high | 80 Ų | 80 | 66.1 Ų | 66.1 | 37% | 0.374 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -54.3 | -50.2 | 176.4 | -170.1 | -145.9 | 116.4 | 0 | 0 | 111.2 | H57 K58 A63 H64 H65 | H57-E61 WeakPolarHBondContact O-CB 3.36Å; H57-E61 PolarHBondContact O-N 2.85Å; K58-E61 WeakPolarHBondContact CD-OE2 3.36Å; K58-E61 IonicContact NZ-OE1 2.89Å; K58-E61 PolarHBondContact NZ-OE1 2.84Å; K58-E61 IonicContact NZ-OE2 2.66Å; K58-E61 PolarHBondContact NZ-OE2 3.5Å; E61-A63 VanDerWaalsContact C-N 3.3Å; E61-A63 PolarHBondContact O-N 3.23Å; E61-H64 PolarHBondContact O-N 3.33Å; E61-H65 PolarHBondContact O-N 2.79Å; E61-H65 VanDerWaalsContact O-N 3.15Å; E61-H65 PolarHBondContact O-ND1 3.01Å |
| 62 | M | 97.3 | Very high | 96.1 | Very high | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.034 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 177 | -71.4 | 177.2 | 74.1 | 0 | 0 | 112.7 | K58 V60 H65 I67 I72 Q75 L76 | K58-M62 HydrophobicContact CD-CG 4.36Å; K58-M62 HydrophobicContact CG-CG 4.34Å; K58-M62 HydrophobicContact CG-SD 4.13Å; K58-M62 VanDerWaalsContact O-CB 3.29Å; K58-M62 WeakPolarHBondContact O-CB 3.26Å; K58-M62 WeakPolarHBondContact O-CG 3.48Å; K58-M62 PolarHBondContact O-N 2.87Å; V60-M62 PolarHBondContact O-N 3.22Å; M62-H65 CarbonylContact O-C 3.55Å; M62-H65 PolarHBondContact O-N 2.75Å; M62-I67 HydrophobicContact CB-CB 4.28Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.85Å; M62-I67 HydrophobicContact CE-CG2 4.09Å; M62-I67 HydrophobicContact CG-CD1 4.13Å; M62-I67 WeakPolarHBondContact O-CB 3.42Å; M62-I67 WeakPolarHBondContact O-CG1 3.35Å; M62-I67 PolarHBondContact O-N 2.75Å; M62-I72 HydrophobicContact CB-CD1 3.83Å; M62-I72 HydrophobicContact CB-CG1 3.85Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.08Å; M62-I72 HydrophobicContact SD-CG1 4.46Å; M62-I72 HydrophobicContact SD-CG2 4.22Å; M62-Q75 HydrophobicContact CE-CB 4.16Å; M62-Q75 HydrophobicContact CE-CG 4.18Å; M62-L76 HydrophobicContact SD-CD1 3.84Å; M62-L76 HydrophobicContact SD-CD2 3.98Å; M62-L76 HydrophobicContact SD-CG 3.87Å |
| 63 | A | 96.7 | Very high | 96.3 | Very high | 33 Ų | 33 | 62 Ų | 62 | 27% | 0.273 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.7 | -34 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | I59 V60 E61 H65 G66 I72 L87 | I59-A63 PolarHBondContact O-N 3.46Å; V60-A63 PolarHBondContact O-N 3.01Å; V60-A63 VanDerWaalsContact O-N 3.07Å; E61-A63 VanDerWaalsContact C-N 3.3Å; E61-A63 PolarHBondContact O-N 3.23Å; A63-H65 VanDerWaalsContact C-N 3.31Å; A63-G66 PolarHBondContact O-N 3.11Å; A63-I72 HydrophobicContact CB-CD1 3.95Å; A63-L87 HydrophobicContact CB-CD1 4.07Å; A63-L87 HydrophobicContact CB-CD2 3.48Å; A63-L87 VanDerWaalsContact CB-CD2 3.48Å; A63-L87 HydrophobicContact CB-CG 4.44Å |
| 64 | H | 95.6 | Very high | 96.4 | Very high | 134 Ų | 134 | 65.2 Ų | 65.2 | 62% | 0.62 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.5 | -36.1 | 170.3 | -91.4 | -99.2 | 0 | 0 | 0 | 112.2 | V60 E61 G66 Y90 | V60-H64 PolarHBondContact O-CD2 2.77Å; V60-H64 PolarHBondContact O-N 3.41Å; E61-H64 PolarHBondContact O-N 3.33Å; H64-G66 PolarHBondContact O-N 3.43Å; H64-Y90 AromaticContact NE2-CE1 3.5Å; H64-Y90 WeakPolarHBondContact NE2-CE1 3.42Å |
| 65 | H | 97 | Very high | 96.5 | Very high | 139 Ų | 139 | 65.3 Ų | 65.3 | 64% | 0.644 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 19.1 | 170.4 | -65.4 | 83.4 | 0 | 0 | 0 | 113.5 | E61 M62 A63 I67 | E61-H65 PolarHBondContact O-N 2.79Å; E61-H65 VanDerWaalsContact O-N 3.15Å; E61-H65 PolarHBondContact O-ND1 3.01Å; M62-H65 CarbonylContact O-C 3.55Å; M62-H65 PolarHBondContact O-N 2.75Å; A63-H65 VanDerWaalsContact C-N 3.31Å; H65-I67 HydrophobicContact CB-CD1 4.46Å; H65-I67 HydrophobicContact CB-CG1 4.32Å; H65-I67 PolarHBondContact O-N 3.25Å; H65-I67 VanDerWaalsContact O-N 3.15Å |
| 66 | G | 94.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 65.1 Ų | 65.1 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 5.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A63 H64 R68 | A63-G66 PolarHBondContact O-N 3.11Å; H64-G66 PolarHBondContact O-N 3.43Å; G66-R68 PolarHBondContact O-N 3.4Å |
| 67 | I | 96.9 | Very high | 96.5 | Very high | 53 Ų | 53 | 70.8 Ų | 70.8 | 27% | 0.272 | 35% | 0.346 | S | S | . | . | trans | -71 | 123.2 | -173.5 | -54.2 | 177.7 | 0 | 0 | 0 | 110 | M62 H65 V71 I72 | M62-I67 HydrophobicContact CB-CB 4.28Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.85Å; M62-I67 HydrophobicContact CE-CG2 4.09Å; M62-I67 HydrophobicContact CG-CD1 4.13Å; M62-I67 WeakPolarHBondContact O-CB 3.42Å; M62-I67 WeakPolarHBondContact O-CG1 3.35Å; M62-I67 PolarHBondContact O-N 2.75Å; H65-I67 HydrophobicContact CB-CD1 4.46Å; H65-I67 HydrophobicContact CB-CG1 4.32Å; H65-I67 PolarHBondContact O-N 3.25Å; H65-I67 VanDerWaalsContact O-N 3.15Å; I67-V71 HydrophobicContact CG2-CB 3.74Å; I67-V71 HydrophobicContact CG2-CG1 3.68Å; I67-I72 HydrophobicContact CB-CG1 4.19Å; I67-I72 HydrophobicContact CG2-CG1 3.9Å; I67-I72 VanDerWaalsContact O-CD1 3.29Å; I67-I72 WeakPolarHBondContact O-CD1 3.48Å | ||
| 68 | R | 95.8 | Very high | 96.5 | Very high | 183 Ų | 183 | 66.5 Ų | 66.5 | 69% | 0.691 | 33% | 0.327 | S | S | * | . | trans | -58.9 | 137.5 | -176.1 | -62.9 | 173.9 | 70.5 | -170.9 | 4.4 | 111.2 | G66 C70 V71 I72 | G66-R68 PolarHBondContact O-N 3.4Å; R68-C70 PolarHBondContact O-N 3.18Å; R68-V71 HydrophobicContact CB-CG2 4.37Å; R68-V71 WeakPolarHBondContact O-CA 3.41Å; R68-V71 WeakPolarHBondContact O-CB 3.06Å; R68-V71 PolarHBondContact O-N 3.13Å; R68-I72 PolarHBondContact O-N 2.97Å | ||
| 69 | P | 95 | Very high | 96.4 | Very high | 54 Ų | 54 | 65.7 Ų | 65.7 | 35% | 0.351 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -54.5 | -27.6 | -176.7 | -30.8 | 36.2 | 0 | 0 | 0 | 116.1 | S73 V83 L87 | P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.48Å; P69-S73 PolarHBondContact O-N 3.37Å; P69-V83 HydrophobicContact CB-CG1 4.15Å; P69-L87 HydrophobicContact CB-CD1 4.3Å; P69-L87 HydrophobicContact CG-CD1 3.93Å |
| 70 | C | 96 | Very high | 96.4 | Very high | 41 Ų | 41 | 70.4 Ų | 70.4 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -72.9 | -26 | 174.8 | 62.9 | 0 | 0 | 0 | 0 | 113.7 | R68 R74 | R68-C70 PolarHBondContact O-N 3.18Å; C70-R74 VanDerWaalsContact O-CZ 3.25Å; C70-R74 PolarHBondContact O-N 3.19Å; C70-R74 PolarHBondContact O-NE 3.16Å; C70-R74 PolarHBondContact O-NH1 3.01Å |
| 71 | V | 97 | Very high | 96.4 | Very high | 50 Ų | 50 | 72.3 Ų | 72.3 | 30% | 0.303 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77.6 | -47.7 | 172.1 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | I67 R68 S73 R74 Q75 | I67-V71 HydrophobicContact CG2-CB 3.74Å; I67-V71 HydrophobicContact CG2-CG1 3.68Å; R68-V71 HydrophobicContact CB-CG2 4.37Å; R68-V71 WeakPolarHBondContact O-CA 3.41Å; R68-V71 WeakPolarHBondContact O-CB 3.06Å; R68-V71 PolarHBondContact O-N 3.13Å; V71-S73 PolarHBondContact O-N 3.37Å; V71-R74 PolarHBondContact O-N 3.01Å; V71-Q75 WeakPolarHBondContact O-CB 3.27Å; V71-Q75 PolarHBondContact O-N 3.27Å |
| 72 | I | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -51.8 | -45.8 | 173.7 | -56.7 | -179.9 | 0 | 0 | 0 | 110.7 | I59 M62 A63 I67 R68 R74 Q75 L76 V83 | I59-I72 HydrophobicContact CB-CG2 4.34Å; I59-I72 HydrophobicContact CG1-CG2 3.93Å; I59-I72 HydrophobicContact CG2-CG2 4.48Å; M62-I72 HydrophobicContact CB-CD1 3.83Å; M62-I72 HydrophobicContact CB-CG1 3.85Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.08Å; M62-I72 HydrophobicContact SD-CG1 4.46Å; M62-I72 HydrophobicContact SD-CG2 4.22Å; A63-I72 HydrophobicContact CB-CD1 3.95Å; I67-I72 HydrophobicContact CB-CG1 4.19Å; I67-I72 HydrophobicContact CG2-CG1 3.9Å; I67-I72 VanDerWaalsContact O-CD1 3.29Å; I67-I72 WeakPolarHBondContact O-CD1 3.48Å; R68-I72 PolarHBondContact O-N 2.97Å; I72-R74 PolarHBondContact O-N 3.4Å; I72-Q75 PolarHBondContact O-N 3.44Å; I72-L76 HydrophobicContact CG2-CD1 3.76Å; I72-L76 HydrophobicContact CG2-CG 4.37Å; I72-L76 WeakPolarHBondContact O-CB 3.25Å; I72-L76 PolarHBondContact O-N 3.45Å; I72-V83 HydrophobicContact CB-CG1 4.14Å; I72-V83 HydrophobicContact CG2-CG1 3.93Å; I72-V83 HydrophobicContact CG2-CG2 4.35Å |
| 73 | S | 97.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 6% | 0.056 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.8 | -43.7 | 177.6 | -179.5 | 0 | 0 | 0 | 0 | 113.2 | P69 V71 R77 V78 H80 | P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.48Å; P69-S73 PolarHBondContact O-N 3.37Å; V71-S73 PolarHBondContact O-N 3.37Å; S73-R77 CarbonylContact O-C 3.57Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.46Å; S73-V78 CarbonylContact C-O 3.49Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.28Å; S73-V78 WeakPolarHBondContact CB-O 3.25Å; S73-V78 PolarHBondContact O-N 3.2Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.27Å; S73-H80 WeakPolarHBondContact OG-CA 3.24Å; S73-H80 PolarHBondContact OG-N 3.09Å |
| 74 | R | 96.6 | Very high | 96.3 | Very high | 150 Ų | 150 | 71.2 Ų | 71.2 | 57% | 0.566 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.5 | -48.4 | 177.9 | -72.1 | -176.2 | -68.6 | -98.6 | 2.5 | 112.1 | C70 V71 I72 R77 | C70-R74 VanDerWaalsContact O-CZ 3.25Å; C70-R74 PolarHBondContact O-N 3.19Å; C70-R74 PolarHBondContact O-NE 3.16Å; C70-R74 PolarHBondContact O-NH1 3.01Å; V71-R74 PolarHBondContact O-N 3.01Å; I72-R74 PolarHBondContact O-N 3.4Å; R74-R77 PolarHBondContact O-N 3.33Å; R74-R77 VanDerWaalsContact O-N 3.14Å |
| 75 | Q | 96.4 | Very high | 96.2 | Very high | 130 Ų | 130 | 72.1 Ų | 72.1 | 61% | 0.607 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | -174 | -174.9 | 169.3 | -5.4 | 0 | 0 | 112.6 | M62 V71 I72 R77 | M62-Q75 HydrophobicContact CE-CB 4.16Å; M62-Q75 HydrophobicContact CE-CG 4.18Å; V71-Q75 WeakPolarHBondContact O-CB 3.27Å; V71-Q75 PolarHBondContact O-N 3.27Å; I72-Q75 PolarHBondContact O-N 3.44Å; Q75-R77 VanDerWaalsContact C-N 3.3Å |
| 76 | L | 96.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 66 Ų | 66 | 19% | 0.194 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -0.5 | 175.7 | -55.7 | -179.1 | 0 | 0 | 0 | 113 | I55 K58 I59 M62 I72 V78 | I55-L76 HydrophobicContact CG2-CD1 4.41Å; K58-L76 HydrophobicContact CB-CD1 4.06Å; K58-L76 HydrophobicContact CB-CD2 4.36Å; K58-L76 HydrophobicContact CG-CD1 4.12Å; K58-L76 HydrophobicContact CG-CD2 3.76Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.58Å; M62-L76 HydrophobicContact SD-CD1 3.84Å; M62-L76 HydrophobicContact SD-CD2 3.98Å; M62-L76 HydrophobicContact SD-CG 3.87Å; I72-L76 HydrophobicContact CG2-CD1 3.76Å; I72-L76 HydrophobicContact CG2-CG 4.37Å; I72-L76 WeakPolarHBondContact O-CB 3.25Å; I72-L76 PolarHBondContact O-N 3.45Å; L76-V78 HydrophobicContact CB-CG2 3.96Å; L76-V78 WeakPolarHBondContact O-CG2 3.31Å; L76-V78 PolarHBondContact O-N 2.97Å; L76-V78 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 96.3 | Very high | 96.2 | Very high | 139 Ų | 139 | 64.6 Ų | 64.6 | 53% | 0.525 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 30.8 | -174.1 | -55.2 | -178.3 | 170.8 | -167.1 | -1.1 | 113.8 | N39 L41 G42 S73 R74 Q75 | N39-R77 PolarHBondContact ND2-O 3.47Å; N39-R77 PolarHBondContact OD1-O 2.87Å; L41-R77 HydrophobicContact CB-CB 4.15Å; L41-R77 WeakPolarHBondContact O-CB 3.5Å; L41-R77 WeakPolarHBondContact O-CD 3.43Å; L41-R77 VanDerWaalsContact O-CG 3.24Å; L41-R77 WeakPolarHBondContact O-CG 3.45Å; G42-R77 VanDerWaalsContact O-CD 3.27Å; G42-R77 WeakPolarHBondContact O-CD 3.5Å; G42-R77 PolarHBondContact O-NH1 3.15Å; S73-R77 CarbonylContact O-C 3.57Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.46Å; R74-R77 PolarHBondContact O-N 3.33Å; R74-R77 VanDerWaalsContact O-N 3.14Å; Q75-R77 VanDerWaalsContact C-N 3.3Å |
| 78 | V | 95.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 65.3 Ų | 65.3 | 5% | 0.048 | 34% | 0.335 | C | S | . | . | trans | -98.5 | 135.9 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 109.2 | L41 L51 I55 I59 S73 L76 H80 C82 V83 | L41-V78 WeakPolarHBondContact CD1-O 3.48Å; L51-V78 HydrophobicContact CD1-CG2 4.39Å; L51-V78 HydrophobicContact CD2-CG1 3.92Å; L51-V78 HydrophobicContact CD2-CG2 3.99Å; I55-V78 HydrophobicContact CG2-CG2 3.65Å; I59-V78 HydrophobicContact CD1-CG1 4.23Å; I59-V78 HydrophobicContact CD1-CG2 4.43Å; S73-V78 CarbonylContact C-O 3.49Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.28Å; S73-V78 WeakPolarHBondContact CB-O 3.25Å; S73-V78 PolarHBondContact O-N 3.2Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.27Å; L76-V78 HydrophobicContact CB-CG2 3.96Å; L76-V78 WeakPolarHBondContact O-CG2 3.31Å; L76-V78 PolarHBondContact O-N 2.97Å; L76-V78 VanDerWaalsContact O-N 3.15Å; V78-H80 PolarHBondContact O-N 2.8Å; V78-C82 HydrophobicContact CG1-CB 3.77Å; V78-V83 HydrophobicContact CB-CG2 3.98Å; V78-V83 HydrophobicContact CG1-CG2 3.81Å | ||
| 79 | S | 96.4 | Very high | 95.9 | Very high | 64 Ų | 64 | 60.8 Ų | 60.8 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | trans | -59.7 | 138.7 | 179.5 | 63.6 | 0 | 0 | 0 | 0 | 112.5 | G81 C82 V83 | S79-G81 VanDerWaalsContact C-N 3.28Å; S79-G81 PolarHBondContact O-N 2.96Å; S79-C82 WeakPolarHBondContact O-CA 3.48Å; S79-C82 VanDerWaalsContact O-CB 3.29Å; S79-C82 WeakPolarHBondContact O-CB 3.45Å; S79-C82 PolarHBondContact O-N 2.74Å; S79-V83 PolarHBondContact O-N 2.73Å; S79-V83 VanDerWaalsContact O-N 3.14Å | ||
| 80 | H | 96.7 | Very high | 95.9 | Very high | 100 Ų | 100 | 61.7 Ų | 61.7 | 46% | 0.463 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.7 | -40.1 | -173.6 | -176.7 | -112.9 | 0 | 0 | 0 | 113.4 | S73 V78 C82 V83 S84 | S73-H80 WeakPolarHBondContact OG-CA 3.24Å; S73-H80 PolarHBondContact OG-N 3.09Å; V78-H80 PolarHBondContact O-N 2.8Å; H80-C82 PolarHBondContact O-N 2.99Å; H80-V83 PolarHBondContact O-N 2.83Å; H80-S84 WeakPolarHBondContact O-CB 3.3Å; H80-S84 PolarHBondContact O-N 3.37Å |
| 81 | G | 95.8 | Very high | 95.7 | Very high | 49 Ų | 49 | 67.3 Ų | 67.3 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.4 | -10.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S79 K85 | S79-G81 VanDerWaalsContact C-N 3.28Å; S79-G81 PolarHBondContact O-N 2.96Å; G81-K85 WeakPolarHBondContact O-CB 3.24Å |
| 82 | C | 95 | Very high | 95.1 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -88.5 | -46.3 | 168.3 | -167.2 | 0 | 0 | 0 | 0 | 110.7 | V78 S79 H80 S84 K85 I86 | V78-C82 HydrophobicContact CG1-CB 3.77Å; S79-C82 WeakPolarHBondContact O-CA 3.48Å; S79-C82 VanDerWaalsContact O-CB 3.29Å; S79-C82 WeakPolarHBondContact O-CB 3.45Å; S79-C82 PolarHBondContact O-N 2.74Å; H80-C82 PolarHBondContact O-N 2.99Å; C82-S84 PolarHBondContact O-N 3.21Å; C82-K85 PolarHBondContact O-N 3.15Å; C82-K85 VanDerWaalsContact O-N 3.17Å; C82-I86 WeakPolarHBondContact O-CG1 2.88Å; C82-I86 PolarHBondContact O-N 2.96Å |
| 83 | V | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -53.9 | -54.7 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | I59 P69 I72 V78 S79 H80 K85 I86 L87 | I59-V83 HydrophobicContact CD1-CG2 4.25Å; I59-V83 HydrophobicContact CG1-CG2 4.45Å; I59-V83 HydrophobicContact CG2-CG1 4.04Å; P69-V83 HydrophobicContact CB-CG1 4.15Å; I72-V83 HydrophobicContact CB-CG1 4.14Å; I72-V83 HydrophobicContact CG2-CG1 3.93Å; I72-V83 HydrophobicContact CG2-CG2 4.35Å; V78-V83 HydrophobicContact CB-CG2 3.98Å; V78-V83 HydrophobicContact CG1-CG2 3.81Å; S79-V83 PolarHBondContact O-N 2.73Å; S79-V83 VanDerWaalsContact O-N 3.14Å; H80-V83 PolarHBondContact O-N 2.83Å; V83-K85 VanDerWaalsContact C-N 3.26Å; V83-K85 PolarHBondContact O-N 2.87Å; V83-I86 PolarHBondContact O-N 3.25Å; V83-I86 VanDerWaalsContact O-N 3.13Å; V83-L87 HydrophobicContact CG1-CD1 3.95Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 2.98Å |
| 84 | S | 96.7 | Very high | 94.2 | Very high | 63 Ų | 63 | 75.4 Ų | 75.4 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56 | -38.2 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 113 | H80 C82 C88 | H80-S84 WeakPolarHBondContact O-CB 3.3Å; H80-S84 PolarHBondContact O-N 3.37Å; C82-S84 PolarHBondContact O-N 3.21Å; S84-C88 WeakPolarHBondContact O-CB 3.49Å; S84-C88 PolarHBondContact O-N 3.36Å |
| 85 | K | 95.3 | Very high | 93.8 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 66% | 0.661 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.9 | -34.4 | 179.4 | -173.7 | -175.7 | -59.6 | 173.4 | 0 | 112.9 | G81 C82 V83 R89 | G81-K85 WeakPolarHBondContact O-CB 3.24Å; C82-K85 PolarHBondContact O-N 3.15Å; C82-K85 VanDerWaalsContact O-N 3.17Å; V83-K85 VanDerWaalsContact C-N 3.26Å; V83-K85 PolarHBondContact O-N 2.87Å; K85-R89 WeakPolarHBondContact O-CB 3.08Å; K85-R89 PolarHBondContact O-N 2.92Å |
| 86 | I | 95.5 | Very high | 93.5 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.1 | -48.3 | 175.7 | -70.5 | 161.5 | 0 | 0 | 0 | 109.8 | L51 R56 I59 V60 C82 V83 R89 Y90 | L51-I86 HydrophobicContact CD2-CD1 3.81Å; R56-I86 HydrophobicContact CG-CD1 4.06Å; I59-I86 HydrophobicContact CB-CG2 4.38Å; I59-I86 HydrophobicContact CD1-CD1 3.57Å; I59-I86 HydrophobicContact CG2-CB 4.18Å; I59-I86 HydrophobicContact CG2-CG2 3.81Å; V60-I86 HydrophobicContact CG2-CG2 4.31Å; C82-I86 WeakPolarHBondContact O-CG1 2.88Å; C82-I86 PolarHBondContact O-N 2.96Å; V83-I86 PolarHBondContact O-N 3.25Å; V83-I86 VanDerWaalsContact O-N 3.13Å; I86-R89 PolarHBondContact O-N 2.98Å; I86-Y90 WeakPolarHBondContact O-CB 3.48Å; I86-Y90 PolarHBondContact O-N 3.07Å |
| 87 | L | 95.8 | Very high | 93.1 | Very high | 31 Ų | 31 | 71.9 Ų | 71.9 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 178 | -65 | 177.5 | 0 | 0 | 0 | 112.3 | I59 V60 A63 P69 V83 R89 Y90 Q91 | I59-L87 HydrophobicContact CG2-CD2 3.76Å; I59-L87 HydrophobicContact CG2-CG 3.88Å; V60-L87 HydrophobicContact CG2-CD2 4.18Å; A63-L87 HydrophobicContact CB-CD1 4.07Å; A63-L87 HydrophobicContact CB-CD2 3.48Å; A63-L87 VanDerWaalsContact CB-CD2 3.48Å; A63-L87 HydrophobicContact CB-CG 4.44Å; P69-L87 HydrophobicContact CB-CD1 4.3Å; P69-L87 HydrophobicContact CG-CD1 3.93Å; V83-L87 HydrophobicContact CG1-CD1 3.95Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 WeakPolarHBondContact O-CG 3.5Å; V83-L87 PolarHBondContact O-N 2.98Å; L87-R89 PolarHBondContact O-N 3.26Å; L87-Y90 PolarHBondContact O-N 3.45Å; L87-Q91 PolarHBondContact O-N 2.86Å |
| 88 | C | 94.3 | Very high | 92.7 | Very high | 68 Ų | 68 | 67.6 Ų | 67.6 | 46% | 0.459 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 111.9 | S84 Y90 Q91 E92 | S84-C88 WeakPolarHBondContact O-CB 3.49Å; S84-C88 PolarHBondContact O-N 3.36Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 3.49Å; C88-Q91 PolarHBondContact O-N 2.83Å; C88-E92 WeakPolarHBondContact O-CG 3.41Å; C88-E92 PolarHBondContact O-N 2.91Å |
| 89 | R | 91.9 | Very high | 92 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 33% | 0.328 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 174.5 | 178.4 | -175.7 | 175.9 | 83.8 | -0.2 | 112.4 | K85 I86 L87 E92 T93 R97 | K85-R89 WeakPolarHBondContact O-CB 3.08Å; K85-R89 PolarHBondContact O-N 2.92Å; I86-R89 PolarHBondContact O-N 2.98Å; L87-R89 PolarHBondContact O-N 3.26Å; R89-E92 PolarHBondContact O-N 3.32Å; R89-T93 PolarHBondContact O-N 2.7Å; R89-T93 PolarHBondContact O-OG1 2.63Å; R89-R97 PolarHBondContact NE-O 3Å; R89-R97 PolarHBondContact NH2-O 2.79Å; R89-R97 VanDerWaalsContact NH2-O 3.13Å |
| 90 | Y | 93.8 | Very high | 91.2 | Very high | 73 Ų | 73 | 71 Ų | 71 | 29% | 0.286 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 177.6 | -176.3 | -103.1 | 0 | 0 | 0 | 110.7 | V60 H64 I86 L87 C88 E92 T93 G94 I96 | V60-Y90 HydrophobicContact CG1-CD1 3.7Å; V60-Y90 HydrophobicContact CG1-CD2 4.05Å; V60-Y90 HydrophobicContact CG1-CE1 3.45Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.45Å; V60-Y90 HydrophobicContact CG1-CE2 3.83Å; V60-Y90 HydrophobicContact CG1-CG 4Å; V60-Y90 HydrophobicContact CG2-CD1 4.15Å; V60-Y90 HydrophobicContact CG2-CD2 4.01Å; V60-Y90 HydrophobicContact CG2-CG 3.79Å; H64-Y90 AromaticContact NE2-CE1 3.5Å; H64-Y90 WeakPolarHBondContact NE2-CE1 3.42Å; I86-Y90 WeakPolarHBondContact O-CB 3.48Å; I86-Y90 PolarHBondContact O-N 3.07Å; L87-Y90 PolarHBondContact O-N 3.45Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 3.49Å; Y90-E92 VanDerWaalsContact C-N 3.31Å; Y90-E92 PolarHBondContact O-N 3.37Å; Y90-T93 PolarHBondContact O-N 2.67Å; Y90-G94 VanDerWaalsContact CD2-O 3.29Å; Y90-G94 WeakPolarHBondContact CD2-O 3.47Å; Y90-G94 WeakPolarHBondContact CE2-O 3.39Å; Y90-G94 VanDerWaalsContact O-CA 3.31Å; Y90-G94 WeakPolarHBondContact O-CA 3.32Å; Y90-G94 PolarHBondContact O-N 3.33Å; Y90-I96 HydrophobicContact CD2-CG2 3.77Å; Y90-I96 HydrophobicContact CE2-CG2 3.99Å |
| 91 | Q | 91.7 | Very high | 89.8 | Confident | 160 Ų | 160 | 71.7 Ų | 71.7 | 75% | 0.748 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -62.1 | -34.1 | 172.7 | -159.8 | 80.8 | 75.6 | 0 | 0 | 113.2 | L87 C88 | L87-Q91 PolarHBondContact O-N 2.86Å; C88-Q91 PolarHBondContact O-N 2.83Å |
| 92 | E | 84.4 | Confident | 87.8 | Confident | 97 Ų | 97 | 72.5 Ų | 72.5 | 45% | 0.453 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -76.1 | -26.2 | 178 | -76.4 | -177.4 | 162.8 | 0 | 0 | 114.2 | C88 R89 Y90 R221 | C88-E92 WeakPolarHBondContact O-CG 3.41Å; C88-E92 PolarHBondContact O-N 2.91Å; R89-E92 PolarHBondContact O-N 3.32Å; Y90-E92 VanDerWaalsContact C-N 3.31Å; Y90-E92 PolarHBondContact O-N 3.37Å; E92-R221 WeakPolarHBondContact OE1-CD 3.42Å |
| 93 | T | 87.9 | Confident | 86.1 | Confident | 80 Ų | 80 | 74.6 Ų | 74.6 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -144.4 | -4.9 | -164.2 | 65.5 | 0 | 0 | 0 | 0 | 116.7 | R89 Y90 S95 | R89-T93 PolarHBondContact O-N 2.7Å; R89-T93 PolarHBondContact O-OG1 2.63Å; Y90-T93 PolarHBondContact O-N 2.67Å; T93-S95 PolarHBondContact O-N 2.97Å; T93-S95 PolarHBondContact OG1-N 2.8Å |
| 94 | G | 88.9 | Confident | 84.2 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 52% | 0.515 | 48% | 0.479 | S | S | . | . | S | Bend | trans | 62.3 | -7.9 | -165.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y90 I96 | Y90-G94 VanDerWaalsContact CD2-O 3.29Å; Y90-G94 WeakPolarHBondContact CD2-O 3.47Å; Y90-G94 WeakPolarHBondContact CE2-O 3.39Å; Y90-G94 VanDerWaalsContact O-CA 3.31Å; Y90-G94 WeakPolarHBondContact O-CA 3.32Å; Y90-G94 PolarHBondContact O-N 3.33Å; G94-I96 PolarHBondContact O-N 3.1Å |
| 95 | S | 87.8 | Confident | 82.3 | Confident | 41 Ų | 41 | 85.2 Ų | 85.2 | 29% | 0.287 | 50% | 0.496 | S | S | . | . | trans | -97.5 | 104.2 | -165.2 | -163.1 | 0 | 0 | 0 | 0 | 113.1 | T93 R97 | T93-S95 PolarHBondContact O-N 2.97Å; T93-S95 PolarHBondContact OG1-N 2.8Å; S95-R97 PolarHBondContact O-N 3.27Å | ||
| 96 | I | 89.4 | Confident | 80.3 | Confident | 32 Ų | 32 | 83.4 Ų | 83.4 | 16% | 0.164 | 50% | 0.5 | C | S | . | . | trans | -60.5 | -16.5 | 167.8 | 55.4 | 162 | 0 | 0 | 0 | 113.8 | R56 H57 V60 Y90 G94 | R56-I96 PolarHBondContact NE-O 2.79Å; R56-I96 PolarHBondContact NH2-O 2.71Å; H57-I96 WeakPolarHBondContact CE1-CD1 3.27Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å; V60-I96 HydrophobicContact CB-CG2 4.47Å; V60-I96 HydrophobicContact CG2-CG2 3.99Å; Y90-I96 HydrophobicContact CD2-CG2 3.77Å; Y90-I96 HydrophobicContact CE2-CG2 3.99Å; G94-I96 PolarHBondContact O-N 3.1Å | ||
| 97 | R | 88.9 | Confident | 78.3 | Confident | 170 Ų | 170 | 93.1 Ų | 93.1 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -70.3 | 145.2 | -175.2 | -61.1 | -178.5 | 82 | -121.5 | 9.3 | 111.2 | R56 R89 S95 | R56-R97 VanDerWaalsContact NH2-C 3.25Å; R56-R97 PolarHBondContact NH2-O 3.09Å; R56-R97 VanDerWaalsContact NH2-O 3.16Å; R89-R97 PolarHBondContact NE-O 3Å; R89-R97 PolarHBondContact NH2-O 2.79Å; R89-R97 VanDerWaalsContact NH2-O 3.13Å; S95-R97 PolarHBondContact O-N 3.27Å |
| 98 | P | 87.3 | Confident | 76.4 | Confident | 49 Ų | 49 | 99.4 Ų | 99.4 | 32% | 0.318 | 56% | 0.564 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 151 | 168.1 | 26.3 | -33.4 | 0 | 0 | 0 | 110.4 | P50 | P50-P98 HydrophobicContact CB-CB 3.78Å; P50-P98 HydrophobicContact CB-CG 4.25Å; P50-P98 HydrophobicContact CG-CB 4.16Å; P50-P98 HydrophobicContact CG-CG 4.21Å |
| 99 | G | 82.6 | Confident | 74.5 | Confident | 36 Ų | 36 | 98.1 Ų | 98.1 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -68.3 | 163 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I101 | G99-I101 PolarHBondContact O-N 3.05Š|
| 100 | A | 77.9 | Confident | 72.9 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 88% | 0.884 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 133.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 101 | I | 67.8 | Low | 71.9 | Confident | 115 Ų | 115 | 94.4 Ų | 94.4 | 59% | 0.59 | 55% | 0.55 | S | S | * | * | trans | -117.9 | 116 | 178.6 | -67.2 | 164.6 | 0 | 0 | 0 | 106.5 | P50 G99 | P50-I101 HydrophobicContact CB-CD1 4.06Å; P50-I101 HydrophobicContact CG-CD1 4.04Å; G99-I101 PolarHBondContact O-N 3.05Å | ||
| 102 | G | 54.9 | Low | 71.1 | Confident | 66 Ų | 66 | 90.9 Ų | 90.9 | 68% | 0.68 | 54% | 0.541 | S | S | * | . | trans | 83.6 | -174.5 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 103 | G | 59.5 | Low | 70.7 | Confident | 78 Ų | 78 | 91.5 Ų | 91.5 | 80% | 0.804 | 55% | 0.548 | S | S | * | . | trans | 81.6 | 128.6 | -153.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 104 | S | 56.2 | Low | 70.4 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 72% | 0.72 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 157.5 | 154 | 57.6 | 0 | 0 | 0 | 0 | 107.7 | ||
| 105 | K | 55.7 | Low | 70.1 | Confident | 183 Ų | 183 | 89.4 Ų | 89.4 | 80% | 0.796 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -49.3 | 146.1 | 148.7 | -67.3 | -177.1 | 177 | -174.9 | 0 | 106.7 | R107 | K105-R107 PolarHBondContact O-N 3.11Š|
| 106 | P | 54.6 | Low | 70 | Confident | 114 Ų | 114 | 94 Ų | 94 | 74% | 0.74 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -46.8 | 123.1 | 160.8 | -23.5 | 33.8 | 0 | 0 | 0 | 106.7 | Q108 | P106-Q108 PolarHBondContact O-N 3.39Š|
| 107 | R | 52.9 | Low | 69.7 | Low | 216 Ų | 216 | 95.5 Ų | 95.5 | 82% | 0.815 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 136.4 | 159.3 | -73.8 | -177.1 | -177 | -113.3 | 5.3 | 103.9 | K105 V109 | K105-R107 PolarHBondContact O-N 3.11Å; R107-V109 HydrophobicContact CB-CG2 3.76Å; R107-V109 PolarHBondContact O-N 3.42Å |
| 108 | Q | 55.2 | Low | 69.5 | Low | 163 Ų | 163 | 87.4 Ų | 87.4 | 76% | 0.762 | 51% | 0.507 | S | S | * | . | trans | -73.8 | 67.6 | 175 | -70.4 | 161.3 | -98.7 | 0 | 0 | 106.7 | P106 A110 | P106-Q108 PolarHBondContact O-N 3.39Å; Q108-A110 VanDerWaalsContact C-N 3.31Å; Q108-A110 CarbonylContact C-O 3.46Å | ||
| 109 | V | 54.9 | Low | 69.5 | Low | 41 Ų | 41 | 86.9 Ų | 86.9 | 25% | 0.248 | 50% | 0.5 | C | S | . | . | S | Bend | trans | -63.6 | -46.4 | -174.4 | 176.1 | 0 | 0 | 0 | 0 | 107.2 | R107 A153 S158 | R107-V109 HydrophobicContact CB-CG2 3.76Å; R107-V109 PolarHBondContact O-N 3.42Å; V109-A153 WeakPolarHBondContact O-CA 3.35Å; V109-A153 WeakPolarHBondContact O-CB 3.16Å; V109-A153 PolarHBondContact O-N 3.13Å; V109-S158 WeakPolarHBondContact CG1-OG 3.44Å |
| 110 | A | 59 | Low | 69.8 | Low | 14 Ų | 14 | 87.5 Ų | 87.5 | 12% | 0.116 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -101.2 | 144.3 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q108 V114 E115 A153 | Q108-A110 VanDerWaalsContact C-N 3.31Å; Q108-A110 CarbonylContact C-O 3.46Å; A110-V114 HydrophobicContact CB-CB 4.42Å; A110-V114 HydrophobicContact CB-CG1 4.45Å; A110-E115 HydrophobicContact CB-CG 3.44Å; A110-E115 VanDerWaalsContact CB-CG 3.44Å; A110-A153 HydrophobicContact CB-CB 4.16Å |
| 111 | T | 71.8 | Confident | 70.2 | Confident | 67 Ų | 67 | 82.4 Ų | 82.4 | 41% | 0.411 | 45% | 0.451 | S | S | . | . | trans | -71.4 | 150.2 | 155.4 | 45.7 | 0 | 0 | 0 | 0 | 108.9 | D113 V114 E115 | T111-D113 PolarHBondContact O-N 2.91Å; T111-D113 VanDerWaalsContact O-N 3.13Å; T111-V114 PolarHBondContact O-N 3.49Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.26Å; T111-E115 PolarHBondContact O-N 3.29Å | ||
| 112 | P | 75.6 | Confident | 71 | Confident | 86 Ų | 86 | 78.9 Ų | 78.9 | 56% | 0.558 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60 | -27.1 | -177.4 | 25.1 | -34.7 | 0 | 0 | 0 | 112.7 | E115 K116 | P112-E115 PolarHBondContact O-N 2.78Å; P112-K116 WeakPolarHBondContact O-CB 3.33Å; P112-K116 PolarHBondContact O-N 3.38Å |
| 113 | D | 75.6 | Confident | 72.6 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 59% | 0.594 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.8 | -36.7 | 176.3 | -47.4 | -79.4 | 0 | 0 | 0 | 112.4 | T111 R117 | T111-D113 PolarHBondContact O-N 2.91Å; T111-D113 VanDerWaalsContact O-N 3.13Å; D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 PolarHBondContact O-N 2.93Å |
| 114 | V | 81.6 | Confident | 73.9 | Confident | 4 Ų | 4 | 83.7 Ų | 83.7 | 2% | 0.024 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.8 | -41 | 173.6 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A110 T111 K116 R117 I118 L137 V142 A153 | A110-V114 HydrophobicContact CB-CB 4.42Å; A110-V114 HydrophobicContact CB-CG1 4.45Å; T111-V114 PolarHBondContact O-N 3.49Å; T111-V114 VanDerWaalsContact OG1-CG2 3.27Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.26Å; V114-K116 PolarHBondContact O-N 3.02Å; V114-R117 PolarHBondContact O-N 3.32Å; V114-I118 HydrophobicContact CG1-CD1 3.88Å; V114-I118 HydrophobicContact CG1-CG1 4.42Å; V114-I118 WeakPolarHBondContact O-CD1 3.08Å; V114-I118 VanDerWaalsContact O-CG1 3.25Å; V114-I118 WeakPolarHBondContact O-CG1 3.09Å; V114-I118 PolarHBondContact O-N 3.21Å; V114-L137 HydrophobicContact CG1-CD1 4.06Å; V114-L137 HydrophobicContact CG1-CD2 4.36Å; V114-V142 HydrophobicContact CG2-CG1 4.12Å; V114-A153 HydrophobicContact CB-CB 4.47Å; V114-A153 HydrophobicContact CG1-CB 4.02Å; V114-A153 HydrophobicContact CG2-CB 4.44Å |
| 115 | E | 83.3 | Confident | 75.1 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 38% | 0.379 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.5 | -59.9 | -168.6 | 142.8 | 0 | 0 | 111.3 | A110 T111 P112 R117 I118 E119 V162 | A110-E115 HydrophobicContact CB-CG 3.44Å; A110-E115 VanDerWaalsContact CB-CG 3.44Å; T111-E115 PolarHBondContact O-N 3.29Å; P112-E115 PolarHBondContact O-N 2.78Å; E115-R117 VanDerWaalsContact C-N 3.35Å; E115-R117 PolarHBondContact O-N 3.4Å; E115-I118 WeakPolarHBondContact O-CB 3.38Å; E115-I118 PolarHBondContact O-N 3.31Å; E115-E119 WeakPolarHBondContact O-CG 3.31Å; E115-E119 PolarHBondContact O-N 3.44Å; E115-V162 HydrophobicContact CG-CG2 4.26Å |
| 116 | K | 84.7 | Confident | 76.4 | Confident | 137 Ų | 137 | 78.4 Ų | 78.4 | 60% | 0.596 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -57.9 | -42.8 | 174.9 | -177.2 | -172.9 | 174.3 | -168.5 | 0 | 112.4 | P112 V114 E119 E120 | P112-K116 WeakPolarHBondContact O-CB 3.33Å; P112-K116 PolarHBondContact O-N 3.38Å; V114-K116 PolarHBondContact O-N 3.02Å; K116-E119 PolarHBondContact O-N 3.18Å; K116-E120 WeakPolarHBondContact O-CB 3.42Å; K116-E120 PolarHBondContact O-N 3.13Å |
| 117 | R | 83.5 | Confident | 77.8 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 24% | 0.242 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -73.5 | -31.7 | 179.9 | -163 | 70.4 | 169.8 | 155.4 | 1.7 | 112.6 | D113 V114 E115 E120 Y121 L137 D140 V142 | D113-R117 WeakPolarHBondContact O-CB 3.48Å; D113-R117 PolarHBondContact O-N 2.93Å; V114-R117 PolarHBondContact O-N 3.32Å; E115-R117 VanDerWaalsContact C-N 3.35Å; E115-R117 PolarHBondContact O-N 3.4Å; R117-E120 WeakPolarHBondContact CD-OE2 3.43Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.72Å; R117-E120 IonicContact NH1-OE2 3.9Å; R117-E120 PolarHBondContact NH1-OE2 3.12Å; R117-E120 PolarHBondContact O-N 2.99Å; R117-Y121 HydrophobicContact CG-CD1 4.45Å; R117-Y121 HydrophobicContact CG-CE1 3.82Å; R117-Y121 HydrophobicContact CG-CE2 3.87Å; R117-Y121 VanDerWaalsContact CG-CZ 3.47Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 2.92Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.47Å; R117-L137 HydrophobicContact CB-CD2 3.85Å; R117-L137 HydrophobicContact CG-CD2 3.82Å; R117-D140 IonicContact CZ-OD2 2.7Å; R117-D140 IonicContact NE-OD2 3.19Å; R117-D140 IonicContact NH2-OD2 2.81Å; R117-D140 PolarHBondContact NH2-OD2 2.93Å; R117-V142 HydrophobicContact CB-CG1 4.25Å; R117-V142 HydrophobicContact CG-CG1 4.36Å; R117-V142 HydrophobicContact CG-CG2 4.26Å |
| 118 | I | 86.1 | Confident | 79.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 169.3 | -70.2 | 162.1 | 0 | 0 | 0 | 110.8 | V114 E115 E120 Y121 K122 I133 L137 I159 V162 L163 | V114-I118 HydrophobicContact CG1-CD1 3.88Å; V114-I118 HydrophobicContact CG1-CG1 4.42Å; V114-I118 WeakPolarHBondContact O-CD1 3.08Å; V114-I118 VanDerWaalsContact O-CG1 3.25Å; V114-I118 WeakPolarHBondContact O-CG1 3.09Å; V114-I118 PolarHBondContact O-N 3.21Å; E115-I118 WeakPolarHBondContact O-CB 3.38Å; E115-I118 PolarHBondContact O-N 3.31Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.01Å; I118-Y121 PolarHBondContact O-N 3.06Å; I118-K122 PolarHBondContact O-N 3.07Å; I118-K122 VanDerWaalsContact O-N 3.1Å; I118-I133 HydrophobicContact CB-CG2 4.32Å; I118-I133 HydrophobicContact CG1-CG2 3.88Å; I118-I133 HydrophobicContact CG2-CG2 4.23Å; I118-L137 HydrophobicContact CD1-CD1 4.32Å; I118-L137 HydrophobicContact CG1-CD1 3.85Å; I118-I159 HydrophobicContact CD1-CB 4.47Å; I118-I159 HydrophobicContact CD1-CG1 3.84Å; I118-I159 HydrophobicContact CG1-CG1 4.33Å; I118-I159 HydrophobicContact CG2-CG2 4.2Å; I118-V162 HydrophobicContact CB-CG1 4.46Å; I118-V162 HydrophobicContact CD1-CG2 4.48Å; I118-V162 HydrophobicContact CG2-CB 4.43Å; I118-V162 HydrophobicContact CG2-CG1 3.97Å; I118-L163 HydrophobicContact CG2-CD2 3.86Å; I118-L163 HydrophobicContact CG2-CG 4.22Å |
| 119 | E | 86.9 | Confident | 80.7 | Confident | 37 Ų | 37 | 65.4 Ų | 65.4 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.8 | -72.5 | 171.9 | -162.1 | 0 | 0 | 112.1 | E115 K116 K122 R123 R166 F167 | E115-E119 WeakPolarHBondContact O-CG 3.31Å; E115-E119 PolarHBondContact O-N 3.44Å; K116-E119 PolarHBondContact O-N 3.18Å; E119-K122 PolarHBondContact O-N 3.19Å; E119-R123 VanDerWaalsContact O-CB 3.24Å; E119-R123 WeakPolarHBondContact O-CB 3.5Å; E119-R123 PolarHBondContact O-N 2.7Å; E119-R166 IonicContact OE1-CZ 3.3Å; E119-R166 IonicContact OE1-NE 3.16Å; E119-R166 PolarHBondContact OE1-NE 2.96Å; E119-R166 IonicContact OE1-NH2 3.75Å; E119-R166 PolarHBondContact OE1-NH2 2.96Å; E119-R166 IonicContact OE2-NH2 3.99Å; E119-R166 PolarHBondContact OE2-NH2 3.42Å; E119-F167 HydrophobicContact CG-CE2 4.3Å |
| 120 | E | 87.6 | Confident | 82.1 | Confident | 49 Ų | 49 | 64.5 Ų | 64.5 | 23% | 0.229 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -48.4 | 177.9 | -174.9 | 153 | -104.6 | 0 | 0 | 112.3 | K116 R117 I118 K122 R123 E124 | K116-E120 WeakPolarHBondContact O-CB 3.42Å; K116-E120 PolarHBondContact O-N 3.13Å; R117-E120 WeakPolarHBondContact CD-OE2 3.43Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.72Å; R117-E120 IonicContact NH1-OE2 3.9Å; R117-E120 PolarHBondContact NH1-OE2 3.12Å; R117-E120 PolarHBondContact O-N 2.99Å; I118-E120 VanDerWaalsContact C-N 3.32Å; I118-E120 PolarHBondContact O-N 3.01Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.36Å; E120-R123 PolarHBondContact O-N 3.14Å; E120-R123 IonicContact OE1-NH2 2.61Å; E120-R123 PolarHBondContact OE1-NH2 3.13Å; E120-E124 WeakPolarHBondContact O-CB 3.12Å; E120-E124 VanDerWaalsContact O-CG 3.31Å; E120-E124 WeakPolarHBondContact O-CG 3.29Å; E120-E124 PolarHBondContact O-N 2.76Å |
| 121 | Y | 86.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 176.7 | -64.1 | -16.6 | 0 | 0 | 0 | 113.1 | R117 I118 N125 I133 K136 L137 D140 | R117-Y121 HydrophobicContact CG-CD1 4.45Å; R117-Y121 HydrophobicContact CG-CE1 3.82Å; R117-Y121 HydrophobicContact CG-CE2 3.87Å; R117-Y121 VanDerWaalsContact CG-CZ 3.47Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 2.92Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.47Å; I118-Y121 PolarHBondContact O-N 3.06Å; Y121-N125 PolarHBondContact O-N 3.15Å; Y121-I133 HydrophobicContact CD2-CG2 4.23Å; Y121-K136 HydrophobicContact CD1-CD 3.66Å; Y121-K136 VanDerWaalsContact CD1-CE 3.48Å; Y121-K136 HydrophobicContact CD1-CG 4.4Å; Y121-K136 VanDerWaalsContact CD1-NZ 3.32Å; Y121-K136 HydrophobicContact CD2-CB 3.92Å; Y121-K136 HydrophobicContact CD2-CD 3.86Å; Y121-K136 HydrophobicContact CD2-CG 4.06Å; Y121-K136 HydrophobicContact CE1-CD 3.63Å; Y121-K136 HydrophobicContact CE1-CG 3.95Å; Y121-K136 HydrophobicContact CE2-CB 3.59Å; Y121-K136 HydrophobicContact CE2-CD 3.86Å; Y121-K136 HydrophobicContact CE2-CG 3.61Å; Y121-K136 HydrophobicContact CG-CD 3.77Å; Y121-K136 HydrophobicContact CG-CG 4.45Å; Y121-K136 PolarHBondContact OH-O 3.37Å; Y121-L137 HydrophobicContact CD2-CG 4.48Å; Y121-L137 HydrophobicContact CE2-CD2 3.94Å; Y121-L137 HydrophobicContact CE2-CG 3.94Å; Y121-D140 WeakPolarHBondContact OH-CB 3.32Å; Y121-D140 VanDerWaalsContact OH-CG 3.22Å; Y121-D140 PolarHBondContact OH-OD2 3.45Å |
| 122 | K | 85.5 | Confident | 84 | Confident | 42 Ų | 42 | 70.4 Ų | 70.4 | 18% | 0.183 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.3 | -31.3 | 176.6 | -167.3 | 62.5 | 162.3 | 174.4 | 0 | 112.7 | I118 E119 E120 N125 P126 M128 I133 L163 F167 | I118-K122 PolarHBondContact O-N 3.07Å; I118-K122 VanDerWaalsContact O-N 3.1Å; E119-K122 PolarHBondContact O-N 3.19Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.36Å; K122-N125 CarbonylContact O-C 3.21Å; K122-P126 VanDerWaalsContact CE-O 3.27Å; K122-P126 WeakPolarHBondContact CE-O 3.45Å; K122-P126 PolarHBondContact NZ-O 2.93Å; K122-P126 VanDerWaalsContact O-CA 3.3Å; K122-P126 WeakPolarHBondContact O-CA 3.28Å; K122-P126 VanDerWaalsContact O-N 3.17Å; K122-M128 PolarHBondContact NZ-O 3.32Å; K122-I133 HydrophobicContact CB-CD1 4.45Å; K122-I133 HydrophobicContact CD-CD1 4.35Å; K122-L163 HydrophobicContact CB-CD2 3.84Å; K122-L163 HydrophobicContact CD-CD2 4.13Å; K122-L163 HydrophobicContact CG-CD2 3.74Å; K122-F167 HydrophobicContact CB-CE1 4.31Å; K122-F167 HydrophobicContact CB-CE2 3.91Å; K122-F167 HydrophobicContact CB-CZ 3.74Å; K122-F167 HydrophobicContact CG-CD1 4.23Å; K122-F167 HydrophobicContact CG-CD2 4.15Å; K122-F167 HydrophobicContact CG-CE1 3.98Å; K122-F167 HydrophobicContact CG-CE2 3.91Å; K122-F167 HydrophobicContact CG-CG 4.31Å; K122-F167 HydrophobicContact CG-CZ 3.82Å |
| 123 | R | 86.9 | Confident | 84.4 | Confident | 150 Ų | 150 | 66.3 Ų | 66.3 | 57% | 0.566 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -71.2 | -41.8 | 173.3 | 178 | 176.7 | 62.2 | -121.1 | -0.9 | 112.1 | E119 E120 N125 | E119-R123 VanDerWaalsContact O-CB 3.24Å; E119-R123 WeakPolarHBondContact O-CB 3.5Å; E119-R123 PolarHBondContact O-N 2.7Å; E120-R123 PolarHBondContact O-N 3.14Å; E120-R123 IonicContact OE1-NH2 2.61Å; E120-R123 PolarHBondContact OE1-NH2 3.13Å; R123-N125 VanDerWaalsContact C-N 3.34Å |
| 124 | E | 86.7 | Confident | 84.8 | Confident | 94 Ų | 94 | 64.9 Ų | 64.9 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 173.7 | -71.4 | 169.6 | -178.5 | 0 | 0 | 111.8 | E120 K136 | E120-E124 WeakPolarHBondContact O-CB 3.12Å; E120-E124 VanDerWaalsContact O-CG 3.31Å; E120-E124 WeakPolarHBondContact O-CG 3.29Å; E120-E124 PolarHBondContact O-N 2.76Å; E124-K136 IonicContact OE2-NZ 3.72Å; E124-K136 PolarHBondContact OE2-NZ 3.11Å |
| 125 | N | 83.1 | Confident | 84.9 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | trans | -138.2 | 87.5 | -175.7 | -69.5 | -95.5 | 0 | 0 | 0 | 110.6 | Y121 K122 R123 G127 M128 | Y121-N125 PolarHBondContact O-N 3.15Å; K122-N125 CarbonylContact O-C 3.21Å; R123-N125 VanDerWaalsContact C-N 3.34Å; N125-G127 PolarHBondContact O-N 2.98Å; N125-G127 VanDerWaalsContact O-N 3.13Å; N125-M128 HydrophobicContact CB-CB 3.86Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 WeakPolarHBondContact O-CB 3.11Å; N125-M128 PolarHBondContact O-N 3.23Å | ||
| 126 | P | 82.3 | Confident | 84.9 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 64% | 0.643 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27 | 179.8 | -28.9 | 37.2 | 0 | 0 | 0 | 114.3 | K122 M128 | K122-P126 VanDerWaalsContact CE-O 3.27Å; K122-P126 WeakPolarHBondContact CE-O 3.45Å; K122-P126 PolarHBondContact NZ-O 2.93Å; K122-P126 VanDerWaalsContact O-CA 3.3Å; K122-P126 WeakPolarHBondContact O-CA 3.28Å; K122-P126 VanDerWaalsContact O-N 3.17Å; P126-M128 VanDerWaalsContact C-N 3.31Å; P126-M128 PolarHBondContact O-N 3.5Å |
| 127 | G | 84.5 | Confident | 84.9 | Confident | 62 Ų | 62 | 60.3 Ų | 60.3 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | N125 F129 | N125-G127 PolarHBondContact O-N 2.98Å; N125-G127 VanDerWaalsContact O-N 3.13Å; G127-F129 PolarHBondContact O-N 3.18Å |
| 128 | M | 84 | Confident | 84.9 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | trans | -65.6 | 130.3 | -167.6 | -166.3 | 180 | -81.3 | 0 | 0 | 112.8 | K122 N125 P126 E132 I133 K136 | K122-M128 PolarHBondContact NZ-O 3.32Å; N125-M128 HydrophobicContact CB-CB 3.86Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 WeakPolarHBondContact O-CB 3.11Å; N125-M128 PolarHBondContact O-N 3.23Å; P126-M128 VanDerWaalsContact C-N 3.31Å; P126-M128 PolarHBondContact O-N 3.5Å; M128-E132 WeakPolarHBondContact CA-OE2 3.23Å; M128-E132 HydrophobicContact CG-CB 3.51Å; M128-E132 HydrophobicContact CG-CG 4.46Å; M128-E132 WeakPolarHBondContact CG-OE2 3.36Å; M128-E132 HydrophobicContact SD-CB 4.2Å; M128-I133 HydrophobicContact CB-CG1 4.4Å; M128-I133 HydrophobicContact CG-CG1 3.82Å; M128-I133 HydrophobicContact SD-CG1 3.64Å; M128-K136 HydrophobicContact CE-CD 4.21Å; M128-K136 HydrophobicContact SD-CD 4.46Å | ||
| 129 | F | 84.9 | Confident | 84.8 | Confident | 130 Ų | 130 | 68 Ų | 68 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | trans | -81 | 157.7 | -178.3 | -66.2 | -76.6 | 0 | 0 | 0 | 112.5 | G127 W131 E132 I133 | G127-F129 PolarHBondContact O-N 3.18Å; F129-W131 HydrophobicContact CB-CG 4.37Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 3.34Å; F129-E132 HydrophobicContact CB-CG 4.4Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.16Å; F129-E132 PolarHBondContact N-OE2 2.94Å; F129-E132 PolarHBondContact O-N 2.93Å; F129-E132 VanDerWaalsContact O-N 3.11Å; F129-I133 WeakPolarHBondContact O-CG1 3.37Å; F129-I133 PolarHBondContact O-N 3.45Å | ||
| 130 | S | 83.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 69.5 Ų | 69.5 | 15% | 0.154 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -15.9 | 179.8 | -52.2 | 0 | 0 | 0 | 0 | 115 | I159 S160 | S130-I159 WeakPolarHBondContact O-CD1 3.39Å; S130-S160 VanDerWaalsContact CB-OG 3.24Å; S130-S160 WeakPolarHBondContact CB-OG 3.28Å; S130-S160 PolarHBondContact OG-OG 2.79Å |
| 131 | W | 83.6 | Confident | 84 | Confident | 139 Ų | 139 | 69.9 Ų | 69.9 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -90.5 | -38.9 | 174.8 | 65.6 | -93.5 | 0 | 0 | 0 | 111.9 | F129 I133 R134 D135 V156 | F129-W131 HydrophobicContact CB-CG 4.37Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 3.34Å; W131-I133 VanDerWaalsContact C-N 3.32Å; W131-I133 PolarHBondContact O-N 2.96Å; W131-R134 VanDerWaalsContact O-CB 3.3Å; W131-R134 WeakPolarHBondContact O-CB 3.42Å; W131-R134 PolarHBondContact O-N 3.42Å; W131-R134 VanDerWaalsContact O-N 3.09Å; W131-D135 PolarHBondContact O-N 3.16Å; W131-V156 HydrophobicContact CB-CG2 4.4Å |
| 132 | E | 86.9 | Confident | 83.4 | Confident | 66 Ų | 66 | 72.4 Ų | 72.4 | 31% | 0.308 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 172.5 | -62.3 | 172.3 | 134.8 | 0 | 0 | 111.2 | M128 F129 R134 D135 K136 | M128-E132 WeakPolarHBondContact CA-OE2 3.23Å; M128-E132 HydrophobicContact CG-CB 3.51Å; M128-E132 HydrophobicContact CG-CG 4.46Å; M128-E132 WeakPolarHBondContact CG-OE2 3.36Å; M128-E132 HydrophobicContact SD-CB 4.2Å; F129-E132 HydrophobicContact CB-CG 4.4Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.16Å; F129-E132 PolarHBondContact N-OE2 2.94Å; F129-E132 PolarHBondContact O-N 2.93Å; F129-E132 VanDerWaalsContact O-N 3.11Å; E132-R134 VanDerWaalsContact C-N 3.29Å; E132-R134 PolarHBondContact O-N 2.83Å; E132-D135 PolarHBondContact O-N 3.42Å; E132-K136 WeakPolarHBondContact O-CB 3.36Å; E132-K136 PolarHBondContact O-N 2.75Å |
| 133 | I | 85.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 172.3 | -71 | 168.1 | 0 | 0 | 0 | 110.8 | I118 Y121 K122 M128 F129 W131 K136 L137 I159 L163 | I118-I133 HydrophobicContact CB-CG2 4.32Å; I118-I133 HydrophobicContact CG1-CG2 3.88Å; I118-I133 HydrophobicContact CG2-CG2 4.23Å; Y121-I133 HydrophobicContact CD2-CG2 4.23Å; K122-I133 HydrophobicContact CB-CD1 4.45Å; K122-I133 HydrophobicContact CD-CD1 4.35Å; M128-I133 HydrophobicContact CB-CG1 4.4Å; M128-I133 HydrophobicContact CG-CG1 3.82Å; M128-I133 HydrophobicContact SD-CG1 3.64Å; F129-I133 WeakPolarHBondContact O-CG1 3.37Å; F129-I133 PolarHBondContact O-N 3.45Å; W131-I133 VanDerWaalsContact C-N 3.32Å; W131-I133 PolarHBondContact O-N 2.96Å; I133-K136 PolarHBondContact O-N 2.78Å; I133-L137 HydrophobicContact CG2-CD1 4.27Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.38Å; I133-L137 PolarHBondContact O-N 3.5Å; I133-I159 HydrophobicContact CB-CG2 4.14Å; I133-I159 HydrophobicContact CD1-CG2 4.39Å; I133-I159 HydrophobicContact CG2-CD1 4.27Å; I133-I159 HydrophobicContact CG2-CG2 3.7Å; I133-L163 HydrophobicContact CD1-CD1 3.91Å; I133-L163 HydrophobicContact CD1-CD2 4.17Å |
| 134 | R | 84 | Confident | 81.9 | Confident | 81 Ų | 81 | 69 Ų | 69 | 31% | 0.306 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 175.8 | 174.8 | -179.4 | -179.2 | -129.1 | 1.7 | 111.4 | W131 E132 K136 L137 L138 S154 I159 | W131-R134 VanDerWaalsContact O-CB 3.3Å; W131-R134 WeakPolarHBondContact O-CB 3.42Å; W131-R134 PolarHBondContact O-N 3.42Å; W131-R134 VanDerWaalsContact O-N 3.09Å; E132-R134 VanDerWaalsContact C-N 3.29Å; E132-R134 PolarHBondContact O-N 2.83Å; R134-K136 VanDerWaalsContact C-N 3.34Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.39Å; R134-L138 HydrophobicContact CG-CD1 4.1Å; R134-L138 WeakPolarHBondContact O-CG 3.24Å; R134-L138 PolarHBondContact O-N 3.25Å; R134-S154 WeakPolarHBondContact CD-O 3.46Å; R134-S154 VanDerWaalsContact CG-O 3.24Å; R134-S154 WeakPolarHBondContact CG-O 3.37Å; R134-S154 PolarHBondContact NE-O 3.3Å; R134-I159 HydrophobicContact CB-CD1 3.63Å; R134-I159 HydrophobicContact CG-CD1 4.44Å |
| 135 | D | 82.7 | Confident | 80.8 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -71.5 | -31.3 | -177.5 | -67.6 | -11.6 | 0 | 0 | 0 | 111.5 | W131 E132 L138 K139 | W131-D135 PolarHBondContact O-N 3.16Å; E132-D135 PolarHBondContact O-N 3.42Å; D135-L138 PolarHBondContact O-N 3.18Å; D135-K139 VanDerWaalsContact O-CB 3.26Å; D135-K139 WeakPolarHBondContact O-CB 3.34Å; D135-K139 PolarHBondContact O-N 2.81Å |
| 136 | K | 84 | Confident | 79.4 | Confident | 48 Ų | 48 | 76.5 Ų | 76.5 | 21% | 0.209 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -73.9 | -26.3 | 170 | -160.2 | -178.6 | 170.4 | -170.9 | 0 | 113.3 | Y121 E124 M128 E132 I133 R134 D140 | Y121-K136 HydrophobicContact CD1-CD 3.66Å; Y121-K136 VanDerWaalsContact CD1-CE 3.48Å; Y121-K136 HydrophobicContact CD1-CG 4.4Å; Y121-K136 VanDerWaalsContact CD1-NZ 3.32Å; Y121-K136 HydrophobicContact CD2-CB 3.92Å; Y121-K136 HydrophobicContact CD2-CD 3.86Å; Y121-K136 HydrophobicContact CD2-CG 4.06Å; Y121-K136 HydrophobicContact CE1-CD 3.63Å; Y121-K136 HydrophobicContact CE1-CG 3.95Å; Y121-K136 HydrophobicContact CE2-CB 3.59Å; Y121-K136 HydrophobicContact CE2-CD 3.86Å; Y121-K136 HydrophobicContact CE2-CG 3.61Å; Y121-K136 HydrophobicContact CG-CD 3.77Å; Y121-K136 HydrophobicContact CG-CG 4.45Å; Y121-K136 PolarHBondContact OH-O 3.37Å; E124-K136 IonicContact OE2-NZ 3.72Å; E124-K136 PolarHBondContact OE2-NZ 3.11Å; M128-K136 HydrophobicContact CE-CD 4.21Å; M128-K136 HydrophobicContact SD-CD 4.46Å; E132-K136 WeakPolarHBondContact O-CB 3.36Å; E132-K136 PolarHBondContact O-N 2.75Å; I133-K136 PolarHBondContact O-N 2.78Å; R134-K136 VanDerWaalsContact C-N 3.34Å; K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 3.33Å |
| 137 | L | 84.6 | Confident | 78 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.1 | -38.2 | 169.3 | -74.5 | 168.4 | 0 | 0 | 0 | 111.7 | V114 R117 I118 Y121 I133 R134 V142 C143 I159 | V114-L137 HydrophobicContact CG1-CD1 4.06Å; V114-L137 HydrophobicContact CG1-CD2 4.36Å; R117-L137 HydrophobicContact CB-CD2 3.85Å; R117-L137 HydrophobicContact CG-CD2 3.82Å; I118-L137 HydrophobicContact CD1-CD1 4.32Å; I118-L137 HydrophobicContact CG1-CD1 3.85Å; Y121-L137 HydrophobicContact CD2-CG 4.48Å; Y121-L137 HydrophobicContact CE2-CD2 3.94Å; Y121-L137 HydrophobicContact CE2-CG 3.94Å; I133-L137 HydrophobicContact CG2-CD1 4.27Å; I133-L137 VanDerWaalsContact O-CG 3.25Å; I133-L137 WeakPolarHBondContact O-CG 3.38Å; I133-L137 PolarHBondContact O-N 3.5Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.39Å; L137-V142 HydrophobicContact CD2-CB 4.03Å; L137-V142 HydrophobicContact CD2-CG1 3.87Å; L137-V142 PolarHBondContact O-N 2.93Å; L137-C143 PolarHBondContact O-N 2.93Å; L137-I159 HydrophobicContact CD1-CD1 4.2Å |
| 138 | L | 82.9 | Confident | 76.5 | Confident | 49 Ų | 49 | 74 Ų | 74 | 26% | 0.257 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -43.5 | 174.6 | -74.6 | 162.4 | 0 | 0 | 0 | 111.6 | R134 D135 G141 C143 R145 | R134-L138 HydrophobicContact CG-CD1 4.1Å; R134-L138 WeakPolarHBondContact O-CG 3.24Å; R134-L138 PolarHBondContact O-N 3.25Å; D135-L138 PolarHBondContact O-N 3.18Å; L138-G141 PolarHBondContact O-N 3.24Å; L138-C143 WeakPolarHBondContact CD2-O 3.23Å; L138-R145 HydrophobicContact CD2-CB 4.32Å |
| 139 | K | 83.9 | Confident | 74.4 | Confident | 179 Ų | 179 | 77.3 Ų | 77.3 | 78% | 0.778 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.7 | -40.6 | -179.3 | -175.7 | 178.9 | 179.1 | -178.6 | 0 | 112.8 | D135 G141 | D135-K139 VanDerWaalsContact O-CB 3.26Å; D135-K139 WeakPolarHBondContact O-CB 3.34Å; D135-K139 PolarHBondContact O-N 2.81Å; K139-G141 PolarHBondContact O-N 2.63Å |
| 140 | D | 82.6 | Confident | 72.5 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 36% | 0.364 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 8.9 | -177.6 | -67.8 | 27.8 | 0 | 0 | 0 | 112.5 | R117 Y121 K136 V142 | R117-D140 IonicContact CZ-OD2 2.7Å; R117-D140 IonicContact NE-OD2 3.19Å; R117-D140 IonicContact NH2-OD2 2.81Å; R117-D140 PolarHBondContact NH2-OD2 2.93Å; Y121-D140 WeakPolarHBondContact OH-CB 3.32Å; Y121-D140 VanDerWaalsContact OH-CG 3.22Å; Y121-D140 PolarHBondContact OH-OD2 3.45Å; K136-D140 WeakPolarHBondContact O-CB 3.48Å; K136-D140 PolarHBondContact O-N 3.33Å; D140-V142 HydrophobicContact CB-CG2 4.12Å; D140-V142 PolarHBondContact O-N 3.43Å |
| 141 | G | 76 | Confident | 71 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 58% | 0.577 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L138 K139 C143 | L138-G141 PolarHBondContact O-N 3.24Å; K139-G141 PolarHBondContact O-N 2.63Å; G141-C143 VanDerWaalsContact C-N 3.33Å |
| 142 | V | 73.9 | Confident | 69.6 | Low | 53 Ų | 53 | 75.6 Ų | 75.6 | 32% | 0.321 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -80.2 | -18.3 | -176.2 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | V114 R117 L137 D140 | V114-V142 HydrophobicContact CG2-CG1 4.12Å; R117-V142 HydrophobicContact CB-CG1 4.25Å; R117-V142 HydrophobicContact CG-CG1 4.36Å; R117-V142 HydrophobicContact CG-CG2 4.26Å; L137-V142 HydrophobicContact CD2-CB 4.03Å; L137-V142 HydrophobicContact CD2-CG1 3.87Å; L137-V142 PolarHBondContact O-N 2.93Å; D140-V142 HydrophobicContact CB-CG2 4.12Å; D140-V142 PolarHBondContact O-N 3.43Å |
| 143 | C | 70.9 | Confident | 68.1 | Low | 16 Ų | 16 | 73 Ų | 73 | 11% | 0.108 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -139.5 | 125.6 | 170.9 | -71.9 | 0 | 0 | 0 | 0 | 110 | L137 L138 G141 | L137-C143 PolarHBondContact O-N 2.93Å; L138-C143 WeakPolarHBondContact CD2-O 3.23Å; G141-C143 VanDerWaalsContact C-N 3.33Å |
| 144 | D | 69.3 | Low | 66.8 | Low | 105 Ų | 105 | 73 Ų | 73 | 56% | 0.561 | 41% | 0.41 | S | S | * | . | trans | -73.7 | 149.2 | 173.4 | -75.6 | -58.9 | 0 | 0 | 0 | 113.1 | S146 T147 V148 | D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.29Å; D144-T147 PolarHBondContact O-N 3.25Å; D144-V148 WeakPolarHBondContact O-CG2 3.46Å | ||
| 145 | R | 63.2 | Low | 66.1 | Low | 225 Ų | 225 | 70.4 Ų | 70.4 | 85% | 0.849 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -69.5 | -22.1 | 178.2 | -164.6 | 172.3 | -175.4 | 153.9 | 0.5 | 113.3 | L138 | L138-R145 HydrophobicContact CD2-CB 4.32Š|
| 146 | S | 54.8 | Low | 65.8 | Low | 102 Ų | 102 | 69.3 Ų | 69.3 | 71% | 0.713 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -75.7 | -30 | 173.9 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | D144 V148 | D144-S146 VanDerWaalsContact C-N 3.26Å; D144-S146 PolarHBondContact O-N 3.29Å; S146-V148 PolarHBondContact O-N 3.2Å |
| 147 | T | 53.6 | Low | 65.4 | Low | 69 Ų | 69 | 70.7 Ų | 70.7 | 42% | 0.423 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -78.2 | 30.9 | 178.1 | -35.3 | 0 | 0 | 0 | 0 | 112.3 | D144 P149 E152 | D144-T147 PolarHBondContact O-N 3.25Å; T147-P149 VanDerWaalsContact C-CD 3.44Å; T147-E152 HydrophobicContact CG2-CG 4.37Å; T147-E152 WeakPolarHBondContact O-CB 3.22Å; T147-E152 WeakPolarHBondContact O-CG 3.4Å |
| 148 | V | 51.5 | Low | 65 | Low | 41 Ų | 41 | 71.1 Ų | 71.1 | 25% | 0.248 | 42% | 0.419 | C | S | . | . | trans | -129.3 | 53.4 | -177.6 | -158.6 | 0 | 0 | 0 | 0 | 114.6 | D144 S146 S150 S154 | D144-V148 WeakPolarHBondContact O-CG2 3.46Å; S146-V148 PolarHBondContact O-N 3.2Å; V148-S150 PolarHBondContact O-N 2.9Å; V148-S154 WeakPolarHBondContact CG2-OG 3.34Å | ||
| 149 | P | 41.1 | Very low | 64.8 | Low | 97 Ų | 97 | 68.8 Ų | 68.8 | 63% | 0.63 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -85.8 | 77 | 161.5 | 35.6 | -32.6 | 0 | 0 | 0 | 110.8 | T147 G151 | T147-P149 VanDerWaalsContact C-CD 3.44Å; P149-G151 PolarHBondContact O-N 3.38Å |
| 150 | S | 45.2 | Very low | 64.7 | Low | 129 Ų | 129 | 61.4 Ų | 61.4 | 90% | 0.902 | 38% | 0.377 | S | S | * | . | S | Bend | trans | 50.5 | 15.4 | 163.1 | -59 | 0 | 0 | 0 | 0 | 119.8 | V148 | V148-S150 PolarHBondContact O-N 2.9Š|
| 151 | G | 51 | Low | 64.5 | Low | 46 Ų | 46 | 64.4 Ų | 64.4 | 47% | 0.474 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -145.8 | 0.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | P149 | P149-G151 PolarHBondContact O-N 3.38Š|
| 152 | E | 54.5 | Low | 64.8 | Low | 79 Ų | 79 | 62.5 Ų | 62.5 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -103.5 | 173.2 | -167.6 | -69.7 | -62.8 | 153 | 0 | 0 | 114 | T147 S154 S155 | T147-E152 HydrophobicContact CG2-CG 4.37Å; T147-E152 WeakPolarHBondContact O-CB 3.22Å; T147-E152 WeakPolarHBondContact O-CG 3.4Å; E152-S154 PolarHBondContact O-N 3Å; E152-S155 WeakPolarHBondContact O-CB 3.41Å; E152-S155 PolarHBondContact O-N 2.98Å; E152-S155 VanDerWaalsContact O-N 3.1Å; E152-S155 PolarHBondContact O-OG 3.36Å |
| 153 | A | 55.3 | Low | 65.1 | Low | 11 Ų | 11 | 60.9 Ų | 60.9 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -51.1 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116 | V109 A110 V114 S155 S158 | V109-A153 WeakPolarHBondContact O-CA 3.35Å; V109-A153 WeakPolarHBondContact O-CB 3.16Å; V109-A153 PolarHBondContact O-N 3.13Å; A110-A153 HydrophobicContact CB-CB 4.16Å; V114-A153 HydrophobicContact CB-CB 4.47Å; V114-A153 HydrophobicContact CG1-CB 4.02Å; V114-A153 HydrophobicContact CG2-CB 4.44Å; A153-S155 PolarHBondContact O-N 3.15Å; A153-S155 VanDerWaalsContact O-N 3.15Å; A153-S158 WeakPolarHBondContact O-CB 3.42Å |
| 154 | S | 58 | Low | 65.6 | Low | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 1.5 | -172.6 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | R134 V148 E152 V156 I159 | R134-S154 WeakPolarHBondContact CD-O 3.46Å; R134-S154 VanDerWaalsContact CG-O 3.24Å; R134-S154 WeakPolarHBondContact CG-O 3.37Å; R134-S154 PolarHBondContact NE-O 3.3Å; V148-S154 WeakPolarHBondContact CG2-OG 3.34Å; E152-S154 PolarHBondContact O-N 3Å; S154-V156 PolarHBondContact O-N 3.07Å; S154-I159 WeakPolarHBondContact O-CD1 3.16Å |
| 155 | S | 70.1 | Confident | 65.9 | Low | 26 Ų | 26 | 66.4 Ų | 66.4 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | trans | -64.3 | 132.6 | 176 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | E152 A153 S157 S158 I159 | E152-S155 WeakPolarHBondContact O-CB 3.41Å; E152-S155 PolarHBondContact O-N 2.98Å; E152-S155 VanDerWaalsContact O-N 3.1Å; E152-S155 PolarHBondContact O-OG 3.36Å; A153-S155 PolarHBondContact O-N 3.15Å; A153-S155 VanDerWaalsContact O-N 3.15Å; S155-S157 PolarHBondContact O-N 3.37Å; S155-S157 VanDerWaalsContact O-N 3.07Å; S155-S158 WeakPolarHBondContact O-CA 3.29Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 3.24Å; S155-S158 WeakPolarHBondContact OG-CB 3.36Å; S155-S158 PolarHBondContact OG-OG 3.17Å; S155-I159 PolarHBondContact O-N 2.91Å | ||
| 156 | V | 75.5 | Confident | 66.4 | Low | 55 Ų | 55 | 63.3 Ų | 63.3 | 33% | 0.333 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -55.9 | -32.2 | -175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.3 | W131 S154 S160 | W131-V156 HydrophobicContact CB-CG2 4.4Å; S154-V156 PolarHBondContact O-N 3.07Å; V156-S160 VanDerWaalsContact O-CB 3.26Å; V156-S160 WeakPolarHBondContact O-CB 3.29Å; V156-S160 PolarHBondContact O-N 3.2Å; V156-S160 PolarHBondContact O-OG 2.98Å |
| 157 | S | 75.8 | Confident | 67.2 | Low | 77 Ų | 77 | 61.8 Ų | 61.8 | 54% | 0.538 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -71.5 | -28.4 | 173.9 | -175.9 | 0 | 0 | 0 | 0 | 113.8 | S155 R161 | S155-S157 PolarHBondContact O-N 3.37Å; S155-S157 VanDerWaalsContact O-N 3.07Å; S157-R161 VanDerWaalsContact O-CG 3.27Å; S157-R161 WeakPolarHBondContact O-CG 3.19Å; S157-R161 PolarHBondContact O-N 2.83Å; S157-R161 PolarHBondContact O-NE 3.13Å |
| 158 | S | 75.4 | Confident | 67.5 | Low | 8 Ų | 8 | 61 Ų | 61 | 6% | 0.056 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -77.2 | -46.5 | 172.8 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | V109 A153 S155 S160 R161 V162 | V109-S158 WeakPolarHBondContact CG1-OG 3.44Å; A153-S158 WeakPolarHBondContact O-CB 3.42Å; S155-S158 WeakPolarHBondContact O-CA 3.29Å; S155-S158 WeakPolarHBondContact O-CB 3.45Å; S155-S158 PolarHBondContact O-N 3.24Å; S155-S158 WeakPolarHBondContact OG-CB 3.36Å; S155-S158 PolarHBondContact OG-OG 3.17Å; S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 2.94Å; S158-R161 WeakPolarHBondContact O-CA 3.3Å; S158-R161 WeakPolarHBondContact O-CB 3.44Å; S158-R161 PolarHBondContact O-N 2.61Å; S158-R161 PolarHBondContact OG-NH2 2.97Å; S158-V162 PolarHBondContact O-N 3.31Å |
| 159 | I | 79 | Confident | 67.7 | Low | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -54.5 | -48.5 | 172.1 | -64.4 | 165 | 0 | 0 | 0 | 110.1 | I118 S130 I133 R134 L137 S154 S155 R161 V162 L163 | I118-I159 HydrophobicContact CD1-CB 4.47Å; I118-I159 HydrophobicContact CD1-CG1 3.84Å; I118-I159 HydrophobicContact CG1-CG1 4.33Å; I118-I159 HydrophobicContact CG2-CG2 4.2Å; S130-I159 WeakPolarHBondContact O-CD1 3.39Å; I133-I159 HydrophobicContact CB-CG2 4.14Å; I133-I159 HydrophobicContact CD1-CG2 4.39Å; I133-I159 HydrophobicContact CG2-CD1 4.27Å; I133-I159 HydrophobicContact CG2-CG2 3.7Å; R134-I159 HydrophobicContact CB-CD1 3.63Å; R134-I159 HydrophobicContact CG-CD1 4.44Å; L137-I159 HydrophobicContact CD1-CD1 4.2Å; S154-I159 WeakPolarHBondContact O-CD1 3.16Å; S155-I159 PolarHBondContact O-N 2.91Å; I159-R161 PolarHBondContact O-N 3.49Å; I159-V162 PolarHBondContact O-N 2.97Å; I159-V162 VanDerWaalsContact O-N 3.15Å; I159-L163 HydrophobicContact CG2-CD1 3.97Å; I159-L163 HydrophobicContact CG2-CG 4.27Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.46Å; I159-L163 PolarHBondContact O-N 3.44Å |
| 160 | S | 81.9 | Confident | 68.2 | Low | 24 Ų | 24 | 68.6 Ų | 68.6 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -22 | 178 | -55.7 | 0 | 0 | 0 | 0 | 114.1 | S130 V156 S158 R164 | S130-S160 VanDerWaalsContact CB-OG 3.24Å; S130-S160 WeakPolarHBondContact CB-OG 3.28Å; S130-S160 PolarHBondContact OG-OG 2.79Å; V156-S160 VanDerWaalsContact O-CB 3.26Å; V156-S160 WeakPolarHBondContact O-CB 3.29Å; V156-S160 PolarHBondContact O-N 3.2Å; V156-S160 PolarHBondContact O-OG 2.98Å; S158-S160 VanDerWaalsContact C-N 3.3Å; S158-S160 PolarHBondContact O-N 2.94Å; S160-R164 WeakPolarHBondContact O-CG 3.37Å; S160-R164 VanDerWaalsContact O-CZ 3.26Å; S160-R164 PolarHBondContact O-N 3Å; S160-R164 PolarHBondContact O-NH1 2.91Å |
| 161 | R | 78.8 | Confident | 68.4 | Low | 131 Ų | 131 | 69 Ų | 69 | 49% | 0.494 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -79.1 | -43.5 | 172 | -78.8 | 176.4 | -69.2 | 168.3 | 3.1 | 111.5 | S157 S158 I159 R164 A165 | S157-R161 VanDerWaalsContact O-CG 3.27Å; S157-R161 WeakPolarHBondContact O-CG 3.19Å; S157-R161 PolarHBondContact O-N 2.83Å; S157-R161 PolarHBondContact O-NE 3.13Å; S158-R161 WeakPolarHBondContact O-CA 3.3Å; S158-R161 WeakPolarHBondContact O-CB 3.44Å; S158-R161 PolarHBondContact O-N 2.61Å; S158-R161 PolarHBondContact OG-NH2 2.97Å; I159-R161 PolarHBondContact O-N 3.49Å; R161-R164 PolarHBondContact O-N 3.15Å; R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.3Å |
| 162 | V | 81.5 | Confident | 68.3 | Low | 16 Ų | 16 | 74.1 Ų | 74.1 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.1 | -48.4 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | E115 I118 S158 I159 R164 A165 R166 | E115-V162 HydrophobicContact CG-CG2 4.26Å; I118-V162 HydrophobicContact CB-CG1 4.46Å; I118-V162 HydrophobicContact CD1-CG2 4.48Å; I118-V162 HydrophobicContact CG2-CB 4.43Å; I118-V162 HydrophobicContact CG2-CG1 3.97Å; S158-V162 PolarHBondContact O-N 3.31Å; I159-V162 PolarHBondContact O-N 2.97Å; I159-V162 VanDerWaalsContact O-N 3.15Å; V162-R164 PolarHBondContact O-N 3.36Å; V162-A165 PolarHBondContact O-N 3.01Å; V162-A165 VanDerWaalsContact O-N 3.16Å; V162-R166 HydrophobicContact CG1-CG 4.47Å; V162-R166 WeakPolarHBondContact O-CB 3.11Å; V162-R166 VanDerWaalsContact O-CG 3.28Å; V162-R166 WeakPolarHBondContact O-CG 3.48Å; V162-R166 PolarHBondContact O-N 2.93Å |
| 163 | L | 81.3 | Confident | 68.2 | Low | 19 Ų | 19 | 77.8 Ų | 77.8 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.9 | -49.2 | 178.5 | -68.9 | 177.1 | 0 | 0 | 0 | 112.5 | I118 K122 I133 I159 A165 R166 F167 G168 | I118-L163 HydrophobicContact CG2-CD2 3.86Å; I118-L163 HydrophobicContact CG2-CG 4.22Å; K122-L163 HydrophobicContact CB-CD2 3.84Å; K122-L163 HydrophobicContact CD-CD2 4.13Å; K122-L163 HydrophobicContact CG-CD2 3.74Å; I133-L163 HydrophobicContact CD1-CD1 3.91Å; I133-L163 HydrophobicContact CD1-CD2 4.17Å; I159-L163 HydrophobicContact CG2-CD1 3.97Å; I159-L163 HydrophobicContact CG2-CG 4.27Å; I159-L163 VanDerWaalsContact O-CG 3.31Å; I159-L163 WeakPolarHBondContact O-CG 3.46Å; I159-L163 PolarHBondContact O-N 3.44Å; L163-A165 VanDerWaalsContact C-N 3.31Å; L163-A165 PolarHBondContact O-N 2.78Å; L163-R166 PolarHBondContact O-N 3.06Å; L163-F167 HydrophobicContact CD2-CD2 4Å; L163-F167 HydrophobicContact CD2-CE2 4.08Å; L163-F167 WeakPolarHBondContact O-CB 2.99Å; L163-F167 PolarHBondContact O-N 3.11Å; L163-G168 PolarHBondContact O-N 3.2Å |
| 164 | R | 80.2 | Confident | 67.8 | Low | 157 Ų | 157 | 83 Ų | 83 | 59% | 0.592 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -63.6 | -35 | 176.6 | -75.6 | -170.5 | -61.2 | -92.6 | 1.4 | 113.1 | S160 R161 V162 R166 G168 | S160-R164 WeakPolarHBondContact O-CG 3.37Å; S160-R164 VanDerWaalsContact O-CZ 3.26Å; S160-R164 PolarHBondContact O-N 3Å; S160-R164 PolarHBondContact O-NH1 2.91Å; R161-R164 PolarHBondContact O-N 3.15Å; V162-R164 PolarHBondContact O-N 3.36Å; R164-R166 VanDerWaalsContact C-N 3.25Å; R164-R166 PolarHBondContact O-N 3.35Å; R164-G168 PolarHBondContact O-N 3.45Å |
| 165 | A | 76.9 | Confident | 67.3 | Low | 80 Ų | 80 | 90.7 Ų | 90.7 | 66% | 0.661 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -73.9 | -12 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R161 V162 L163 | R161-A165 WeakPolarHBondContact O-CB 3.45Å; R161-A165 PolarHBondContact O-N 3.3Å; V162-A165 PolarHBondContact O-N 3.01Å; V162-A165 VanDerWaalsContact O-N 3.16Å; L163-A165 VanDerWaalsContact C-N 3.31Å; L163-A165 PolarHBondContact O-N 2.78Å |
| 166 | R | 74 | Confident | 65.8 | Low | 161 Ų | 161 | 95.1 Ų | 95.1 | 61% | 0.608 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -126.1 | -31.6 | -171.5 | -57.7 | -70.1 | -95.9 | 179.3 | -3.6 | 114.1 | E119 V162 L163 R164 | E119-R166 IonicContact OE1-CZ 3.3Å; E119-R166 IonicContact OE1-NE 3.16Å; E119-R166 PolarHBondContact OE1-NE 2.96Å; E119-R166 IonicContact OE1-NH2 3.75Å; E119-R166 PolarHBondContact OE1-NH2 2.96Å; E119-R166 IonicContact OE2-NH2 3.99Å; E119-R166 PolarHBondContact OE2-NH2 3.42Å; V162-R166 HydrophobicContact CG1-CG 4.47Å; V162-R166 WeakPolarHBondContact O-CB 3.11Å; V162-R166 VanDerWaalsContact O-CG 3.28Å; V162-R166 WeakPolarHBondContact O-CG 3.48Å; V162-R166 PolarHBondContact O-N 2.93Å; L163-R166 PolarHBondContact O-N 3.06Å; R164-R166 VanDerWaalsContact C-N 3.25Å; R164-R166 PolarHBondContact O-N 3.35Å |
| 167 | F | 70.2 | Confident | 64.4 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 31% | 0.307 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -35 | 178.9 | -63.2 | -92 | 0 | 0 | 0 | 112.7 | E119 K122 L163 K169 K170 | E119-F167 HydrophobicContact CG-CE2 4.3Å; K122-F167 HydrophobicContact CB-CE1 4.31Å; K122-F167 HydrophobicContact CB-CE2 3.91Å; K122-F167 HydrophobicContact CB-CZ 3.74Å; K122-F167 HydrophobicContact CG-CD1 4.23Å; K122-F167 HydrophobicContact CG-CD2 4.15Å; K122-F167 HydrophobicContact CG-CE1 3.98Å; K122-F167 HydrophobicContact CG-CE2 3.91Å; K122-F167 HydrophobicContact CG-CG 4.31Å; K122-F167 HydrophobicContact CG-CZ 3.82Å; L163-F167 HydrophobicContact CD2-CD2 4Å; L163-F167 HydrophobicContact CD2-CE2 4.08Å; L163-F167 WeakPolarHBondContact O-CB 2.99Å; L163-F167 PolarHBondContact O-N 3.11Å; F167-K169 PolarHBondContact O-N 2.75Å; F167-K170 PolarHBondContact O-N 3.31Å |
| 168 | G | 60 | Low | 63.1 | Low | 52 Ų | 52 | 105.4 Ų | 105.4 | 54% | 0.536 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 39.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | L163 R164 | L163-G168 PolarHBondContact O-N 3.2Å; R164-G168 PolarHBondContact O-N 3.45Å |
| 169 | K | 55.7 | Low | 61.4 | Low | 167 Ų | 167 | 114.7 Ų | 114.7 | 73% | 0.726 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.5 | 25.9 | 176.2 | -153.2 | -135.3 | 172.9 | -140.9 | 0 | 112.3 | F167 | F167-K169 PolarHBondContact O-N 2.75Š|
| 170 | K | 51.9 | Low | 59.4 | Low | 130 Ų | 130 | 122 Ų | 122 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -134.7 | 3.6 | -175.8 | -145.6 | -164.5 | 174.2 | -75.9 | 0 | 114.7 | F167 D174 | F167-K170 PolarHBondContact O-N 3.31Å; K170-D174 IonicContact NZ-OD2 3.97Å; K170-D174 PolarHBondContact NZ-OD2 3.35Å |
| 171 | D | 48.8 | Very low | 57.4 | Low | 139 Ų | 139 | 130 Ų | 130 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -100.8 | 2.1 | -173.2 | -52.9 | -38.4 | 0 | 0 | 0 | 112.6 | ||
| 172 | D | 49.1 | Very low | 55.4 | Low | 153 Ų | 153 | 131.9 Ų | 131.9 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -110 | -5 | -173.9 | -61.5 | -68.8 | 0 | 0 | 0 | 114.8 | ||
| 173 | E | 53.8 | Low | 53.1 | Low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -121.9 | -5.7 | -169.7 | -70.1 | 179.4 | -179.3 | 0 | 0 | 115.1 | ||
| 174 | D | 45.8 | Very low | 51.2 | Low | 120 Ų | 120 | 140.3 Ų | 140.3 | 64% | 0.642 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -112.8 | 5.1 | -169.8 | -80.2 | -41.3 | 0 | 0 | 0 | 115.2 | K170 | K170-D174 IonicContact NZ-OD2 3.97Å; K170-D174 PolarHBondContact NZ-OD2 3.35Å |
| 175 | D | 47.2 | Very low | 49.4 | Very low | 164 Ų | 164 | 140 Ų | 140 | 88% | 0.877 | 72% | 0.723 | S | S | * | * | trans | -125.4 | 58.9 | -176.7 | -167.6 | 40.3 | 0 | 0 | 0 | 114.6 | ||||
| 176 | C | 38.7 | Very low | 47.6 | Very low | 120 Ų | 120 | 145.7 Ų | 145.7 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -145.2 | 27.3 | 174.1 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 177 | D | 46.5 | Very low | 46 | Very low | 153 Ų | 153 | 144.6 Ų | 144.6 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | trans | -114.6 | 69.9 | 174.3 | -161.1 | -10.8 | 0 | 0 | 0 | 111.9 | ||||
| 178 | K | 47.9 | Very low | 45.1 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | -178.6 | 100.7 | 160.4 | -102.9 | 150 | -166.8 | 157.6 | 0 | 113 | ||||
| 179 | K | 39.4 | Very low | 44.6 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | 169.8 | 136.7 | 123 | -94.4 | 166.7 | -176.7 | 177.9 | 0 | 111.7 | |||||
| 180 | D | 38.7 | Very low | 44 | Very low | 155 Ų | 155 | 153.8 Ų | 153.8 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -83.3 | 175.4 | 174 | -51.1 | -93.9 | 0 | 0 | 0 | 113 | ||||
| 181 | E | 39.3 | Very low | 44 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | 72.1 | 118.4 | 163.8 | -62.2 | -161.4 | 116.1 | 0 | 0 | 121.4 | ||||
| 182 | D | 36.9 | Very low | 44 | Very low | 171 Ų | 171 | 155 Ų | 155 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | 66.9 | 158 | 143.3 | -159.4 | 30.1 | 0 | 0 | 0 | 120.7 | ||||
| 183 | G | 33.5 | Very low | 43.9 | Very low | 62 Ų | 62 | 151.5 Ų | 151.5 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | 119.9 | 83.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 184 | E | 41.7 | Very low | 43.6 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -63.6 | 140.5 | 165.1 | -12.2 | 149.5 | 86.9 | 0 | 0 | 111.2 | ||||
| 185 | K | 41.8 | Very low | 43.6 | Very low | 151 Ų | 151 | 153 Ų | 153 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | 159.1 | 115.9 | 123.7 | -83.3 | 146 | -149.8 | 85.3 | 0 | 114.4 | |||||
| 186 | K | 38.1 | Very low | 43.2 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | trans | 66.5 | 157.8 | 156.3 | -56.3 | 168.2 | -177.7 | 172.4 | 0 | 114.4 | ||||
| 187 | T | 41.5 | Very low | 43.5 | Very low | 137 Ų | 137 | 150 Ų | 150 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | cis | -120.6 | 166.3 | 12.6 | 47.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 188 | K | 51.2 | Low | 43.1 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -88.5 | 164.9 | 170.2 | -66.7 | 179.3 | 178.4 | 179.9 | 0 | 110.1 | ||||
| 189 | H | 49.8 | Very low | 42.4 | Very low | 187 Ų | 187 | 148.5 Ų | 148.5 | 87% | 0.866 | 80% | 0.799 | S | S | * | * | trans | 81.6 | 75 | 171.3 | -41 | -70.2 | 0 | 0 | 0 | 116.5 | ||||
| 190 | S | 42.9 | Very low | 42.3 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -124.8 | 155.7 | 148.1 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | D192 | S190-D192 PolarHBondContact O-N 2.86Š| ||
| 191 | I | 50.6 | Low | 42.1 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 75% | 0.749 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 23.3 | -156.6 | -162.7 | 162.5 | 0 | 0 | 0 | 115.4 | ||
| 192 | D | 49.8 | Very low | 41.9 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -25.8 | -172.2 | -150.8 | 50.7 | 0 | 0 | 0 | 113.8 | S190 I194 | S190-D192 PolarHBondContact O-N 2.86Å; D192-I194 VanDerWaalsContact C-N 3.26Å; D192-I194 PolarHBondContact O-N 3.07Å |
| 193 | G | 47.4 | Very low | 41.7 | Very low | 80 Ų | 80 | 144.4 Ų | 144.4 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 27.8 | -171 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 194 | I | 47.3 | Very low | 41.7 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -18.8 | -177.2 | -69.2 | -179.1 | 0 | 0 | 0 | 113.7 | D192 | D192-I194 VanDerWaalsContact C-N 3.26Å; D192-I194 PolarHBondContact O-N 3.07Å |
| 195 | L | 46.1 | Very low | 41.4 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -127 | 11.5 | -178 | -74.4 | 167.2 | 0 | 0 | 0 | 114.2 | ||
| 196 | G | 38.6 | Very low | 41 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 80% | 0.796 | S | S | * | * | trans | -96 | 122.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 197 | D | 43.6 | Very low | 41.2 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -21.2 | 135.6 | 179.9 | -69.3 | -89.1 | 0 | 0 | 0 | 122.5 | ||||
| 198 | K | 39.7 | Very low | 41 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -149.1 | 101.1 | 137.2 | -110.6 | 172.8 | -179.1 | 174.7 | 0 | 108.5 | ||||
| 199 | C | 32.9 | Very low | 40.7 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 72% | 0.716 | 79% | 0.787 | S | S | * | * | 88.8 | 91.8 | 62.7 | -172.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 200 | N | 36.7 | Very low | 40.1 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | 66.9 | 158.7 | 131.7 | -150.9 | 2.9 | 0 | 0 | 0 | 121.2 | ||||
| 201 | R | 34.3 | Very low | 40 | Very low | 213 Ų | 213 | 136.2 Ų | 136.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 75.9 | 137 | -174.3 | -64.2 | -179.7 | 163.2 | -97.1 | -1.5 | 115 | ||||
| 202 | T | 35.3 | Very low | 39.8 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | cis | -150.2 | 143.2 | 3.1 | -4.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 203 | D | 33.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | 21.9 | 110.9 | 136.4 | -158.2 | -140.6 | 0 | 0 | 0 | 120.2 | ||||
| 204 | D | 32.7 | Very low | 39 | Very low | 163 Ų | 163 | 136 Ų | 136 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -157.8 | 155.4 | 135.2 | -169.9 | 19.6 | 0 | 0 | 0 | 108.6 | ||||
| 205 | G | 36.6 | Very low | 38.8 | Very low | 58 Ų | 58 | 133.9 Ų | 133.9 | 60% | 0.598 | 76% | 0.758 | S | S | * | * | trans | -103.6 | 151.9 | -160.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 206 | S | 33.3 | Very low | 38.7 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -159 | 107.1 | 144.6 | 9.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 207 | D | 42.4 | Very low | 38.9 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | -68.9 | 132.3 | 168.2 | 169.6 | 27.3 | 0 | 0 | 0 | 110.6 | D209 | D207-D209 PolarHBondContact OD1-N 2.82Š| ||
| 208 | V | 36.2 | Very low | 38.9 | Very low | 132 Ų | 132 | 142.7 Ų | 142.7 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | trans | -147.6 | 65 | 165.1 | -79.1 | 0 | 0 | 0 | 0 | 110.1 | S210 | V208-S210 PolarHBondContact O-N 3.33Š| ||
| 209 | D | 44.8 | Very low | 39.3 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -54.7 | 121.4 | 162.8 | -177.6 | -117.9 | 0 | 0 | 0 | 111.2 | D207 | D207-D209 PolarHBondContact OD1-N 2.82Š| ||
| 210 | S | 36.9 | Very low | 39.9 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | -169.6 | 54.1 | 173 | -81.3 | 0 | 0 | 0 | 0 | 111.6 | V208 | V208-S210 PolarHBondContact O-N 3.33Š| ||
| 211 | E | 41.2 | Very low | 40.8 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -65.2 | 143.7 | 146.1 | -107.9 | -84 | 124.1 | 0 | 0 | 108 | D213 | E211-D213 PolarHBondContact OE2-N 3.46Š| ||
| 212 | P | 47.2 | Very low | 42.2 | Very low | 109 Ų | 109 | 147.2 Ų | 147.2 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | -142.4 | 139.6 | 91.9 | 35.3 | -20.7 | 0 | 0 | 0 | 115.1 | L214 | P212-L214 PolarHBondContact O-N 3.36Š| |||
| 213 | D | 39.5 | Very low | 43.7 | Very low | 117 Ų | 117 | 146.9 Ų | 146.9 | 63% | 0.626 | 76% | 0.762 | S | S | * | * | trans | -38.1 | 105.2 | 168.6 | 179 | 21.1 | 0 | 0 | 0 | 112.1 | E211 P215 | E211-D213 PolarHBondContact OE2-N 3.46Å; D213-P215 WeakPolarHBondContact O-CD 3.47Å | ||
| 214 | L | 40.5 | Very low | 46.1 | Very low | 141 Ų | 141 | 149.7 Ų | 149.7 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | trans | -90.9 | 97.8 | 159.4 | -76.2 | 177.2 | 0 | 0 | 0 | 107.4 | P212 L216 | P212-L214 PolarHBondContact O-N 3.36Å; L214-L216 VanDerWaalsContact C-N 3.32Å; L214-L216 PolarHBondContact O-N 3.04Å | ||
| 215 | P | 43.3 | Very low | 48.6 | Very low | 95 Ų | 95 | 144 Ų | 144 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | trans | -66 | 93 | -180 | 24.9 | -35.4 | 0 | 0 | 0 | 109.8 | D213 K217 | D213-P215 WeakPolarHBondContact O-CD 3.47Å; P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å | ||
| 216 | L | 43.6 | Very low | 51.1 | Low | 142 Ų | 142 | 147.1 Ų | 147.1 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -62.9 | 87.6 | -179 | -70.8 | 179.7 | 0 | 0 | 0 | 109.5 | L214 R218 | L214-L216 VanDerWaalsContact C-N 3.32Å; L214-L216 PolarHBondContact O-N 3.04Å; L216-R218 PolarHBondContact O-N 2.81Å | ||
| 217 | K | 44.1 | Very low | 53.9 | Low | 194 Ų | 194 | 144.5 Ų | 144.5 | 84% | 0.843 | 71% | 0.714 | S | S | * | * | trans | -49.7 | 102.4 | -177.2 | -83.5 | -179.9 | 173.8 | 172.7 | 0 | 110.2 | P215 K219 | P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å; K217-K219 PolarHBondContact O-N 2.77Å | ||
| 218 | R | 43.5 | Very low | 56.4 | Low | 238 Ų | 238 | 140.9 Ų | 140.9 | 90% | 0.898 | 70% | 0.697 | S | S | * | * | trans | -50 | 101.1 | -178.7 | -58.9 | 178.8 | -169.5 | 93.9 | 4.8 | 108.6 | L216 Q220 | L216-R218 PolarHBondContact O-N 2.81Å; R218-Q220 VanDerWaalsContact C-N 3.27Å; R218-Q220 PolarHBondContact O-N 3.35Å | ||
| 219 | K | 46.8 | Very low | 59.2 | Low | 207 Ų | 207 | 138.6 Ų | 138.6 | 90% | 0.9 | 69% | 0.692 | S | S | * | * | trans | -80.4 | 81.7 | -167.6 | -147.2 | 161.5 | -169.1 | 167.6 | 0 | 108.8 | K217 R221 | K217-K219 PolarHBondContact O-N 2.77Å; K219-R221 PolarHBondContact O-N 3.04Å | ||
| 220 | Q | 45.7 | Very low | 61.5 | Low | 168 Ų | 168 | 139.4 Ų | 139.4 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -39.1 | 110.8 | -167.3 | -174.8 | 66.8 | -2.5 | 0 | 0 | 111.6 | R218 R222 | R218-Q220 VanDerWaalsContact C-N 3.27Å; R218-Q220 PolarHBondContact O-N 3.35Å; Q220-R222 PolarHBondContact O-N 2.8Å; Q220-R222 VanDerWaalsContact O-N 3.09Å | ||
| 221 | R | 55.9 | Low | 64.4 | Low | 166 Ų | 166 | 135.5 Ų | 135.5 | 63% | 0.626 | 66% | 0.661 | S | S | * | * | trans | -63.1 | 117.5 | -170.5 | -159 | -171 | 76.6 | -145.3 | -5.5 | 108.9 | E92 K219 S223 | E92-R221 WeakPolarHBondContact OE1-CD 3.42Å; K219-R221 PolarHBondContact O-N 3.04Å; R221-S223 PolarHBondContact O-N 3Å; R221-S223 VanDerWaalsContact O-N 3.11Å | ||
| 222 | R | 64 | Low | 67 | Low | 234 Ų | 234 | 131.4 Ų | 131.4 | 88% | 0.883 | 64% | 0.643 | S | S | * | * | trans | -45.5 | 120.5 | -173.6 | -172.7 | -177.7 | -68.9 | -132.6 | 3.5 | 110.3 | Q220 R224 | Q220-R222 PolarHBondContact O-N 2.8Å; Q220-R222 VanDerWaalsContact O-N 3.09Å; R222-R224 PolarHBondContact O-N 3.06Å | ||
| 223 | S | 66.2 | Low | 69.4 | Low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 133.4 | -169.5 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | R221 T225 | R221-S223 PolarHBondContact O-N 3Å; R221-S223 VanDerWaalsContact O-N 3.11Å; S223-T225 PolarHBondContact O-N 2.9Å |
| 224 | R | 84.6 | Confident | 72.1 | Confident | 217 Ų | 217 | 129 Ų | 129 | 82% | 0.819 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -74 | 123 | 178.7 | -177.9 | -176.7 | 179.7 | 109.8 | 5.1 | 108.7 | R222 T226 | R222-R224 PolarHBondContact O-N 3.06Å; R224-T226 PolarHBondContact O-N 3.18Å; R224-T226 VanDerWaalsContact O-N 3.13Å |
| 225 | T | 84.9 | Confident | 74.8 | Confident | 45 Ų | 45 | 122.2 Ų | 122.2 | 28% | 0.276 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -54.5 | 117.2 | 170.4 | -46 | 0 | 0 | 0 | 0 | 110.4 | S223 L259 R263 | S223-T225 PolarHBondContact O-N 2.9Å; T225-L259 HydrophobicContact CG2-CD2 4.05Å; T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.28Å; T225-R263 WeakPolarHBondContact OG1-CD 3.42Å |
| 226 | T | 89 | Confident | 77.4 | Confident | 123 Ų | 123 | 120.6 Ų | 120.6 | 76% | 0.755 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 129.8 | 164.1 | 45.4 | 0 | 0 | 0 | 0 | 107.7 | R224 | R224-T226 PolarHBondContact O-N 3.18Å; R224-T226 VanDerWaalsContact O-N 3.13Å |
| 227 | F | 92.7 | Very high | 79.9 | Confident | 65 Ų | 65 | 119.3 Ų | 119.3 | 29% | 0.285 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -88.1 | 141.5 | 177.3 | -58.5 | -102.6 | 0 | 0 | 0 | 108.9 | Q231 L232 L235 L259 W267 | F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.43Å; F227-L232 HydrophobicContact CB-CD1 4.31Å; F227-L232 HydrophobicContact CB-CD2 3.73Å; F227-L232 HydrophobicContact CB-CG 3.75Å; F227-L232 HydrophobicContact CD1-CD2 4.43Å; F227-L232 HydrophobicContact CG-CD2 4.03Å; F227-L235 HydrophobicContact CD1-CD1 3.95Å; F227-L235 HydrophobicContact CE1-CD1 3.95Å; F227-L259 HydrophobicContact CD1-CD1 3.67Å; F227-L259 HydrophobicContact CE1-CD1 3.54Å; F227-W267 HydrophobicContact CE1-CB 4.17Å; F227-W267 AromaticContact CE1-CD1 3.63Å; F227-W267 HydrophobicContact CE1-CG 4.17Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.64Å; F227-W267 HydrophobicContact CZ-CG 4.21Å |
| 228 | T | 94.8 | Very high | 82.4 | Confident | 69 Ų | 69 | 110.7 Ų | 110.7 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 169.6 | 168.2 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | Q231 L232 | T228-Q231 PolarHBondContact O-N 2.84Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.2Å; T228-Q231 VanDerWaalsContact OG1-CG 3.23Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.24Å; T228-Q231 PolarHBondContact OG1-N 2.99Å; T228-Q231 VanDerWaalsContact OG1-N 3.13Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 3.26Å; T228-L232 VanDerWaalsContact O-N 3.12Å |
| 229 | A | 93.8 | Very high | 85 | Confident | 84 Ų | 84 | 99.6 Ų | 99.6 | 69% | 0.694 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.4 | -50.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q231 L232 E233 | A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.21Å; A229-L232 CarbonylContact O-C 3.6Å; A229-L232 WeakPolarHBondContact O-CA 3.45Å; A229-L232 WeakPolarHBondContact O-CB 3.41Å; A229-L232 PolarHBondContact O-N 3.04Å; A229-E233 PolarHBondContact O-N 2.82Å |
| 230 | E | 94.5 | Very high | 87.3 | Confident | 152 Ų | 152 | 97 Ų | 97 | 71% | 0.71 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -51.8 | -45.9 | 173.1 | 179.1 | -166.9 | -166.6 | 0 | 0 | 112.8 | L232 E233 E234 | E230-L232 VanDerWaalsContact C-N 3.29Å; E230-L232 PolarHBondContact O-N 2.89Å; E230-E233 PolarHBondContact O-N 3.3Å; E230-E234 PolarHBondContact O-N 3.14Å |
| 231 | Q | 95.9 | Very high | 89.7 | Confident | 30 Ų | 30 | 99.6 Ų | 99.6 | 14% | 0.14 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.4 | -33.6 | 176.1 | -75.4 | 173.9 | -18.2 | 0 | 0 | 112.6 | F227 T228 A229 L235 T257 | F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.43Å; T228-Q231 PolarHBondContact O-N 2.84Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.2Å; T228-Q231 VanDerWaalsContact OG1-CG 3.23Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.24Å; T228-Q231 PolarHBondContact OG1-N 2.99Å; T228-Q231 VanDerWaalsContact OG1-N 3.13Å; A229-Q231 VanDerWaalsContact C-N 3.33Å; A229-Q231 PolarHBondContact O-N 3.21Å; Q231-L235 WeakPolarHBondContact O-CB 3.44Å; Q231-L235 VanDerWaalsContact O-CD1 3.22Å; Q231-L235 WeakPolarHBondContact O-CD1 3.49Å; Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 2.82Å; Q231-T257 PolarHBondContact NE2-O 3.31Å |
| 232 | L | 97.2 | Very high | 91.6 | Very high | 60 Ų | 60 | 94.1 Ų | 94.1 | 31% | 0.314 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -75.1 | -36.7 | 175.6 | -69.5 | 171.3 | 0 | 0 | 0 | 111.5 | F227 T228 A229 E230 L235 E236 W267 | F227-L232 HydrophobicContact CB-CD1 4.31Å; F227-L232 HydrophobicContact CB-CD2 3.73Å; F227-L232 HydrophobicContact CB-CG 3.75Å; F227-L232 HydrophobicContact CD1-CD2 4.43Å; F227-L232 HydrophobicContact CG-CD2 4.03Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 3.26Å; T228-L232 VanDerWaalsContact O-N 3.12Å; A229-L232 CarbonylContact O-C 3.6Å; A229-L232 WeakPolarHBondContact O-CA 3.45Å; A229-L232 WeakPolarHBondContact O-CB 3.41Å; A229-L232 PolarHBondContact O-N 3.04Å; E230-L232 VanDerWaalsContact C-N 3.29Å; E230-L232 PolarHBondContact O-N 2.89Å; L232-L235 PolarHBondContact O-N 3.19Å; L232-E236 WeakPolarHBondContact O-CB 3.41Å; L232-E236 WeakPolarHBondContact O-CG 3.37Å; L232-E236 PolarHBondContact O-N 2.66Å; L232-W267 VanDerWaalsContact CD2-NE1 3.29Å |
| 233 | E | 96.8 | Very high | 93.1 | Very high | 136 Ų | 136 | 86 Ų | 86 | 64% | 0.636 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.5 | -53.6 | 179.7 | -170.1 | -178.6 | 155.8 | 0 | 0 | 112 | A229 E230 L235 E236 K237 | A229-E233 PolarHBondContact O-N 2.82Å; E230-E233 PolarHBondContact O-N 3.3Å; E233-L235 VanDerWaalsContact C-N 3.27Å; E233-L235 PolarHBondContact O-N 3.18Å; E233-E236 PolarHBondContact O-N 2.89Å; E233-K237 VanDerWaalsContact O-CB 3.22Å; E233-K237 WeakPolarHBondContact O-CB 3.11Å; E233-K237 PolarHBondContact O-N 3Å |
| 234 | E | 96.4 | Very high | 94.6 | Very high | 38 Ų | 38 | 88.5 Ų | 88.5 | 18% | 0.178 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -64.9 | -31.6 | 178.3 | -175 | 74.7 | 165.3 | 0 | 0 | 111.7 | E230 K237 A238 L253 R256 | E230-E234 PolarHBondContact O-N 3.14Å; E234-K237 WeakPolarHBondContact OE2-CD 3.36Å; E234-K237 IonicContact OE2-NZ 3.35Å; E234-K237 PolarHBondContact OE2-NZ 3.4Å; E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.24Å; E234-A238 PolarHBondContact O-N 3.28Å; E234-L253 HydrophobicContact CG-CD2 4.05Å; E234-R256 VanDerWaalsContact OE1-CD 3.24Å; E234-R256 WeakPolarHBondContact OE1-CD 3.36Å; E234-R256 IonicContact OE1-CZ 2.7Å; E234-R256 IonicContact OE1-NE 2.72Å; E234-R256 IonicContact OE1-NH1 2.59Å; E234-R256 PolarHBondContact OE1-NH1 3.5Å |
| 235 | L | 97.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -71 | -36.1 | 173.6 | -72.9 | 173.1 | 0 | 0 | 0 | 113.2 | F227 Q231 L232 E233 F239 L253 T257 V264 W267 F268 | F227-L235 HydrophobicContact CD1-CD1 3.95Å; F227-L235 HydrophobicContact CE1-CD1 3.95Å; Q231-L235 WeakPolarHBondContact O-CB 3.44Å; Q231-L235 VanDerWaalsContact O-CD1 3.22Å; Q231-L235 WeakPolarHBondContact O-CD1 3.49Å; Q231-L235 WeakPolarHBondContact O-CG 3.48Å; Q231-L235 PolarHBondContact O-N 2.82Å; L232-L235 PolarHBondContact O-N 3.19Å; E233-L235 VanDerWaalsContact C-N 3.27Å; E233-L235 PolarHBondContact O-N 3.18Å; L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 3.47Å; L235-L253 HydrophobicContact CD2-CB 4.47Å; L235-T257 HydrophobicContact CD2-CG2 4.43Å; L235-T257 HydrophobicContact CG-CG2 4.13Å; L235-V264 HydrophobicContact CD2-CG1 3.92Å; L235-V264 HydrophobicContact CD2-CG2 4.34Å; L235-W267 HydrophobicContact CB-CD2 4.09Å; L235-W267 HydrophobicContact CB-CE3 4.03Å; L235-W267 HydrophobicContact CB-CH2 3.83Å; L235-W267 HydrophobicContact CB-CZ2 3.85Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.5Å; L235-W267 HydrophobicContact CD1-CD2 3.92Å; L235-W267 HydrophobicContact CD1-CE3 4.43Å; L235-W267 HydrophobicContact CD1-CG 3.89Å; L235-W267 HydrophobicContact CD2-CE3 4.4Å; L235-W267 HydrophobicContact CG-CD2 4.45Å; L235-W267 WeakPolarHBondContact O-CH2 3.42Å; L235-W267 WeakPolarHBondContact O-CZ3 3.44Å; L235-F268 HydrophobicContact CD2-CE2 3.87Å |
| 236 | E | 97.1 | Very high | 95.7 | Very high | 61 Ų | 61 | 79.7 Ų | 79.7 | 29% | 0.285 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -77.1 | -41.1 | 178.3 | -69.8 | -166.4 | -178.1 | 0 | 0 | 111.8 | L232 E233 A238 F239 E240 W267 R271 | L232-E236 WeakPolarHBondContact O-CB 3.41Å; L232-E236 WeakPolarHBondContact O-CG 3.37Å; L232-E236 PolarHBondContact O-N 2.66Å; E233-E236 PolarHBondContact O-N 2.89Å; E236-A238 VanDerWaalsContact C-N 3.3Å; E236-A238 PolarHBondContact O-N 3.07Å; E236-F239 CarbonylContact O-C 3.52Å; E236-F239 WeakPolarHBondContact O-CA 3.36Å; E236-F239 VanDerWaalsContact O-CB 3.31Å; E236-F239 WeakPolarHBondContact O-CB 3.44Å; E236-F239 PolarHBondContact O-N 2.98Å; E236-E240 WeakPolarHBondContact O-CG 3.22Å; E236-E240 PolarHBondContact O-N 3.47Å; E236-W267 HydrophobicContact CB-CH2 4.5Å; E236-W267 HydrophobicContact CG-CH2 3.6Å; E236-W267 HydrophobicContact CG-CZ2 3.49Å; E236-W267 VanDerWaalsContact CG-CZ2 3.49Å; E236-R271 IonicContact OE1-CZ 2.73Å; E236-R271 VanDerWaalsContact OE1-CZ 3.3Å; E236-R271 IonicContact OE1-NE 3.91Å; E236-R271 IonicContact OE1-NH1 2.69Å; E236-R271 PolarHBondContact OE1-NH1 3.08Å; E236-R271 IonicContact OE1-NH2 3.88Å; E236-R271 IonicContact OE2-CZ 3.13Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 2.93Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 2.93Å |
| 237 | K | 96.8 | Very high | 96.1 | Very high | 114 Ų | 114 | 77 Ų | 77 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -57.4 | -38.5 | 168.9 | 177.7 | 178.4 | 164.8 | -155.2 | 0 | 112.9 | E233 E234 R241 | E233-K237 VanDerWaalsContact O-CB 3.22Å; E233-K237 WeakPolarHBondContact O-CB 3.11Å; E233-K237 PolarHBondContact O-N 3Å; E234-K237 WeakPolarHBondContact OE2-CD 3.36Å; E234-K237 IonicContact OE2-NZ 3.35Å; E234-K237 PolarHBondContact OE2-NZ 3.4Å; K237-R241 PolarHBondContact O-N 3.48Å |
| 238 | A | 96.5 | Very high | 96.4 | Very high | 13 Ų | 13 | 82 Ų | 82 | 11% | 0.107 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.7 | -32.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E234 E236 E240 R241 T242 L253 F268 | E234-A238 VanDerWaalsContact O-CB 3.24Å; E234-A238 WeakPolarHBondContact O-CB 3.24Å; E234-A238 PolarHBondContact O-N 3.28Å; E236-A238 VanDerWaalsContact C-N 3.3Å; E236-A238 PolarHBondContact O-N 3.07Å; A238-E240 VanDerWaalsContact C-N 3.33Å; A238-R241 PolarHBondContact O-N 3.35Å; A238-T242 PolarHBondContact O-N 3.09Å; A238-L253 HydrophobicContact CB-CD1 3.64Å; A238-L253 HydrophobicContact CB-CD2 3.7Å; A238-L253 HydrophobicContact CB-CG 4.31Å; A238-F268 HydrophobicContact CB-CZ 4.11Å |
| 239 | F | 97.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 81.1 Ų | 81.1 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66 | -34 | 175.1 | -173 | -96 | 0 | 0 | 0 | 112.7 | L235 E236 T242 H243 W267 F268 R271 R272 W275 | L235-F239 WeakPolarHBondContact O-CB 3.49Å; L235-F239 PolarHBondContact O-N 3.47Å; E236-F239 CarbonylContact O-C 3.52Å; E236-F239 WeakPolarHBondContact O-CA 3.36Å; E236-F239 VanDerWaalsContact O-CB 3.31Å; E236-F239 WeakPolarHBondContact O-CB 3.44Å; E236-F239 PolarHBondContact O-N 2.98Å; F239-T242 CarbonylContact O-C 3.17Å; F239-T242 PolarHBondContact O-N 2.95Å; F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.36Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.29Å; F239-H243 AromaticContact CE2-CD2 3.82Å; F239-H243 HydrophobicContact CZ-CB 4.38Å; F239-H243 AromaticContact CZ-CD2 3.3Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.4Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.1Å; F239-H243 VanDerWaalsContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.28Å; F239-W267 HydrophobicContact CB-CH2 4.12Å; F239-W267 HydrophobicContact CB-CZ3 4.11Å; F239-W267 HydrophobicContact CD2-CZ3 4.18Å; F239-W267 HydrophobicContact CG-CH2 4.48Å; F239-W267 HydrophobicContact CG-CZ3 4.42Å; F239-F268 HydrophobicContact CB-CE1 3.99Å; F239-F268 HydrophobicContact CB-CZ 4.38Å; F239-F268 AromaticContact CD2-CD1 3.7Å; F239-F268 HydrophobicContact CD2-CD1 3.7Å; F239-F268 AromaticContact CD2-CE1 3.73Å; F239-F268 HydrophobicContact CD2-CE1 3.73Å; F239-F268 HydrophobicContact CE2-CD1 4.4Å; F239-F268 HydrophobicContact CG-CE1 4.35Å; F239-R271 HydrophobicContact CD1-CG 3.82Å; F239-R271 HydrophobicContact CD2-CB 4.06Å; F239-R271 HydrophobicContact CD2-CG 3.51Å; F239-R271 HydrophobicContact CE1-CG 3.71Å; F239-R271 HydrophobicContact CE2-CB 3.83Å; F239-R271 HydrophobicContact CE2-CG 3.41Å; F239-R271 VanDerWaalsContact CE2-CG 3.41Å; F239-R271 HydrophobicContact CG-CG 3.73Å; F239-R271 HydrophobicContact CZ-CB 4.28Å; F239-R271 HydrophobicContact CZ-CG 3.53Å; F239-R272 HydrophobicContact CE2-CG 3.8Å; F239-R272 HydrophobicContact CZ-CG 4.26Å; F239-W275 HydrophobicContact CE1-CB 4.48Å; F239-W275 HydrophobicContact CE1-CG 4.49Å; F239-W275 HydrophobicContact CZ-CB 4.2Å; F239-W275 HydrophobicContact CZ-CG 4.45Å |
| 240 | E | 96.4 | Very high | 96.6 | Very high | 152 Ų | 152 | 79 Ų | 79 | 71% | 0.71 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -66.3 | -39.2 | 173 | -71.2 | 169.8 | 177.1 | 0 | 0 | 112.3 | E236 A238 | E236-E240 WeakPolarHBondContact O-CG 3.22Å; E236-E240 PolarHBondContact O-N 3.47Å; A238-E240 VanDerWaalsContact C-N 3.33Å |
| 241 | R | 95.6 | Very high | 96.8 | Very high | 222 Ų | 222 | 75.8 Ų | 75.8 | 84% | 0.838 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -66.5 | -41.9 | 172 | -75.2 | -179.8 | 60.7 | 84.8 | -2.8 | 112.6 | K237 A238 | K237-R241 PolarHBondContact O-N 3.48Å; A238-R241 PolarHBondContact O-N 3.35Å |
| 242 | T | 95.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 79.5 Ų | 79.5 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | trans | -155.6 | 128.7 | 173.1 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | A238 F239 Y244 P245 | A238-T242 PolarHBondContact O-N 3.09Å; F239-T242 CarbonylContact O-C 3.17Å; F239-T242 PolarHBondContact O-N 2.95Å; T242-Y244 PolarHBondContact O-N 2.95Å; T242-Y244 VanDerWaalsContact OG1-C 3.24Å; T242-Y244 PolarHBondContact OG1-N 2.73Å; T242-Y244 PolarHBondContact OG1-O 2.71Å; T242-P245 HydrophobicContact CG2-CB 4.01Å | ||
| 243 | H | 95.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 77 Ų | 77 | 29% | 0.292 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -65.9 | -19.2 | 169.5 | -61.6 | 148.2 | 0 | 0 | 0 | 112.9 | F239 R272 W275 | F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.36Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.29Å; F239-H243 AromaticContact CE2-CD2 3.82Å; F239-H243 HydrophobicContact CZ-CB 4.38Å; F239-H243 AromaticContact CZ-CD2 3.3Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.4Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.1Å; F239-H243 VanDerWaalsContact O-CD2 3.24Å; F239-H243 PolarHBondContact O-N 3.28Å; H243-R272 HydrophobicContact CB-CG 4.47Å; H243-R272 VanDerWaalsContact O-CD 3.23Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.3Å; H243-R272 PolarHBondContact O-NH1 3.2Å; H243-W275 AromaticContact CE1-CE2 3.85Å; H243-W275 AromaticContact CE1-CZ2 3.98Å; H243-W275 AromaticContact CE1-NE1 3.93Å; H243-W275 AromaticContact NE2-NE1 4Å |
| 244 | Y | 97 | Very high | 96.9 | Very high | 158 Ų | 158 | 71 Ų | 71 | 62% | 0.62 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -132.3 | 74.5 | -176.2 | -64.8 | -90.5 | 0 | 0 | 0 | 110.9 | T242 R272 | T242-Y244 PolarHBondContact O-N 2.95Å; T242-Y244 VanDerWaalsContact OG1-C 3.24Å; T242-Y244 PolarHBondContact OG1-N 2.73Å; T242-Y244 PolarHBondContact OG1-O 2.71Å; Y244-R272 VanDerWaalsContact CE1-NE 3.32Å |
| 245 | P | 96.7 | Very high | 96.9 | Very high | 8 Ų | 8 | 76.3 Ų | 76.3 | 5% | 0.052 | 35% | 0.347 | C | S | . | . | trans | -66.3 | 142.2 | 172.7 | 29.4 | -36.8 | 0 | 0 | 0 | 111.2 | T242 T249 R250 F268 | T242-P245 HydrophobicContact CG2-CB 4.01Å; P245-T249 HydrophobicContact CB-CG2 3.69Å; P245-R250 HydrophobicContact CB-CG 3.88Å; P245-R250 HydrophobicContact CG-CG 3.66Å; P245-R250 PolarHBondContact O-NH1 3.49Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.09Å; P245-F268 HydrophobicContact CG-CE1 3.49Å; P245-F268 VanDerWaalsContact CG-CE1 3.49Å; P245-F268 HydrophobicContact CG-CE2 4.06Å; P245-F268 HydrophobicContact CG-CG 3.87Å; P245-F268 HydrophobicContact CG-CZ 3.78Å | ||
| 246 | D | 97.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 83.6 Ų | 83.6 | 37% | 0.369 | 37% | 0.374 | S | S | . | . | trans | -72.6 | -170.3 | 177.1 | 84.1 | -57.6 | 0 | 0 | 0 | 111.7 | Y248 T249 R250 | D246-Y248 VanDerWaalsContact OD2-CD2 3.23Å; D246-Y248 WeakPolarHBondContact OD2-CD2 3.49Å; D246-Y248 PolarHBondContact OD2-N 3Å; D246-T249 WeakPolarHBondContact OD1-CB 3.47Å; D246-T249 PolarHBondContact OD1-N 3.37Å; D246-T249 PolarHBondContact OD1-OG1 3.46Å; D246-R250 VanDerWaalsContact O-CG 3.22Å; D246-R250 WeakPolarHBondContact O-CG 3.35Å; D246-R250 VanDerWaalsContact O-CZ 3.28Å; D246-R250 PolarHBondContact O-N 2.87Å; D246-R250 PolarHBondContact O-NH1 3.1Å | ||
| 247 | I | 97.3 | Very high | 96.8 | Very high | 67 Ų | 67 | 81.1 Ų | 81.1 | 34% | 0.344 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 178.8 | -175.3 | 60 | 0 | 0 | 0 | 111.6 | T249 R250 E251 E261 | I247-T249 PolarHBondContact O-N 2.87Å; I247-R250 PolarHBondContact O-N 3.36Å; I247-R250 VanDerWaalsContact O-N 3.09Å; I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.43Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 2.59Å; I247-E261 HydrophobicContact CD1-CG 4.04Å |
| 248 | Y | 97.7 | Very high | 96.8 | Very high | 170 Ų | 170 | 84.7 Ų | 84.7 | 67% | 0.667 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -66.4 | -43.8 | -173.5 | -56.7 | -62.8 | 0 | 0 | 0 | 111.4 | D246 R250 E251 E252 | D246-Y248 VanDerWaalsContact OD2-CD2 3.23Å; D246-Y248 WeakPolarHBondContact OD2-CD2 3.49Å; D246-Y248 PolarHBondContact OD2-N 3Å; Y248-R250 VanDerWaalsContact C-N 3.26Å; Y248-R250 PolarHBondContact O-N 3Å; Y248-E251 PolarHBondContact O-N 3.33Å; Y248-E251 VanDerWaalsContact O-N 3.1Å; Y248-E252 PolarHBondContact O-N 2.95Å |
| 249 | T | 96.9 | Very high | 96.7 | Very high | 49 Ų | 49 | 85.5 Ų | 85.5 | 30% | 0.301 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59 | -36.9 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | P245 D246 I247 L253 | P245-T249 HydrophobicContact CB-CG2 3.69Å; D246-T249 WeakPolarHBondContact OD1-CB 3.47Å; D246-T249 PolarHBondContact OD1-N 3.37Å; D246-T249 PolarHBondContact OD1-OG1 3.46Å; I247-T249 PolarHBondContact O-N 2.87Å; T249-L253 HydrophobicContact CG2-CD1 4.09Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.29Å; T249-L253 WeakPolarHBondContact O-CG 3.47Å; T249-L253 PolarHBondContact O-N 3.01Å; T249-L253 VanDerWaalsContact O-N 3.11Å |
| 250 | R | 97.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 89.4 Ų | 89.4 | 16% | 0.155 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.5 | -28.4 | 178 | -67.6 | -174.2 | -37.2 | -92.3 | -5.3 | 112.7 | P245 D246 I247 Y248 A254 E261 V264 | P245-R250 HydrophobicContact CB-CG 3.88Å; P245-R250 HydrophobicContact CG-CG 3.66Å; P245-R250 PolarHBondContact O-NH1 3.49Å; D246-R250 VanDerWaalsContact O-CG 3.22Å; D246-R250 WeakPolarHBondContact O-CG 3.35Å; D246-R250 VanDerWaalsContact O-CZ 3.28Å; D246-R250 PolarHBondContact O-N 2.87Å; D246-R250 PolarHBondContact O-NH1 3.1Å; I247-R250 PolarHBondContact O-N 3.36Å; I247-R250 VanDerWaalsContact O-N 3.09Å; Y248-R250 VanDerWaalsContact C-N 3.26Å; Y248-R250 PolarHBondContact O-N 3Å; R250-A254 VanDerWaalsContact O-CB 3.24Å; R250-A254 WeakPolarHBondContact O-CB 3.22Å; R250-A254 PolarHBondContact O-N 3.46Å; R250-E261 HydrophobicContact CB-CG 4.08Å; R250-E261 IonicContact CZ-OE1 3.16Å; R250-E261 IonicContact NE-OE1 2.71Å; R250-E261 PolarHBondContact NE-OE1 2.89Å; R250-E261 IonicContact NH2-OE1 2.73Å; R250-E261 PolarHBondContact NH2-OE1 2.81Å; R250-V264 HydrophobicContact CB-CG1 4.12Å; R250-V264 HydrophobicContact CG-CG1 4.1Å |
| 251 | E | 97.9 | Very high | 96.7 | Very high | 84 Ų | 84 | 84.1 Ų | 84.1 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -74.7 | -40.2 | 174.1 | -71.8 | 177.9 | 166.2 | 0 | 0 | 112.2 | I247 Y248 A254 Q255 E261 | I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.43Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 2.59Å; Y248-E251 PolarHBondContact O-N 3.33Å; Y248-E251 VanDerWaalsContact O-N 3.1Å; E251-A254 WeakPolarHBondContact O-CB 3.25Å; E251-A254 PolarHBondContact O-N 2.92Å; E251-Q255 WeakPolarHBondContact O-CG 3.41Å; E251-Q255 PolarHBondContact O-N 3.33Å; E251-Q255 PolarHBondContact O-NE2 3Å; E251-E261 HydrophobicContact CG-CB 4.44Å; E251-E261 HydrophobicContact CG-CG 4.11Å |
| 252 | E | 97.2 | Very high | 96.7 | Very high | 107 Ų | 107 | 75.5 Ų | 75.5 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 170.2 | -72.6 | -160.3 | 115.8 | 0 | 0 | 111.6 | Y248 A254 Q255 R256 | Y248-E252 PolarHBondContact O-N 2.95Å; E252-A254 VanDerWaalsContact C-N 3.3Å; E252-A254 PolarHBondContact O-N 3.43Å; E252-Q255 PolarHBondContact O-N 2.62Å; E252-R256 WeakPolarHBondContact O-CG 3.14Å; E252-R256 PolarHBondContact O-N 3.13Å |
| 253 | L | 96.9 | Very high | 96.7 | Very high | 9 Ų | 9 | 77.6 Ų | 77.6 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 177.1 | -70.6 | 168.4 | 0 | 0 | 0 | 112 | E234 L235 A238 T249 T257 V264 F268 | E234-L253 HydrophobicContact CG-CD2 4.05Å; L235-L253 HydrophobicContact CD2-CB 4.47Å; A238-L253 HydrophobicContact CB-CD1 3.64Å; A238-L253 HydrophobicContact CB-CD2 3.7Å; A238-L253 HydrophobicContact CB-CG 4.31Å; T249-L253 HydrophobicContact CG2-CD1 4.09Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.29Å; T249-L253 WeakPolarHBondContact O-CG 3.47Å; T249-L253 PolarHBondContact O-N 3.01Å; T249-L253 VanDerWaalsContact O-N 3.11Å; L253-T257 VanDerWaalsContact O-CB 3.32Å; L253-T257 WeakPolarHBondContact O-CB 3.41Å; L253-T257 WeakPolarHBondContact O-CG2 3.45Å; L253-T257 PolarHBondContact O-N 3.44Å; L253-T257 PolarHBondContact O-OG1 3.48Å; L253-V264 HydrophobicContact CB-CG1 4.12Å; L253-V264 HydrophobicContact CB-CG2 4.48Å; L253-V264 HydrophobicContact CD1-CG1 4.36Å; L253-F268 HydrophobicContact CD1-CE2 3.9Å; L253-F268 HydrophobicContact CD1-CZ 4.06Å |
| 254 | A | 97.4 | Very high | 96.8 | Very high | 8 Ų | 8 | 74.6 Ų | 74.6 | 7% | 0.066 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | R250 E251 E252 K258 L259 E261 V264 | R250-A254 VanDerWaalsContact O-CB 3.24Å; R250-A254 WeakPolarHBondContact O-CB 3.22Å; R250-A254 PolarHBondContact O-N 3.46Å; E251-A254 WeakPolarHBondContact O-CB 3.25Å; E251-A254 PolarHBondContact O-N 2.92Å; E252-A254 VanDerWaalsContact C-N 3.3Å; E252-A254 PolarHBondContact O-N 3.43Å; A254-K258 WeakPolarHBondContact O-CA 3.37Å; A254-K258 PolarHBondContact O-N 2.92Å; A254-L259 CarbonylContact C-O 3.56Å; A254-L259 WeakPolarHBondContact CB-O 3.43Å; A254-L259 PolarHBondContact O-N 3.01Å; A254-E261 HydrophobicContact CB-CB 4.5Å; A254-V264 HydrophobicContact CB-CG2 4.03Å |
| 255 | Q | 97.4 | Very high | 96.8 | Very high | 151 Ų | 151 | 71.4 Ų | 71.4 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.4 | -53.3 | 175.1 | -69.2 | 173 | 60.2 | 0 | 0 | 111.9 | E251 E252 T257 K258 | E251-Q255 WeakPolarHBondContact O-CG 3.41Å; E251-Q255 PolarHBondContact O-N 3.33Å; E251-Q255 PolarHBondContact O-NE2 3Å; E252-Q255 PolarHBondContact O-N 2.62Å; Q255-T257 PolarHBondContact O-N 3.23Å; Q255-K258 PolarHBondContact O-N 3.14Å; Q255-K258 VanDerWaalsContact O-N 3.14Å |
| 256 | R | 95.8 | Very high | 96.8 | Very high | 153 Ų | 153 | 74.1 Ų | 74.1 | 58% | 0.577 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -58.4 | -47.6 | -179.9 | -69.9 | -175.6 | -170.7 | -176.6 | 5 | 112.5 | E234 E252 K258 | E234-R256 VanDerWaalsContact OE1-CD 3.24Å; E234-R256 WeakPolarHBondContact OE1-CD 3.36Å; E234-R256 IonicContact OE1-CZ 2.7Å; E234-R256 IonicContact OE1-NE 2.72Å; E234-R256 IonicContact OE1-NH1 2.59Å; E234-R256 PolarHBondContact OE1-NH1 3.5Å; E252-R256 WeakPolarHBondContact O-CG 3.14Å; E252-R256 PolarHBondContact O-N 3.13Å; R256-K258 VanDerWaalsContact C-N 3.25Å; R256-K258 PolarHBondContact O-N 3.21Å |
| 257 | T | 95.2 | Very high | 96.8 | Very high | 8 Ų | 8 | 72 Ų | 72 | 5% | 0.049 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -77.7 | -6.8 | -179.2 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | Q231 L235 L253 Q255 L259 | Q231-T257 PolarHBondContact NE2-O 3.31Å; L235-T257 HydrophobicContact CD2-CG2 4.43Å; L235-T257 HydrophobicContact CG-CG2 4.13Å; L253-T257 VanDerWaalsContact O-CB 3.32Å; L253-T257 WeakPolarHBondContact O-CB 3.41Å; L253-T257 WeakPolarHBondContact O-CG2 3.45Å; L253-T257 PolarHBondContact O-N 3.44Å; L253-T257 PolarHBondContact O-OG1 3.48Å; Q255-T257 PolarHBondContact O-N 3.23Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 3.15Å; T257-L259 WeakPolarHBondContact OG1-CG 3.48Å |
| 258 | K | 96.5 | Very high | 96.8 | Very high | 189 Ų | 189 | 68.8 Ų | 68.8 | 82% | 0.822 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 41.7 | -173.2 | -57.7 | 170.6 | -175.1 | 167 | 0 | 112.2 | A254 Q255 R256 | A254-K258 WeakPolarHBondContact O-CA 3.37Å; A254-K258 PolarHBondContact O-N 2.92Å; Q255-K258 PolarHBondContact O-N 3.14Å; Q255-K258 VanDerWaalsContact O-N 3.14Å; R256-K258 VanDerWaalsContact C-N 3.25Å; R256-K258 PolarHBondContact O-N 3.21Å |
| 259 | L | 94.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 16% | 0.162 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -118.1 | 170.9 | 177 | -61.4 | 179.1 | 0 | 0 | 0 | 110 | T225 F227 A254 T257 R263 | T225-L259 HydrophobicContact CG2-CD2 4.05Å; F227-L259 HydrophobicContact CD1-CD1 3.67Å; F227-L259 HydrophobicContact CE1-CD1 3.54Å; A254-L259 CarbonylContact C-O 3.56Å; A254-L259 WeakPolarHBondContact CB-O 3.43Å; A254-L259 PolarHBondContact O-N 3.01Å; T257-L259 VanDerWaalsContact C-N 3.28Å; T257-L259 PolarHBondContact O-N 3.15Å; T257-L259 WeakPolarHBondContact OG1-CG 3.48Å; L259-R263 HydrophobicContact CB-CB 4.21Å |
| 260 | T | 96.6 | Very high | 96.8 | Very high | 87 Ų | 87 | 65.7 Ų | 65.7 | 53% | 0.534 | 32% | 0.321 | S | S | . | . | trans | -86 | 152.5 | 167.8 | 70 | 0 | 0 | 0 | 0 | 110.8 | A262 R263 V264 | T260-A262 PolarHBondContact O-N 3.39Å; T260-R263 WeakPolarHBondContact O-CA 3.31Å; T260-R263 WeakPolarHBondContact O-CB 3.43Å; T260-R263 PolarHBondContact O-N 2.82Å; T260-V264 PolarHBondContact O-N 3.21Å | ||
| 261 | E | 96.9 | Very high | 96.7 | Very high | 41 Ų | 41 | 67 Ų | 67 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -48 | -45.2 | 173.5 | -173.6 | -74.9 | 160.3 | 0 | 0 | 110.8 | I247 R250 E251 A254 R263 V264 Q265 | I247-E261 HydrophobicContact CD1-CG 4.04Å; R250-E261 HydrophobicContact CB-CG 4.08Å; R250-E261 IonicContact CZ-OE1 3.16Å; R250-E261 IonicContact NE-OE1 2.71Å; R250-E261 PolarHBondContact NE-OE1 2.89Å; R250-E261 IonicContact NH2-OE1 2.73Å; R250-E261 PolarHBondContact NH2-OE1 2.81Å; E251-E261 HydrophobicContact CG-CB 4.44Å; E251-E261 HydrophobicContact CG-CG 4.11Å; A254-E261 HydrophobicContact CB-CB 4.5Å; E261-R263 PolarHBondContact O-N 2.99Å; E261-V264 CarbonylContact O-C 3.45Å; E261-V264 WeakPolarHBondContact O-CA 3.48Å; E261-V264 WeakPolarHBondContact O-CB 3.49Å; E261-V264 PolarHBondContact O-N 2.89Å; E261-Q265 WeakPolarHBondContact O-CB 3.24Å; E261-Q265 PolarHBondContact O-N 3.34Å |
| 262 | A | 96 | Very high | 96.6 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -69.7 | -2.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T260 V266 | T260-A262 PolarHBondContact O-N 3.39Å; A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.45Å |
| 263 | R | 96.2 | Very high | 96.4 | Very high | 95 Ų | 95 | 61.8 Ų | 61.8 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -91 | -43.9 | 161.5 | -62 | -59 | 76.6 | 150.3 | 4.2 | 110.8 | T225 L259 T260 E261 V266 W267 | T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.28Å; T225-R263 WeakPolarHBondContact OG1-CD 3.42Å; L259-R263 HydrophobicContact CB-CB 4.21Å; T260-R263 WeakPolarHBondContact O-CA 3.31Å; T260-R263 WeakPolarHBondContact O-CB 3.43Å; T260-R263 PolarHBondContact O-N 2.82Å; E261-R263 PolarHBondContact O-N 2.99Å; R263-V266 PolarHBondContact O-N 3.22Å; R263-W267 WeakPolarHBondContact O-CB 3.33Å; R263-W267 PolarHBondContact O-N 2.85Å |
| 264 | V | 97.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.3 | -51.7 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | L235 R250 L253 A254 T260 E261 V266 W267 F268 | L235-V264 HydrophobicContact CD2-CG1 3.92Å; L235-V264 HydrophobicContact CD2-CG2 4.34Å; R250-V264 HydrophobicContact CB-CG1 4.12Å; R250-V264 HydrophobicContact CG-CG1 4.1Å; L253-V264 HydrophobicContact CB-CG1 4.12Å; L253-V264 HydrophobicContact CB-CG2 4.48Å; L253-V264 HydrophobicContact CD1-CG1 4.36Å; A254-V264 HydrophobicContact CB-CG2 4.03Å; T260-V264 PolarHBondContact O-N 3.21Å; E261-V264 CarbonylContact O-C 3.45Å; E261-V264 WeakPolarHBondContact O-CA 3.48Å; E261-V264 WeakPolarHBondContact O-CB 3.49Å; E261-V264 PolarHBondContact O-N 2.89Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.99Å; V264-W267 WeakPolarHBondContact O-CB 3.45Å; V264-W267 PolarHBondContact O-N 3.37Å; V264-F268 HydrophobicContact CG1-CD2 3.71Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 2.76Å |
| 265 | Q | 97.3 | Very high | 95.8 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54.3 | -45.3 | 176.3 | -167.2 | -154.7 | 52.3 | 0 | 0 | 112.5 | E261 S269 | E261-Q265 WeakPolarHBondContact O-CB 3.24Å; E261-Q265 PolarHBondContact O-N 3.34Å; Q265-S269 WeakPolarHBondContact O-CB 3.41Å; Q265-S269 PolarHBondContact O-N 2.79Å |
| 266 | V | 96.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 39% | 0.388 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 177 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | A262 R263 V264 N270 | A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.45Å; R263-V266 PolarHBondContact O-N 3.22Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.99Å; V266-N270 WeakPolarHBondContact O-CB 3.47Å; V266-N270 PolarHBondContact O-N 3.27Å; V266-N270 PolarHBondContact O-ND2 2.85Å |
| 267 | W | 97.1 | Very high | 94.9 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.6 | -51.1 | 174.8 | -176.8 | 102.9 | 0 | 0 | 0 | 110.7 | F227 L232 L235 E236 F239 R263 V264 S269 N270 R271 | F227-W267 HydrophobicContact CE1-CB 4.17Å; F227-W267 AromaticContact CE1-CD1 3.63Å; F227-W267 HydrophobicContact CE1-CG 4.17Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.64Å; F227-W267 HydrophobicContact CZ-CG 4.21Å; L232-W267 VanDerWaalsContact CD2-NE1 3.29Å; L235-W267 HydrophobicContact CB-CD2 4.09Å; L235-W267 HydrophobicContact CB-CE3 4.03Å; L235-W267 HydrophobicContact CB-CH2 3.83Å; L235-W267 HydrophobicContact CB-CZ2 3.85Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.5Å; L235-W267 HydrophobicContact CD1-CD2 3.92Å; L235-W267 HydrophobicContact CD1-CE3 4.43Å; L235-W267 HydrophobicContact CD1-CG 3.89Å; L235-W267 HydrophobicContact CD2-CE3 4.4Å; L235-W267 HydrophobicContact CG-CD2 4.45Å; L235-W267 WeakPolarHBondContact O-CH2 3.42Å; L235-W267 WeakPolarHBondContact O-CZ3 3.44Å; E236-W267 HydrophobicContact CB-CH2 4.5Å; E236-W267 HydrophobicContact CG-CH2 3.6Å; E236-W267 HydrophobicContact CG-CZ2 3.49Å; E236-W267 VanDerWaalsContact CG-CZ2 3.49Å; F239-W267 HydrophobicContact CB-CH2 4.12Å; F239-W267 HydrophobicContact CB-CZ3 4.11Å; F239-W267 HydrophobicContact CD2-CZ3 4.18Å; F239-W267 HydrophobicContact CG-CH2 4.48Å; F239-W267 HydrophobicContact CG-CZ3 4.42Å; R263-W267 WeakPolarHBondContact O-CB 3.33Å; R263-W267 PolarHBondContact O-N 2.85Å; V264-W267 WeakPolarHBondContact O-CB 3.45Å; V264-W267 PolarHBondContact O-N 3.37Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.45Å; W267-N270 CarbonylContact O-C 3.6Å; W267-N270 WeakPolarHBondContact O-CA 3.08Å; W267-N270 PolarHBondContact O-N 2.73Å; W267-R271 HydrophobicContact CE3-CB 4.17Å; W267-R271 HydrophobicContact CH2-CB 3.94Å; W267-R271 HydrophobicContact CH2-CG 3.66Å; W267-R271 HydrophobicContact CZ2-CB 4.33Å; W267-R271 HydrophobicContact CZ2-CG 4.22Å; W267-R271 HydrophobicContact CZ3-CB 3.86Å; W267-R271 HydrophobicContact CZ3-CG 3.96Å; W267-R271 PolarHBondContact O-N 3.24Å |
| 268 | F | 97.9 | Very high | 94 | Very high | 1 Ų | 1 | 80.4 Ų | 80.4 | 0% | 0.004 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 178.6 | -92 | -92.4 | 0 | 0 | 0 | 112.1 | L235 A238 F239 P245 L253 V264 N270 R271 R272 | L235-F268 HydrophobicContact CD2-CE2 3.87Å; A238-F268 HydrophobicContact CB-CZ 4.11Å; F239-F268 HydrophobicContact CB-CE1 3.99Å; F239-F268 HydrophobicContact CB-CZ 4.38Å; F239-F268 AromaticContact CD2-CD1 3.7Å; F239-F268 HydrophobicContact CD2-CD1 3.7Å; F239-F268 AromaticContact CD2-CE1 3.73Å; F239-F268 HydrophobicContact CD2-CE1 3.73Å; F239-F268 HydrophobicContact CE2-CD1 4.4Å; F239-F268 HydrophobicContact CG-CE1 4.35Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.09Å; P245-F268 HydrophobicContact CG-CE1 3.49Å; P245-F268 VanDerWaalsContact CG-CE1 3.49Å; P245-F268 HydrophobicContact CG-CE2 4.06Å; P245-F268 HydrophobicContact CG-CG 3.87Å; P245-F268 HydrophobicContact CG-CZ 3.78Å; L253-F268 HydrophobicContact CD1-CE2 3.9Å; L253-F268 HydrophobicContact CD1-CZ 4.06Å; V264-F268 HydrophobicContact CG1-CD2 3.71Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 2.76Å; F268-N270 PolarHBondContact O-N 2.91Å; F268-R271 PolarHBondContact O-N 3.42Å; F268-R272 WeakPolarHBondContact O-CB 3.32Å; F268-R272 WeakPolarHBondContact O-CG 3.23Å; F268-R272 PolarHBondContact O-N 3.09Å |
| 269 | S | 96.9 | Very high | 92.8 | Very high | 64 Ų | 64 | 73.1 Ų | 73.1 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 173.9 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | Q265 W267 A273 | Q265-S269 WeakPolarHBondContact O-CB 3.41Å; Q265-S269 PolarHBondContact O-N 2.79Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.45Å; S269-A273 WeakPolarHBondContact O-CB 3.23Å; S269-A273 PolarHBondContact O-N 3.33Å; S269-A273 VanDerWaalsContact O-N 3.1Å |
| 270 | N | 96.3 | Very high | 91.1 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 48% | 0.476 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 175.7 | -79.4 | -73.2 | 0 | 0 | 0 | 113 | V266 W267 F268 A273 R274 | V266-N270 WeakPolarHBondContact O-CB 3.47Å; V266-N270 PolarHBondContact O-N 3.27Å; V266-N270 PolarHBondContact O-ND2 2.85Å; W267-N270 CarbonylContact O-C 3.6Å; W267-N270 WeakPolarHBondContact O-CA 3.08Å; W267-N270 PolarHBondContact O-N 2.73Å; F268-N270 PolarHBondContact O-N 2.91Å; N270-A273 PolarHBondContact O-N 3.17Å; N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 2.93Å; N270-R274 VanDerWaalsContact O-N 3.13Å |
| 271 | R | 96.1 | Very high | 89.3 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.7 | -49 | 177.2 | -175 | 73.7 | -179.4 | -173.3 | -5.2 | 110.6 | E236 F239 W267 F268 A273 R274 W275 | E236-R271 IonicContact OE1-CZ 2.73Å; E236-R271 VanDerWaalsContact OE1-CZ 3.3Å; E236-R271 IonicContact OE1-NE 3.91Å; E236-R271 IonicContact OE1-NH1 2.69Å; E236-R271 PolarHBondContact OE1-NH1 3.08Å; E236-R271 IonicContact OE1-NH2 3.88Å; E236-R271 IonicContact OE2-CZ 3.13Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 2.93Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 2.93Å; F239-R271 HydrophobicContact CD1-CG 3.82Å; F239-R271 HydrophobicContact CD2-CB 4.06Å; F239-R271 HydrophobicContact CD2-CG 3.51Å; F239-R271 HydrophobicContact CE1-CG 3.71Å; F239-R271 HydrophobicContact CE2-CB 3.83Å; F239-R271 HydrophobicContact CE2-CG 3.41Å; F239-R271 VanDerWaalsContact CE2-CG 3.41Å; F239-R271 HydrophobicContact CG-CG 3.73Å; F239-R271 HydrophobicContact CZ-CB 4.28Å; F239-R271 HydrophobicContact CZ-CG 3.53Å; W267-R271 HydrophobicContact CE3-CB 4.17Å; W267-R271 HydrophobicContact CH2-CB 3.94Å; W267-R271 HydrophobicContact CH2-CG 3.66Å; W267-R271 HydrophobicContact CZ2-CB 4.33Å; W267-R271 HydrophobicContact CZ2-CG 4.22Å; W267-R271 HydrophobicContact CZ3-CB 3.86Å; W267-R271 HydrophobicContact CZ3-CG 3.96Å; W267-R271 PolarHBondContact O-N 3.24Å; F268-R271 PolarHBondContact O-N 3.42Å; R271-A273 PolarHBondContact O-N 2.94Å; R271-R274 PolarHBondContact O-N 3.18Å; R271-W275 PolarHBondContact O-N 3.03Å |
| 272 | R | 95.8 | Very high | 87.4 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.6 | -38.2 | 171.1 | -73.7 | -165 | -67.8 | -88.7 | 5.6 | 112.8 | F239 H243 Y244 F268 R274 R276 | F239-R272 HydrophobicContact CE2-CG 3.8Å; F239-R272 HydrophobicContact CZ-CG 4.26Å; H243-R272 HydrophobicContact CB-CG 4.47Å; H243-R272 VanDerWaalsContact O-CD 3.23Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.3Å; H243-R272 PolarHBondContact O-NH1 3.2Å; Y244-R272 VanDerWaalsContact CE1-NE 3.32Å; F268-R272 WeakPolarHBondContact O-CB 3.32Å; F268-R272 WeakPolarHBondContact O-CG 3.23Å; F268-R272 PolarHBondContact O-N 3.09Å; R272-R274 VanDerWaalsContact C-N 3.32Å; R272-R274 PolarHBondContact O-N 3.41Å; R272-R276 PolarHBondContact O-N 3.12Å; R272-R276 VanDerWaalsContact O-N 3.09Å |
| 273 | A | 93.7 | Very high | 85.5 | Confident | 34 Ų | 34 | 80.5 Ų | 80.5 | 28% | 0.281 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.3 | -20.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S269 N270 R271 K277 | S269-A273 WeakPolarHBondContact O-CB 3.23Å; S269-A273 PolarHBondContact O-N 3.33Å; S269-A273 VanDerWaalsContact O-N 3.1Å; N270-A273 PolarHBondContact O-N 3.17Å; R271-A273 PolarHBondContact O-N 2.94Å; A273-K277 WeakPolarHBondContact O-CG 3.35Å |
| 274 | R | 91.9 | Very high | 83.6 | Confident | 173 Ų | 173 | 82 Ų | 82 | 65% | 0.653 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -83.6 | -46.8 | 169 | -66.3 | 177.9 | -166.8 | -135.9 | 9.2 | 111.4 | N270 R271 R272 R276 K277 Q278 | N270-R274 WeakPolarHBondContact O-CG 3.49Å; N270-R274 PolarHBondContact O-N 2.93Å; N270-R274 VanDerWaalsContact O-N 3.13Å; R271-R274 PolarHBondContact O-N 3.18Å; R272-R274 VanDerWaalsContact C-N 3.32Å; R272-R274 PolarHBondContact O-N 3.41Å; R274-R276 VanDerWaalsContact C-N 3.34Å; R274-R276 PolarHBondContact O-N 2.89Å; R274-K277 WeakPolarHBondContact O-CA 3.42Å; R274-K277 WeakPolarHBondContact O-CB 3.22Å; R274-K277 PolarHBondContact O-N 3.42Å; R274-Q278 PolarHBondContact O-N 2.94Å |
| 275 | W | 90.5 | Very high | 81.7 | Confident | 120 Ų | 120 | 84 Ų | 84 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -53.6 | -47.8 | 178.4 | 179.9 | 87.9 | 0 | 0 | 0 | 111.9 | F239 H243 R271 K277 Q278 A279 | F239-W275 HydrophobicContact CE1-CB 4.48Å; F239-W275 HydrophobicContact CE1-CG 4.49Å; F239-W275 HydrophobicContact CZ-CB 4.2Å; F239-W275 HydrophobicContact CZ-CG 4.45Å; H243-W275 AromaticContact CE1-CE2 3.85Å; H243-W275 AromaticContact CE1-CZ2 3.98Å; H243-W275 AromaticContact CE1-NE1 3.93Å; H243-W275 AromaticContact NE2-NE1 4Å; R271-W275 PolarHBondContact O-N 3.03Å; W275-K277 PolarHBondContact O-N 2.73Å; W275-Q278 PolarHBondContact O-N 2.81Å; W275-Q278 VanDerWaalsContact O-N 3.12Å; W275-A279 PolarHBondContact O-N 3.38Å |
| 276 | R | 89.8 | Confident | 79.6 | Confident | 139 Ų | 139 | 82 Ų | 82 | 53% | 0.525 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.8 | -27.5 | 174.5 | -78.5 | -173.7 | -81.9 | 100.2 | -2.6 | 114.2 | R272 R274 G280 | R272-R276 PolarHBondContact O-N 3.12Å; R272-R276 VanDerWaalsContact O-N 3.09Å; R274-R276 VanDerWaalsContact C-N 3.34Å; R274-R276 PolarHBondContact O-N 2.89Å; R276-G280 PolarHBondContact O-N 3.24Å; R276-G280 VanDerWaalsContact O-N 3.17Å |
| 277 | K | 83.3 | Confident | 77.3 | Confident | 163 Ų | 163 | 84.9 Ų | 84.9 | 71% | 0.709 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -78.5 | -36.6 | 174.9 | -71.1 | 179.6 | 176.8 | -171.8 | 0 | 112.2 | A273 R274 W275 A281 | A273-K277 WeakPolarHBondContact O-CG 3.35Å; R274-K277 WeakPolarHBondContact O-CA 3.42Å; R274-K277 WeakPolarHBondContact O-CB 3.22Å; R274-K277 PolarHBondContact O-N 3.42Å; W275-K277 PolarHBondContact O-N 2.73Å; K277-A281 VanDerWaalsContact O-CB 3.31Å; K277-A281 WeakPolarHBondContact O-CB 3.27Å; K277-A281 PolarHBondContact O-N 3.48Å |
| 278 | Q | 76.9 | Confident | 75.2 | Confident | 125 Ų | 125 | 89.2 Ų | 89.2 | 58% | 0.584 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -65.9 | -46.9 | 173.8 | -72.2 | 167.2 | -54 | 0 | 0 | 110.6 | R274 W275 G280 A281 N282 | R274-Q278 PolarHBondContact O-N 2.94Å; W275-Q278 PolarHBondContact O-N 2.81Å; W275-Q278 VanDerWaalsContact O-N 3.12Å; Q278-G280 PolarHBondContact O-N 2.85Å; Q278-A281 PolarHBondContact O-N 3.28Å; Q278-N282 PolarHBondContact O-N 3.5Å |
| 279 | A | 69.9 | Low | 73 | Confident | 37 Ų | 37 | 97.2 Ų | 97.2 | 31% | 0.306 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W275 N282 Q283 | W275-A279 PolarHBondContact O-N 3.38Å; A279-N282 PolarHBondContact O-N 3.41Å; A279-Q283 PolarHBondContact O-N 2.84Å; A279-Q283 VanDerWaalsContact O-N 3.1Å |
| 280 | G | 60.6 | Low | 70.8 | Confident | 34 Ų | 34 | 100.4 Ų | 100.4 | 35% | 0.351 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R276 Q278 L284 | R276-G280 PolarHBondContact O-N 3.24Å; R276-G280 VanDerWaalsContact O-N 3.17Å; Q278-G280 PolarHBondContact O-N 2.85Å; G280-L284 WeakPolarHBondContact O-CG 3.34Å; G280-L284 PolarHBondContact O-N 3.1Å |
| 281 | A | 58.4 | Low | 68.1 | Low | 54 Ų | 54 | 100.9 Ų | 100.9 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -40.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K277 Q278 Q283 L284 A285 | K277-A281 VanDerWaalsContact O-CB 3.31Å; K277-A281 WeakPolarHBondContact O-CB 3.27Å; K277-A281 PolarHBondContact O-N 3.48Å; Q278-A281 PolarHBondContact O-N 3.28Å; A281-Q283 PolarHBondContact O-N 2.81Å; A281-L284 PolarHBondContact O-N 3.32Å; A281-A285 PolarHBondContact O-N 2.98Å |
| 282 | N | 55.9 | Low | 65.5 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 65% | 0.652 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.3 | -36.4 | 175.1 | -94.9 | 39 | 0 | 0 | 0 | 112.6 | Q278 A279 L284 A285 A286 | Q278-N282 PolarHBondContact O-N 3.5Å; A279-N282 PolarHBondContact O-N 3.41Å; N282-L284 VanDerWaalsContact C-N 3.35Å; N282-A285 PolarHBondContact O-N 3.33Å; N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 3.43Å |
| 283 | Q | 57.6 | Low | 63.4 | Low | 145 Ų | 145 | 105.6 Ų | 105.6 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66 | -37 | 174.2 | -74.5 | -176 | 49.6 | 0 | 0 | 112.3 | A279 A281 A286 F287 | A279-Q283 PolarHBondContact O-N 2.84Å; A279-Q283 VanDerWaalsContact O-N 3.1Å; A281-Q283 PolarHBondContact O-N 2.81Å; Q283-A286 PolarHBondContact O-N 3.36Å; Q283-F287 WeakPolarHBondContact O-CB 3.31Å; Q283-F287 PolarHBondContact O-N 3.33Å |
| 284 | L | 54.9 | Low | 60.9 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 65% | 0.654 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.8 | -37 | 173.3 | -69.5 | 167.4 | 0 | 0 | 0 | 112.2 | G280 A281 N282 N288 | G280-L284 WeakPolarHBondContact O-CG 3.34Å; G280-L284 PolarHBondContact O-N 3.1Å; A281-L284 PolarHBondContact O-N 3.32Å; N282-L284 VanDerWaalsContact C-N 3.35Å; L284-N288 PolarHBondContact O-N 3.45Å; L284-N288 PolarHBondContact O-ND2 3.14Å |
| 285 | A | 57.9 | Low | 58.5 | Low | 44 Ų | 44 | 107.9 Ų | 107.9 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.4 | -45.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A281 N282 F287 N288 H289 | A281-A285 PolarHBondContact O-N 2.98Å; N282-A285 PolarHBondContact O-N 3.33Å; A285-F287 VanDerWaalsContact C-N 3.32Å; A285-F287 PolarHBondContact O-N 3.2Å; A285-N288 WeakPolarHBondContact O-CB 3.41Å; A285-N288 PolarHBondContact O-N 3.09Å; A285-H289 PolarHBondContact O-CD2 2.88Å; A285-H289 PolarHBondContact O-N 3.41Å |
| 286 | A | 53.8 | Low | 56.4 | Low | 50 Ų | 50 | 107.7 Ų | 107.7 | 41% | 0.413 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -61.5 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N282 Q283 N288 H289 L290 | N282-A286 WeakPolarHBondContact O-CB 3.47Å; N282-A286 PolarHBondContact O-N 3.43Å; Q283-A286 PolarHBondContact O-N 3.36Å; A286-N288 VanDerWaalsContact C-N 3.32Å; A286-N288 PolarHBondContact O-N 3.32Å; A286-H289 PolarHBondContact O-N 2.97Å; A286-H289 VanDerWaalsContact O-N 3.09Å; A286-L290 WeakPolarHBondContact O-CG 3.34Å; A286-L290 PolarHBondContact O-N 2.89Å |
| 287 | F | 48.1 | Very low | 54.7 | Low | 124 Ų | 124 | 106.4 Ų | 106.4 | 54% | 0.544 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -63.7 | -35.4 | 176.4 | -164.6 | -96.8 | 0 | 0 | 0 | 112.7 | Q283 A285 H289 L290 L291 | Q283-F287 WeakPolarHBondContact O-CB 3.31Å; Q283-F287 PolarHBondContact O-N 3.33Å; A285-F287 VanDerWaalsContact C-N 3.32Å; A285-F287 PolarHBondContact O-N 3.2Å; F287-H289 PolarHBondContact O-N 3.45Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-L290 VanDerWaalsContact O-N 3.14Å; F287-L291 HydrophobicContact CD1-CD1 4.4Å; F287-L291 HydrophobicContact CE1-CD1 4.04Å; F287-L291 HydrophobicContact CE1-CG 4.45Å |
| 288 | N | 52.8 | Low | 53 | Low | 115 Ų | 115 | 105.2 Ų | 105.2 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -24.9 | 173.7 | -67.5 | -29.6 | 0 | 0 | 0 | 113.1 | L284 A285 A286 | L284-N288 PolarHBondContact O-N 3.45Å; L284-N288 PolarHBondContact O-ND2 3.14Å; A285-N288 WeakPolarHBondContact O-CB 3.41Å; A285-N288 PolarHBondContact O-N 3.09Å; A286-N288 VanDerWaalsContact C-N 3.32Å; A286-N288 PolarHBondContact O-N 3.32Å |
| 289 | H | 52.5 | Low | 51.1 | Low | 168 Ų | 168 | 102.8 Ų | 102.8 | 78% | 0.778 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -3.5 | 175.6 | -69.4 | -69.1 | 0 | 0 | 0 | 113.9 | A285 A286 F287 | A285-H289 PolarHBondContact O-CD2 2.88Å; A285-H289 PolarHBondContact O-N 3.41Å; A286-H289 PolarHBondContact O-N 2.97Å; A286-H289 VanDerWaalsContact O-N 3.09Å; F287-H289 PolarHBondContact O-N 3.45Å |
| 290 | L | 49.2 | Very low | 50.1 | Low | 132 Ų | 132 | 109.1 Ų | 109.1 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -106.6 | 5.9 | -178.1 | -71.1 | 167.1 | 0 | 0 | 0 | 113.6 | A286 F287 | A286-L290 WeakPolarHBondContact O-CG 3.34Å; A286-L290 PolarHBondContact O-N 2.89Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-L290 VanDerWaalsContact O-N 3.14Å |
| 291 | L | 40.9 | Very low | 49 | Very low | 98 Ų | 98 | 113 Ų | 113 | 51% | 0.513 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -108.3 | 108.9 | 175.5 | -69.1 | 174.5 | 0 | 0 | 0 | 110.7 | F287 G293 G294 | F287-L291 HydrophobicContact CD1-CD1 4.4Å; F287-L291 HydrophobicContact CE1-CD1 4.04Å; F287-L291 HydrophobicContact CE1-CG 4.45Å; L291-G293 PolarHBondContact O-N 3.27Å; L291-G294 PolarHBondContact O-N 3.2Å |
| 292 | P | 41.3 | Very low | 48.2 | Very low | 141 Ų | 141 | 116.7 Ų | 116.7 | 92% | 0.916 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 99.7 | 172.2 | -16.4 | 30.8 | 0 | 0 | 0 | 110.1 | ||
| 293 | G | 52.1 | Low | 47.2 | Very low | 74 Ų | 74 | 118.9 Ų | 118.9 | 76% | 0.763 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.6 | 1.4 | -180 | 0 | 0 | 0 | 0 | 0 | 116.4 | L291 | L291-G293 PolarHBondContact O-N 3.27Š|
| 294 | G | 39.7 | Very low | 46.2 | Very low | 57 Ų | 57 | 117.3 Ų | 117.3 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 127.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L291 | L291-G294 PolarHBondContact O-N 3.2Š|
| 295 | F | 42.8 | Very low | 45.6 | Very low | 198 Ų | 198 | 117.8 Ų | 117.8 | 87% | 0.868 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 138.6 | -179.6 | -74.3 | -97.8 | 0 | 0 | 0 | 113.2 | ||
| 296 | P | 45.4 | Very low | 44.4 | Very low | 116 Ų | 116 | 125.9 Ų | 125.9 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -74 | 138.7 | 175.7 | 30.6 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 297 | P | 53.8 | Low | 43.5 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -78.5 | 140.7 | 169.4 | 31.9 | -32.7 | 0 | 0 | 0 | 111.4 | ||
| 298 | T | 48.8 | Very low | 42.8 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 57.1 | 107.7 | 169.3 | 51.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 299 | G | 36 | Very low | 42.1 | Very low | 73 Ų | 73 | 133.8 Ų | 133.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -172.4 | 81.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P301 | G299-P301 WeakPolarHBondContact O-CD 3.47Š| ||
| 300 | M | 49.3 | Very low | 41.1 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 84% | 0.837 | 78% | 0.78 | S | S | * | * | trans | -73.7 | 120.7 | 177.1 | 36.6 | -79 | -170.4 | 0 | 0 | 110.4 | T302 | M300-T302 PolarHBondContact O-N 3.01Š| ||
| 301 | P | 38.1 | Very low | 40.2 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | trans | -83.8 | 108.4 | -175.5 | 31.9 | -33 | 0 | 0 | 0 | 111.7 | G299 | G299-P301 WeakPolarHBondContact O-CD 3.47Š| ||
| 302 | T | 41.8 | Very low | 40 | Very low | 133 Ų | 133 | 135 Ų | 135 | 82% | 0.816 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 122.4 | 152.3 | 49.2 | 0 | 0 | 0 | 0 | 108.2 | M300 P304 | M300-T302 PolarHBondContact O-N 3.01Å; T302-P304 WeakPolarHBondContact O-CD 3.48Å |
| 303 | L | 35.5 | Very low | 39.6 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 127.1 | -179.7 | -63.8 | 175.1 | 0 | 0 | 0 | 111.7 | ||
| 304 | P | 36.2 | Very low | 39.2 | Very low | 112 Ų | 112 | 141.2 Ų | 141.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 134.5 | 156.1 | 34.3 | -27.3 | 0 | 0 | 0 | 110.2 | T302 | T302-P304 WeakPolarHBondContact O-CD 3.48Š|
| 305 | T | 41.2 | Very low | 38.7 | Very low | 135 Ų | 135 | 143.7 Ų | 143.7 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.8 | 172.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | ||
| 306 | Y | 33.7 | Very low | 38.1 | Very low | 215 Ų | 215 | 140.4 Ų | 140.4 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -138.5 | 151.1 | 157.7 | -120.7 | -87.9 | 0 | 0 | 0 | 111.2 | ||||
| 307 | Q | 33.9 | Very low | 37.4 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 145.2 | -166.3 | -65.3 | 162.4 | -59.5 | 0 | 0 | 113.1 | ||
| 308 | L | 34.1 | Very low | 36.4 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 142.6 | 153.5 | -104.9 | 82.9 | 0 | 0 | 0 | 109.5 | ||
| 309 | P | 37.1 | Very low | 35.5 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74 | 148.9 | 156.1 | -11.1 | 28.5 | 0 | 0 | 0 | 110.9 | ||
| 310 | E | 32.4 | Very low | 35.3 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -83 | 145.4 | 178.5 | -59.6 | -179.7 | 105.2 | 0 | 0 | 113.2 | ||
| 311 | T | 30.8 | Very low | 34.2 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -138.6 | 135 | 138.5 | 46.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 312 | S | 36.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 80% | 0.796 | S | S | * | * | trans | -92.6 | 146.5 | -167.3 | -30.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 313 | Y | 32.2 | Very low | 33.2 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 93% | 0.933 | 79% | 0.793 | S | S | * | * | trans | -157 | 153.9 | 136.2 | -84.7 | -59 | 0 | 0 | 0 | 110.3 | ||||
| 314 | P | 44.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | trans | -108 | 150.5 | -152.8 | 39.5 | -37 | 0 | 0 | 0 | 118.6 | ||||
| 315 | S | 29.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | trans | 51.6 | 119 | 136.2 | -56.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 316 | T | 30.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | -170.3 | 106.3 | 123.2 | 15.6 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 317 | T | 29.4 | Very low | 32.3 | Very low | 121 Ų | 121 | 137.9 Ų | 137.9 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | 77.4 | 141.6 | 90 | 57.4 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 318 | L | 33.9 | Very low | 32.1 | Very low | 160 Ų | 160 | 140.2 Ų | 140.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | trans | 71.8 | 131.2 | 178 | -105.6 | 49.3 | 0 | 0 | 0 | 114.9 | ||||
| 319 | S | 29.4 | Very low | 33.1 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | cis | 73.2 | 139.5 | 37.1 | -59 | 0 | 0 | 0 | 0 | 113 | ||||
| 320 | Q | 32 | Very low | 33 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | cis | -174.5 | 158.8 | 0.6 | 152.3 | -177.3 | 8.2 | 0 | 0 | 109.9 | ||||
| 321 | E | 26.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 61.6 | 173.4 | 164.6 | -83.1 | -64.3 | 136.6 | 0 | 0 | 118.9 | ||||
| 322 | G | 29 | Very low | 34.1 | Very low | 70 Ų | 70 | 135.7 Ų | 135.7 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | trans | 133 | 91 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 323 | S | 29.3 | Very low | 34.9 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -43.3 | 133.9 | 166.8 | -55 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 324 | S | 30.8 | Very low | 36 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | 71.1 | 150.2 | 126.4 | 71.9 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 325 | T | 34.4 | Very low | 35.8 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | 105.2 | 130.2 | 149.2 | 71.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 326 | L | 32.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 132.2 Ų | 132.2 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 80.8 | 142.7 | 133.9 | -75.4 | 166.2 | 0 | 0 | 0 | 125.7 | ||||
| 327 | H | 30 | Very low | 36.7 | Very low | 165 Ų | 165 | 133.4 Ų | 133.4 | 76% | 0.764 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 165.4 | 161.2 | -84 | -118.8 | 0 | 0 | 0 | 120.7 | ||||
| 328 | R | 31.1 | Very low | 36.9 | Very low | 221 Ų | 221 | 135.8 Ų | 135.8 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | cis | -170.6 | 154.8 | -43.7 | -175.4 | 166.7 | 168.9 | 140.4 | 2.7 | 107.1 | ||||
| 329 | P | 54.1 | Low | 36.9 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | trans | -116.8 | -167.3 | -149.9 | 45.8 | -40.1 | 0 | 0 | 0 | 118.3 | ||||
| 330 | Q | 35.3 | Very low | 36.9 | Very low | 150 Ų | 150 | 135.4 Ų | 135.4 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | 78.7 | 159.2 | 168.3 | -81.2 | -77.9 | -57.9 | 0 | 0 | 115.5 | ||||
| 331 | P | 48.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | cis | -137.7 | 178.3 | 30.8 | 44 | -25.4 | 0 | 0 | 0 | 119.9 | ||||
| 332 | L | 38.5 | Very low | 37.2 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 73% | 0.728 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 165.8 | 161 | -58.8 | 165.4 | 0 | 0 | 0 | 110.8 | ||||
| 333 | P | 52.4 | Low | 37.3 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | -156.5 | -156.5 | 79.5 | 46 | -24.9 | 0 | 0 | 0 | 112.7 | |||||
| 334 | P | 54.7 | Low | 37.4 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | cis | -124.6 | 178.4 | -16.6 | 40.4 | -25 | 0 | 0 | 0 | 114.9 | ||||
| 335 | S | 40.4 | Very low | 37.3 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -105.8 | 173 | 177.1 | -46.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 336 | S | 39.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -138.8 | 164.6 | 154.1 | -165 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 337 | M | 38.3 | Very low | 37 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | -127.8 | 163.6 | -163.9 | -63.7 | -96.3 | 76.8 | 0 | 0 | 112.7 | ||||
| 338 | H | 33.9 | Very low | 37.4 | Very low | 171 Ų | 171 | 128 Ų | 128 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | trans | 153 | 158.5 | 135.8 | -83.5 | -74.7 | 0 | 0 | 0 | 111.3 | ||||
| 339 | Q | 34 | Very low | 37.5 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | cis | -169.4 | 130.1 | -47.7 | -176 | 169.8 | 32.5 | 0 | 0 | 110.2 | ||||
| 340 | G | 30.3 | Very low | 36.5 | Very low | 81 Ų | 81 | 126.1 Ų | 126.1 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | 73.9 | 161.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 341 | G | 29 | Very low | 36.2 | Very low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | cis | 164 | 155.8 | -11.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 342 | L | 34.5 | Very low | 35.6 | Very low | 166 Ų | 166 | 125.1 Ų | 125.1 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | 71.8 | 120.7 | 167.7 | -48.2 | -179.4 | 0 | 0 | 0 | 116 | ||||
| 343 | S | 31 | Very low | 35.1 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | 85.3 | 149 | 90.3 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 344 | A | 31.8 | Very low | 34.2 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | cis | -168.7 | 171.2 | -20.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 345 | D | 28.9 | Very low | 33 | Very low | 153 Ų | 153 | 124.3 Ų | 124.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 86 | 145.1 | 149.6 | -137.4 | -21.3 | 0 | 0 | 0 | 122.9 | ||||
| 346 | S | 29.5 | Very low | 32.6 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 68.1 | 106 | 146.8 | -83.2 | 0 | 0 | 0 | 0 | 126.5 | ||||
| 347 | S | 31.8 | Very low | 32.2 | Very low | 102 Ų | 102 | 129.1 Ų | 129.1 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | 68.8 | 116.8 | 106.8 | -53.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 348 | S | 38.4 | Very low | 31.7 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | 63.1 | 151.6 | 136 | -61 | 0 | 0 | 0 | 0 | 121 | ||||
| 349 | A | 31.7 | Very low | 31.5 | Very low | 61 Ų | 61 | 128.4 Ų | 128.4 | 50% | 0.504 | 77% | 0.77 | S | S | . | * | cis | -170.3 | -170.3 | -18.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 350 | Y | 33.8 | Very low | 31.2 | Very low | 227 Ų | 227 | 124.8 Ų | 124.8 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | 66.7 | 153.8 | 171.9 | -16.3 | -72.4 | 0 | 0 | 0 | 115.6 | ||||
| 351 | G | 29.9 | Very low | 31.1 | Very low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | cis | -161.4 | -171.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 352 | L | 34.7 | Very low | 31.2 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 90% | 0.901 | 76% | 0.762 | S | S | * | * | trans | -108 | 142.7 | -170.1 | -75.9 | 159.1 | 0 | 0 | 0 | 114.7 | ||||
| 353 | S | 28.3 | Very low | 31.1 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | 161.3 | 137.7 | 145.7 | -76.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 354 | S | 33 | Very low | 30.9 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | cis | 105.6 | 136.7 | 26 | -74.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 355 | N | 29.9 | Very low | 30.9 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 69.4 | 147.2 | 174.1 | -92.6 | -8.1 | 0 | 0 | 0 | 116.9 | ||||
| 356 | R | 31.7 | Very low | 31.1 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | cis | -170.7 | 163.7 | -12.1 | -143.7 | 173.7 | -149.1 | -136.7 | 1.5 | 111.2 | ||||
| 357 | H | 31.9 | Very low | 31.4 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 70% | 0.704 | 75% | 0.751 | S | S | * | * | trans | 44.7 | 166.5 | 152.9 | 49.7 | -150.7 | 0 | 0 | 0 | 123.3 | ||||
| 358 | S | 27.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | cis | -171.1 | 147.7 | -37.5 | -85.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 359 | F | 30.1 | Very low | 32 | Very low | 198 Ų | 198 | 135.3 Ų | 135.3 | 87% | 0.868 | 75% | 0.748 | S | S | * | * | trans | 36.7 | 126.3 | 138.9 | -151 | -96.3 | 0 | 0 | 0 | 122.2 | ||||
| 360 | S | 27.1 | Very low | 31.9 | Very low | 95 Ų | 95 | 137.9 Ų | 137.9 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | 173.5 | 155 | 109.7 | -163.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 361 | S | 29.5 | Very low | 31.9 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | trans | -93.4 | 173 | 161.8 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 362 | Y | 30.6 | Very low | 32 | Very low | 210 Ų | 210 | 133.3 Ų | 133.3 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | trans | 166.7 | 118.2 | 130.5 | -104.3 | -93.2 | 0 | 0 | 0 | 109.1 | ||||
| 363 | S | 31.3 | Very low | 32 | Very low | 97 Ų | 97 | 129.2 Ų | 129.2 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | 83.2 | 162.1 | 109.9 | 75 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 364 | D | 28.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | cis | -158.4 | 172.7 | 5.9 | -147.5 | -67 | 0 | 0 | 0 | 112.4 | ||||
| 365 | T | 31.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | trans | 38.3 | 160.2 | 151.3 | 33.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 366 | F | 32.9 | Very low | 32.4 | Very low | 179 Ų | 179 | 134 Ų | 134 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | cis | -169.7 | 170.3 | -40.6 | -133.1 | -83.7 | 0 | 0 | 0 | 110.7 | ||||
| 367 | M | 34.6 | Very low | 32.5 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 80.5 | 161.6 | 159.6 | -85.1 | -64.2 | 103.9 | 0 | 0 | 122.1 | ||||
| 368 | S | 31.1 | Very low | 33.6 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | -125 | -149.9 | -164.3 | -40.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 369 | P | 53.3 | Low | 33.8 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -143.1 | -168.6 | 13 | 45.6 | -25 | 0 | 0 | 0 | 117.8 | ||||
| 370 | S | 29.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 125.2 Ų | 125.2 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | trans | 73.3 | 147.8 | 158.2 | 70.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 371 | A | 32.1 | Very low | 34.2 | Very low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | cis | -165.6 | 163.7 | -18.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 372 | S | 32.2 | Very low | 34.2 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | trans | 39.3 | 150.6 | 143 | -59.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 373 | S | 35.1 | Very low | 34.3 | Very low | 87 Ų | 87 | 126.4 Ų | 126.4 | 61% | 0.608 | 76% | 0.764 | S | S | * | * | cis | -179.1 | 137.1 | -1.6 | 140.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 374 | N | 36.3 | Very low | 34.3 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | trans | 61.7 | 161 | 155 | -73 | -53.3 | 0 | 0 | 0 | 119 | ||||
| 375 | H | 34.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 126.3 Ų | 126.3 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -166.2 | 166.7 | -15.6 | 167.6 | -85.4 | 0 | 0 | 0 | 108.4 | ||||
| 376 | M | 30.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 129 Ų | 129 | 83% | 0.828 | 78% | 0.775 | S | S | * | * | trans | 136.6 | 148.2 | 155.6 | -70.1 | -60.3 | 167.4 | 0 | 0 | 114.4 | ||||
| 377 | N | 33.2 | Very low | 35 | Very low | 150 Ų | 150 | 127 Ų | 127 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | -145 | 179.6 | -172.1 | -152.3 | 29.4 | 0 | 0 | 0 | 107.1 | ||||
| 378 | P | 54.8 | Low | 34.9 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | cis | -111.1 | -149.1 | -9 | 19.6 | 7.6 | 0 | 0 | 0 | 111 | ||||
| 379 | V | 32.4 | Very low | 34.8 | Very low | 137 Ų | 137 | 128.9 Ų | 128.9 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | cis | -156.1 | 164.7 | 14.5 | -141.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 380 | G | 30.6 | Very low | 33.8 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 169.8 | 123.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 381 | N | 33 | Very low | 34 | Very low | 173 Ų | 173 | 134.2 Ų | 134.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | trans | -71.6 | 149.5 | -172.3 | -67.5 | -10.9 | 0 | 0 | 0 | 115 | ||||
| 382 | G | 30.7 | Very low | 34 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 174 | 94.9 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 383 | L | 32.8 | Very low | 34.1 | Very low | 181 Ų | 181 | 137.9 Ų | 137.9 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | trans | -82.8 | 161 | 170.9 | -54.3 | 171.3 | 0 | 0 | 0 | 109.5 | ||||
| 384 | S | 30.5 | Very low | 34.9 | Very low | 90 Ų | 90 | 138.6 Ų | 138.6 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | cis | -158.8 | 154.8 | 10.7 | -179.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 385 | P | 40.1 | Very low | 34.6 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -133.9 | 127.6 | 140.9 | 35.1 | -22.9 | 0 | 0 | 0 | 113.3 | ||||
| 386 | Q | 33.4 | Very low | 34.3 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 82% | 0.819 | S | S | * | * | trans | -110.9 | 111.4 | 171 | -71.9 | -175.6 | -6.1 | 0 | 0 | 111.1 | ||||
| 387 | V | 34.9 | Very low | 34.5 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | trans | -173 | 86.6 | 143.7 | -96.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 388 | M | 31.8 | Very low | 35.3 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 93% | 0.926 | 82% | 0.817 | S | S | * | * | trans | -164.9 | 153.8 | 161.9 | -115.4 | 158.4 | -119 | 0 | 0 | 112.5 | ||||
| 389 | S | 29.7 | Very low | 33.9 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 63.5 | 91.8 | 165.7 | -58.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 390 | I | 32.2 | Very low | 33.9 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -131.9 | 97.2 | 136 | -53.4 | 179.9 | 0 | 0 | 0 | 108.7 | ||||
| 391 | L | 33 | Very low | 34.7 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | trans | -158.2 | 88.8 | 162.4 | -166.4 | 81.8 | 0 | 0 | 0 | 110.2 | ||||
| 392 | S | 31.8 | Very low | 34.6 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -163.9 | 141.7 | 161 | -83.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 393 | N | 35.5 | Very low | 34.7 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | trans | -77.5 | -177.1 | -178.7 | -105.6 | 4.6 | 0 | 0 | 0 | 113.1 | ||||
| 394 | P | 52.6 | Low | 34.4 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 66% | 0.662 | 78% | 0.78 | S | S | * | * | cis | -139.7 | -179 | -22.2 | 34.9 | -14.7 | 0 | 0 | 0 | 115.6 | ||||
| 395 | S | 28 | Very low | 34.6 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | 48.7 | 115.6 | 145.6 | -61.6 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 396 | A | 28.8 | Very low | 34 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -168 | 150.6 | 133.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 397 | V | 34 | Very low | 33.9 | Very low | 140 Ų | 140 | 135 Ų | 135 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -153 | 144.7 | 175 | 173.8 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 398 | P | 50 | Low | 33.5 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -124.5 | -161.2 | 33.2 | 25.6 | 2 | 0 | 0 | 0 | 112.7 | ||||
| 399 | S | 26.9 | Very low | 34.7 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | cis | -158.9 | 165.5 | 29.7 | -56.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 400 | Q | 31 | Very low | 34.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | trans | -84.9 | -176.9 | 166.3 | -134.1 | -152.8 | 22.8 | 0 | 0 | 110.9 | ||||
| 401 | P | 48.1 | Very low | 34.9 | Very low | 95 Ų | 95 | 131.6 Ų | 131.6 | 62% | 0.617 | 76% | 0.757 | S | S | * | * | -155.1 | -171.8 | 50.3 | 39.7 | -14.3 | 0 | 0 | 0 | 119.3 | |||||
| 402 | Q | 31 | Very low | 34.7 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | 75.4 | 122.5 | 161.2 | -59.2 | -51.2 | -79.8 | 0 | 0 | 117.1 | ||||
| 403 | H | 31.9 | Very low | 34.6 | Very low | 140 Ų | 140 | 126.9 Ų | 126.9 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | 113.3 | 149.6 | 51.9 | -103.9 | -116.4 | 0 | 0 | 0 | 108.7 | |||||
| 404 | D | 27.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | cis | -157.6 | 158.8 | 38.2 | -98.6 | -37.9 | 0 | 0 | 0 | 114.9 | ||||
| 405 | F | 34.8 | Very low | 33.3 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 40 | 156.2 | 144.2 | -65.7 | -59.7 | 0 | 0 | 0 | 124.4 | ||||
| 406 | S | 28 | Very low | 33.5 | Very low | 86 Ų | 86 | 126.8 Ų | 126.8 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | cis | -163.9 | 150.5 | 6.5 | -126.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 407 | I | 30.4 | Very low | 34.1 | Very low | 160 Ų | 160 | 126.3 Ų | 126.3 | 82% | 0.821 | 71% | 0.713 | S | S | * | * | trans | 72.1 | 147.1 | 138.8 | -69.9 | 166.5 | 0 | 0 | 0 | 123.2 | ||||
| 408 | S | 27.5 | Very low | 34.2 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | -117.8 | -149.3 | -174 | -41.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 409 | P | 56.9 | Low | 34.9 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 71% | 0.708 | 71% | 0.71 | S | S | * | * | cis | -141.5 | -166.1 | -12.3 | 29.4 | -2.7 | 0 | 0 | 0 | 116.7 | ||||
| 410 | L | 33.9 | Very low | 35.4 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | 86.1 | 149.6 | 161.4 | -46.8 | -178.6 | 0 | 0 | 0 | 117.6 | ||||
| 411 | H | 31.6 | Very low | 35.3 | Very low | 167 Ų | 167 | 125 Ų | 125 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | cis | -153.1 | 167.2 | 7.7 | -173.1 | -111 | 0 | 0 | 0 | 113.3 | ||||
| 412 | S | 28.4 | Very low | 34.5 | Very low | 98 Ų | 98 | 124.9 Ų | 124.9 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | 68.1 | 145.3 | 166.3 | -90.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 413 | S | 29 | Very low | 34.6 | Very low | 95 Ų | 95 | 123.9 Ų | 123.9 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | -166.9 | 137.4 | -23.2 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 414 | L | 35.5 | Very low | 34.3 | Very low | 135 Ų | 135 | 123 Ų | 123 | 71% | 0.707 | 73% | 0.728 | S | S | * | * | trans | 21.6 | 149.6 | 147.4 | -56.8 | 169.9 | 0 | 0 | 0 | 121.5 | ||||
| 415 | E | 27.1 | Very low | 34.5 | Very low | 160 Ų | 160 | 121.8 Ų | 121.8 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | cis | -152.4 | 122.1 | 49.7 | -158.1 | 61.6 | -123.4 | 0 | 0 | 109.1 | ||||
| 416 | S | 32.1 | Very low | 34.3 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 58% | 0.58 | 73% | 0.729 | S | S | * | * | 86.5 | 150.7 | 69.7 | -52.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 417 | S | 40.4 | Very low | 34.3 | Very low | 94 Ų | 94 | 127 Ų | 127 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | -164.3 | 175 | -166.9 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 418 | N | 36.9 | Very low | 34.2 | Very low | 145 Ų | 145 | 123.5 Ų | 123.5 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 71.4 | -178.2 | 166.4 | -49.6 | -41.2 | 0 | 0 | 0 | 115.8 | ||||
| 419 | P | 64.6 | Low | 34.2 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | cis | -109.7 | -151.7 | -14.8 | 24.6 | -0.2 | 0 | 0 | 0 | 110.9 | ||||
| 420 | I | 36.2 | Very low | 33 | Very low | 153 Ų | 153 | 125.7 Ų | 125.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | cis | -149.6 | -177.9 | 7.9 | -4.3 | 179.8 | 0 | 0 | 0 | 106.5 | ||||
| 421 | S | 29 | Very low | 33 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -155.5 | 169.3 | 9.1 | -104.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 422 | A | 32 | Very low | 33 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 75% | 0.752 | 73% | 0.725 | S | S | * | * | cis | 77.4 | 132.9 | 33.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 423 | S | 32.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | cis | -167.7 | 179.5 | -10.2 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 424 | C | 26.5 | Very low | 33 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | 79.1 | 165.6 | 159.7 | -155.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 425 | S | 31 | Very low | 32.7 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 73% | 0.731 | S | S | * | * | -170.8 | 155.6 | -69.6 | -157.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 426 | Q | 31.8 | Very low | 32.8 | Very low | 164 Ų | 164 | 124.3 Ų | 124.3 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | 65.6 | 159.7 | 161.2 | -71.6 | -165.9 | 102 | 0 | 0 | 119.8 | ||||
| 427 | R | 27.2 | Very low | 32.8 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | cis | -175.3 | 155.3 | -28.1 | -163.6 | 180 | 176.9 | -136.6 | 0.4 | 110.2 | ||||
| 428 | S | 29.5 | Very low | 32.2 | Very low | 87 Ų | 87 | 127.7 Ų | 127.7 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | trans | 70.9 | 166.2 | 162.5 | -55.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 429 | D | 27 | Very low | 31.8 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | cis | -147.4 | 166.8 | 9.4 | -131 | -44.8 | 0 | 0 | 0 | 117.2 | ||||
| 430 | T | 30.2 | Very low | 30.3 | Very low | 118 Ų | 118 | 124.7 Ų | 124.7 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -61.6 | -176.1 | -174.8 | -45.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 431 | I | 35 | Very low | 30 | Very low | 139 Ų | 139 | 125.9 Ų | 125.9 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 105.9 | 137.7 | 163.1 | -65.2 | 173.9 | 0 | 0 | 0 | 114 | ||||
| 432 | K | 30.7 | Very low | 30 | Very low | 185 Ų | 185 | 125 Ų | 125 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -169.1 | -175.7 | -15.2 | -98.9 | -177 | -168.4 | 174.8 | 0 | 106.4 | ||||
| 433 | S | 27 | Very low | 29.9 | Very low | 97 Ų | 97 | 131.2 Ų | 131.2 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | cis | 177.5 | 176.7 | -41.8 | -165.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 434 | V | 32.2 | Very low | 30 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 78% | 0.782 | 73% | 0.732 | S | S | * | * | trans | 70.2 | 137.8 | 176.4 | -33.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 435 | D | 28.5 | Very low | 31.1 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 73% | 0.73 | S | S | * | * | cis | -156 | -173.6 | -0.1 | -145.2 | -125.3 | 0 | 0 | 0 | 108.8 | ||||
| 436 | S | 29.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 132 Ų | 132 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | cis | -151.1 | 178.2 | 13.7 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 437 | L | 31.5 | Very low | 31.8 | Very low | 165 Ų | 165 | 130.2 Ų | 130.2 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -83.8 | 175.6 | 168.6 | -98.2 | 65.8 | 0 | 0 | 0 | 112.8 | ||||
| 438 | A | 29.1 | Very low | 32.1 | Very low | 84 Ų | 84 | 131.3 Ų | 131.3 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | cis | -171.3 | 174.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 439 | S | 28.2 | Very low | 32.2 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | trans | 100.1 | 122.6 | 135.5 | -142.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 440 | S | 33.1 | Very low | 32.4 | Very low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 75% | 0.751 | S | S | * | * | trans | 75 | 125 | 132.9 | -66.9 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 441 | Q | 28.2 | Very low | 32.7 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | 70.5 | 152 | 138.8 | -71.5 | -155.9 | 94.1 | 0 | 0 | 118.9 | ||||
| 442 | S | 30.1 | Very low | 32.5 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 55% | 0.552 | 76% | 0.757 | S | S | * | * | cis | -167.9 | -179.4 | -9.8 | 45 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 443 | Y | 29.5 | Very low | 32.6 | Very low | 220 Ų | 220 | 131.6 Ų | 131.6 | 86% | 0.863 | 76% | 0.763 | S | S | * | * | trans | 77.8 | 126.3 | 164.8 | -75.1 | -79.2 | 0 | 0 | 0 | 121.9 | ||||
| 444 | C | 34.3 | Very low | 33.1 | Very low | 106 Ų | 106 | 131.9 Ų | 131.9 | 72% | 0.716 | 77% | 0.765 | S | S | * | * | trans | -91.9 | 171 | 149.7 | -47.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 445 | P | 50.6 | Low | 33.2 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | -151.2 | 155.9 | 84.4 | 39 | -22.1 | 0 | 0 | 0 | 116.7 | |||||
| 446 | P | 42 | Very low | 33.4 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -102.2 | 135.2 | 145.4 | 19.6 | -2.6 | 0 | 0 | 0 | 110.6 | ||||
| 447 | T | 34.9 | Very low | 34.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -99 | 130.1 | -177 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 448 | Y | 32.9 | Very low | 34.5 | Very low | 226 Ų | 226 | 131.3 Ų | 131.3 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | 43.7 | 142.4 | 142.6 | -101.3 | -126.2 | 0 | 0 | 0 | 120.2 | ||||
| 449 | S | 32.5 | Very low | 34.6 | Very low | 104 Ų | 104 | 133.6 Ų | 133.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -143.6 | 164.5 | 18.6 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 450 | A | 30.9 | Very low | 34.8 | Very low | 94 Ų | 94 | 133.7 Ų | 133.7 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -122.9 | 149.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 451 | T | 35.4 | Very low | 34.5 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -146.3 | 111.9 | 146 | 42 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 452 | S | 31.8 | Very low | 34.4 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -83.8 | 158.9 | 162 | 50 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 453 | Y | 33 | Very low | 34.5 | Very low | 236 Ų | 236 | 140.7 Ų | 140.7 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | -163.6 | 160.8 | 120.1 | -106 | -71 | 0 | 0 | 0 | 109.8 | |||||
| 454 | S | 36.6 | Very low | 34.3 | Very low | 103 Ų | 103 | 138.8 Ų | 138.8 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -127.8 | 140.5 | -176.8 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 455 | V | 34 | Very low | 34 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -167.5 | 131.9 | 143.1 | -96.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 456 | D | 34.2 | Very low | 33.1 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -93.9 | 171.9 | 146.1 | -121.4 | -32.8 | 0 | 0 | 0 | 106.6 | ||||
| 457 | P | 51.4 | Low | 32.6 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | cis | -145.1 | -161.2 | 15 | 28.2 | 0.5 | 0 | 0 | 0 | 116.1 | ||||
| 458 | V | 31.2 | Very low | 32.5 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | trans | 94.1 | 94.8 | 153 | -173 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 459 | T | 30.9 | Very low | 32.4 | Very low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | 47.9 | 105 | 118.7 | -41.3 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 460 | A | 32.5 | Very low | 32.5 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 88% | 0.876 | 79% | 0.785 | S | S | * | * | 173.3 | 149.2 | 128.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 461 | G | 26.5 | Very low | 32.8 | Very low | 65 Ų | 65 | 140.4 Ų | 140.4 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 179.1 | 154.7 | -8.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 462 | Y | 27.8 | Very low | 32.8 | Very low | 229 Ų | 229 | 139.8 Ų | 139.8 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | 30.5 | 118.7 | 162.3 | -73.6 | -92.9 | 0 | 0 | 0 | 122 | ||||
| 463 | Q | 30.6 | Very low | 32.9 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 95% | 0.953 | 79% | 0.788 | S | S | * | * | -152.4 | 178.4 | 106.3 | -119.4 | -174.2 | -0.1 | 0 | 0 | 112.5 | |||||
| 464 | Y | 26.8 | Very low | 32.8 | Very low | 179 Ų | 179 | 142 Ų | 142 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -135 | 179.1 | -153.1 | -173.7 | -96.9 | 0 | 0 | 0 | 113.4 | Q466 | Y464-Q466 PolarHBondContact OH-OE1 3.47Š| ||
| 465 | S | 27.9 | Very low | 32.7 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | trans | 83 | 110 | -177.2 | -55.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 466 | Q | 30.3 | Very low | 32.6 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 64% | 0.64 | 80% | 0.795 | S | S | * | * | cis | 68.5 | 98 | 33.7 | -159.8 | -164.4 | 26.8 | 0 | 0 | 114.1 | Y464 | Y464-Q466 PolarHBondContact OH-OE1 3.47Š| ||
| 467 | Y | 31.9 | Very low | 32.7 | Very low | 229 Ų | 229 | 144.8 Ų | 144.8 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -162.3 | 155 | 130.5 | -108.1 | -73.8 | 0 | 0 | 0 | 108.2 | ||||
| 468 | G | 32.7 | Very low | 31.6 | Very low | 61 Ų | 61 | 147.3 Ų | 147.3 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | -158 | 137.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 469 | Q | 31.2 | Very low | 31.6 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | trans | -168.9 | 161.5 | 165.2 | -121.9 | 168.7 | 88.2 | 0 | 0 | 113 | ||||
| 470 | T | 34.2 | Very low | 31.6 | Very low | 129 Ų | 129 | 147 Ų | 147 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | 61.8 | 134.8 | 162.1 | 51.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 471 | A | 38.9 | Very low | 31.5 | Very low | 99 Ų | 99 | 150.1 Ų | 150.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -107.6 | 141 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 472 | V | 33.7 | Very low | 31.6 | Very low | 134 Ų | 134 | 152 Ų | 152 | 81% | 0.812 | 81% | 0.809 | S | S | * | * | trans | -148.8 | 159 | 161.9 | -92.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 473 | D | 34 | Very low | 31.8 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | -27.2 | 123.9 | -171.4 | -65.6 | -88.2 | 0 | 0 | 0 | 120.4 | ||||
| 474 | Y | 31.6 | Very low | 31.9 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 91% | 0.91 | 80% | 0.796 | S | S | * | * | trans | -149.9 | 81.1 | 153.5 | -95 | -73.8 | 0 | 0 | 0 | 113 | ||||
| 475 | L | 33.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 147.6 Ų | 147.6 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -159.3 | 46 | 140.8 | -152.7 | 62.2 | 0 | 0 | 0 | 114.8 | K477 | L475-K477 PolarHBondContact O-N 3.46Š| ||
| 476 | A | 32.7 | Very low | 32.3 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | -88.1 | 90.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 477 | K | 35.4 | Very low | 32.6 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 79% | 0.787 | 83% | 0.826 | S | S | * | * | trans | -131.3 | 109.8 | 169.6 | -82.1 | -168.5 | 175.1 | -177.7 | 0 | 111.8 | L475 | L475-K477 PolarHBondContact O-N 3.46Š| ||
| 478 | N | 29.3 | Very low | 32.7 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | 140 | 90.9 | 148 | -71 | -5.2 | 0 | 0 | 0 | 110.6 | ||||
| 479 | V | 32 | Very low | 32.8 | Very low | 135 Ų | 135 | 160 Ų | 160 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | trans | -125.5 | 131.8 | 175.4 | 169.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 480 | S | 29.8 | Very low | 32.8 | Very low | 108 Ų | 108 | 154.6 Ų | 154.6 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | 48.7 | 103.6 | 159.9 | -58.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 481 | L | 31 | Very low | 32.8 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | trans | -158.9 | 131.4 | 135 | -81.8 | 177.6 | 0 | 0 | 0 | 105.9 | ||||
| 482 | S | 28.2 | Very low | 32.7 | Very low | 105 Ų | 105 | 159.4 Ų | 159.4 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | cis | -153 | 150.7 | -7.2 | -74.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 483 | T | 32.1 | Very low | 32.7 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | trans | -119.7 | 108.8 | 169.6 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 484 | Q | 32.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 155.9 Ų | 155.9 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | trans | -172.6 | 138.2 | 140.8 | -107.9 | -174 | 46.5 | 0 | 0 | 113.4 | ||||
| 485 | R | 32.3 | Very low | 33 | Very low | 224 Ų | 224 | 151.3 Ų | 151.3 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | trans | 44.4 | 118.1 | 146.4 | -63.1 | 172.6 | 173.8 | -177.7 | -3.7 | 119.4 | ||||
| 486 | R | 31.2 | Very low | 33.2 | Very low | 248 Ų | 248 | 151.5 Ų | 151.5 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | -164.3 | 138.6 | 93.3 | -163.2 | 168.7 | -177.9 | 167.7 | 1.1 | 111.1 | |||||
| 487 | M | 36.6 | Very low | 33.4 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -74.9 | 145.4 | 169.1 | -69.7 | 169.5 | 166.2 | 0 | 0 | 110.8 | ||||
| 488 | K | 33.7 | Very low | 33.5 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 83% | 0.825 | S | S | * | * | trans | -152.1 | 131.9 | 156.1 | -158.9 | 172.1 | 179.8 | -178.4 | 0 | 109.8 | ||||
| 489 | L | 34.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 150.6 Ų | 150.6 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | -68.8 | 155 | 169.3 | -83.8 | 68.9 | 0 | 0 | 0 | 110 | ||||
| 490 | G | 32.4 | Very low | 34.1 | Very low | 62 Ų | 62 | 153.1 Ų | 153.1 | 64% | 0.639 | 83% | 0.83 | S | S | * | * | trans | -161.6 | 102.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 491 | D | 33.6 | Very low | 34.4 | Very low | 142 Ų | 142 | 155 Ų | 155 | 76% | 0.759 | 84% | 0.837 | S | S | * | * | trans | -74.2 | 130.8 | -168.6 | -51.9 | -85.6 | 0 | 0 | 0 | 112.2 | ||||
| 492 | H | 37.1 | Very low | 34.7 | Very low | 188 Ų | 188 | 154.8 Ų | 154.8 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -126.6 | 103.7 | 166.2 | -76.6 | -63.6 | 0 | 0 | 0 | 109.2 | ||||
| 493 | S | 34 | Very low | 35.4 | Very low | 118 Ų | 118 | 156.3 Ų | 156.3 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -61.6 | 142.1 | -178.4 | -167.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 494 | A | 35.2 | Very low | 35.5 | Very low | 88 Ų | 88 | 152.9 Ų | 152.9 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | trans | -75.9 | 142.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 495 | V | 36.6 | Very low | 35.8 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | trans | -126.8 | 92.9 | 163.6 | -179.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 496 | L | 37.5 | Very low | 36.2 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 89% | 0.885 | 83% | 0.832 | S | S | * | * | trans | -134 | 121.8 | 161.8 | -74 | 177.8 | 0 | 0 | 0 | 107.1 | ||||
| 497 | G | 36.3 | Very low | 36.9 | Very low | 81 Ų | 81 | 151.3 Ų | 151.3 | 84% | 0.835 | 85% | 0.846 | S | S | * | * | trans | -74.7 | 144.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 498 | L | 38.1 | Very low | 36.9 | Very low | 177 Ų | 177 | 149.6 Ų | 149.6 | 93% | 0.927 | 84% | 0.842 | S | S | * | * | trans | -108.6 | 136.2 | 167.1 | -93.6 | 165.3 | 0 | 0 | 0 | 109.8 | ||||
| 499 | L | 35.9 | Very low | 37.1 | Very low | 172 Ų | 172 | 146.6 Ų | 146.6 | 90% | 0.901 | 84% | 0.839 | S | S | * | * | trans | -77.5 | 154.9 | 174.5 | -93.8 | 144.5 | 0 | 0 | 0 | 111.1 | ||||
| 500 | Q | 36.9 | Very low | 37.2 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 84% | 0.842 | S | S | * | * | trans | -80 | 130.9 | -172.2 | -179.9 | 177.4 | -11.2 | 0 | 0 | 111.7 | ||||
| 501 | V | 37.2 | Very low | 37.5 | Very low | 148 Ų | 148 | 151.4 Ų | 151.4 | 90% | 0.897 | 85% | 0.854 | S | S | * | * | trans | -135.1 | 160 | 165.3 | -176.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 502 | E | 37.8 | Very low | 37.7 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 77% | 0.771 | 86% | 0.86 | S | S | * | * | trans | -116.7 | 165.6 | -147.6 | -158 | -179.8 | 158.8 | 0 | 0 | 113.8 | ||||
| 503 | T | 41.1 | Very low | 37.8 | Very low | 138 Ų | 138 | 149.5 Ų | 149.5 | 85% | 0.847 | 86% | 0.859 | S | S | * | * | trans | 68.3 | 148.9 | 171.4 | 73.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 504 | G | 35 | Very low | 38 | Very low | 69 Ų | 69 | 151.8 Ų | 151.8 | 71% | 0.711 | 86% | 0.862 | S | S | * | * | cis | 174.1 | 152 | -10.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 505 | Q | 39.6 | Very low | 38.2 | Very low | 195 Ų | 195 | 156.7 Ų | 156.7 | 91% | 0.911 | 87% | 0.872 | S | S | * | * | trans | 51 | 124.6 | 173.5 | -66.2 | -178.2 | -27.1 | 0 | 0 | 117.9 | ||||
| 506 | A | 40 | Very low | 38.4 | Very low | 88 Ų | 88 | 158.3 Ų | 158.3 | 73% | 0.727 | 88% | 0.876 | S | S | * | * | cis | 76.5 | 98.6 | 37.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 507 | Y | 45.1 | Very low | 38.5 | Very low | 309 Ų | 309 | 157.4 Ų | 157.4 | 100% | 1.212 | 88% | 0.875 | S | S | * | * | trans | -150.7 | 0 | 131.2 | -107.9 | -71.4 | 0 | 0 | 0 | 109.6 |
Retrieved 507 of 507 residues in 393.9 ms
(Link to these results)