| 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 | 37.9 | Very low | 41.1 | Very low | 235 Ų | 235 | 144 Ų | 144 | 100% | 1.158 | 85% | 0.852 | S | S | * | * | 0 | 167.6 | 0 | -78.7 | -178.9 | 167.8 | 0 | 0 | 109 | |||||
| 2 | T | 41.2 | Very low | 41 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 86% | 0.859 | 85% | 0.845 | S | S | * | * | trans | 64.2 | 107.3 | 163.3 | -27.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 3 | A | 38.3 | Very low | 41.5 | Very low | 91 Ų | 91 | 150.2 Ų | 150.2 | 75% | 0.752 | 84% | 0.842 | S | S | * | * | trans | -85 | 167.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 4 | L | 47.1 | Very low | 41.5 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 94% | 0.942 | 84% | 0.842 | S | S | * | * | trans | -149.1 | 149.1 | 142.7 | -108.1 | 172.8 | 0 | 0 | 0 | 109.6 | ||||
| 5 | A | 41.2 | Very low | 41.4 | Very low | 91 Ų | 91 | 146.3 Ų | 146.3 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 142.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S7 | A5-S7 PolarHBondContact O-N 2.98Š|
| 6 | G | 37.4 | Very low | 41.2 | Very low | 78 Ų | 78 | 147.7 Ų | 147.7 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68 | 121.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 7 | S | 42 | Very low | 41.1 | Very low | 115 Ų | 115 | 143.9 Ų | 143.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 123.2 | -178.5 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | A5 | A5-S7 PolarHBondContact O-N 2.98Š|
| 8 | V | 44.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 145.7 Ų | 145.7 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 131.2 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | R10 | V8-R10 PolarHBondContact O-N 2.66Š|
| 9 | P | 43.9 | Very low | 40.5 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.8 | 179.7 | 24.1 | -33.2 | 0 | 0 | 0 | 111.5 | M11 | P9-M11 PolarHBondContact O-N 3.1Å; P9-M11 VanDerWaalsContact O-N 3.1Å |
| 10 | R | 39.6 | Very low | 40.2 | Very low | 220 Ų | 220 | 149.2 Ų | 149.2 | 83% | 0.83 | 83% | 0.825 | S | S | * | * | trans | -67 | 101.8 | -175.9 | -176.3 | -179.7 | -172.4 | 163 | 0.6 | 110.9 | V8 M12 | V8-R10 PolarHBondContact O-N 2.66Å; R10-M12 PolarHBondContact O-N 2.67Å | ||
| 11 | M | 38.5 | Very low | 40 | Very low | 185 Ų | 185 | 147.4 Ų | 147.4 | 91% | 0.911 | 82% | 0.821 | S | S | * | * | trans | -54.6 | 114.2 | 171.4 | -80.7 | 176.9 | 60.9 | 0 | 0 | 110.4 | P9 | P9-M11 PolarHBondContact O-N 3.1Å; P9-M11 VanDerWaalsContact O-N 3.1Å | ||
| 12 | M | 39.7 | Very low | 40.1 | Very low | 157 Ų | 157 | 147.9 Ų | 147.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | trans | -70.3 | 140.1 | 175.1 | -76.9 | -64.9 | -176.8 | 0 | 0 | 110.6 | R10 P14 | R10-M12 PolarHBondContact O-N 2.67Å; M12-P14 WeakPolarHBondContact O-CD 3.21Å | ||
| 13 | R | 47.5 | Very low | 39.9 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | trans | -83.9 | 114 | 178.9 | -178.8 | -171.3 | -169.6 | 179.9 | 4.5 | 109.4 | T15 | R13-T15 HydrophobicContact CG-CG2 4.3Å; R13-T15 PolarHBondContact O-N 3.38Å | ||
| 14 | P | 41.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -71.1 | 113.3 | 174.9 | -15.8 | 32 | 0 | 0 | 0 | 109.8 | M12 | M12-P14 WeakPolarHBondContact O-CD 3.21Š| ||
| 15 | T | 41.1 | Very low | 39.2 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 69% | 0.687 | 79% | 0.788 | S | S | * | * | trans | -111.6 | 99.1 | 169.8 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | R13 | R13-T15 HydrophobicContact CG-CG2 4.3Å; R13-T15 PolarHBondContact O-N 3.38Å | ||
| 16 | L | 38.4 | Very low | 39.2 | Very low | 169 Ų | 169 | 145.1 Ų | 145.1 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | trans | -149.5 | 129.6 | 161.4 | -129.5 | 166.3 | 0 | 0 | 0 | 108.8 | ||||
| 17 | A | 38.4 | Very low | 39.6 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | -85.5 | 117.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N19 | A17-N19 PolarHBondContact O-N 3.25Š| ||
| 18 | Q | 34.9 | Very low | 39.7 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -79.3 | 111.3 | 163.5 | -78.3 | -178 | -45.3 | 0 | 0 | 109.2 | Y20 | Q18-Y20 PolarHBondContact O-N 3.34Š| ||
| 19 | N | 35.9 | Very low | 39.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | -65.1 | 113.5 | 171.4 | -82.4 | -58.5 | 0 | 0 | 0 | 110 | A17 | A17-N19 PolarHBondContact O-N 3.25Š| ||
| 20 | Y | 35.7 | Very low | 39.9 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | trans | -86.3 | 136.8 | 155.5 | -88.4 | -91 | 0 | 0 | 0 | 109.1 | Q18 R22 | Q18-Y20 PolarHBondContact O-N 3.34Å; Y20-R22 PolarHBondContact O-N 3.25Å | ||
| 21 | P | 35.2 | Very low | 40.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | -62.6 | 123.3 | -176.2 | 24.4 | -33.4 | 0 | 0 | 0 | 110.9 | S23 | P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 3.04Å | ||
| 22 | R | 41.1 | Very low | 41.2 | Very low | 245 Ų | 245 | 134.9 Ų | 134.9 | 93% | 0.925 | 72% | 0.724 | S | S | * | * | trans | -75.5 | 77 | 178.3 | -173.5 | -175.1 | 178.2 | -163.1 | -0.7 | 109.7 | Y20 G24 | Y20-R22 PolarHBondContact O-N 3.25Å; R22-G24 PolarHBondContact O-N 3.4Å | ||
| 23 | S | 35.7 | Very low | 41.6 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | -69.8 | 63.2 | 173 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | P21 F25 | P21-S23 VanDerWaalsContact C-N 3.26Å; P21-S23 PolarHBondContact O-N 3.04Å; S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.24Å | ||
| 24 | G | 33.5 | Very low | 42 | Very low | 59 Ų | 59 | 129 Ų | 129 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -77.2 | 80.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | R22 P26 | R22-G24 PolarHBondContact O-N 3.4Å; G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.42Å | ||
| 25 | F | 36.8 | Very low | 43.2 | Very low | 183 Ų | 183 | 129 Ų | 129 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | trans | -62 | 118 | 155.9 | -75.5 | -82.8 | 0 | 0 | 0 | 107.9 | S23 L27 | S23-F25 VanDerWaalsContact C-N 3.33Å; S23-F25 PolarHBondContact O-N 3.24Å; F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.42Å | ||
| 26 | P | 42.4 | Very low | 45 | Very low | 104 Ų | 104 | 125.2 Ų | 125.2 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | trans | -70.6 | 94.9 | 168.8 | 30 | -31 | 0 | 0 | 0 | 106.9 | G24 E28 | G24-P26 VanDerWaalsContact O-CD 3.26Å; G24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-E28 PolarHBondContact O-N 3.3Å | ||
| 27 | L | 45.7 | Very low | 47.3 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 71% | 0.707 | 69% | 0.688 | S | S | * | * | trans | -74.2 | 78.4 | 172.7 | -155.9 | 83.2 | 0 | 0 | 0 | 108.1 | F25 V29 | F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 3.42Å; L27-V29 HydrophobicContact CD2-CG2 4.08Å; L27-V29 HydrophobicContact CG-CG2 4.38Å; L27-V29 PolarHBondContact O-N 3.16Å | ||
| 28 | E | 43.9 | Very low | 49.9 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -62 | 78.1 | 170.4 | -80.7 | -60.2 | 125.2 | 0 | 0 | 109.2 | P26 S30 | P26-E28 PolarHBondContact O-N 3.3Å; E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.39Å; E28-S30 PolarHBondContact O-OG 3.49Å | ||
| 29 | V | 49.4 | Very low | 52.7 | Low | 73 Ų | 73 | 118.8 Ų | 118.8 | 44% | 0.442 | 65% | 0.654 | S | S | . | * | trans | -64.8 | 98.6 | 166.3 | 171.8 | 0 | 0 | 0 | 0 | 106 | L27 T31 | L27-V29 HydrophobicContact CD2-CG2 4.08Å; L27-V29 HydrophobicContact CG-CG2 4.38Å; L27-V29 PolarHBondContact O-N 3.16Å; V29-T31 HydrophobicContact CG1-CG2 4.23Å; V29-T31 PolarHBondContact O-N 3.18Å | ||
| 30 | S | 43 | Very low | 55.4 | Low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -65.8 | 71.5 | 177.1 | -42.3 | 0 | 0 | 0 | 0 | 110.8 | E28 P32 | E28-S30 VanDerWaalsContact C-N 3.31Å; E28-S30 PolarHBondContact O-N 3.39Å; E28-S30 PolarHBondContact O-OG 3.49Å; S30-P32 WeakPolarHBondContact O-CD 3.41Å | ||
| 31 | T | 55.4 | Low | 58 | Low | 56 Ų | 56 | 114.9 Ų | 114.9 | 34% | 0.344 | 64% | 0.64 | S | S | . | * | trans | -63.8 | 122.7 | 163.8 | 44 | 0 | 0 | 0 | 0 | 107.8 | V29 I46 | V29-T31 HydrophobicContact CG1-CG2 4.23Å; V29-T31 PolarHBondContact O-N 3.18Å; T31-I46 HydrophobicContact CG2-CD1 4.28Å | ||
| 32 | P | 49.5 | Very low | 60.7 | Low | 100 Ų | 100 | 111 Ų | 111 | 65% | 0.649 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -56.7 | 144.7 | 169 | 24.9 | -33.1 | 0 | 0 | 0 | 109.6 | S30 | S30-P32 WeakPolarHBondContact O-CD 3.41Š|
| 33 | L | 48.3 | Very low | 63.1 | Low | 166 Ų | 166 | 99.8 Ų | 99.8 | 87% | 0.869 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.4 | 135.5 | -149.8 | -72.5 | 68.3 | 0 | 0 | 0 | 115.7 | Q35 | L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.47Å |
| 34 | G | 55.6 | Low | 65.8 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 83% | 0.825 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.2 | -13.4 | 154.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 35 | Q | 67.6 | Low | 68.7 | Low | 129 Ų | 129 | 100.1 Ų | 100.1 | 60% | 0.603 | 56% | 0.562 | S | S | * | * | trans | -85.6 | -4.3 | -175.3 | -65.7 | -165.7 | -9.1 | 0 | 0 | 115.5 | L33 R37 | L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.47Å; Q35-R37 PolarHBondContact O-N 3.09Å | ||
| 36 | G | 77.8 | Confident | 71.3 | Confident | 32 Ų | 32 | 93.6 Ų | 93.6 | 33% | 0.33 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 37 | R | 88.1 | Confident | 73.5 | Confident | 156 Ų | 156 | 93.3 Ų | 93.3 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 148.8 | 170.4 | -64.6 | -171.6 | -179.2 | -158.1 | -1.7 | 110 | Q35 V44 F45 | Q35-R37 PolarHBondContact O-N 3.09Å; R37-V44 CarbonylContact O-C 3.55Å; R37-V44 WeakPolarHBondContact O-CA 3.39Å; R37-F45 HydrophobicContact CB-CD1 4.28Å; R37-F45 HydrophobicContact CB-CE1 3.72Å; R37-F45 HydrophobicContact CB-CE2 4.38Å; R37-F45 HydrophobicContact CB-CZ 3.79Å; R37-F45 PolarHBondContact N-O 3.16Å; R37-F45 WeakPolarHBondContact O-CD1 3.35Å; R37-F45 PolarHBondContact O-N 3.3Å |
| 38 | V | 92.6 | Very high | 75.5 | Confident | 99 Ų | 99 | 90.2 Ų | 90.2 | 60% | 0.6 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 137.6 | 174 | -173.1 | 0 | 0 | 0 | 0 | 109.6 | G43 | V38-G43 WeakPolarHBondContact CA-O 3.25Å |
| 39 | N | 92.6 | Very high | 77.8 | Confident | 40 Ų | 40 | 90.9 Ų | 90.9 | 21% | 0.214 | 52% | 0.524 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 172.7 | 176.8 | 71.3 | 40.6 | 0 | 0 | 0 | 112.2 | L41 G42 G43 F45 R77 | N39-L41 PolarHBondContact O-N 3.42Å; N39-L41 WeakPolarHBondContact OD1-CA 3.18Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.18Å; N39-G42 PolarHBondContact O-N 2.71Å; N39-G42 PolarHBondContact OD1-N 3.41Å; N39-G43 VanDerWaalsContact CG-O 3.24Å; N39-G43 PolarHBondContact N-O 3.01Å; N39-G43 PolarHBondContact ND2-O 3.34Å; N39-G43 PolarHBondContact OD1-N 3.38Å; N39-G43 VanDerWaalsContact OD1-N 3.15Å; N39-F45 HydrophobicContact CB-CD1 3.94Å; N39-F45 HydrophobicContact CB-CE1 3.78Å; N39-R77 PolarHBondContact ND2-O 3.34Å; N39-R77 PolarHBondContact OD1-O 3.25Å |
| 40 | Q | 93.3 | Very high | 79.9 | Confident | 207 Ų | 207 | 90.5 Ų | 90.5 | 97% | 0.967 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -11.4 | -179.5 | -69.9 | 175.7 | -31.2 | 0 | 0 | 115.3 | ||
| 41 | L | 91 | Very high | 82.4 | Confident | 71 Ų | 71 | 86.8 Ų | 86.8 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 5.6 | 174.8 | -56.1 | 172.9 | 0 | 0 | 0 | 112.2 | N39 S73 R77 V78 | N39-L41 PolarHBondContact O-N 3.42Å; N39-L41 WeakPolarHBondContact OD1-CA 3.18Å; N39-L41 WeakPolarHBondContact OD1-CB 3.25Å; N39-L41 PolarHBondContact OD1-N 3.18Å; L41-S73 WeakPolarHBondContact CD1-O 3.11Å; L41-R77 HydrophobicContact CB-CB 4.14Å; L41-R77 WeakPolarHBondContact O-CB 3.24Å; L41-R77 VanDerWaalsContact O-CD 3.26Å; L41-R77 WeakPolarHBondContact O-CD 3.48Å; L41-R77 VanDerWaalsContact O-CG 3.29Å; L41-R77 WeakPolarHBondContact O-CG 3.28Å; L41-V78 WeakPolarHBondContact CD1-O 3.3Å |
| 42 | G | 90.4 | Very high | 84.3 | Confident | 32 Ų | 32 | 87 Ų | 87 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | S | Bend | trans | 74.6 | 21.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N39 R77 | N39-G42 PolarHBondContact O-N 2.71Å; N39-G42 PolarHBondContact OD1-N 3.41Å; G42-R77 WeakPolarHBondContact O-CD 3.49Å; G42-R77 PolarHBondContact O-NH1 3.02Å |
| 43 | G | 92.4 | Very high | 86.5 | Confident | 9 Ų | 9 | 86.2 Ų | 86.2 | 9% | 0.093 | 49% | 0.487 | C | S | . | . | trans | -100.2 | 137.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V38 N39 | V38-G43 WeakPolarHBondContact CA-O 3.25Å; N39-G43 VanDerWaalsContact CG-O 3.24Å; N39-G43 PolarHBondContact N-O 3.01Å; N39-G43 PolarHBondContact ND2-O 3.34Å; N39-G43 PolarHBondContact OD1-N 3.38Å; N39-G43 VanDerWaalsContact OD1-N 3.15Å | ||
| 44 | V | 93.2 | Very high | 88.7 | Confident | 95 Ų | 95 | 83 Ų | 83 | 58% | 0.576 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 138.4 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | R37 | R37-V44 CarbonylContact O-C 3.55Å; R37-V44 WeakPolarHBondContact O-CA 3.39Å |
| 45 | F | 93.6 | Very high | 90.7 | Very high | 69 Ų | 69 | 81.1 Ų | 81.1 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 154.3 | 174.9 | 73.2 | -76.3 | 0 | 0 | 0 | 111.6 | R37 N39 | R37-F45 HydrophobicContact CB-CD1 4.28Å; R37-F45 HydrophobicContact CB-CE1 3.72Å; R37-F45 HydrophobicContact CB-CE2 4.38Å; R37-F45 HydrophobicContact CB-CZ 3.79Å; R37-F45 PolarHBondContact N-O 3.16Å; R37-F45 WeakPolarHBondContact O-CD1 3.35Å; R37-F45 PolarHBondContact O-N 3.3Å; N39-F45 HydrophobicContact CB-CD1 3.94Å; N39-F45 HydrophobicContact CB-CE1 3.78Å |
| 46 | I | 92.3 | Very high | 92.1 | Very high | 46 Ų | 46 | 76 Ų | 76 | 24% | 0.236 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 129.4 | 172.6 | -55.9 | 172.8 | 0 | 0 | 0 | 108.3 | T31 R49 | T31-I46 HydrophobicContact CG2-CD1 4.28Å; I46-R49 HydrophobicContact CB-CB 4.19Å; I46-R49 HydrophobicContact CB-CG 4.4Å; I46-R49 HydrophobicContact CG2-CB 4.22Å; I46-R49 HydrophobicContact CG2-CG 3.92Å; I46-R49 PolarHBondContact O-N 3.2Å |
| 47 | N | 88.5 | Confident | 93.1 | Very high | 98 Ų | 98 | 79.1 Ų | 79.1 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 139.8 | -179.3 | -118.5 | -14 | 0 | 0 | 0 | 111.1 | R49 | N47-R49 PolarHBondContact O-N 3.06Š|
| 48 | G | 87.4 | Confident | 93.5 | Very high | 70 Ų | 70 | 75.6 Ų | 75.6 | 72% | 0.722 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | -18.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 49 | R | 91.3 | Very high | 93.8 | Very high | 170 Ų | 170 | 70.9 Ų | 70.9 | 64% | 0.642 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -87.8 | 153.6 | 176.9 | -65.7 | -164.3 | -176.7 | -136.3 | 0.2 | 112 | I46 N47 | I46-R49 HydrophobicContact CB-CB 4.19Å; I46-R49 HydrophobicContact CB-CG 4.4Å; I46-R49 HydrophobicContact CG2-CB 4.22Å; I46-R49 HydrophobicContact CG2-CG 3.92Å; I46-R49 PolarHBondContact O-N 3.2Å; N47-R49 PolarHBondContact O-N 3.06Å |
| 50 | P | 94.7 | Very high | 94 | Very high | 65 Ų | 65 | 69.6 Ų | 69.6 | 42% | 0.422 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 153.1 | 171.3 | 30.2 | -34.1 | 0 | 0 | 0 | 111.1 | P98 I101 | P50-P98 HydrophobicContact CB-CB 3.74Å; P50-P98 HydrophobicContact CB-CG 4.03Å; P50-P98 HydrophobicContact CG-CB 4.33Å; P50-P98 HydrophobicContact CG-CG 4.19Å; P50-I101 HydrophobicContact CB-CD1 4.24Å; P50-I101 HydrophobicContact CG-CD1 4.2Å |
| 51 | L | 95.1 | Very high | 94.2 | Very high | 32 Ų | 32 | 63.5 Ų | 63.5 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 142 | 173.7 | -168.6 | 70.4 | 0 | 0 | 0 | 110.8 | I55 R56 I59 V78 I86 | L51-I55 HydrophobicContact CD1-CG2 4.46Å; L51-I55 HydrophobicContact CD2-CB 4.11Å; L51-I55 HydrophobicContact CD2-CG2 3.68Å; L51-I55 HydrophobicContact CG-CB 4.12Å; L51-I55 HydrophobicContact CG-CG2 4.12Å; L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 HydrophobicContact CD2-CG 4.25Å; L51-R56 HydrophobicContact CG-CG 4.42Å; L51-R56 WeakPolarHBondContact O-CD 3.32Å; L51-I59 HydrophobicContact CD2-CD1 3.75Å; L51-V78 HydrophobicContact CD1-CG2 4.24Å; L51-V78 HydrophobicContact CD2-CG1 4.02Å; L51-V78 HydrophobicContact CD2-CG2 4.03Å; L51-I86 HydrophobicContact CD2-CD1 3.8Å |
| 52 | P | 95.1 | Very high | 94.6 | Very high | 60 Ų | 60 | 60.5 Ų | 60.5 | 39% | 0.39 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 145.6 | -179.4 | -28.2 | 36.1 | 0 | 0 | 0 | 113.9 | H54 I55 R56 | P52-H54 PolarHBondContact O-N 3.32Å; P52-I55 HydrophobicContact CB-CG1 4.35Å; P52-I55 PolarHBondContact O-N 3.01Å; P52-I55 VanDerWaalsContact O-N 3.14Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3Å |
| 53 | N | 95.2 | Very high | 94.9 | Very high | 85 Ų | 85 | 60.6 Ų | 60.6 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | -168.7 | -161.4 | 5.9 | 0 | 0 | 0 | 112.8 | I55 R56 H57 I96 | N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 3.27Å; N53-R56 WeakPolarHBondContact O-CA 3.49Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 3.15Å; N53-H57 PolarHBondContact O-CD2 3.29Å; N53-H57 PolarHBondContact O-N 3.45Å; N53-H57 PolarHBondContact OD1-CD2 3.17Å; N53-I96 WeakPolarHBondContact OD1-CD1 3.48Å |
| 54 | H | 95.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 68 Ų | 68 | 45% | 0.454 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.2 | -37.9 | 177.2 | 58.2 | -101.2 | 0 | 0 | 0 | 113.1 | P52 H57 K58 | P52-H54 PolarHBondContact O-N 3.32Å; H54-H57 PolarHBondContact O-N 3.17Å; H54-K58 WeakPolarHBondContact O-CB 3.23Å; H54-K58 PolarHBondContact O-N 3.41Å |
| 55 | I | 96.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 69.9 Ų | 69.9 | 21% | 0.205 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 174.7 | -50.7 | -64 | 0 | 0 | 0 | 110.9 | L51 P52 N53 K58 I59 L76 V78 | L51-I55 HydrophobicContact CD1-CG2 4.46Å; L51-I55 HydrophobicContact CD2-CB 4.11Å; L51-I55 HydrophobicContact CD2-CG2 3.68Å; L51-I55 HydrophobicContact CG-CB 4.12Å; L51-I55 HydrophobicContact CG-CG2 4.12Å; P52-I55 HydrophobicContact CB-CG1 4.35Å; P52-I55 PolarHBondContact O-N 3.01Å; P52-I55 VanDerWaalsContact O-N 3.14Å; N53-I55 VanDerWaalsContact C-N 3.31Å; N53-I55 PolarHBondContact O-N 3.27Å; I55-K58 PolarHBondContact O-N 3.31Å; I55-I59 HydrophobicContact CG2-CD1 4.21Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.61Å; I55-L76 HydrophobicContact CG2-CD1 4.36Å; I55-V78 HydrophobicContact CG2-CG2 3.73Å |
| 56 | R | 97.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -40.3 | 177.3 | -63.4 | 173.5 | 61.9 | 85.2 | 7.3 | 111.7 | L51 P52 N53 V60 I86 I96 R97 | L51-R56 HydrophobicContact CB-CG 4.12Å; L51-R56 HydrophobicContact CD2-CG 4.25Å; L51-R56 HydrophobicContact CG-CG 4.42Å; L51-R56 WeakPolarHBondContact O-CD 3.32Å; P52-R56 WeakPolarHBondContact O-CG 3.37Å; P52-R56 PolarHBondContact O-N 3Å; N53-R56 WeakPolarHBondContact O-CA 3.49Å; N53-R56 WeakPolarHBondContact O-CB 3.31Å; N53-R56 PolarHBondContact O-N 3.15Å; R56-V60 PolarHBondContact O-N 3.34Å; R56-I86 HydrophobicContact CG-CD1 4.09Å; R56-I96 PolarHBondContact NE-O 3.05Å; R56-I96 PolarHBondContact NH2-O 3.48Å; R56-R97 PolarHBondContact NH2-O 2.95Å |
| 57 | H | 97.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 70 Ų | 70 | 45% | 0.454 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.6 | -52.1 | 167.5 | -82.6 | -86.7 | 0 | 0 | 0 | 111 | N53 H54 I59 V60 E61 I96 | N53-H57 PolarHBondContact O-CD2 3.29Å; N53-H57 PolarHBondContact O-N 3.45Å; N53-H57 PolarHBondContact OD1-CD2 3.17Å; H54-H57 PolarHBondContact O-N 3.17Å; H57-I59 VanDerWaalsContact C-N 3.27Å; H57-I59 PolarHBondContact O-N 2.84Å; H57-V60 PolarHBondContact O-N 3.17Å; H57-E61 WeakPolarHBondContact O-CB 3.25Å; H57-E61 PolarHBondContact O-N 2.63Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å |
| 58 | K | 97.9 | Very high | 96.1 | Very high | 82 Ų | 82 | 74 Ų | 74 | 36% | 0.357 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.5 | -33.6 | -176.5 | -160.4 | 54.5 | 156.8 | -177.1 | 0 | 113.4 | H54 I55 E61 M62 L76 | H54-K58 WeakPolarHBondContact O-CB 3.23Å; H54-K58 PolarHBondContact O-N 3.41Å; I55-K58 PolarHBondContact O-N 3.31Å; K58-E61 WeakPolarHBondContact CD-OE2 3.35Å; K58-E61 WeakPolarHBondContact CE-OE2 3.29Å; K58-E61 IonicContact NZ-OE1 2.73Å; K58-E61 PolarHBondContact NZ-OE1 3.47Å; K58-E61 IonicContact NZ-OE2 3.64Å; K58-E61 PolarHBondContact NZ-OE2 2.88Å; K58-M62 HydrophobicContact CD-CG 4.35Å; K58-M62 HydrophobicContact CG-CG 4.35Å; K58-M62 HydrophobicContact CG-SD 4.16Å; K58-M62 VanDerWaalsContact O-CB 3.31Å; K58-M62 WeakPolarHBondContact O-CB 3.45Å; K58-M62 WeakPolarHBondContact O-CG 3.26Å; K58-M62 PolarHBondContact O-N 3.09Å; K58-L76 HydrophobicContact CB-CD1 4.11Å; K58-L76 HydrophobicContact CB-CD2 4.43Å; K58-L76 HydrophobicContact CG-CD1 4.15Å; K58-L76 HydrophobicContact CG-CD2 3.82Å |
| 59 | I | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 171.8 | -75.9 | 166.2 | 0 | 0 | 0 | 111.8 | L51 I55 H57 A63 I72 L76 V78 V83 I86 L87 | L51-I59 HydrophobicContact CD2-CD1 3.75Å; I55-I59 HydrophobicContact CG2-CD1 4.21Å; I55-I59 VanDerWaalsContact O-CG1 3.31Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.61Å; H57-I59 VanDerWaalsContact C-N 3.27Å; H57-I59 PolarHBondContact O-N 2.84Å; I59-A63 WeakPolarHBondContact O-CB 3.36Å; I59-A63 PolarHBondContact O-N 2.68Å; I59-I72 HydrophobicContact CB-CG2 4.36Å; I59-I72 HydrophobicContact CG1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CG2 4.49Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.57Å; I59-V78 HydrophobicContact CD1-CG1 4.22Å; I59-V78 HydrophobicContact CD1-CG2 4.47Å; I59-V83 HydrophobicContact CD1-CG2 4.24Å; I59-V83 HydrophobicContact CG1-CG2 4.46Å; I59-V83 HydrophobicContact CG2-CG1 4.03Å; I59-I86 HydrophobicContact CB-CG2 4.41Å; I59-I86 HydrophobicContact CD1-CD1 3.6Å; I59-I86 HydrophobicContact CG2-CB 4.2Å; I59-I86 HydrophobicContact CG2-CG2 3.83Å; I59-L87 HydrophobicContact CG2-CD2 3.8Å; I59-L87 HydrophobicContact CG2-CG 3.91Å |
| 60 | V | 97.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 67 Ų | 67 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -74.5 | -45.1 | -179.6 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | R56 H57 M62 A63 H64 I86 L87 Y90 I96 | R56-V60 PolarHBondContact O-N 3.34Å; H57-V60 PolarHBondContact O-N 3.17Å; V60-M62 PolarHBondContact O-N 3Å; V60-A63 PolarHBondContact O-N 3.15Å; V60-A63 VanDerWaalsContact O-N 3.11Å; V60-H64 PolarHBondContact O-N 2.76Å; V60-I86 HydrophobicContact CG2-CG2 4.27Å; V60-L87 HydrophobicContact CG2-CD2 4.15Å; V60-Y90 HydrophobicContact CG1-CD1 3.65Å; V60-Y90 HydrophobicContact CG1-CD2 4.09Å; V60-Y90 HydrophobicContact CG1-CE1 3.4Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.4Å; V60-Y90 HydrophobicContact CG1-CE2 3.88Å; V60-Y90 HydrophobicContact CG1-CG 3.99Å; V60-Y90 HydrophobicContact CG2-CD1 4.12Å; V60-Y90 HydrophobicContact CG2-CD2 4.09Å; V60-Y90 HydrophobicContact CG2-CG 3.8Å; V60-I96 HydrophobicContact CB-CG2 4.42Å; V60-I96 HydrophobicContact CG2-CG2 3.96Å |
| 61 | E | 97.8 | Very high | 96.9 | Very high | 80 Ų | 80 | 66.3 Ų | 66.3 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.7 | -49.8 | 176.6 | -171.2 | -142.9 | 112 | 0 | 0 | 111.2 | H57 K58 A63 H64 H65 | H57-E61 WeakPolarHBondContact O-CB 3.25Å; H57-E61 PolarHBondContact O-N 2.63Å; K58-E61 WeakPolarHBondContact CD-OE2 3.35Å; K58-E61 WeakPolarHBondContact CE-OE2 3.29Å; K58-E61 IonicContact NZ-OE1 2.73Å; K58-E61 PolarHBondContact NZ-OE1 3.47Å; K58-E61 IonicContact NZ-OE2 3.64Å; K58-E61 PolarHBondContact NZ-OE2 2.88Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.6Å; E61-H64 WeakPolarHBondContact O-CB 3.47Å; E61-H64 PolarHBondContact O-N 2.97Å; E61-H65 PolarHBondContact O-N 2.72Å; E61-H65 VanDerWaalsContact O-N 3.13Å; E61-H65 PolarHBondContact O-ND1 2.93Å |
| 62 | M | 98.1 | Very high | 97 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.034 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.9 | -37.4 | 177.1 | -71.7 | 177.8 | 74.1 | 0 | 0 | 112.5 | K58 V60 H64 H65 I67 I72 Q75 L76 | K58-M62 HydrophobicContact CD-CG 4.35Å; K58-M62 HydrophobicContact CG-CG 4.35Å; K58-M62 HydrophobicContact CG-SD 4.16Å; K58-M62 VanDerWaalsContact O-CB 3.31Å; K58-M62 WeakPolarHBondContact O-CB 3.45Å; K58-M62 WeakPolarHBondContact O-CG 3.26Å; K58-M62 PolarHBondContact O-N 3.09Å; V60-M62 PolarHBondContact O-N 3Å; M62-H64 VanDerWaalsContact C-N 3.34Å; M62-H65 CarbonylContact O-C 3.49Å; M62-H65 PolarHBondContact O-N 3.07Å; M62-I67 HydrophobicContact CB-CB 4.3Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.86Å; M62-I67 HydrophobicContact CE-CG2 4.13Å; M62-I67 HydrophobicContact CG-CD1 4.14Å; M62-I67 WeakPolarHBondContact O-CB 3.15Å; M62-I67 WeakPolarHBondContact O-CG1 3.41Å; M62-I67 PolarHBondContact O-N 3.15Å; M62-I72 HydrophobicContact CB-CD1 3.81Å; M62-I72 HydrophobicContact CB-CG1 3.86Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.11Å; M62-I72 HydrophobicContact SD-CG1 4.49Å; M62-I72 HydrophobicContact SD-CG2 4.18Å; M62-Q75 HydrophobicContact CE-CB 4.17Å; M62-Q75 VanDerWaalsContact CE-CD 3.48Å; M62-Q75 HydrophobicContact CE-CG 4.15Å; M62-L76 HydrophobicContact SD-CD1 3.83Å; M62-L76 HydrophobicContact SD-CD2 3.97Å; M62-L76 HydrophobicContact SD-CG 3.86Å |
| 63 | A | 97.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 62.2 Ų | 62.2 | 29% | 0.289 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.6 | -32.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I59 V60 E61 H65 G66 I72 L87 | I59-A63 WeakPolarHBondContact O-CB 3.36Å; I59-A63 PolarHBondContact O-N 2.68Å; V60-A63 PolarHBondContact O-N 3.15Å; V60-A63 VanDerWaalsContact O-N 3.11Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.6Å; A63-H65 VanDerWaalsContact C-N 3.34Å; A63-G66 PolarHBondContact O-N 2.74Å; A63-G66 VanDerWaalsContact O-N 3.09Å; A63-I72 HydrophobicContact CB-CD1 3.85Å; A63-L87 HydrophobicContact CB-CD1 4.02Å; A63-L87 HydrophobicContact CB-CD2 3.49Å; A63-L87 VanDerWaalsContact CB-CD2 3.49Å; A63-L87 HydrophobicContact CB-CG 4.43Å |
| 64 | H | 96.8 | Very high | 97.3 | Very high | 164 Ų | 164 | 65.3 Ų | 65.3 | 76% | 0.759 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -65.9 | -36.9 | 173.3 | -163.6 | -96.2 | 0 | 0 | 0 | 111.7 | V60 E61 M62 G66 | V60-H64 PolarHBondContact O-N 2.76Å; E61-H64 WeakPolarHBondContact O-CB 3.47Å; E61-H64 PolarHBondContact O-N 2.97Å; M62-H64 VanDerWaalsContact C-N 3.34Å; H64-G66 PolarHBondContact O-N 3.4Å |
| 65 | H | 97.7 | Very high | 97.3 | Very high | 134 Ų | 134 | 66.6 Ų | 66.6 | 62% | 0.62 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 19 | 168.9 | -65.4 | 86.8 | 0 | 0 | 0 | 113.8 | E61 M62 A63 I67 | E61-H65 PolarHBondContact O-N 2.72Å; E61-H65 VanDerWaalsContact O-N 3.13Å; E61-H65 PolarHBondContact O-ND1 2.93Å; M62-H65 CarbonylContact O-C 3.49Å; M62-H65 PolarHBondContact O-N 3.07Å; A63-H65 VanDerWaalsContact C-N 3.34Å; H65-I67 HydrophobicContact CB-CG1 4.39Å; H65-I67 PolarHBondContact O-N 3.24Å; H65-I67 VanDerWaalsContact O-N 3.16Å |
| 66 | G | 96 | Very high | 97.4 | Very high | 63 Ų | 63 | 66.6 Ų | 66.6 | 65% | 0.649 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 5.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A63 H64 R68 | A63-G66 PolarHBondContact O-N 2.74Å; A63-G66 VanDerWaalsContact O-N 3.09Å; H64-G66 PolarHBondContact O-N 3.4Å; G66-R68 PolarHBondContact O-N 3.35Å |
| 67 | I | 97.7 | Very high | 97.3 | Very high | 55 Ų | 55 | 72.1 Ų | 72.1 | 28% | 0.282 | 35% | 0.354 | S | S | . | . | trans | -70.5 | 124 | -175.1 | -54.7 | 177.1 | 0 | 0 | 0 | 109.9 | M62 H65 V71 I72 | M62-I67 HydrophobicContact CB-CB 4.3Å; M62-I67 HydrophobicContact CB-CD1 4Å; M62-I67 HydrophobicContact CE-CD1 3.86Å; M62-I67 HydrophobicContact CE-CG2 4.13Å; M62-I67 HydrophobicContact CG-CD1 4.14Å; M62-I67 WeakPolarHBondContact O-CB 3.15Å; M62-I67 WeakPolarHBondContact O-CG1 3.41Å; M62-I67 PolarHBondContact O-N 3.15Å; H65-I67 HydrophobicContact CB-CG1 4.39Å; H65-I67 PolarHBondContact O-N 3.24Å; H65-I67 VanDerWaalsContact O-N 3.16Å; I67-V71 HydrophobicContact CG2-CB 3.75Å; I67-V71 HydrophobicContact CG2-CG1 3.7Å; I67-I72 HydrophobicContact CB-CG1 4.17Å; I67-I72 HydrophobicContact CG2-CG1 3.86Å; I67-I72 WeakPolarHBondContact O-CD1 3.49Å | ||
| 68 | R | 96.7 | Very high | 97.3 | Very high | 181 Ų | 181 | 67.9 Ų | 67.9 | 68% | 0.683 | 34% | 0.335 | S | S | * | . | trans | -59 | 136.5 | -176.5 | -62.9 | 173.9 | 70 | -169.2 | 4.5 | 111 | G66 C70 V71 I72 | G66-R68 PolarHBondContact O-N 3.35Å; R68-C70 PolarHBondContact O-N 2.96Å; R68-V71 HydrophobicContact CB-CG2 4.32Å; R68-V71 WeakPolarHBondContact O-CA 3.35Å; R68-V71 WeakPolarHBondContact O-CB 3.42Å; R68-V71 PolarHBondContact O-N 3.38Å; R68-I72 PolarHBondContact O-N 3.05Å | ||
| 69 | P | 95.8 | Very high | 97.3 | Very high | 54 Ų | 54 | 67.1 Ų | 67.1 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -54.5 | -27.6 | -176.5 | -31 | 36.3 | 0 | 0 | 0 | 116.1 | S73 V83 L87 | P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.45Å; P69-V83 HydrophobicContact CB-CG1 4.14Å; P69-L87 HydrophobicContact CB-CD1 4.24Å; P69-L87 HydrophobicContact CG-CD1 3.89Å |
| 70 | C | 96.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 72 Ų | 72 | 26% | 0.264 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -73.2 | -25.1 | 174.8 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | R68 R74 | R68-C70 PolarHBondContact O-N 2.96Å; C70-R74 PolarHBondContact O-N 2.8Å; C70-R74 PolarHBondContact O-NE 3.15Å; C70-R74 PolarHBondContact O-NH1 2.95Å |
| 71 | V | 97.6 | Very high | 97.2 | Very high | 51 Ų | 51 | 73.8 Ų | 73.8 | 31% | 0.309 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.2 | -48.3 | 171.6 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | I67 R68 S73 R74 Q75 | I67-V71 HydrophobicContact CG2-CB 3.75Å; I67-V71 HydrophobicContact CG2-CG1 3.7Å; R68-V71 HydrophobicContact CB-CG2 4.32Å; R68-V71 WeakPolarHBondContact O-CA 3.35Å; R68-V71 WeakPolarHBondContact O-CB 3.42Å; R68-V71 PolarHBondContact O-N 3.38Å; V71-S73 PolarHBondContact O-N 2.84Å; V71-R74 PolarHBondContact O-N 2.97Å; V71-Q75 WeakPolarHBondContact O-CB 3.44Å; V71-Q75 PolarHBondContact O-N 2.8Å |
| 72 | I | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -51.3 | -46.7 | 174 | -55.7 | -179.1 | 0 | 0 | 0 | 110.7 | I59 M62 A63 I67 R68 R74 Q75 L76 V83 | I59-I72 HydrophobicContact CB-CG2 4.36Å; I59-I72 HydrophobicContact CG1-CG2 3.96Å; I59-I72 HydrophobicContact CG2-CG2 4.49Å; M62-I72 HydrophobicContact CB-CD1 3.81Å; M62-I72 HydrophobicContact CB-CG1 3.86Å; M62-I72 HydrophobicContact CE-CB 4.44Å; M62-I72 HydrophobicContact CE-CG1 4.11Å; M62-I72 HydrophobicContact SD-CG1 4.49Å; M62-I72 HydrophobicContact SD-CG2 4.18Å; A63-I72 HydrophobicContact CB-CD1 3.85Å; I67-I72 HydrophobicContact CB-CG1 4.17Å; I67-I72 HydrophobicContact CG2-CG1 3.86Å; I67-I72 WeakPolarHBondContact O-CD1 3.49Å; R68-I72 PolarHBondContact O-N 3.05Å; I72-R74 PolarHBondContact O-N 2.9Å; I72-Q75 PolarHBondContact O-N 2.94Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 2.7Å; I72-V83 HydrophobicContact CB-CG1 4.19Å; I72-V83 HydrophobicContact CG2-CG1 4Å; I72-V83 HydrophobicContact CG2-CG2 4.42Å |
| 73 | S | 98.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 71.3 Ų | 71.3 | 5% | 0.049 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57 | -43.9 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 113.2 | L41 P69 V71 R77 V78 H80 | L41-S73 WeakPolarHBondContact CD1-O 3.11Å; P69-S73 VanDerWaalsContact O-CB 3.29Å; P69-S73 WeakPolarHBondContact O-CB 3.42Å; P69-S73 PolarHBondContact O-N 3.45Å; V71-S73 PolarHBondContact O-N 2.84Å; S73-R77 CarbonylContact O-C 3.27Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.31Å; S73-V78 CarbonylContact C-O 3.54Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.36Å; S73-V78 WeakPolarHBondContact CB-O 3.36Å; S73-V78 PolarHBondContact O-N 2.76Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.11Å; S73-H80 WeakPolarHBondContact OG-CA 3.22Å; S73-H80 PolarHBondContact OG-N 3.05Å; S73-H80 VanDerWaalsContact OG-N 3.16Å |
| 74 | R | 97.5 | Very high | 97.2 | Very high | 150 Ų | 150 | 72 Ų | 72 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -73 | -46.7 | 178.1 | -71.6 | -176.1 | -67 | -96.1 | 1.1 | 112.2 | C70 V71 I72 R77 | C70-R74 PolarHBondContact O-N 2.8Å; C70-R74 PolarHBondContact O-NE 3.15Å; C70-R74 PolarHBondContact O-NH1 2.95Å; V71-R74 PolarHBondContact O-N 2.97Å; I72-R74 PolarHBondContact O-N 2.9Å; R74-R77 PolarHBondContact O-N 3.12Å; R74-R77 VanDerWaalsContact O-N 3.17Å |
| 75 | Q | 97.2 | Very high | 97.2 | Very high | 125 Ų | 125 | 71.6 Ų | 71.6 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.6 | -43 | -174.5 | -175.5 | 169.4 | -7.1 | 0 | 0 | 112.5 | M62 V71 I72 R77 | M62-Q75 HydrophobicContact CE-CB 4.17Å; M62-Q75 VanDerWaalsContact CE-CD 3.48Å; M62-Q75 HydrophobicContact CE-CG 4.15Å; V71-Q75 WeakPolarHBondContact O-CB 3.44Å; V71-Q75 PolarHBondContact O-N 2.8Å; I72-Q75 PolarHBondContact O-N 2.94Å; Q75-R77 VanDerWaalsContact C-N 3.28Å |
| 76 | L | 97.2 | Very high | 97.1 | Very high | 39 Ų | 39 | 65.5 Ų | 65.5 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -0.8 | 175.5 | -56.1 | -179.1 | 0 | 0 | 0 | 112.8 | I55 K58 I59 M62 I72 V78 | I55-L76 HydrophobicContact CG2-CD1 4.36Å; K58-L76 HydrophobicContact CB-CD1 4.11Å; K58-L76 HydrophobicContact CB-CD2 4.43Å; K58-L76 HydrophobicContact CG-CD1 4.15Å; K58-L76 HydrophobicContact CG-CD2 3.82Å; I59-L76 HydrophobicContact CB-CD1 4.49Å; I59-L76 HydrophobicContact CG1-CD1 3.57Å; M62-L76 HydrophobicContact SD-CD1 3.83Å; M62-L76 HydrophobicContact SD-CD2 3.97Å; M62-L76 HydrophobicContact SD-CG 3.86Å; I72-L76 HydrophobicContact CG2-CD1 3.75Å; I72-L76 HydrophobicContact CG2-CG 4.36Å; I72-L76 WeakPolarHBondContact O-CB 3.42Å; I72-L76 PolarHBondContact O-N 2.7Å; L76-V78 HydrophobicContact CB-CG2 4.06Å; L76-V78 WeakPolarHBondContact O-CG2 3.45Å; L76-V78 PolarHBondContact O-N 3.36Å; L76-V78 VanDerWaalsContact O-N 3.15Å |
| 77 | R | 97.3 | Very high | 97.2 | Very high | 137 Ų | 137 | 63.2 Ų | 63.2 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30.3 | -175.2 | -52.3 | -177.6 | 177 | -169.2 | -1.2 | 113.8 | N39 L41 G42 S73 R74 Q75 | N39-R77 PolarHBondContact ND2-O 3.34Å; N39-R77 PolarHBondContact OD1-O 3.25Å; L41-R77 HydrophobicContact CB-CB 4.14Å; L41-R77 WeakPolarHBondContact O-CB 3.24Å; L41-R77 VanDerWaalsContact O-CD 3.26Å; L41-R77 WeakPolarHBondContact O-CD 3.48Å; L41-R77 VanDerWaalsContact O-CG 3.29Å; L41-R77 WeakPolarHBondContact O-CG 3.28Å; G42-R77 WeakPolarHBondContact O-CD 3.49Å; G42-R77 PolarHBondContact O-NH1 3.02Å; S73-R77 CarbonylContact O-C 3.27Å; S73-R77 WeakPolarHBondContact O-CA 3.46Å; S73-R77 PolarHBondContact O-N 3.31Å; R74-R77 PolarHBondContact O-N 3.12Å; R74-R77 VanDerWaalsContact O-N 3.17Å; Q75-R77 VanDerWaalsContact C-N 3.28Å |
| 78 | V | 96.8 | Very high | 97.1 | Very high | 10 Ų | 10 | 63.3 Ų | 63.3 | 6% | 0.061 | 32% | 0.324 | C | S | . | . | trans | -99.1 | 135.8 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | L41 L51 I55 I59 S73 L76 H80 C82 V83 | L41-V78 WeakPolarHBondContact CD1-O 3.3Å; L51-V78 HydrophobicContact CD1-CG2 4.24Å; L51-V78 HydrophobicContact CD2-CG1 4.02Å; L51-V78 HydrophobicContact CD2-CG2 4.03Å; I55-V78 HydrophobicContact CG2-CG2 3.73Å; I59-V78 HydrophobicContact CD1-CG1 4.22Å; I59-V78 HydrophobicContact CD1-CG2 4.47Å; S73-V78 CarbonylContact C-O 3.54Å; S73-V78 VanDerWaalsContact CA-O 3.25Å; S73-V78 WeakPolarHBondContact CA-O 3.36Å; S73-V78 WeakPolarHBondContact CB-O 3.36Å; S73-V78 PolarHBondContact O-N 2.76Å; S73-V78 VanDerWaalsContact O-O 3.04Å; S73-V78 PolarHBondContact OG-O 3.11Å; L76-V78 HydrophobicContact CB-CG2 4.06Å; L76-V78 WeakPolarHBondContact O-CG2 3.45Å; L76-V78 PolarHBondContact O-N 3.36Å; L76-V78 VanDerWaalsContact O-N 3.15Å; V78-H80 PolarHBondContact O-N 3.1Å; V78-C82 HydrophobicContact CG1-CB 3.74Å; V78-V83 HydrophobicContact CB-CG2 4.03Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å | ||
| 79 | S | 97.4 | Very high | 97 | Very high | 66 Ų | 66 | 58.7 Ų | 58.7 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | trans | -59 | 138.5 | -179.5 | 66 | 0 | 0 | 0 | 0 | 112.5 | G81 C82 V83 | S79-G81 VanDerWaalsContact C-N 3.25Å; S79-G81 PolarHBondContact O-N 3.35Å; S79-G81 VanDerWaalsContact O-N 3.15Å; S79-C82 WeakPolarHBondContact O-CA 3.26Å; S79-C82 VanDerWaalsContact O-CB 3.3Å; S79-C82 WeakPolarHBondContact O-CB 3.28Å; S79-C82 PolarHBondContact O-N 3.37Å; S79-V83 PolarHBondContact O-N 3.38Å; S79-V83 VanDerWaalsContact O-N 3.13Å | ||
| 80 | H | 97.6 | Very high | 97 | Very high | 101 Ų | 101 | 60.5 Ų | 60.5 | 47% | 0.468 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.2 | -38 | -173.5 | -176.1 | -107.5 | 0 | 0 | 0 | 113.4 | S73 V78 C82 V83 S84 | S73-H80 WeakPolarHBondContact OG-CA 3.22Å; S73-H80 PolarHBondContact OG-N 3.05Å; S73-H80 VanDerWaalsContact OG-N 3.16Å; V78-H80 PolarHBondContact O-N 3.1Å; H80-C82 VanDerWaalsContact C-N 3.27Å; H80-C82 PolarHBondContact O-N 2.96Å; H80-V83 PolarHBondContact O-N 3.15Å; H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 3.03Å |
| 81 | G | 97.1 | Very high | 96.9 | Very high | 51 Ų | 51 | 66.3 Ų | 66.3 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.7 | -17.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S79 K85 | S79-G81 VanDerWaalsContact C-N 3.25Å; S79-G81 PolarHBondContact O-N 3.35Å; S79-G81 VanDerWaalsContact O-N 3.15Å; G81-K85 VanDerWaalsContact O-CB 3.3Å; G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 3.22Å |
| 82 | C | 96.8 | Very high | 96.4 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -82.5 | -46.2 | 169.9 | -169.7 | 0 | 0 | 0 | 0 | 110.7 | V78 S79 H80 S84 K85 I86 | V78-C82 HydrophobicContact CG1-CB 3.74Å; S79-C82 WeakPolarHBondContact O-CA 3.26Å; S79-C82 VanDerWaalsContact O-CB 3.3Å; S79-C82 WeakPolarHBondContact O-CB 3.28Å; S79-C82 PolarHBondContact O-N 3.37Å; H80-C82 VanDerWaalsContact C-N 3.27Å; H80-C82 PolarHBondContact O-N 2.96Å; C82-S84 PolarHBondContact O-N 3.49Å; C82-K85 PolarHBondContact O-N 2.93Å; C82-I86 WeakPolarHBondContact O-CG1 3.29Å; C82-I86 PolarHBondContact O-N 3.24Å |
| 83 | V | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.3 | -53.8 | 173.8 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | I59 P69 I72 V78 S79 H80 K85 I86 L87 | I59-V83 HydrophobicContact CD1-CG2 4.24Å; I59-V83 HydrophobicContact CG1-CG2 4.46Å; I59-V83 HydrophobicContact CG2-CG1 4.03Å; P69-V83 HydrophobicContact CB-CG1 4.14Å; I72-V83 HydrophobicContact CB-CG1 4.19Å; I72-V83 HydrophobicContact CG2-CG1 4Å; I72-V83 HydrophobicContact CG2-CG2 4.42Å; V78-V83 HydrophobicContact CB-CG2 4.03Å; V78-V83 HydrophobicContact CG1-CG2 3.83Å; S79-V83 PolarHBondContact O-N 3.38Å; S79-V83 VanDerWaalsContact O-N 3.13Å; H80-V83 PolarHBondContact O-N 3.15Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.34Å; V83-I86 PolarHBondContact O-N 3.07Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CG 3.41Å; V83-L87 PolarHBondContact O-N 2.94Å |
| 84 | S | 97.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 75.6 Ų | 75.6 | 36% | 0.357 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 177.1 | 167.3 | 0 | 0 | 0 | 0 | 112.5 | H80 C82 I86 L87 C88 | H80-S84 WeakPolarHBondContact O-CB 3.46Å; H80-S84 PolarHBondContact O-N 3.03Å; C82-S84 PolarHBondContact O-N 3.49Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 2.85Å; S84-L87 PolarHBondContact O-N 2.64Å; S84-C88 WeakPolarHBondContact O-CB 3.38Å; S84-C88 PolarHBondContact O-N 2.83Å; S84-C88 PolarHBondContact O-SG 3.3Å |
| 85 | K | 96.8 | Very high | 95.5 | Very high | 155 Ų | 155 | 70.3 Ų | 70.3 | 67% | 0.674 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.9 | -35.6 | 179 | -172.8 | -172.5 | -59.4 | 178 | 0 | 112.9 | G81 C82 V83 R89 | G81-K85 VanDerWaalsContact O-CB 3.3Å; G81-K85 WeakPolarHBondContact O-CB 3.25Å; G81-K85 PolarHBondContact O-N 3.22Å; C82-K85 PolarHBondContact O-N 2.93Å; V83-K85 VanDerWaalsContact C-N 3.34Å; V83-K85 PolarHBondContact O-N 3.34Å; K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 3.09Å |
| 86 | I | 96.9 | Very high | 95.3 | Very high | 6 Ų | 6 | 65.5 Ų | 65.5 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.2 | -48 | 176.7 | -70.1 | 163.6 | 0 | 0 | 0 | 110 | L51 R56 I59 V60 C82 V83 S84 R89 Y90 | L51-I86 HydrophobicContact CD2-CD1 3.8Å; R56-I86 HydrophobicContact CG-CD1 4.09Å; I59-I86 HydrophobicContact CB-CG2 4.41Å; I59-I86 HydrophobicContact CD1-CD1 3.6Å; I59-I86 HydrophobicContact CG2-CB 4.2Å; I59-I86 HydrophobicContact CG2-CG2 3.83Å; V60-I86 HydrophobicContact CG2-CG2 4.27Å; C82-I86 WeakPolarHBondContact O-CG1 3.29Å; C82-I86 PolarHBondContact O-N 3.24Å; V83-I86 PolarHBondContact O-N 3.07Å; S84-I86 VanDerWaalsContact C-N 3.34Å; S84-I86 PolarHBondContact O-N 2.85Å; I86-R89 PolarHBondContact O-N 3.31Å; I86-Y90 WeakPolarHBondContact O-CB 3.47Å; I86-Y90 PolarHBondContact O-N 2.89Å |
| 87 | L | 97.1 | Very high | 95 | Very high | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.6 | -65.6 | 177.2 | 0 | 0 | 0 | 112.6 | I59 V60 A63 P69 V83 S84 Y90 Q91 | I59-L87 HydrophobicContact CG2-CD2 3.8Å; I59-L87 HydrophobicContact CG2-CG 3.91Å; V60-L87 HydrophobicContact CG2-CD2 4.15Å; A63-L87 HydrophobicContact CB-CD1 4.02Å; A63-L87 HydrophobicContact CB-CD2 3.49Å; A63-L87 VanDerWaalsContact CB-CD2 3.49Å; A63-L87 HydrophobicContact CB-CG 4.43Å; P69-L87 HydrophobicContact CB-CD1 4.24Å; P69-L87 HydrophobicContact CG-CD1 3.89Å; V83-L87 HydrophobicContact CG1-CD1 3.94Å; V83-L87 HydrophobicContact CG1-CG 4.46Å; V83-L87 WeakPolarHBondContact O-CG 3.41Å; V83-L87 PolarHBondContact O-N 2.94Å; S84-L87 PolarHBondContact O-N 2.64Å; L87-Y90 PolarHBondContact O-N 3.46Å; L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.23Å |
| 88 | C | 95.9 | Very high | 94.7 | Very high | 56 Ų | 56 | 68 Ų | 68 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 175.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | S84 Y90 Q91 E92 | S84-C88 WeakPolarHBondContact O-CB 3.38Å; S84-C88 PolarHBondContact O-N 2.83Å; S84-C88 PolarHBondContact O-SG 3.3Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 2.9Å; C88-Q91 PolarHBondContact O-N 3.38Å; C88-E92 WeakPolarHBondContact O-CB 3.42Å; C88-E92 WeakPolarHBondContact O-CG 3.44Å; C88-E92 PolarHBondContact O-N 3.05Å |
| 89 | R | 94.6 | Very high | 94.2 | Very high | 84 Ų | 84 | 69.3 Ų | 69.3 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 175.7 | 176.9 | 176.7 | 172.1 | 81 | -4 | 111.9 | K85 I86 E92 T93 R97 | K85-R89 WeakPolarHBondContact O-CB 3.48Å; K85-R89 PolarHBondContact O-N 3.09Å; I86-R89 PolarHBondContact O-N 3.31Å; R89-E92 PolarHBondContact O-N 3.46Å; R89-T93 PolarHBondContact O-N 2.98Å; R89-R97 PolarHBondContact NE-O 3.49Å; R89-R97 PolarHBondContact NH2-O 3.28Å |
| 90 | Y | 95.9 | Very high | 93.5 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 37% | 0.365 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.9 | -176.7 | -104.1 | 0 | 0 | 0 | 111.5 | V60 I86 L87 C88 E92 G94 I96 | V60-Y90 HydrophobicContact CG1-CD1 3.65Å; V60-Y90 HydrophobicContact CG1-CD2 4.09Å; V60-Y90 HydrophobicContact CG1-CE1 3.4Å; V60-Y90 VanDerWaalsContact CG1-CE1 3.4Å; V60-Y90 HydrophobicContact CG1-CE2 3.88Å; V60-Y90 HydrophobicContact CG1-CG 3.99Å; V60-Y90 HydrophobicContact CG2-CD1 4.12Å; V60-Y90 HydrophobicContact CG2-CD2 4.09Å; V60-Y90 HydrophobicContact CG2-CG 3.8Å; I86-Y90 WeakPolarHBondContact O-CB 3.47Å; I86-Y90 PolarHBondContact O-N 2.89Å; L87-Y90 PolarHBondContact O-N 3.46Å; C88-Y90 VanDerWaalsContact C-N 3.31Å; C88-Y90 PolarHBondContact O-N 2.9Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.39Å; Y90-G94 WeakPolarHBondContact CD2-O 3.14Å; Y90-G94 WeakPolarHBondContact CE2-O 3.36Å; Y90-G94 VanDerWaalsContact O-CA 3.24Å; Y90-G94 WeakPolarHBondContact O-CA 3.46Å; Y90-G94 PolarHBondContact O-N 3.11Å; Y90-I96 HydrophobicContact CD2-CG2 3.64Å; Y90-I96 HydrophobicContact CE2-CG2 3.87Å |
| 91 | Q | 93.4 | Very high | 92.5 | Very high | 161 Ų | 161 | 72.1 Ų | 72.1 | 75% | 0.752 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.8 | -30.8 | 172.5 | -69.1 | 171.9 | 6.5 | 0 | 0 | 113.4 | L87 C88 | L87-Q91 WeakPolarHBondContact O-CG 3.48Å; L87-Q91 PolarHBondContact O-N 3.23Å; C88-Q91 PolarHBondContact O-N 3.38Å |
| 92 | E | 88.5 | Confident | 91.1 | Very high | 123 Ų | 123 | 73 Ų | 73 | 58% | 0.575 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -79.4 | -31.3 | 178.5 | -76.5 | 177.1 | 165.5 | 0 | 0 | 113.7 | C88 R89 Y90 | C88-E92 WeakPolarHBondContact O-CB 3.42Å; C88-E92 WeakPolarHBondContact O-CG 3.44Å; C88-E92 PolarHBondContact O-N 3.05Å; R89-E92 PolarHBondContact O-N 3.46Å; Y90-E92 VanDerWaalsContact C-N 3.34Å; Y90-E92 PolarHBondContact O-N 3.39Å |
| 93 | T | 91.2 | Very high | 89.8 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -141.8 | 5.9 | -168.6 | 94.1 | 0 | 0 | 0 | 0 | 115.9 | R89 S95 | R89-T93 PolarHBondContact O-N 2.98Å; T93-S95 PolarHBondContact O-N 3.04Å; T93-S95 WeakPolarHBondContact OG1-CB 3.39Å; T93-S95 PolarHBondContact OG1-N 3.28Å |
| 94 | G | 91.6 | Very high | 88.5 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 55% | 0.546 | 48% | 0.483 | S | S | . | . | S | Bend | trans | 62.1 | -3.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y90 | Y90-G94 WeakPolarHBondContact CD2-O 3.14Å; Y90-G94 WeakPolarHBondContact CE2-O 3.36Å; Y90-G94 VanDerWaalsContact O-CA 3.24Å; Y90-G94 WeakPolarHBondContact O-CA 3.46Å; Y90-G94 PolarHBondContact O-N 3.11Å |
| 95 | S | 90.9 | Very high | 86.9 | Confident | 40 Ų | 40 | 87 Ų | 87 | 28% | 0.28 | 51% | 0.505 | S | S | . | . | trans | -105.6 | 115.1 | -163.8 | -165.8 | 0 | 0 | 0 | 0 | 112.6 | T93 R97 | T93-S95 PolarHBondContact O-N 3.04Å; T93-S95 WeakPolarHBondContact OG1-CB 3.39Å; T93-S95 PolarHBondContact OG1-N 3.28Å; S95-R97 PolarHBondContact O-N 2.7Å; S95-R97 PolarHBondContact OG-N 2.72Å | ||
| 96 | I | 92.1 | Very high | 85.1 | Confident | 24 Ų | 24 | 85.3 Ų | 85.3 | 12% | 0.123 | 51% | 0.51 | C | S | . | . | trans | -70.1 | -14.1 | 171.1 | 61.4 | 84.6 | 0 | 0 | 0 | 112.7 | N53 R56 H57 V60 Y90 | N53-I96 WeakPolarHBondContact OD1-CD1 3.48Å; R56-I96 PolarHBondContact NE-O 3.05Å; R56-I96 PolarHBondContact NH2-O 3.48Å; H57-I96 WeakPolarHBondContact NE2-CD1 3.36Å; V60-I96 HydrophobicContact CB-CG2 4.42Å; V60-I96 HydrophobicContact CG2-CG2 3.96Å; Y90-I96 HydrophobicContact CD2-CG2 3.64Å; Y90-I96 HydrophobicContact CE2-CG2 3.87Å | ||
| 97 | R | 91.3 | Very high | 83.2 | Confident | 176 Ų | 176 | 94.2 Ų | 94.2 | 66% | 0.664 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -67.8 | 140.3 | -178.7 | -62.2 | -179.9 | 80.8 | -132.4 | 9.4 | 111.1 | R56 R89 S95 | R56-R97 PolarHBondContact NH2-O 2.95Å; R89-R97 PolarHBondContact NE-O 3.49Å; R89-R97 PolarHBondContact NH2-O 3.28Å; S95-R97 PolarHBondContact O-N 2.7Å; S95-R97 PolarHBondContact OG-N 2.72Å |
| 98 | P | 90.6 | Very high | 81.3 | Confident | 51 Ų | 51 | 102.7 Ų | 102.7 | 33% | 0.331 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 157.8 | 169.6 | 28.6 | -34.4 | 0 | 0 | 0 | 110.4 | P50 | P50-P98 HydrophobicContact CB-CB 3.74Å; P50-P98 HydrophobicContact CB-CG 4.03Å; P50-P98 HydrophobicContact CG-CB 4.33Å; P50-P98 HydrophobicContact CG-CG 4.19Å |
| 99 | G | 86.4 | Confident | 79.5 | Confident | 38 Ų | 38 | 101.7 Ų | 101.7 | 39% | 0.392 | 59% | 0.587 | S | S | . | * | P | Polyproline II helix | trans | -69.1 | 163 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I101 | G99-I101 PolarHBondContact O-N 3.16Š|
| 100 | A | 82.9 | Confident | 78 | Confident | 108 Ų | 108 | 99.2 Ų | 99.2 | 89% | 0.893 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 137.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 101 | I | 77.8 | Confident | 77.1 | Confident | 118 Ų | 118 | 97.6 Ų | 97.6 | 61% | 0.605 | 58% | 0.582 | S | S | * | * | trans | -125 | 122.5 | 179.8 | -65.2 | 165.9 | 0 | 0 | 0 | 106.9 | P50 G99 | P50-I101 HydrophobicContact CB-CD1 4.24Å; P50-I101 HydrophobicContact CG-CD1 4.2Å; G99-I101 PolarHBondContact O-N 3.16Å | ||
| 102 | G | 67.4 | Low | 76.6 | Confident | 71 Ų | 71 | 94.9 Ų | 94.9 | 73% | 0.732 | 58% | 0.578 | S | S | * | * | trans | 89.7 | -177 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 103 | G | 69.9 | Low | 76.4 | Confident | 81 Ų | 81 | 92.5 Ų | 92.5 | 84% | 0.835 | 57% | 0.569 | S | S | * | * | trans | 85 | 123 | -163.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 104 | S | 69.1 | Low | 76.3 | Confident | 108 Ų | 108 | 89 Ų | 89 | 76% | 0.755 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 150.1 | 156.6 | 52.7 | 0 | 0 | 0 | 0 | 108.6 | ||
| 105 | K | 63.5 | Low | 76.3 | Confident | 189 Ų | 189 | 90 Ų | 90 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 143.3 | 154.7 | -66.2 | -173.9 | 178.3 | -174.2 | 0 | 107.9 | K107 | K105-K107 PolarHBondContact O-N 3.15Š|
| 106 | P | 60.1 | Low | 76.2 | Confident | 120 Ų | 120 | 94.3 Ų | 94.3 | 78% | 0.779 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 131.4 | 173.7 | 21.6 | -32.3 | 0 | 0 | 0 | 108.7 | Q108 | P106-Q108 PolarHBondContact O-N 3.18Š|
| 107 | K | 57.2 | Low | 76.2 | Confident | 193 Ų | 193 | 95.4 Ų | 95.4 | 84% | 0.839 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 132 | -179 | -83.6 | -169.2 | 174.9 | -174 | 0 | 108.1 | K105 G109 | K105-K107 PolarHBondContact O-N 3.15Å; K107-G109 PolarHBondContact O-N 3.02Å |
| 108 | Q | 57.3 | Low | 76.2 | Confident | 193 Ų | 193 | 87 Ų | 87 | 90% | 0.902 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -79.4 | 53.4 | -173 | -157.8 | 156.8 | -11.7 | 0 | 0 | 111.4 | P106 | P106-Q108 PolarHBondContact O-N 3.18Š|
| 109 | G | 57.4 | Low | 76.2 | Confident | 35 Ų | 35 | 86.4 Ų | 86.4 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -126.8 | 18.6 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | K107 | K107-G109 PolarHBondContact O-N 3.02Š|
| 110 | T | 63.6 | Low | 76.5 | Confident | 33 Ų | 33 | 87.6 Ų | 87.6 | 20% | 0.202 | 51% | 0.507 | C | S | . | . | S | Bend | trans | -146.3 | 118.3 | 156.1 | -45.2 | 0 | 0 | 0 | 0 | 104.8 | V114 E115 P149 I157 | T110-V114 HydrophobicContact CG2-CB 3.87Å; T110-V114 HydrophobicContact CG2-CG1 3.66Å; T110-E115 HydrophobicContact CG2-CG 3.59Å; T110-P149 HydrophobicContact CG2-CB 4.49Å; T110-P149 HydrophobicContact CG2-CG 4.34Å; T110-I157 HydrophobicContact CG2-CD1 3.99Å |
| 111 | T | 76.8 | Confident | 76.9 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 36% | 0.362 | 47% | 0.465 | S | S | . | . | trans | -76.2 | 152.9 | 173 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | D113 V114 E115 | T111-D113 PolarHBondContact O-N 3.04Å; T111-V114 PolarHBondContact O-N 3.43Å; T111-V114 VanDerWaalsContact OG1-CG2 3.29Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.32Å; T111-V114 PolarHBondContact OG1-N 3.16Å; T111-E115 PolarHBondContact O-N 2.88Å; T111-E115 VanDerWaalsContact O-N 3.1Å | ||
| 112 | P | 82.6 | Confident | 77.6 | Confident | 103 Ų | 103 | 78.8 Ų | 78.8 | 67% | 0.669 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -60 | -20 | 176.4 | 25.1 | -35 | 0 | 0 | 0 | 112.5 | R116 | P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 2.99Å |
| 113 | D | 85.4 | Confident | 78.7 | Confident | 74 Ų | 74 | 83 Ų | 83 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 171.8 | -142.9 | 78.9 | 0 | 0 | 0 | 112.6 | T111 R116 R117 | T111-D113 PolarHBondContact O-N 3.04Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 IonicContact OD1-CZ 3.98Å; D113-R116 VanDerWaalsContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NH1 2.6Å; D113-R116 PolarHBondContact OD1-NH1 2.82Å; D113-R116 IonicContact OD1-NH2 2.61Å; D113-R116 PolarHBondContact OD1-NH2 2.82Å; D113-R116 IonicContact OD2-CZ 3.66Å; D113-R116 IonicContact OD2-NH1 3.66Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.71Å; D113-R117 PolarHBondContact O-N 2.83Å |
| 114 | V | 89.4 | Confident | 79.7 | Confident | 2 Ų | 2 | 83.4 Ų | 83.4 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 176.9 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | T110 T111 R117 I118 L137 I142 C143 P149 | T110-V114 HydrophobicContact CG2-CB 3.87Å; T110-V114 HydrophobicContact CG2-CG1 3.66Å; T111-V114 PolarHBondContact O-N 3.43Å; T111-V114 VanDerWaalsContact OG1-CG2 3.29Å; T111-V114 WeakPolarHBondContact OG1-CG2 3.32Å; T111-V114 PolarHBondContact OG1-N 3.16Å; V114-R117 PolarHBondContact O-N 3.43Å; V114-I118 HydrophobicContact CG1-CD1 4Å; V114-I118 WeakPolarHBondContact O-CD1 3.34Å; V114-I118 VanDerWaalsContact O-CG1 3.24Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 3.48Å; V114-L137 HydrophobicContact CG1-CD1 3.82Å; V114-L137 HydrophobicContact CG1-CD2 4.2Å; V114-I142 HydrophobicContact CG2-CG2 4.13Å; V114-C143 WeakPolarHBondContact CG2-SG 3.39Å; V114-P149 HydrophobicContact CG1-CG 3.86Å |
| 115 | E | 89.8 | Confident | 80.7 | Confident | 75 Ų | 75 | 81.9 Ų | 81.9 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 172 | -62.1 | -171.7 | 149.4 | 0 | 0 | 111 | T110 T111 R117 I118 E119 I157 | T110-E115 HydrophobicContact CG2-CG 3.59Å; T111-E115 PolarHBondContact O-N 2.88Å; T111-E115 VanDerWaalsContact O-N 3.1Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 2.87Å; E115-I118 WeakPolarHBondContact O-CB 3.24Å; E115-I118 PolarHBondContact O-N 3.28Å; E115-E119 WeakPolarHBondContact O-CG 3.25Å; E115-E119 PolarHBondContact O-N 2.79Å; E115-I157 HydrophobicContact CG-CD1 4.17Å |
| 116 | R | 89.8 | Confident | 81.8 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.2 | -41 | 175.7 | -171.4 | -173.4 | 69.9 | -110.9 | -7.2 | 112.5 | P112 D113 E119 E120 | P112-R116 WeakPolarHBondContact O-CB 3.44Å; P112-R116 PolarHBondContact O-N 2.99Å; D113-R116 PolarHBondContact O-N 3.28Å; D113-R116 IonicContact OD1-CZ 3.98Å; D113-R116 VanDerWaalsContact OD1-CZ 3.25Å; D113-R116 IonicContact OD1-NH1 2.6Å; D113-R116 PolarHBondContact OD1-NH1 2.82Å; D113-R116 IonicContact OD1-NH2 2.61Å; D113-R116 PolarHBondContact OD1-NH2 2.82Å; D113-R116 IonicContact OD2-CZ 3.66Å; D113-R116 IonicContact OD2-NH1 3.66Å; D113-R116 IonicContact OD2-NH2 2.63Å; D113-R116 PolarHBondContact OD2-NH2 2.71Å; R116-E119 PolarHBondContact O-N 3.04Å; R116-E120 WeakPolarHBondContact O-CB 3.46Å; R116-E120 PolarHBondContact O-N 3.34Å |
| 117 | R | 91.4 | Very high | 83.2 | Confident | 47 Ų | 47 | 74.8 Ų | 74.8 | 18% | 0.177 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -72.1 | -33.6 | 178.5 | -166.2 | 67.4 | 165.9 | 158.9 | 2.3 | 112.9 | D113 V114 E115 E119 E120 Y121 L137 D140 I142 | D113-R117 PolarHBondContact O-N 2.83Å; V114-R117 PolarHBondContact O-N 3.43Å; E115-R117 VanDerWaalsContact C-N 3.33Å; E115-R117 PolarHBondContact O-N 2.87Å; R117-E119 VanDerWaalsContact C-N 3.33Å; R117-E120 WeakPolarHBondContact CD-OE2 3.42Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.15Å; R117-E120 IonicContact NH1-OE1 2.94Å; R117-E120 IonicContact NH1-OE2 2.63Å; R117-E120 PolarHBondContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact O-N 2.89Å; R117-Y121 HydrophobicContact CG-CD1 4.35Å; R117-Y121 HydrophobicContact CG-CD2 4.41Å; R117-Y121 HydrophobicContact CG-CE1 3.78Å; R117-Y121 HydrophobicContact CG-CE2 3.82Å; R117-Y121 VanDerWaalsContact CG-CZ 3.45Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 3.41Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.17Å; R117-L137 HydrophobicContact CB-CD2 3.97Å; R117-L137 HydrophobicContact CG-CD2 3.86Å; R117-D140 IonicContact CZ-OD2 3.71Å; R117-D140 IonicContact NE-OD2 2.67Å; R117-D140 IonicContact NH2-OD2 2.73Å; R117-D140 PolarHBondContact NH2-OD2 3.32Å; R117-I142 HydrophobicContact CB-CG2 4.36Å; R117-I142 HydrophobicContact CG-CD1 3.62Å; R117-I142 HydrophobicContact CG-CG2 4.39Å; R117-I142 VanDerWaalsContact NE-CD1 3.26Å |
| 118 | I | 91.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 171 | -71.5 | 162.6 | 0 | 0 | 0 | 110.5 | V114 E115 K122 I133 L137 P149 I154 I157 M158 | V114-I118 HydrophobicContact CG1-CD1 4Å; V114-I118 WeakPolarHBondContact O-CD1 3.34Å; V114-I118 VanDerWaalsContact O-CG1 3.24Å; V114-I118 WeakPolarHBondContact O-CG1 3.41Å; V114-I118 PolarHBondContact O-N 3.48Å; E115-I118 WeakPolarHBondContact O-CB 3.24Å; E115-I118 PolarHBondContact O-N 3.28Å; I118-K122 WeakPolarHBondContact O-CB 3.45Å; I118-K122 PolarHBondContact O-N 2.93Å; I118-K122 VanDerWaalsContact O-N 3.15Å; I118-I133 HydrophobicContact CB-CG2 4.31Å; I118-I133 HydrophobicContact CG1-CG2 3.81Å; I118-I133 HydrophobicContact CG2-CG2 4.2Å; I118-L137 HydrophobicContact CD1-CD1 4.17Å; I118-L137 HydrophobicContact CG1-CD1 3.88Å; I118-P149 HydrophobicContact CD1-CG 4.14Å; I118-I154 HydrophobicContact CD1-CG1 4.01Å; I118-I154 HydrophobicContact CD1-CG2 4.5Å; I118-I154 HydrophobicContact CG2-CG2 4.14Å; I118-I157 HydrophobicContact CB-CG2 4.42Å; I118-I157 HydrophobicContact CD1-CD1 3.75Å; I118-I157 HydrophobicContact CG2-CB 4.45Å; I118-I157 HydrophobicContact CG2-CG2 3.9Å; I118-M158 HydrophobicContact CG2-CG 4.06Å |
| 119 | E | 90.9 | Very high | 86.5 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.7 | -70.3 | 164 | -144.3 | 0 | 0 | 112 | E115 R116 R117 K122 R123 K161 F162 | E115-E119 WeakPolarHBondContact O-CG 3.25Å; E115-E119 PolarHBondContact O-N 2.79Å; R116-E119 PolarHBondContact O-N 3.04Å; R117-E119 VanDerWaalsContact C-N 3.33Å; E119-K122 PolarHBondContact O-N 2.87Å; E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 PolarHBondContact O-N 2.97Å; E119-K161 HydrophobicContact CG-CB 4.31Å; E119-K161 HydrophobicContact CG-CG 4.22Å; E119-K161 IonicContact OE1-NZ 2.72Å; E119-K161 PolarHBondContact OE1-NZ 3.35Å; E119-K161 IonicContact OE2-NZ 3.37Å; E119-K161 PolarHBondContact OE2-NZ 2.99Å; E119-F162 HydrophobicContact CB-CE2 4.21Å; E119-F162 HydrophobicContact CB-CZ 4.11Å; E119-F162 HydrophobicContact CG-CE2 3.99Å; E119-F162 HydrophobicContact CG-CZ 4.31Å; E119-F162 WeakPolarHBondContact O-CZ 3.08Å |
| 120 | E | 92.3 | Very high | 88.1 | Confident | 63 Ų | 63 | 63 Ų | 63 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 177.5 | -169 | 171.3 | -147.4 | 0 | 0 | 112.1 | R116 R117 K122 R123 E124 | R116-E120 WeakPolarHBondContact O-CB 3.46Å; R116-E120 PolarHBondContact O-N 3.34Å; R117-E120 WeakPolarHBondContact CD-OE2 3.42Å; R117-E120 IonicContact CZ-OE2 2.75Å; R117-E120 IonicContact NE-OE2 3.15Å; R117-E120 IonicContact NH1-OE1 2.94Å; R117-E120 IonicContact NH1-OE2 2.63Å; R117-E120 PolarHBondContact NH1-OE2 2.79Å; R117-E120 PolarHBondContact O-N 2.89Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 3.33Å; E120-R123 PolarHBondContact O-N 2.82Å; E120-E124 WeakPolarHBondContact O-CG 3.18Å; E120-E124 PolarHBondContact O-N 2.95Å |
| 121 | Y | 92.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.7 | -38.8 | 176.6 | -66.2 | -18.8 | 0 | 0 | 0 | 113.3 | R117 N125 I133 K136 L137 D140 | R117-Y121 HydrophobicContact CG-CD1 4.35Å; R117-Y121 HydrophobicContact CG-CD2 4.41Å; R117-Y121 HydrophobicContact CG-CE1 3.78Å; R117-Y121 HydrophobicContact CG-CE2 3.82Å; R117-Y121 VanDerWaalsContact CG-CZ 3.45Å; R117-Y121 VanDerWaalsContact NE-CZ 3.31Å; R117-Y121 PolarHBondContact NE-OH 3.41Å; R117-Y121 VanDerWaalsContact O-CG 3.28Å; R117-Y121 PolarHBondContact O-N 3.17Å; Y121-N125 PolarHBondContact O-N 3.48Å; Y121-I133 HydrophobicContact CD2-CG2 4.19Å; Y121-K136 HydrophobicContact CD1-CD 3.61Å; Y121-K136 HydrophobicContact CD1-CG 4.42Å; Y121-K136 HydrophobicContact CD2-CB 4.06Å; Y121-K136 HydrophobicContact CD2-CD 3.94Å; Y121-K136 HydrophobicContact CD2-CG 4.21Å; Y121-K136 HydrophobicContact CE1-CD 3.47Å; Y121-K136 VanDerWaalsContact CE1-CD 3.47Å; Y121-K136 HydrophobicContact CE1-CG 3.87Å; Y121-K136 HydrophobicContact CE2-CB 3.64Å; Y121-K136 HydrophobicContact CE2-CD 3.87Å; Y121-K136 HydrophobicContact CE2-CG 3.69Å; Y121-K136 HydrophobicContact CG-CD 3.85Å; Y121-K136 PolarHBondContact OH-O 2.97Å; Y121-L137 HydrophobicContact CE2-CD2 3.89Å; Y121-L137 HydrophobicContact CE2-CG 3.96Å; Y121-D140 WeakPolarHBondContact OH-CB 3.48Å; Y121-D140 VanDerWaalsContact OH-CG 3.23Å; Y121-D140 PolarHBondContact OH-OD2 3.21Å |
| 122 | K | 90.4 | Very high | 90.5 | Very high | 41 Ų | 41 | 68.3 Ų | 68.3 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.9 | -28.2 | 179.3 | -169.9 | 51.7 | 164.6 | -174.2 | 0 | 112.5 | I118 E119 E120 N125 P126 M128 I133 M158 F162 | I118-K122 WeakPolarHBondContact O-CB 3.45Å; I118-K122 PolarHBondContact O-N 2.93Å; I118-K122 VanDerWaalsContact O-N 3.15Å; E119-K122 PolarHBondContact O-N 2.87Å; E120-K122 VanDerWaalsContact C-N 3.31Å; E120-K122 PolarHBondContact O-N 3.33Å; K122-N125 CarbonylContact O-C 3.55Å; K122-N125 VanDerWaalsContact O-C 3.27Å; K122-P126 VanDerWaalsContact CE-O 3.29Å; K122-P126 WeakPolarHBondContact CE-O 3.49Å; K122-P126 PolarHBondContact NZ-O 2.89Å; K122-P126 WeakPolarHBondContact O-CA 3.45Å; K122-M128 PolarHBondContact NZ-O 2.93Å; K122-I133 HydrophobicContact CB-CD1 4.33Å; K122-M158 HydrophobicContact CD-CE 3.73Å; K122-M158 VanDerWaalsContact CE-CE 3.45Å; K122-M158 HydrophobicContact CG-CE 4.17Å; K122-F162 HydrophobicContact CB-CE2 3.99Å; K122-F162 HydrophobicContact CB-CZ 3.99Å; K122-F162 HydrophobicContact CG-CD1 4.5Å; K122-F162 HydrophobicContact CG-CD2 4.15Å; K122-F162 HydrophobicContact CG-CE1 4.42Å; K122-F162 HydrophobicContact CG-CE2 4.09Å; K122-F162 HydrophobicContact CG-CG 4.37Å; K122-F162 HydrophobicContact CG-CZ 4.23Å |
| 123 | R | 91 | Very high | 91 | Very high | 159 Ų | 159 | 63.4 Ų | 63.4 | 60% | 0.6 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -75.8 | -41.4 | 171.8 | 177.5 | 172.2 | 57 | -131.4 | -6.7 | 112.5 | E119 E120 N125 | E119-R123 WeakPolarHBondContact O-CB 3.33Å; E119-R123 PolarHBondContact O-N 2.97Å; E120-R123 PolarHBondContact O-N 2.82Å; R123-N125 VanDerWaalsContact C-N 3.28Å; R123-N125 PolarHBondContact O-N 3.05Å |
| 124 | E | 91.5 | Very high | 91.4 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 172.2 | -71.6 | 170.8 | 170.8 | 0 | 0 | 111.5 | E120 K136 | E120-E124 WeakPolarHBondContact O-CG 3.18Å; E120-E124 PolarHBondContact O-N 2.95Å; E124-K136 IonicContact OE2-NZ 2.7Å; E124-K136 PolarHBondContact OE2-NZ 3.29Å |
| 125 | N | 89.3 | Confident | 91.6 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | trans | -138.4 | 87.6 | -174.9 | -69.7 | -94 | 0 | 0 | 0 | 110.6 | Y121 K122 R123 G127 M128 | Y121-N125 PolarHBondContact O-N 3.48Å; K122-N125 CarbonylContact O-C 3.55Å; K122-N125 VanDerWaalsContact O-C 3.27Å; R123-N125 VanDerWaalsContact C-N 3.28Å; R123-N125 PolarHBondContact O-N 3.05Å; N125-G127 PolarHBondContact O-N 2.94Å; N125-G127 VanDerWaalsContact O-N 3.09Å; N125-M128 HydrophobicContact CB-CB 3.88Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 VanDerWaalsContact O-CB 3.25Å; N125-M128 WeakPolarHBondContact O-CB 3.31Å; N125-M128 PolarHBondContact O-N 3.29Å | ||
| 126 | P | 87.5 | Confident | 91.8 | Very high | 99 Ų | 99 | 65.4 Ų | 65.4 | 64% | 0.643 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -23.8 | 178.9 | -29.1 | 37.4 | 0 | 0 | 0 | 114.6 | K122 | K122-P126 VanDerWaalsContact CE-O 3.29Å; K122-P126 WeakPolarHBondContact CE-O 3.49Å; K122-P126 PolarHBondContact NZ-O 2.89Å; K122-P126 WeakPolarHBondContact O-CA 3.45Å |
| 127 | G | 89 | Confident | 91.9 | Very high | 62 Ų | 62 | 59.3 Ų | 59.3 | 64% | 0.639 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | N125 F129 | N125-G127 PolarHBondContact O-N 2.94Å; N125-G127 VanDerWaalsContact O-N 3.09Å; G127-F129 PolarHBondContact O-N 3.42Å |
| 128 | M | 90.7 | Very high | 92 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 14% | 0.138 | 29% | 0.291 | C | S | . | . | trans | -65 | 131.9 | -164.7 | -165.5 | 179.7 | -79.9 | 0 | 0 | 113.2 | K122 N125 E132 I133 K136 | K122-M128 PolarHBondContact NZ-O 2.93Å; N125-M128 HydrophobicContact CB-CB 3.88Å; N125-M128 HydrophobicContact CB-CE 3.92Å; N125-M128 VanDerWaalsContact O-CB 3.25Å; N125-M128 WeakPolarHBondContact O-CB 3.31Å; N125-M128 PolarHBondContact O-N 3.29Å; M128-E132 WeakPolarHBondContact CA-OE2 3.01Å; M128-E132 HydrophobicContact CG-CB 3.57Å; M128-E132 WeakPolarHBondContact CG-OE2 3.43Å; M128-E132 HydrophobicContact SD-CB 4.22Å; M128-I133 HydrophobicContact CB-CG1 4.45Å; M128-I133 HydrophobicContact CG-CG1 3.85Å; M128-I133 HydrophobicContact SD-CG1 3.63Å; M128-K136 HydrophobicContact CE-CD 4.24Å; M128-K136 HydrophobicContact SD-CD 4.46Å | ||
| 129 | F | 92.6 | Very high | 92.1 | Very high | 127 Ų | 127 | 67.8 Ų | 67.8 | 56% | 0.557 | 33% | 0.329 | S | S | * | . | trans | -83.2 | 156.7 | -178.7 | -65.1 | -75 | 0 | 0 | 0 | 112.5 | G127 W131 E132 I133 | G127-F129 PolarHBondContact O-N 3.42Å; F129-W131 HydrophobicContact CB-CG 4.39Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 2.79Å; F129-E132 HydrophobicContact CB-CG 4.34Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.45Å; F129-E132 PolarHBondContact N-OE2 3.17Å; F129-E132 PolarHBondContact O-N 3.35Å; F129-E132 VanDerWaalsContact O-N 3.11Å; F129-I133 PolarHBondContact O-N 2.97Å | ||
| 130 | S | 92.8 | Very high | 92.2 | Very high | 17 Ų | 17 | 69 Ų | 69 | 12% | 0.119 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.6 | -14.4 | -179.2 | -47 | 0 | 0 | 0 | 0 | 115.1 | I154 S155 M158 | S130-I154 WeakPolarHBondContact O-CD1 3.3Å; S130-S155 VanDerWaalsContact CB-OG 3.25Å; S130-S155 WeakPolarHBondContact CB-OG 3.41Å; S130-S155 PolarHBondContact OG-OG 3.29Å; S130-M158 PolarHBondContact OG-SD 3.26Å |
| 131 | W | 93.9 | Very high | 92 | Very high | 138 Ų | 138 | 69.1 Ų | 69.1 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -89.7 | -39.8 | 173.5 | 65.3 | -92.7 | 0 | 0 | 0 | 111.5 | F129 I133 R134 D135 V151 | F129-W131 HydrophobicContact CB-CG 4.39Å; F129-W131 AromaticContact CG-NE1 3.84Å; F129-W131 PolarHBondContact O-N 2.79Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 3.3Å; W131-R134 WeakPolarHBondContact O-CA 3.18Å; W131-R134 VanDerWaalsContact O-CB 3.22Å; W131-R134 WeakPolarHBondContact O-CB 3.47Å; W131-R134 PolarHBondContact O-N 2.76Å; W131-D135 PolarHBondContact O-N 3.46Å; W131-V151 HydrophobicContact CB-CG1 4.49Å; W131-V151 HydrophobicContact CB-CG2 4.36Å |
| 132 | E | 95.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 71.6 Ų | 71.6 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 172.1 | -61.6 | 171.1 | 143 | 0 | 0 | 111 | M128 F129 R134 D135 K136 | M128-E132 WeakPolarHBondContact CA-OE2 3.01Å; M128-E132 HydrophobicContact CG-CB 3.57Å; M128-E132 WeakPolarHBondContact CG-OE2 3.43Å; M128-E132 HydrophobicContact SD-CB 4.22Å; F129-E132 HydrophobicContact CB-CG 4.34Å; F129-E132 WeakPolarHBondContact CD2-OE2 3.45Å; F129-E132 PolarHBondContact N-OE2 3.17Å; F129-E132 PolarHBondContact O-N 3.35Å; F129-E132 VanDerWaalsContact O-N 3.11Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.75Å; E132-D135 PolarHBondContact O-N 3.23Å; E132-K136 WeakPolarHBondContact O-CB 3.38Å; E132-K136 PolarHBondContact O-N 3.46Å |
| 133 | I | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -41.8 | 171.7 | -73.1 | 169.6 | 0 | 0 | 0 | 110.9 | I118 Y121 K122 M128 F129 W131 L137 I154 M158 | I118-I133 HydrophobicContact CB-CG2 4.31Å; I118-I133 HydrophobicContact CG1-CG2 3.81Å; I118-I133 HydrophobicContact CG2-CG2 4.2Å; Y121-I133 HydrophobicContact CD2-CG2 4.19Å; K122-I133 HydrophobicContact CB-CD1 4.33Å; M128-I133 HydrophobicContact CB-CG1 4.45Å; M128-I133 HydrophobicContact CG-CG1 3.85Å; M128-I133 HydrophobicContact SD-CG1 3.63Å; F129-I133 PolarHBondContact O-N 2.97Å; W131-I133 VanDerWaalsContact C-N 3.33Å; W131-I133 PolarHBondContact O-N 3.3Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.06Å; I133-I154 HydrophobicContact CB-CG2 4.09Å; I133-I154 HydrophobicContact CD1-CG2 4.44Å; I133-I154 HydrophobicContact CG2-CD1 4.4Å; I133-I154 HydrophobicContact CG2-CG2 3.55Å; I133-M158 HydrophobicContact CD1-CE 3.66Å; I133-M158 HydrophobicContact CD1-CG 4.4Å; I133-M158 HydrophobicContact CD1-SD 3.65Å |
| 134 | R | 93.6 | Very high | 91.6 | Very high | 74 Ų | 74 | 68 Ų | 68 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 178 | -169 | -166.1 | 178.3 | -152.4 | -1 | 111.6 | W131 E132 L137 L138 V148 I154 | W131-R134 WeakPolarHBondContact O-CA 3.18Å; W131-R134 VanDerWaalsContact O-CB 3.22Å; W131-R134 WeakPolarHBondContact O-CB 3.47Å; W131-R134 PolarHBondContact O-N 2.76Å; E132-R134 VanDerWaalsContact C-N 3.28Å; E132-R134 PolarHBondContact O-N 2.75Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.01Å; R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.09Å; R134-L138 VanDerWaalsContact O-N 3.15Å; R134-V148 HydrophobicContact CG-CG2 3.55Å; R134-I154 HydrophobicContact CB-CD1 3.57Å; R134-I154 HydrophobicContact CG-CD1 3.95Å |
| 135 | D | 93.9 | Very high | 91.4 | Very high | 72 Ų | 72 | 72.4 Ų | 72.4 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -76.4 | -29 | -177.1 | -64.9 | -23.7 | 0 | 0 | 0 | 111.4 | W131 E132 L138 K139 | W131-D135 PolarHBondContact O-N 3.46Å; E132-D135 PolarHBondContact O-N 3.23Å; D135-L138 PolarHBondContact O-N 2.91Å; D135-K139 VanDerWaalsContact O-CB 3.28Å; D135-K139 WeakPolarHBondContact O-CB 3.1Å; D135-K139 PolarHBondContact O-N 3.21Å |
| 136 | K | 93.5 | Very high | 91.2 | Very high | 48 Ų | 48 | 76.5 Ų | 76.5 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -70.5 | -33.2 | 168.5 | -160.8 | -178.7 | 172.9 | -173.1 | 0 | 112.6 | Y121 E124 M128 E132 L138 K139 D140 | Y121-K136 HydrophobicContact CD1-CD 3.61Å; Y121-K136 HydrophobicContact CD1-CG 4.42Å; Y121-K136 HydrophobicContact CD2-CB 4.06Å; Y121-K136 HydrophobicContact CD2-CD 3.94Å; Y121-K136 HydrophobicContact CD2-CG 4.21Å; Y121-K136 HydrophobicContact CE1-CD 3.47Å; Y121-K136 VanDerWaalsContact CE1-CD 3.47Å; Y121-K136 HydrophobicContact CE1-CG 3.87Å; Y121-K136 HydrophobicContact CE2-CB 3.64Å; Y121-K136 HydrophobicContact CE2-CD 3.87Å; Y121-K136 HydrophobicContact CE2-CG 3.69Å; Y121-K136 HydrophobicContact CG-CD 3.85Å; Y121-K136 PolarHBondContact OH-O 2.97Å; E124-K136 IonicContact OE2-NZ 2.7Å; E124-K136 PolarHBondContact OE2-NZ 3.29Å; M128-K136 HydrophobicContact CE-CD 4.24Å; M128-K136 HydrophobicContact SD-CD 4.46Å; E132-K136 WeakPolarHBondContact O-CB 3.38Å; E132-K136 PolarHBondContact O-N 3.46Å; K136-L138 VanDerWaalsContact C-N 3.33Å; K136-K139 PolarHBondContact O-N 3.47Å; K136-D140 WeakPolarHBondContact O-CB 3.31Å; K136-D140 PolarHBondContact O-N 3.3Å |
| 137 | L | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 170.2 | -77.3 | 174.2 | 0 | 0 | 0 | 112.2 | V114 R117 I118 Y121 I133 R134 I142 C143 V148 P149 I154 | V114-L137 HydrophobicContact CG1-CD1 3.82Å; V114-L137 HydrophobicContact CG1-CD2 4.2Å; R117-L137 HydrophobicContact CB-CD2 3.97Å; R117-L137 HydrophobicContact CG-CD2 3.86Å; I118-L137 HydrophobicContact CD1-CD1 4.17Å; I118-L137 HydrophobicContact CG1-CD1 3.88Å; Y121-L137 HydrophobicContact CE2-CD2 3.89Å; Y121-L137 HydrophobicContact CE2-CG 3.96Å; I133-L137 VanDerWaalsContact O-CG 3.3Å; I133-L137 WeakPolarHBondContact O-CG 3.31Å; I133-L137 PolarHBondContact O-N 3.06Å; R134-L137 WeakPolarHBondContact O-CB 3.45Å; R134-L137 PolarHBondContact O-N 3.01Å; L137-I142 HydrophobicContact CD2-CB 4.34Å; L137-I142 HydrophobicContact CD2-CG2 3.93Å; L137-I142 PolarHBondContact O-N 3.21Å; L137-I142 VanDerWaalsContact O-N 3.12Å; L137-C143 HydrophobicContact CB-CB 4.31Å; L137-C143 PolarHBondContact O-N 3.16Å; L137-V148 HydrophobicContact CB-CG2 4.37Å; L137-V148 HydrophobicContact CD1-CG2 4.49Å; L137-P149 HydrophobicContact CD1-CG 4.07Å; L137-I154 HydrophobicContact CD1-CD1 4.5Å |
| 138 | L | 93.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 72.4 Ų | 72.4 | 23% | 0.23 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.5 | -45 | 174.3 | -68.5 | 172 | 0 | 0 | 0 | 111.6 | R134 D135 K136 G141 C143 V148 | R134-L138 WeakPolarHBondContact O-CG 3.5Å; R134-L138 PolarHBondContact O-N 3.09Å; R134-L138 VanDerWaalsContact O-N 3.15Å; D135-L138 PolarHBondContact O-N 2.91Å; K136-L138 VanDerWaalsContact C-N 3.33Å; L138-G141 PolarHBondContact O-N 3.35Å; L138-C143 WeakPolarHBondContact CD2-O 3.39Å; L138-V148 HydrophobicContact CD2-CB 3.89Å; L138-V148 HydrophobicContact CD2-CG1 4.01Å; L138-V148 HydrophobicContact CD2-CG2 4.15Å; L138-V148 HydrophobicContact CG-CB 4.41Å; L138-V148 HydrophobicContact CG-CG2 4.14Å |
| 139 | K | 93.7 | Very high | 91.1 | Very high | 182 Ų | 182 | 71.4 Ų | 71.4 | 79% | 0.791 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.6 | -40.5 | -177.4 | -177.1 | 179.1 | 174.5 | -178.4 | 0 | 112.9 | D135 K136 G141 | D135-K139 VanDerWaalsContact O-CB 3.28Å; D135-K139 WeakPolarHBondContact O-CB 3.1Å; D135-K139 PolarHBondContact O-N 3.21Å; K136-K139 PolarHBondContact O-N 3.47Å; K139-G141 PolarHBondContact O-N 3.13Å |
| 140 | D | 91.6 | Very high | 91 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 34% | 0.342 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 3.1 | -179.9 | -68.5 | 25.6 | 0 | 0 | 0 | 112.3 | R117 Y121 K136 I142 | R117-D140 IonicContact CZ-OD2 3.71Å; R117-D140 IonicContact NE-OD2 2.67Å; R117-D140 IonicContact NH2-OD2 2.73Å; R117-D140 PolarHBondContact NH2-OD2 3.32Å; Y121-D140 WeakPolarHBondContact OH-CB 3.48Å; Y121-D140 VanDerWaalsContact OH-CG 3.23Å; Y121-D140 PolarHBondContact OH-OD2 3.21Å; K136-D140 WeakPolarHBondContact O-CB 3.31Å; K136-D140 PolarHBondContact O-N 3.3Å; D140-I142 HydrophobicContact CB-CD1 3.94Å; D140-I142 HydrophobicContact CB-CG1 4.27Å; D140-I142 PolarHBondContact O-N 2.9Å |
| 141 | G | 88.8 | Confident | 91 | Very high | 64 Ų | 64 | 69.8 Ų | 69.8 | 66% | 0.66 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L138 K139 | L138-G141 PolarHBondContact O-N 3.35Å; K139-G141 PolarHBondContact O-N 3.13Å |
| 142 | I | 88.3 | Confident | 90.7 | Very high | 53 Ų | 53 | 67 Ų | 67 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -82.8 | -17.2 | -174.2 | -66.3 | 168.7 | 0 | 0 | 0 | 111.6 | V114 R117 L137 D140 | V114-I142 HydrophobicContact CG2-CG2 4.13Å; R117-I142 HydrophobicContact CB-CG2 4.36Å; R117-I142 HydrophobicContact CG-CD1 3.62Å; R117-I142 HydrophobicContact CG-CG2 4.39Å; R117-I142 VanDerWaalsContact NE-CD1 3.26Å; L137-I142 HydrophobicContact CD2-CB 4.34Å; L137-I142 HydrophobicContact CD2-CG2 3.93Å; L137-I142 PolarHBondContact O-N 3.21Å; L137-I142 VanDerWaalsContact O-N 3.12Å; D140-I142 HydrophobicContact CB-CD1 3.94Å; D140-I142 HydrophobicContact CB-CG1 4.27Å; D140-I142 PolarHBondContact O-N 2.9Å |
| 143 | C | 88.1 | Confident | 90.4 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.041 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -137.1 | 137 | 168.1 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | V114 L137 L138 V148 | V114-C143 WeakPolarHBondContact CG2-SG 3.39Å; L137-C143 HydrophobicContact CB-CB 4.31Å; L137-C143 PolarHBondContact O-N 3.16Å; L138-C143 WeakPolarHBondContact CD2-O 3.39Å; C143-V148 HydrophobicContact CB-CB 3.66Å; C143-V148 HydrophobicContact CB-CG2 3.88Å |
| 144 | D | 88.7 | Confident | 90.3 | Very high | 119 Ų | 119 | 65 Ų | 65 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | trans | -72.1 | 162 | 161.2 | -64.3 | -65.5 | 0 | 0 | 0 | 112 | N146 N147 V148 | D144-N146 PolarHBondContact O-N 2.97Å; D144-N147 HydrophobicContact CB-CB 4.35Å; D144-N147 PolarHBondContact O-N 3.42Å; D144-V148 WeakPolarHBondContact O-CB 3.47Å; D144-V148 PolarHBondContact O-N 3.4Å | ||
| 145 | R | 88.6 | Confident | 90.1 | Very high | 181 Ų | 181 | 62.7 Ų | 62.7 | 68% | 0.683 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -27.1 | 171.8 | -164.9 | 64.3 | 166.4 | -167 | -4.6 | 113.8 | ||
| 146 | N | 85.3 | Confident | 89.8 | Confident | 163 Ų | 163 | 65.9 Ų | 65.9 | 87% | 0.872 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -18.7 | -179.4 | -62.8 | -17.1 | 0 | 0 | 0 | 114.1 | D144 | D144-N146 PolarHBondContact O-N 2.97Š|
| 147 | N | 86.8 | Confident | 89.6 | Confident | 59 Ų | 59 | 64.5 Ų | 64.5 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -17 | -178 | -170.3 | 39.5 | 0 | 0 | 0 | 112.7 | D144 | D144-N147 HydrophobicContact CB-CB 4.35Å; D144-N147 PolarHBondContact O-N 3.42Å |
| 148 | V | 89 | Confident | 89.3 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -61 | 127.2 | -178 | 72.7 | 0 | 0 | 0 | 0 | 111.4 | R134 L137 L138 C143 D144 | R134-V148 HydrophobicContact CG-CG2 3.55Å; L137-V148 HydrophobicContact CB-CG2 4.37Å; L137-V148 HydrophobicContact CD1-CG2 4.49Å; L138-V148 HydrophobicContact CD2-CB 3.89Å; L138-V148 HydrophobicContact CD2-CG1 4.01Å; L138-V148 HydrophobicContact CD2-CG2 4.15Å; L138-V148 HydrophobicContact CG-CB 4.41Å; L138-V148 HydrophobicContact CG-CG2 4.14Å; C143-V148 HydrophobicContact CB-CB 3.66Å; C143-V148 HydrophobicContact CB-CG2 3.88Å; D144-V148 WeakPolarHBondContact O-CB 3.47Å; D144-V148 PolarHBondContact O-N 3.4Å |
| 149 | P | 89.4 | Confident | 88.9 | Confident | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.039 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 148.8 | 178.3 | 22.9 | -32 | 0 | 0 | 0 | 111.3 | T110 V114 I118 L137 I154 | T110-P149 HydrophobicContact CG2-CB 4.49Å; T110-P149 HydrophobicContact CG2-CG 4.34Å; V114-P149 HydrophobicContact CG1-CG 3.86Å; I118-P149 HydrophobicContact CD1-CG 4.14Å; L137-P149 HydrophobicContact CD1-CG 4.07Å; P149-I154 HydrophobicContact CB-CG1 4.06Å; P149-I154 HydrophobicContact CG-CD1 4.11Å; P149-I154 HydrophobicContact CG-CG1 3.77Å |
| 150 | S | 90.4 | Very high | 88.3 | Confident | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 150.7 | 174.8 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | S152 S153 I154 | S150-S152 PolarHBondContact O-N 3.11Å; S150-S152 VanDerWaalsContact O-N 3.17Å; S150-S153 WeakPolarHBondContact O-CA 3.32Å; S150-S153 WeakPolarHBondContact O-CB 3.41Å; S150-S153 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact OG-OG 2.75Å; S150-I154 PolarHBondContact O-N 2.63Å |
| 151 | V | 91.6 | Very high | 87.5 | Confident | 50 Ų | 50 | 70 Ų | 70 | 30% | 0.303 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -50.7 | -43.4 | 179.4 | -177 | 0 | 0 | 0 | 0 | 111.3 | W131 S153 I154 S155 | W131-V151 HydrophobicContact CB-CG1 4.49Å; W131-V151 HydrophobicContact CB-CG2 4.36Å; V151-S153 VanDerWaalsContact C-N 3.25Å; V151-S153 PolarHBondContact O-N 3.29Å; V151-I154 PolarHBondContact O-N 2.85Å; V151-S155 PolarHBondContact O-N 3.21Å; V151-S155 PolarHBondContact O-OG 2.95Å |
| 152 | S | 88.9 | Confident | 86.8 | Confident | 80 Ų | 80 | 71.2 Ų | 71.2 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.6 | -22.2 | 176.5 | -33.7 | 0 | 0 | 0 | 0 | 114.4 | S150 R156 | S150-S152 PolarHBondContact O-N 3.11Å; S150-S152 VanDerWaalsContact O-N 3.17Å; S152-R156 WeakPolarHBondContact O-CG 3.45Å; S152-R156 PolarHBondContact O-N 2.94Å; S152-R156 PolarHBondContact O-NE 2.94Å |
| 153 | S | 88.9 | Confident | 85.5 | Confident | 24 Ų | 24 | 71.5 Ų | 71.5 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -83.4 | -41.8 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | S150 V151 S155 R156 I157 | S150-S153 WeakPolarHBondContact O-CA 3.32Å; S150-S153 WeakPolarHBondContact O-CB 3.41Å; S150-S153 PolarHBondContact O-N 3.46Å; S150-S153 PolarHBondContact OG-OG 2.75Å; V151-S153 VanDerWaalsContact C-N 3.25Å; V151-S153 PolarHBondContact O-N 3.29Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S153-S155 PolarHBondContact O-N 2.98Å; S153-R156 WeakPolarHBondContact O-CB 3.42Å; S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-NH2 2.98Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.17Å |
| 154 | I | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.3 | -49.3 | 170.2 | -62.9 | 167.9 | 0 | 0 | 0 | 109.8 | I118 S130 I133 R134 L137 P149 S150 V151 R156 I157 M158 | I118-I154 HydrophobicContact CD1-CG1 4.01Å; I118-I154 HydrophobicContact CD1-CG2 4.5Å; I118-I154 HydrophobicContact CG2-CG2 4.14Å; S130-I154 WeakPolarHBondContact O-CD1 3.3Å; I133-I154 HydrophobicContact CB-CG2 4.09Å; I133-I154 HydrophobicContact CD1-CG2 4.44Å; I133-I154 HydrophobicContact CG2-CD1 4.4Å; I133-I154 HydrophobicContact CG2-CG2 3.55Å; R134-I154 HydrophobicContact CB-CD1 3.57Å; R134-I154 HydrophobicContact CG-CD1 3.95Å; L137-I154 HydrophobicContact CD1-CD1 4.5Å; P149-I154 HydrophobicContact CB-CG1 4.06Å; P149-I154 HydrophobicContact CG-CD1 4.11Å; P149-I154 HydrophobicContact CG-CG1 3.77Å; S150-I154 PolarHBondContact O-N 2.63Å; V151-I154 PolarHBondContact O-N 2.85Å; I154-R156 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact O-N 3.16Å; I154-I157 PolarHBondContact O-N 3.48Å; I154-I157 VanDerWaalsContact O-N 3.15Å; I154-M158 HydrophobicContact CG2-CG 4.36Å; I154-M158 HydrophobicContact CG2-SD 3.7Å; I154-M158 VanDerWaalsContact O-CG 3.28Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 3.14Å |
| 155 | S | 90.3 | Very high | 82 | Confident | 25 Ų | 25 | 75.1 Ų | 75.1 | 18% | 0.175 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.2 | -23.8 | 175.5 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | S130 V151 S153 R159 | S130-S155 VanDerWaalsContact CB-OG 3.25Å; S130-S155 WeakPolarHBondContact CB-OG 3.41Å; S130-S155 PolarHBondContact OG-OG 3.29Å; V151-S155 PolarHBondContact O-N 3.21Å; V151-S155 PolarHBondContact O-OG 2.95Å; S153-S155 VanDerWaalsContact C-N 3.35Å; S153-S155 PolarHBondContact O-N 2.98Å; S155-R159 WeakPolarHBondContact O-CG 3.4Å; S155-R159 PolarHBondContact O-N 3.03Å; S155-R159 PolarHBondContact O-NH1 2.81Å |
| 156 | R | 87.4 | Confident | 80 | Confident | 139 Ų | 139 | 69.6 Ų | 69.6 | 53% | 0.525 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -76.4 | -48.8 | 173 | -80.5 | -179.5 | -67.1 | -140.5 | -1.2 | 110.8 | S152 S153 I154 M158 R159 T160 | S152-R156 WeakPolarHBondContact O-CG 3.45Å; S152-R156 PolarHBondContact O-N 2.94Å; S152-R156 PolarHBondContact O-NE 2.94Å; S153-R156 WeakPolarHBondContact O-CB 3.42Å; S153-R156 PolarHBondContact O-N 2.95Å; S153-R156 PolarHBondContact OG-NH2 2.98Å; I154-R156 PolarHBondContact O-N 3.3Å; I154-R156 VanDerWaalsContact O-N 3.16Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.36Å; R156-R159 PolarHBondContact O-N 3.49Å; R156-T160 WeakPolarHBondContact O-CB 3.25Å; R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 2.91Å |
| 157 | I | 88 | Confident | 78.3 | Confident | 20 Ų | 20 | 70.2 Ų | 70.2 | 10% | 0.103 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -55.3 | -47.7 | 176 | -65.7 | 157.7 | 0 | 0 | 0 | 109.9 | T110 E115 I118 S153 I154 R159 T160 K161 | T110-I157 HydrophobicContact CG2-CD1 3.99Å; E115-I157 HydrophobicContact CG-CD1 4.17Å; I118-I157 HydrophobicContact CB-CG2 4.42Å; I118-I157 HydrophobicContact CD1-CD1 3.75Å; I118-I157 HydrophobicContact CG2-CB 4.45Å; I118-I157 HydrophobicContact CG2-CG2 3.9Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 3.17Å; I154-I157 PolarHBondContact O-N 3.48Å; I154-I157 VanDerWaalsContact O-N 3.15Å; I157-R159 PolarHBondContact O-N 3.29Å; I157-T160 PolarHBondContact O-N 3.22Å; I157-K161 PolarHBondContact O-N 3.48Å; I157-K161 VanDerWaalsContact O-N 3.09Å |
| 158 | M | 87.5 | Confident | 76.4 | Confident | 19 Ų | 19 | 74.5 Ų | 74.5 | 9% | 0.094 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -57.1 | -49.1 | 176 | -67.3 | 164.8 | 76.7 | 0 | 0 | 112.4 | I118 K122 S130 I133 I154 R156 T160 K161 F162 | I118-M158 HydrophobicContact CG2-CG 4.06Å; K122-M158 HydrophobicContact CD-CE 3.73Å; K122-M158 VanDerWaalsContact CE-CE 3.45Å; K122-M158 HydrophobicContact CG-CE 4.17Å; S130-M158 PolarHBondContact OG-SD 3.26Å; I133-M158 HydrophobicContact CD1-CE 3.66Å; I133-M158 HydrophobicContact CD1-CG 4.4Å; I133-M158 HydrophobicContact CD1-SD 3.65Å; I154-M158 HydrophobicContact CG2-CG 4.36Å; I154-M158 HydrophobicContact CG2-SD 3.7Å; I154-M158 VanDerWaalsContact O-CG 3.28Å; I154-M158 WeakPolarHBondContact O-CG 3.47Å; I154-M158 PolarHBondContact O-N 3.14Å; R156-M158 VanDerWaalsContact C-N 3.29Å; R156-M158 PolarHBondContact O-N 3.36Å; M158-T160 PolarHBondContact O-N 3.3Å; M158-K161 PolarHBondContact O-N 3.43Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 WeakPolarHBondContact O-CD2 3.37Å; M158-F162 PolarHBondContact O-N 3.42Å |
| 159 | R | 84.9 | Confident | 74.5 | Confident | 156 Ų | 156 | 78.7 Ų | 78.7 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 178.2 | -75 | -169 | -58.8 | -90.7 | 2.6 | 113.1 | S155 R156 I157 K161 G163 | S155-R159 WeakPolarHBondContact O-CG 3.4Å; S155-R159 PolarHBondContact O-N 3.03Å; S155-R159 PolarHBondContact O-NH1 2.81Å; R156-R159 PolarHBondContact O-N 3.49Å; I157-R159 PolarHBondContact O-N 3.29Å; R159-K161 PolarHBondContact O-N 3.2Å; R159-G163 VanDerWaalsContact O-CA 3.26Å; R159-G163 WeakPolarHBondContact O-CA 3.48Å; R159-G163 PolarHBondContact O-N 3.39Å |
| 160 | T | 80.6 | Confident | 72.6 | Confident | 119 Ų | 119 | 86.5 Ų | 86.5 | 73% | 0.73 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -69.3 | -17.4 | 178 | -62.3 | 0 | 0 | 0 | 0 | 113.4 | R156 I157 M158 | R156-T160 WeakPolarHBondContact O-CB 3.25Å; R156-T160 PolarHBondContact O-N 2.98Å; R156-T160 PolarHBondContact O-OG1 2.91Å; I157-T160 PolarHBondContact O-N 3.22Å; M158-T160 PolarHBondContact O-N 3.3Å |
| 161 | K | 76.2 | Confident | 70.7 | Confident | 110 Ų | 110 | 90.3 Ų | 90.3 | 48% | 0.478 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -114.3 | -22.3 | -178.9 | -65.9 | -58.4 | -162.4 | 73 | 0 | 115.6 | E119 I157 M158 R159 | E119-K161 HydrophobicContact CG-CB 4.31Å; E119-K161 HydrophobicContact CG-CG 4.22Å; E119-K161 IonicContact OE1-NZ 2.72Å; E119-K161 PolarHBondContact OE1-NZ 3.35Å; E119-K161 IonicContact OE2-NZ 3.37Å; E119-K161 PolarHBondContact OE2-NZ 2.99Å; I157-K161 PolarHBondContact O-N 3.48Å; I157-K161 VanDerWaalsContact O-N 3.09Å; M158-K161 PolarHBondContact O-N 3.43Å; R159-K161 PolarHBondContact O-N 3.2Å |
| 162 | F | 73.1 | Confident | 68.9 | Low | 90 Ų | 90 | 94.7 Ų | 94.7 | 40% | 0.395 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -128 | -6.7 | -177.5 | -58.5 | -91.3 | 0 | 0 | 0 | 113.6 | E119 K122 M158 | E119-F162 HydrophobicContact CB-CE2 4.21Å; E119-F162 HydrophobicContact CB-CZ 4.11Å; E119-F162 HydrophobicContact CG-CE2 3.99Å; E119-F162 HydrophobicContact CG-CZ 4.31Å; E119-F162 WeakPolarHBondContact O-CZ 3.08Å; K122-F162 HydrophobicContact CB-CE2 3.99Å; K122-F162 HydrophobicContact CB-CZ 3.99Å; K122-F162 HydrophobicContact CG-CD1 4.5Å; K122-F162 HydrophobicContact CG-CD2 4.15Å; K122-F162 HydrophobicContact CG-CE1 4.42Å; K122-F162 HydrophobicContact CG-CE2 4.09Å; K122-F162 HydrophobicContact CG-CG 4.37Å; K122-F162 HydrophobicContact CG-CZ 4.23Å; M158-F162 WeakPolarHBondContact O-CB 3.41Å; M158-F162 WeakPolarHBondContact O-CD2 3.37Å; M158-F162 PolarHBondContact O-N 3.42Å |
| 163 | G | 60.3 | Low | 67 | Low | 60 Ų | 60 | 97 Ų | 97 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -101.4 | 40.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R159 | R159-G163 VanDerWaalsContact O-CA 3.26Å; R159-G163 WeakPolarHBondContact O-CA 3.48Å; R159-G163 PolarHBondContact O-N 3.39Å |
| 164 | G | 53.3 | Low | 65.5 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 63% | 0.629 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 165.8 | 41.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 165 | K | 51.3 | Low | 64 | Low | 140 Ų | 140 | 108 Ų | 108 | 61% | 0.609 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -166.5 | 61.1 | 175.6 | -150.1 | 173.1 | -160 | -62.2 | 0 | 111.4 | E169 | K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.29Å; K165-E169 VanDerWaalsContact CG-OE2 3.23Å; K165-E169 WeakPolarHBondContact CG-OE2 3.35Å; K165-E169 IonicContact NZ-OE1 2.64Å; K165-E169 PolarHBondContact NZ-OE1 3.17Å; K165-E169 IonicContact NZ-OE2 3.96Å; K165-E169 PolarHBondContact NZ-OE2 3.13Å |
| 166 | G | 46.6 | Very low | 62.5 | Low | 64 Ų | 64 | 113.3 Ų | 113.3 | 66% | 0.66 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -166.6 | -9.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 167 | E | 48.2 | Very low | 61.3 | Low | 177 Ų | 177 | 113.2 Ų | 113.2 | 83% | 0.827 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -133.8 | -15.2 | 179.8 | -66.3 | 174.1 | 174.3 | 0 | 0 | 112.9 | ||
| 168 | E | 48.3 | Very low | 60 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -98.1 | -25.6 | -176.4 | -65.7 | 173.3 | 160.3 | 0 | 0 | 113.5 | E170 | E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 2.98Å |
| 169 | E | 48.9 | Very low | 58.8 | Low | 104 Ų | 104 | 125 Ų | 125 | 49% | 0.486 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.4 | -7.1 | -176.3 | -68.6 | -177.5 | 135.8 | 0 | 0 | 114.3 | K165 | K165-E169 VanDerWaalsContact CE-OE1 3.26Å; K165-E169 WeakPolarHBondContact CE-OE1 3.29Å; K165-E169 VanDerWaalsContact CG-OE2 3.23Å; K165-E169 WeakPolarHBondContact CG-OE2 3.35Å; K165-E169 IonicContact NZ-OE1 2.64Å; K165-E169 PolarHBondContact NZ-OE1 3.17Å; K165-E169 IonicContact NZ-OE2 3.96Å; K165-E169 PolarHBondContact NZ-OE2 3.13Å |
| 170 | E | 49.2 | Very low | 57.8 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -21.7 | 173.9 | -66.6 | -172 | 174 | 0 | 0 | 112.8 | E168 | E168-E170 VanDerWaalsContact C-N 3.35Å; E168-E170 PolarHBondContact O-N 2.98Å |
| 171 | E | 50.7 | Low | 56.8 | Low | 141 Ų | 141 | 122.2 Ų | 122.2 | 66% | 0.659 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -84.1 | -34.7 | 175.9 | -67.7 | -165.2 | 153.6 | 0 | 0 | 112.8 | E174 I175 | E171-E174 PolarHBondContact O-N 3.06Å; E171-I175 WeakPolarHBondContact O-CD1 3.44Å; E171-I175 VanDerWaalsContact O-CG1 3.31Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.01Å |
| 172 | E | 53.3 | Low | 56 | Low | 141 Ų | 141 | 121.6 Ų | 121.6 | 66% | 0.659 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.1 | -42.4 | -175.2 | -158.2 | 162.5 | -137.6 | 0 | 0 | 112 | E174 I175 E176 | E172-E174 VanDerWaalsContact C-N 3.35Å; E172-E174 PolarHBondContact O-N 3.49Å; E172-I175 PolarHBondContact O-N 2.93Å; E172-E176 PolarHBondContact O-N 2.82Å; E172-E176 VanDerWaalsContact O-N 3.17Å |
| 173 | D | 50.1 | Low | 55.4 | Low | 129 Ų | 129 | 120.8 Ų | 120.8 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.3 | -34.2 | 174.9 | -89.4 | -0.4 | 0 | 0 | 0 | 113.3 | ||
| 174 | E | 56.8 | Low | 55.5 | Low | 154 Ų | 154 | 123.4 Ų | 123.4 | 72% | 0.72 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.8 | -26.9 | 179.4 | -165.1 | 170.5 | -124.6 | 0 | 0 | 112.1 | E171 E172 | E171-E174 PolarHBondContact O-N 3.06Å; E172-E174 VanDerWaalsContact C-N 3.35Å; E172-E174 PolarHBondContact O-N 3.49Å |
| 175 | I | 59 | Low | 56.1 | Low | 102 Ų | 102 | 126.9 Ų | 126.9 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.2 | -49.6 | 177.2 | -67.8 | 165.9 | 0 | 0 | 0 | 111.5 | E171 E172 K177 K178 E179 | E171-I175 WeakPolarHBondContact O-CD1 3.44Å; E171-I175 VanDerWaalsContact O-CG1 3.31Å; E171-I175 WeakPolarHBondContact O-CG1 3.25Å; E171-I175 PolarHBondContact O-N 3.01Å; E172-I175 PolarHBondContact O-N 2.93Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; I175-K178 WeakPolarHBondContact O-CB 3.3Å; I175-K178 PolarHBondContact O-N 2.92Å; I175-E179 PolarHBondContact O-N 3.41Å; I175-E179 VanDerWaalsContact O-N 3.16Å |
| 176 | E | 58.5 | Low | 56.4 | Low | 136 Ų | 136 | 130 Ų | 130 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -57.6 | -44.1 | 179.9 | -76.4 | -153.8 | 148.2 | 0 | 0 | 111.8 | E172 K178 E179 L180 | E172-E176 PolarHBondContact O-N 2.82Å; E172-E176 VanDerWaalsContact O-N 3.17Å; E176-K178 PolarHBondContact O-N 2.7Å; E176-E179 PolarHBondContact O-N 2.85Å; E176-L180 WeakPolarHBondContact O-CG 3.32Å; E176-L180 PolarHBondContact O-N 3.11Å |
| 177 | K | 62.6 | Low | 57 | Low | 137 Ų | 137 | 130.1 Ų | 130.1 | 60% | 0.596 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -57 | -34.9 | 178.1 | -173.3 | -178.6 | 176.4 | -172.9 | 0 | 112.6 | I175 E181 | I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 2.74Å; K177-E181 PolarHBondContact O-N 3.35Å |
| 178 | K | 61.7 | Low | 57.4 | Low | 145 Ų | 145 | 128 Ų | 128 | 63% | 0.63 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.5 | -40.8 | -178.2 | -170.3 | 176.9 | 179.6 | 179.9 | 0 | 112.5 | I175 E176 L180 E181 D182 | I175-K178 WeakPolarHBondContact O-CB 3.3Å; I175-K178 PolarHBondContact O-N 2.92Å; E176-K178 PolarHBondContact O-N 2.7Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.05Å; K178-E181 PolarHBondContact O-N 3.37Å; K178-D182 PolarHBondContact O-N 3.04Å; K178-D182 VanDerWaalsContact O-N 3.15Å |
| 179 | E | 61.7 | Low | 57.6 | Low | 140 Ų | 140 | 128.8 Ų | 128.8 | 65% | 0.654 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.1 | -32.8 | 176.4 | -65.3 | -152.3 | 142.8 | 0 | 0 | 112.3 | I175 E176 S183 | I175-E179 PolarHBondContact O-N 3.41Å; I175-E179 VanDerWaalsContact O-N 3.16Å; E176-E179 PolarHBondContact O-N 2.85Å; E179-S183 VanDerWaalsContact O-CB 3.25Å; E179-S183 WeakPolarHBondContact O-CB 3.5Å; E179-S183 PolarHBondContact O-N 3.05Å; E179-S183 PolarHBondContact O-OG 2.76Å |
| 180 | L | 62.8 | Low | 57.7 | Low | 121 Ų | 121 | 126.5 Ų | 126.5 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.9 | -46 | 173.9 | -69.5 | 170 | 0 | 0 | 0 | 112.3 | E176 K178 S183 E184 | E176-L180 WeakPolarHBondContact O-CG 3.32Å; E176-L180 PolarHBondContact O-N 3.11Å; K178-L180 VanDerWaalsContact C-N 3.28Å; K178-L180 PolarHBondContact O-N 3.05Å; L180-S183 PolarHBondContact O-N 3.43Å; L180-E184 PolarHBondContact O-N 3.26Å; L180-E184 VanDerWaalsContact O-N 3.09Å |
| 181 | E | 61.2 | Low | 57.9 | Low | 96 Ų | 96 | 124.9 Ų | 124.9 | 45% | 0.449 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 178 | -78.9 | -162.5 | -145.2 | 0 | 0 | 112.9 | K177 K178 S183 E184 R185 | K177-E181 PolarHBondContact O-N 3.35Å; K178-E181 PolarHBondContact O-N 3.37Å; E181-S183 VanDerWaalsContact C-N 3.35Å; E181-E184 PolarHBondContact O-N 3.47Å; E181-R185 VanDerWaalsContact O-CD 3.25Å; E181-R185 WeakPolarHBondContact O-CD 3.48Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.41Å; E181-R185 PolarHBondContact O-NE 3.48Å; E181-R185 IonicContact OE2-CZ 3.25Å; E181-R185 IonicContact OE2-NE 2.9Å; E181-R185 IonicContact OE2-NH2 3.83Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å |
| 182 | D | 59.6 | Low | 58.3 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 52% | 0.519 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.2 | -31.6 | 177.7 | -83.8 | -24.5 | 0 | 0 | 0 | 112.4 | K178 R186 | K178-D182 PolarHBondContact O-N 3.04Å; K178-D182 VanDerWaalsContact O-N 3.15Å; D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 PolarHBondContact O-N 3.16Å |
| 183 | S | 58.8 | Low | 58.4 | Low | 74 Ų | 74 | 122.6 Ų | 122.6 | 52% | 0.517 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -44.5 | 173.3 | -64.5 | 0 | 0 | 0 | 0 | 112.3 | E179 L180 E181 R185 R186 A187 | E179-S183 VanDerWaalsContact O-CB 3.25Å; E179-S183 WeakPolarHBondContact O-CB 3.5Å; E179-S183 PolarHBondContact O-N 3.05Å; E179-S183 PolarHBondContact O-OG 2.76Å; L180-S183 PolarHBondContact O-N 3.43Å; E181-S183 VanDerWaalsContact C-N 3.35Å; S183-R185 VanDerWaalsContact C-N 3.35Å; S183-R185 PolarHBondContact O-N 2.99Å; S183-R186 PolarHBondContact O-N 3.46Å; S183-A187 PolarHBondContact O-N 2.83Å |
| 184 | E | 63.6 | Low | 58.7 | Low | 115 Ų | 115 | 123.1 Ų | 123.1 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -35.3 | 179.5 | -151.7 | -143.8 | 168.7 | 0 | 0 | 112.2 | L180 E181 K188 | L180-E184 PolarHBondContact O-N 3.26Å; L180-E184 VanDerWaalsContact O-N 3.09Å; E181-E184 PolarHBondContact O-N 3.47Å; E184-K188 WeakPolarHBondContact O-CD 3.4Å; E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.36Å; E184-K188 IonicContact OE1-NZ 2.66Å; E184-K188 PolarHBondContact OE1-NZ 3.19Å; E184-K188 IonicContact OE2-NZ 2.98Å; E184-K188 PolarHBondContact OE2-NZ 2.98Å |
| 185 | R | 64.5 | Low | 58.5 | Low | 134 Ų | 134 | 123.4 Ų | 123.4 | 51% | 0.506 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64 | -44.3 | 172.5 | -66.9 | 160.7 | -163.5 | -116.8 | 6.2 | 110.9 | E181 S183 K188 H189 | E181-R185 VanDerWaalsContact O-CD 3.25Å; E181-R185 WeakPolarHBondContact O-CD 3.48Å; E181-R185 WeakPolarHBondContact O-CG 3.49Å; E181-R185 PolarHBondContact O-N 3.41Å; E181-R185 PolarHBondContact O-NE 3.48Å; E181-R185 IonicContact OE2-CZ 3.25Å; E181-R185 IonicContact OE2-NE 2.9Å; E181-R185 IonicContact OE2-NH2 3.83Å; E181-R185 PolarHBondContact OE2-NH2 2.89Å; S183-R185 VanDerWaalsContact C-N 3.35Å; S183-R185 PolarHBondContact O-N 2.99Å; R185-K188 PolarHBondContact O-N 2.63Å; R185-H189 PolarHBondContact O-CD2 3.34Å; R185-H189 VanDerWaalsContact O-CD2 3.3Å |
| 186 | R | 59 | Low | 57.9 | Low | 206 Ų | 206 | 121.9 Ų | 121.9 | 78% | 0.777 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | -179.6 | -168 | 173.9 | -175 | 177.1 | 1.1 | 113.1 | D182 S183 K188 H189 | D182-R186 WeakPolarHBondContact O-CB 3.41Å; D182-R186 PolarHBondContact O-N 3.16Å; S183-R186 PolarHBondContact O-N 3.46Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.17Å; R186-H189 PolarHBondContact O-N 3.44Å |
| 187 | A | 58.8 | Low | 57.4 | Low | 65 Ų | 65 | 121 Ų | 121 | 54% | 0.537 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -59.8 | -39.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S183 H189 S190 | S183-A187 PolarHBondContact O-N 2.83Å; A187-H189 PolarHBondContact O-N 3.01Å; A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.16Å |
| 188 | K | 57.2 | Low | 56.7 | Low | 133 Ų | 133 | 124.4 Ų | 124.4 | 58% | 0.578 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -0.1 | -179.5 | -66.5 | 165.4 | -172.5 | 171.7 | 0 | 114.3 | E184 R185 R186 | E184-K188 WeakPolarHBondContact O-CD 3.4Å; E184-K188 WeakPolarHBondContact O-CG 3.26Å; E184-K188 WeakPolarHBondContact OE1-CE 3.36Å; E184-K188 IonicContact OE1-NZ 2.66Å; E184-K188 PolarHBondContact OE1-NZ 3.19Å; E184-K188 IonicContact OE2-NZ 2.98Å; E184-K188 PolarHBondContact OE2-NZ 2.98Å; R185-K188 PolarHBondContact O-N 2.63Å; R186-K188 VanDerWaalsContact C-N 3.31Å; R186-K188 PolarHBondContact O-N 3.17Å |
| 189 | H | 51.7 | Low | 55.4 | Low | 165 Ų | 165 | 122.8 Ų | 122.8 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.6 | 8.2 | 177.9 | -54.9 | -34.1 | 0 | 0 | 0 | 113 | R185 R186 A187 | R185-H189 PolarHBondContact O-CD2 3.34Å; R185-H189 VanDerWaalsContact O-CD2 3.3Å; R186-H189 PolarHBondContact O-N 3.44Å; A187-H189 PolarHBondContact O-N 3.01Å |
| 190 | S | 50.8 | Low | 54.2 | Low | 55 Ų | 55 | 121.1 Ų | 121.1 | 39% | 0.385 | 65% | 0.648 | S | S | . | * | trans | -84.8 | 143.3 | 177 | -169 | 0 | 0 | 0 | 0 | 112.4 | A187 E192 G193 | A187-S190 PolarHBondContact O-N 3.15Å; A187-S190 VanDerWaalsContact O-N 3.16Å; S190-E192 VanDerWaalsContact C-N 3.26Å; S190-E192 PolarHBondContact O-N 3.15Å; S190-G193 PolarHBondContact O-N 3.37Å | ||
| 191 | I | 54.6 | Low | 53 | Low | 136 Ų | 136 | 123.6 Ų | 123.6 | 70% | 0.697 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -67.1 | -21.7 | -173.4 | -167.1 | 164.4 | 0 | 0 | 0 | 114.1 | G193 I194 | I191-G193 PolarHBondContact O-N 2.82Å; I191-I194 PolarHBondContact O-N 2.83Å |
| 192 | E | 58.4 | Low | 51.6 | Low | 162 Ų | 162 | 123.4 Ų | 123.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -64 | -28.8 | 176.5 | -65.5 | 178.8 | 133.1 | 0 | 0 | 112.5 | S190 I194 | S190-E192 VanDerWaalsContact C-N 3.26Å; S190-E192 PolarHBondContact O-N 3.15Å; E192-I194 PolarHBondContact O-N 2.84Å; E192-I194 VanDerWaalsContact O-N 3.1Å |
| 193 | G | 55.4 | Low | 50.4 | Low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -68.9 | -5.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S190 I191 | S190-G193 PolarHBondContact O-N 3.37Å; I191-G193 PolarHBondContact O-N 2.82Å |
| 194 | I | 55.3 | Low | 49.3 | Very low | 141 Ų | 141 | 130.9 Ų | 130.9 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -104.1 | -13.3 | -172.9 | -62.5 | 178.4 | 0 | 0 | 0 | 112.6 | I191 E192 | I191-I194 PolarHBondContact O-N 2.83Å; E192-I194 PolarHBondContact O-N 2.84Å; E192-I194 VanDerWaalsContact O-N 3.1Å |
| 195 | L | 53.5 | Low | 48.1 | Very low | 159 Ų | 159 | 128.5 Ų | 128.5 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -124.2 | 6.4 | -175.3 | -66.9 | 173.4 | 0 | 0 | 0 | 114.6 | ||
| 196 | G | 46.2 | Very low | 46.7 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 71% | 0.708 | S | S | * | * | trans | -89.8 | -26.6 | -166 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 197 | D | 47.8 | Very low | 45.8 | Very low | 118 Ų | 118 | 124 Ų | 124 | 63% | 0.631 | 71% | 0.709 | S | S | * | * | trans | -95.9 | 113.9 | 179.6 | 175.8 | 25.2 | 0 | 0 | 0 | 111.4 | ||||
| 198 | R | 48 | Very low | 44.8 | Very low | 209 Ų | 209 | 126.9 Ų | 126.9 | 79% | 0.789 | 72% | 0.719 | S | S | * | * | trans | 164.4 | 54.1 | 136.9 | -79 | -102.1 | 172.7 | -67.8 | -21 | 114.4 | ||||
| 199 | S | 34.9 | Very low | 43.8 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -170.6 | 109 | 152.6 | -170.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 200 | S | 37.3 | Very low | 43.2 | Very low | 106 Ų | 106 | 124.8 Ų | 124.8 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | 71.3 | 113.8 | 69.7 | -162.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 201 | H | 35.7 | Very low | 42.7 | Very low | 173 Ų | 173 | 129.9 Ų | 129.9 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | trans | 89.1 | 129 | 153.3 | -135 | -64 | 0 | 0 | 0 | 122.1 | ||||
| 202 | S | 33.6 | Very low | 42.1 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | trans | 90.2 | 141.8 | 151.7 | -99.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 203 | D | 32.6 | Very low | 41 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 57.2 | 122.7 | 166.3 | -62.3 | 19.3 | 0 | 0 | 0 | 119.4 | ||||
| 204 | E | 37.2 | Very low | 40.2 | Very low | 183 Ų | 183 | 130.6 Ų | 130.6 | 86% | 0.855 | 74% | 0.738 | S | S | * | * | 88.5 | 132 | 62 | -132.5 | -67 | 87.1 | 0 | 0 | 111.7 | |||||
| 205 | G | 38.5 | Very low | 39.5 | Very low | 65 Ų | 65 | 128 Ų | 128 | 67% | 0.67 | 73% | 0.731 | S | S | * | * | trans | 121.9 | 79.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 206 | S | 34.3 | Very low | 38.9 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 73% | 0.729 | S | S | * | * | trans | -70.6 | 137.6 | -174.7 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 207 | D | 40.4 | Very low | 38.7 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 146.6 | 153.4 | -178.6 | 28.9 | 0 | 0 | 0 | 111 | ||||
| 208 | V | 37.2 | Very low | 38.5 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -151 | 112.4 | 174.3 | -84.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 209 | E | 37.2 | Very low | 38.4 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | trans | -93.6 | 176.1 | -180 | -152.1 | -111 | 92.1 | 0 | 0 | 112 | ||||
| 210 | S | 38.4 | Very low | 38.8 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | 64.8 | 104.7 | 169.7 | -77.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 211 | E | 40.9 | Very low | 39.4 | Very low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | 19.6 | 140.2 | 123.4 | -90.7 | -83.8 | 129.4 | 0 | 0 | 120.1 | D213 | E211-D213 PolarHBondContact OE2-N 3.22Š| |||
| 212 | P | 41.4 | Very low | 40.5 | Very low | 114 Ų | 114 | 147.4 Ų | 147.4 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | -143.5 | 143.4 | 84.8 | 37.9 | -23.4 | 0 | 0 | 0 | 117.8 | L214 | P212-L214 PolarHBondContact O-N 2.89Å; P212-L214 VanDerWaalsContact O-N 3.15Å | |||
| 213 | D | 35.6 | Very low | 41.8 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | trans | -4.7 | 94.8 | 159.1 | -176 | 21.2 | 0 | 0 | 0 | 115.2 | E211 P215 | E211-D213 PolarHBondContact OE2-N 3.22Å; D213-P215 WeakPolarHBondContact O-CD 3.46Å | ||
| 214 | L | 38.6 | Very low | 44.2 | Very low | 151 Ų | 151 | 150.2 Ų | 150.2 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -81.8 | 103.8 | 159.1 | -78.9 | 174.9 | 0 | 0 | 0 | 108.4 | P212 L216 | P212-L214 PolarHBondContact O-N 2.89Å; P212-L214 VanDerWaalsContact O-N 3.15Å; L214-L216 PolarHBondContact O-N 2.76Å | ||
| 215 | P | 40.2 | Very low | 46.2 | Very low | 88 Ų | 88 | 143.7 Ų | 143.7 | 57% | 0.571 | 72% | 0.724 | S | S | * | * | trans | -64.2 | 102.4 | -176.2 | 25.1 | -35.6 | 0 | 0 | 0 | 109.7 | D213 K217 | D213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å | ||
| 216 | L | 41.8 | Very low | 48.5 | Very low | 149 Ų | 149 | 146.5 Ų | 146.5 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -60.9 | 89.6 | 179 | -71.7 | 176.2 | 0 | 0 | 0 | 109.4 | L214 R218 | L214-L216 PolarHBondContact O-N 2.76Å; L216-R218 PolarHBondContact O-N 3.01Å | ||
| 217 | K | 41.5 | Very low | 51.3 | Low | 195 Ų | 195 | 144.6 Ų | 144.6 | 85% | 0.848 | 71% | 0.708 | S | S | * | * | trans | -63.5 | 82.7 | 176.2 | -82 | 179.3 | 176.6 | 169.7 | 0 | 109.3 | P215 K219 | P215-K217 VanDerWaalsContact C-N 3.28Å; P215-K217 PolarHBondContact O-N 2.99Å; K217-K219 PolarHBondContact O-N 3.06Å | ||
| 218 | R | 42.6 | Very low | 53.9 | Low | 223 Ų | 223 | 140.8 Ų | 140.8 | 84% | 0.842 | 69% | 0.69 | S | S | * | * | trans | -45.3 | 98.6 | 171.5 | -67.7 | 176.1 | 178.5 | 86.3 | -4.1 | 107.7 | L216 Q220 | L216-R218 PolarHBondContact O-N 3.01Å; R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.45Å | ||
| 219 | K | 46.1 | Very low | 56.5 | Low | 204 Ų | 204 | 138.7 Ų | 138.7 | 89% | 0.887 | 69% | 0.685 | S | S | * | * | trans | -73.2 | 92.6 | -167.4 | -162.8 | 162.1 | -171.2 | 166.5 | 0 | 108.2 | K217 R221 | K217-K219 PolarHBondContact O-N 3.06Å; K219-R221 PolarHBondContact O-N 2.99Å | ||
| 220 | Q | 42.9 | Very low | 59.3 | Low | 162 Ų | 162 | 138 Ų | 138 | 76% | 0.757 | 68% | 0.682 | S | S | * | * | trans | -45.2 | 109.1 | -160.6 | -177.7 | 66.1 | -12 | 0 | 0 | 111.2 | R218 R222 | R218-Q220 VanDerWaalsContact C-N 3.34Å; R218-Q220 PolarHBondContact O-N 3.45Å; Q220-R222 PolarHBondContact O-N 3.29Å | ||
| 221 | R | 50 | Low | 62 | Low | 179 Ų | 179 | 135 Ų | 135 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | trans | -57.5 | 107.9 | -172 | 171.5 | 171.6 | 154.3 | -102.8 | -1 | 108.8 | K219 S223 | K219-R221 PolarHBondContact O-N 2.99Å; R221-S223 PolarHBondContact O-N 3.3Å | ||
| 222 | R | 59.2 | Low | 64.6 | Low | 240 Ų | 240 | 130.3 Ų | 130.3 | 91% | 0.906 | 64% | 0.638 | S | S | * | * | trans | -42.7 | 114.5 | -167.8 | -168.3 | -173.6 | -63.1 | -140.7 | 3.6 | 110.4 | Q220 R224 | Q220-R222 PolarHBondContact O-N 3.29Å; R222-R224 PolarHBondContact O-N 3.17Å | ||
| 223 | S | 62.2 | Low | 67.2 | Low | 95 Ų | 95 | 129.9 Ų | 129.9 | 66% | 0.664 | 63% | 0.626 | S | S | * | * | trans | -50.3 | 127.4 | -163.7 | -57.7 | 0 | 0 | 0 | 0 | 112 | R221 T225 | R221-S223 PolarHBondContact O-N 3.3Å; S223-T225 PolarHBondContact O-N 2.82Å | ||
| 224 | R | 81 | Confident | 70.1 | Confident | 200 Ų | 200 | 126.4 Ų | 126.4 | 76% | 0.755 | 61% | 0.606 | S | S | * | * | trans | -66.6 | 122.9 | 176 | -179.5 | -176.1 | 178.3 | 107 | 4.6 | 108.1 | R222 T226 | R222-R224 PolarHBondContact O-N 3.17Å; R224-T226 PolarHBondContact O-N 3.27Å | ||
| 225 | T | 81.1 | Confident | 72.8 | Confident | 46 Ų | 46 | 119.3 Ų | 119.3 | 28% | 0.282 | 57% | 0.569 | S | S | . | * | trans | -53.1 | 112.9 | 171.2 | -45.7 | 0 | 0 | 0 | 0 | 110.1 | S223 L259 R263 | S223-T225 PolarHBondContact O-N 2.82Å; T225-L259 HydrophobicContact CG2-CD2 4.14Å; T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.31Å; T225-R263 WeakPolarHBondContact OG1-CD 3.22Å | ||
| 226 | T | 86.8 | Confident | 75.5 | Confident | 123 Ų | 123 | 118 Ų | 118 | 76% | 0.755 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 125.2 | 165.1 | 45 | 0 | 0 | 0 | 0 | 107.5 | R224 | R224-T226 PolarHBondContact O-N 3.27Š|
| 227 | F | 92.4 | Very high | 78.1 | Confident | 58 Ų | 58 | 116.5 Ų | 116.5 | 25% | 0.254 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -84.5 | 141.9 | 176.4 | -58 | -101.6 | 0 | 0 | 0 | 108.8 | Q231 L232 L235 L259 W267 | F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.32Å; F227-L232 HydrophobicContact CB-CD1 4.28Å; F227-L232 HydrophobicContact CB-CD2 3.8Å; F227-L232 HydrophobicContact CB-CG 3.73Å; F227-L232 HydrophobicContact CG-CD2 4.12Å; F227-L235 HydrophobicContact CD1-CD1 3.91Å; F227-L235 HydrophobicContact CE1-CD1 3.91Å; F227-L259 HydrophobicContact CD1-CD1 3.78Å; F227-L259 HydrophobicContact CE1-CD1 3.65Å; F227-W267 HydrophobicContact CE1-CB 4.21Å; F227-W267 AromaticContact CE1-CD1 3.72Å; F227-W267 HydrophobicContact CE1-CG 4.25Å; F227-W267 AromaticContact CE2-CD1 3.99Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.67Å; F227-W267 HydrophobicContact CZ-CG 4.22Å |
| 228 | T | 94.3 | Very high | 80.7 | Confident | 68 Ų | 68 | 107.9 Ų | 107.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 168.4 | 168.4 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | Q231 L232 | T228-Q231 PolarHBondContact O-N 2.97Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.23Å; T228-Q231 VanDerWaalsContact OG1-CG 3.25Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.31Å; T228-Q231 VanDerWaalsContact OG1-N 3.11Å; T228-L232 WeakPolarHBondContact O-CG 3.15Å; T228-L232 PolarHBondContact O-N 2.97Å |
| 229 | A | 93.4 | Very high | 83.3 | Confident | 82 Ų | 82 | 97.4 Ų | 97.4 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61 | -48.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q231 L232 E233 | A229-Q231 PolarHBondContact O-N 3.08Å; A229-L232 WeakPolarHBondContact O-CB 3.46Å; A229-L232 PolarHBondContact O-N 2.93Å; A229-E233 PolarHBondContact O-N 3.21Å |
| 230 | E | 94.1 | Very high | 85.7 | Confident | 149 Ų | 149 | 95 Ų | 95 | 70% | 0.696 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -54 | -47.5 | 173.4 | 179.8 | -169.1 | -163.7 | 0 | 0 | 112.6 | L232 E233 E234 | E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.85Å; E230-E233 PolarHBondContact O-N 2.88Å; E230-E234 PolarHBondContact O-N 3.34Å; E230-E234 VanDerWaalsContact O-N 3.11Å |
| 231 | Q | 95 | Very high | 88.2 | Confident | 29 Ų | 29 | 97.8 Ų | 97.8 | 14% | 0.136 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -62.5 | -33.7 | 176 | -75.8 | 174.1 | -19.6 | 0 | 0 | 112.7 | F227 T228 A229 L235 A257 | F227-Q231 VanDerWaalsContact CA-OE1 3.3Å; F227-Q231 HydrophobicContact CB-CB 4.32Å; T228-Q231 PolarHBondContact O-N 2.97Å; T228-Q231 WeakPolarHBondContact OG1-CB 3.23Å; T228-Q231 VanDerWaalsContact OG1-CG 3.25Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.42Å; T228-Q231 PolarHBondContact OG1-N 3.31Å; T228-Q231 VanDerWaalsContact OG1-N 3.11Å; A229-Q231 PolarHBondContact O-N 3.08Å; Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CD1 3.25Å; Q231-L235 WeakPolarHBondContact O-CD1 3.44Å; Q231-L235 WeakPolarHBondContact O-CG 3.4Å; Q231-L235 PolarHBondContact O-N 2.77Å; Q231-A257 HydrophobicContact CG-CB 4.21Å; Q231-A257 WeakPolarHBondContact CG-O 3.45Å; Q231-A257 PolarHBondContact NE2-O 3.49Å |
| 232 | L | 96.7 | Very high | 90.3 | Very high | 61 Ų | 61 | 91.8 Ų | 91.8 | 32% | 0.319 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -73.8 | -39.2 | 175.4 | -72.6 | 168.7 | 0 | 0 | 0 | 111.4 | F227 T228 A229 E230 L235 E236 W267 | F227-L232 HydrophobicContact CB-CD1 4.28Å; F227-L232 HydrophobicContact CB-CD2 3.8Å; F227-L232 HydrophobicContact CB-CG 3.73Å; F227-L232 HydrophobicContact CG-CD2 4.12Å; T228-L232 WeakPolarHBondContact O-CG 3.15Å; T228-L232 PolarHBondContact O-N 2.97Å; A229-L232 WeakPolarHBondContact O-CB 3.46Å; A229-L232 PolarHBondContact O-N 2.93Å; E230-L232 VanDerWaalsContact C-N 3.28Å; E230-L232 PolarHBondContact O-N 2.85Å; L232-L235 PolarHBondContact O-N 3.08Å; L232-E236 WeakPolarHBondContact O-CB 3.42Å; L232-E236 WeakPolarHBondContact O-CG 3.45Å; L232-E236 PolarHBondContact O-N 2.82Å; L232-W267 VanDerWaalsContact CD2-NE1 3.3Å |
| 233 | E | 96.2 | Very high | 92 | Very high | 106 Ų | 106 | 83.5 Ų | 83.5 | 50% | 0.495 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 179.6 | -165.4 | -164.1 | 120.2 | 0 | 0 | 111.8 | A229 E230 L235 E236 R237 | A229-E233 PolarHBondContact O-N 3.21Å; E230-E233 PolarHBondContact O-N 2.88Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.35Å; E233-E236 PolarHBondContact O-N 3.41Å; E233-R237 VanDerWaalsContact O-CB 3.32Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 PolarHBondContact O-N 2.8Å; E233-R237 IonicContact OE1-CZ 2.74Å; E233-R237 IonicContact OE1-NH1 3.91Å; E233-R237 PolarHBondContact OE1-NH1 3.04Å; E233-R237 IonicContact OE1-NH2 3.24Å; E233-R237 PolarHBondContact OE1-NH2 2.77Å |
| 234 | E | 95.4 | Very high | 93.7 | Very high | 47 Ų | 47 | 86.6 Ų | 86.6 | 22% | 0.22 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 178.5 | -176.3 | 67.5 | 171.4 | 0 | 0 | 111.9 | E230 R237 A238 L253 R256 | E230-E234 PolarHBondContact O-N 3.34Å; E230-E234 VanDerWaalsContact O-N 3.11Å; E234-R237 IonicContact OE2-NH1 2.68Å; E234-R237 PolarHBondContact OE2-NH1 3.37Å; E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.87Å; E234-L253 HydrophobicContact CG-CD2 4.15Å; E234-R256 IonicContact OE1-NH1 3.73Å |
| 235 | L | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69 | -32.7 | 174.5 | -71.4 | 172.9 | 0 | 0 | 0 | 112.8 | F227 Q231 L232 E233 F239 L253 L259 V264 W267 F268 | F227-L235 HydrophobicContact CD1-CD1 3.91Å; F227-L235 HydrophobicContact CE1-CD1 3.91Å; Q231-L235 WeakPolarHBondContact O-CB 3.41Å; Q231-L235 VanDerWaalsContact O-CD1 3.25Å; Q231-L235 WeakPolarHBondContact O-CD1 3.44Å; Q231-L235 WeakPolarHBondContact O-CG 3.4Å; Q231-L235 PolarHBondContact O-N 2.77Å; L232-L235 PolarHBondContact O-N 3.08Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.35Å; L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 3.06Å; L235-L253 HydrophobicContact CD2-CB 4.44Å; L235-L259 HydrophobicContact CD1-CD1 4.29Å; L235-V264 HydrophobicContact CD2-CG1 3.91Å; L235-V264 HydrophobicContact CD2-CG2 4.26Å; L235-W267 HydrophobicContact CB-CD2 3.99Å; L235-W267 HydrophobicContact CB-CE3 3.97Å; L235-W267 HydrophobicContact CB-CH2 3.86Å; L235-W267 HydrophobicContact CB-CZ2 3.84Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.42Å; L235-W267 HydrophobicContact CD1-CD2 3.93Å; L235-W267 HydrophobicContact CD1-CE3 4.47Å; L235-W267 HydrophobicContact CD1-CG 3.84Å; L235-W267 HydrophobicContact CD2-CE3 4.44Å; L235-W267 HydrophobicContact CG-CD2 4.43Å; L235-W267 VanDerWaalsContact O-CH2 3.28Å; L235-W267 WeakPolarHBondContact O-CH2 3.33Å; L235-W267 WeakPolarHBondContact O-CZ3 3.42Å; L235-F268 HydrophobicContact CD2-CE2 3.92Å |
| 236 | E | 96.8 | Very high | 95.1 | Very high | 60 Ų | 60 | 78.7 Ų | 78.7 | 28% | 0.28 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.4 | -41.4 | 177.3 | -69.5 | -169.5 | -175 | 0 | 0 | 112.1 | L232 E233 A238 F239 E240 W267 R271 | L232-E236 WeakPolarHBondContact O-CB 3.42Å; L232-E236 WeakPolarHBondContact O-CG 3.45Å; L232-E236 PolarHBondContact O-N 2.82Å; E233-E236 PolarHBondContact O-N 3.41Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 2.85Å; E236-F239 WeakPolarHBondContact O-CA 3.49Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.39Å; E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.23Å; E236-W267 HydrophobicContact CG-CH2 3.59Å; E236-W267 HydrophobicContact CG-CZ2 3.47Å; E236-W267 VanDerWaalsContact CG-CZ2 3.47Å; E236-R271 IonicContact OE1-CZ 3.33Å; E236-R271 IonicContact OE1-NE 3.94Å; E236-R271 IonicContact OE1-NH1 2.66Å; E236-R271 PolarHBondContact OE1-NH1 3.44Å; E236-R271 IonicContact OE1-NH2 3.92Å; E236-R271 IonicContact OE2-CZ 3.14Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 3.11Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 3.35Å |
| 237 | R | 96.5 | Very high | 95.6 | Very high | 119 Ų | 119 | 76 Ų | 76 | 45% | 0.449 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -54.5 | -40.7 | 167.8 | 176.5 | 178.6 | -70.8 | 114.8 | 5.3 | 112.2 | E233 E234 R241 | E233-R237 VanDerWaalsContact O-CB 3.32Å; E233-R237 WeakPolarHBondContact O-CB 3.37Å; E233-R237 PolarHBondContact O-N 2.8Å; E233-R237 IonicContact OE1-CZ 2.74Å; E233-R237 IonicContact OE1-NH1 3.91Å; E233-R237 PolarHBondContact OE1-NH1 3.04Å; E233-R237 IonicContact OE1-NH2 3.24Å; E233-R237 PolarHBondContact OE1-NH2 2.77Å; E234-R237 IonicContact OE2-NH1 2.68Å; E234-R237 PolarHBondContact OE2-NH1 3.37Å; R237-R241 PolarHBondContact O-N 3.05Å |
| 238 | A | 96.1 | Very high | 95.8 | Very high | 14 Ų | 14 | 81.2 Ų | 81.2 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.3 | -34 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E234 E236 E240 R241 T242 L253 F268 | E234-A238 VanDerWaalsContact O-CB 3.27Å; E234-A238 WeakPolarHBondContact O-CB 3.25Å; E234-A238 PolarHBondContact O-N 2.87Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 2.85Å; A238-E240 VanDerWaalsContact C-N 3.34Å; A238-R241 PolarHBondContact O-N 3Å; A238-T242 PolarHBondContact O-N 3.15Å; A238-L253 HydrophobicContact CB-CD1 3.57Å; A238-L253 HydrophobicContact CB-CD2 3.59Å; A238-L253 HydrophobicContact CB-CG 4.23Å; A238-F268 HydrophobicContact CB-CZ 4.06Å |
| 239 | F | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 80.7 Ų | 80.7 | 1% | 0.013 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -35.6 | 176.5 | -172.9 | -97.3 | 0 | 0 | 0 | 112.7 | L235 E236 T242 H243 W267 F268 R271 R272 W275 | L235-F239 WeakPolarHBondContact O-CB 3.13Å; L235-F239 PolarHBondContact O-N 3.06Å; E236-F239 WeakPolarHBondContact O-CA 3.49Å; E236-F239 WeakPolarHBondContact O-CB 3.49Å; E236-F239 PolarHBondContact O-N 3.39Å; F239-T242 CarbonylContact O-C 3.58Å; F239-T242 PolarHBondContact O-N 2.91Å; F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.34Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.33Å; F239-H243 AromaticContact CE2-CD2 3.78Å; F239-H243 HydrophobicContact CZ-CB 4.43Å; F239-H243 AromaticContact CZ-CD2 3.28Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.4Å; F239-H243 VanDerWaalsContact O-CD2 3.25Å; F239-H243 PolarHBondContact O-N 3.17Å; F239-W267 HydrophobicContact CB-CH2 4.07Å; F239-W267 HydrophobicContact CB-CZ3 4.07Å; F239-W267 HydrophobicContact CD2-CZ3 4.14Å; F239-W267 HydrophobicContact CG-CH2 4.43Å; F239-W267 HydrophobicContact CG-CZ3 4.38Å; F239-F268 HydrophobicContact CB-CE1 4.02Å; F239-F268 HydrophobicContact CB-CZ 4.4Å; F239-F268 AromaticContact CD2-CD1 3.72Å; F239-F268 HydrophobicContact CD2-CD1 3.72Å; F239-F268 AromaticContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CE2-CD1 4.41Å; F239-F268 HydrophobicContact CG-CE1 4.37Å; F239-R271 HydrophobicContact CD1-CG 3.79Å; F239-R271 HydrophobicContact CD2-CB 4.03Å; F239-R271 HydrophobicContact CD2-CG 3.5Å; F239-R271 VanDerWaalsContact CD2-CG 3.5Å; F239-R271 HydrophobicContact CE1-CG 3.68Å; F239-R271 HydrophobicContact CE2-CB 3.8Å; F239-R271 HydrophobicContact CE2-CG 3.4Å; F239-R271 VanDerWaalsContact CE2-CG 3.4Å; F239-R271 HydrophobicContact CG-CG 3.7Å; F239-R271 HydrophobicContact CZ-CB 4.24Å; F239-R271 HydrophobicContact CZ-CG 3.51Å; F239-R272 HydrophobicContact CE2-CG 3.82Å; F239-R272 HydrophobicContact CZ-CG 4.29Å; F239-W275 HydrophobicContact CE1-CD2 4.48Å; F239-W275 HydrophobicContact CE1-CE3 4.43Å; F239-W275 HydrophobicContact CZ-CB 4.19Å; F239-W275 HydrophobicContact CZ-CG 4.43Å |
| 240 | E | 96.1 | Very high | 96.1 | Very high | 153 Ų | 153 | 78.8 Ų | 78.8 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.8 | -38.2 | 173.6 | -70.7 | 168.8 | 177.3 | 0 | 0 | 112.1 | E236 A238 | E236-E240 WeakPolarHBondContact O-CG 3.49Å; E236-E240 PolarHBondContact O-N 3.23Å; A238-E240 VanDerWaalsContact C-N 3.34Å |
| 241 | R | 95.2 | Very high | 96.3 | Very high | 221 Ų | 221 | 75.7 Ų | 75.7 | 83% | 0.834 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.6 | -40.6 | 173.6 | -68.8 | -176.5 | 64.3 | 82 | -0.4 | 112.7 | R237 A238 | R237-R241 PolarHBondContact O-N 3.05Å; A238-R241 PolarHBondContact O-N 3Å |
| 242 | T | 94.4 | Very high | 96.3 | Very high | 53 Ų | 53 | 78.1 Ų | 78.1 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | trans | -155.1 | 128.7 | 171.9 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | A238 F239 Y244 P245 F268 | A238-T242 PolarHBondContact O-N 3.15Å; F239-T242 CarbonylContact O-C 3.58Å; F239-T242 PolarHBondContact O-N 2.91Å; T242-Y244 PolarHBondContact O-N 2.9Å; T242-Y244 VanDerWaalsContact OG1-C 3.26Å; T242-Y244 PolarHBondContact OG1-N 2.89Å; T242-Y244 PolarHBondContact OG1-O 3.35Å; T242-P245 HydrophobicContact CG2-CB 4.03Å; T242-F268 WeakPolarHBondContact O-CE1 3.22Å | ||
| 243 | H | 95.4 | Very high | 96.3 | Very high | 65 Ų | 65 | 75.7 Ų | 75.7 | 30% | 0.301 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -66.7 | -19.3 | 170 | -61.5 | 143.6 | 0 | 0 | 0 | 113.1 | F239 R272 W275 | F239-H243 AromaticContact CD1-CD2 3.61Å; F239-H243 AromaticContact CE1-CD2 3.2Å; F239-H243 WeakPolarHBondContact CE1-CD2 3.34Å; F239-H243 AromaticContact CE1-NE2 3.51Å; F239-H243 HydrophobicContact CE2-CB 4.33Å; F239-H243 AromaticContact CE2-CD2 3.78Å; F239-H243 HydrophobicContact CZ-CB 4.43Å; F239-H243 AromaticContact CZ-CD2 3.28Å; F239-H243 WeakPolarHBondContact CZ-CD2 3.35Å; F239-H243 AromaticContact CZ-NE2 3.95Å; F239-H243 PolarHBondContact O-CD2 3.4Å; F239-H243 VanDerWaalsContact O-CD2 3.25Å; F239-H243 PolarHBondContact O-N 3.17Å; H243-R272 HydrophobicContact CB-CG 4.49Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.28Å; H243-R272 PolarHBondContact O-NH1 3.15Å; H243-W275 AromaticContact CE1-CE2 3.99Å; H243-W275 AromaticContact CE1-NE1 3.92Å |
| 244 | Y | 96.4 | Very high | 96.3 | Very high | 161 Ų | 161 | 71 Ų | 71 | 63% | 0.631 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -132.5 | 73.8 | -176.2 | -65.5 | -90.2 | 0 | 0 | 0 | 111 | T242 R272 | T242-Y244 PolarHBondContact O-N 2.9Å; T242-Y244 VanDerWaalsContact OG1-C 3.26Å; T242-Y244 PolarHBondContact OG1-N 2.89Å; T242-Y244 PolarHBondContact OG1-O 3.35Å; Y244-R272 VanDerWaalsContact CE1-NE 3.29Å |
| 245 | P | 96.1 | Very high | 96.4 | Very high | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | trans | -65.6 | 141.5 | 172.1 | 29.3 | -36.7 | 0 | 0 | 0 | 111.2 | T242 T249 R250 F268 | T242-P245 HydrophobicContact CG2-CB 4.03Å; P245-T249 HydrophobicContact CB-CG2 3.62Å; P245-R250 HydrophobicContact CB-CG 3.86Å; P245-R250 HydrophobicContact CG-CG 3.65Å; P245-R250 PolarHBondContact O-NH1 3.41Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.08Å; P245-F268 HydrophobicContact CG-CE1 3.5Å; P245-F268 VanDerWaalsContact CG-CE1 3.5Å; P245-F268 HydrophobicContact CG-CE2 4.05Å; P245-F268 HydrophobicContact CG-CG 3.86Å; P245-F268 HydrophobicContact CG-CZ 3.78Å | ||
| 246 | D | 97 | Very high | 96.3 | Very high | 71 Ų | 71 | 82.1 Ų | 82.1 | 38% | 0.38 | 37% | 0.365 | S | S | . | . | trans | -73.3 | -171 | 176.9 | 82.7 | -51.5 | 0 | 0 | 0 | 111.7 | Y248 T249 R250 | D246-Y248 WeakPolarHBondContact OD2-CD2 3.26Å; D246-Y248 PolarHBondContact OD2-N 3.21Å; D246-T249 WeakPolarHBondContact OD1-CB 3.2Å; D246-T249 PolarHBondContact OD1-N 2.73Å; D246-T249 PolarHBondContact OD1-OG1 2.73Å; D246-R250 VanDerWaalsContact O-CG 3.23Å; D246-R250 WeakPolarHBondContact O-CG 3.1Å; D246-R250 VanDerWaalsContact O-CZ 3.3Å; D246-R250 PolarHBondContact O-N 2.72Å; D246-R250 PolarHBondContact O-NH1 3.33Å | ||
| 247 | I | 96.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 34% | 0.338 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.4 | -49.8 | -179.7 | -175.5 | 61 | 0 | 0 | 0 | 111.5 | T249 R250 E251 E261 | I247-T249 PolarHBondContact O-N 3.28Å; I247-R250 PolarHBondContact O-N 2.9Å; I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.25Å; I247-E261 HydrophobicContact CD1-CG 4Å |
| 248 | Y | 97.1 | Very high | 96.1 | Very high | 169 Ų | 169 | 82.8 Ų | 82.8 | 66% | 0.663 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -65.7 | -40.9 | -174.3 | -54.4 | -61.8 | 0 | 0 | 0 | 111.6 | D246 R250 E251 E252 | D246-Y248 WeakPolarHBondContact OD2-CD2 3.26Å; D246-Y248 PolarHBondContact OD2-N 3.21Å; Y248-R250 VanDerWaalsContact C-N 3.29Å; Y248-R250 PolarHBondContact O-N 3.35Å; Y248-E251 PolarHBondContact O-N 3.15Å; Y248-E252 PolarHBondContact O-N 3.05Å |
| 249 | T | 96.1 | Very high | 96 | Very high | 56 Ų | 56 | 83.6 Ų | 83.6 | 34% | 0.344 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 174.3 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | P245 D246 I247 L253 | P245-T249 HydrophobicContact CB-CG2 3.62Å; D246-T249 WeakPolarHBondContact OD1-CB 3.2Å; D246-T249 PolarHBondContact OD1-N 2.73Å; D246-T249 PolarHBondContact OD1-OG1 2.73Å; I247-T249 PolarHBondContact O-N 3.28Å; T249-L253 HydrophobicContact CG2-CD1 4.06Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.49Å; T249-L253 WeakPolarHBondContact O-CG 3.44Å; T249-L253 PolarHBondContact O-N 3.38Å; T249-L253 VanDerWaalsContact O-N 3.09Å |
| 250 | R | 97 | Very high | 96 | Very high | 43 Ų | 43 | 87.6 Ų | 87.6 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -75.7 | -27.9 | 177.4 | -67.2 | -174.8 | -37.8 | -91 | -6.5 | 112.8 | P245 D246 I247 Y248 A254 E261 V264 | P245-R250 HydrophobicContact CB-CG 3.86Å; P245-R250 HydrophobicContact CG-CG 3.65Å; P245-R250 PolarHBondContact O-NH1 3.41Å; D246-R250 VanDerWaalsContact O-CG 3.23Å; D246-R250 WeakPolarHBondContact O-CG 3.1Å; D246-R250 VanDerWaalsContact O-CZ 3.3Å; D246-R250 PolarHBondContact O-N 2.72Å; D246-R250 PolarHBondContact O-NH1 3.33Å; I247-R250 PolarHBondContact O-N 2.9Å; Y248-R250 VanDerWaalsContact C-N 3.29Å; Y248-R250 PolarHBondContact O-N 3.35Å; R250-A254 VanDerWaalsContact O-CB 3.22Å; R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 3.47Å; R250-E261 HydrophobicContact CB-CG 4.05Å; R250-E261 IonicContact CZ-OE1 2.85Å; R250-E261 IonicContact NE-OE1 3.21Å; R250-E261 PolarHBondContact NE-OE1 3.09Å; R250-E261 IonicContact NH2-OE1 3.47Å; R250-E261 PolarHBondContact NH2-OE1 2.91Å; R250-V264 HydrophobicContact CB-CG1 4.07Å; R250-V264 HydrophobicContact CG-CG1 4.07Å |
| 251 | E | 97.5 | Very high | 96 | Very high | 84 Ų | 84 | 82.2 Ų | 82.2 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -74.6 | -41.2 | 173.7 | -71 | 173.7 | 161.2 | 0 | 0 | 111.8 | I247 Y248 A254 Q255 E261 | I247-E251 HydrophobicContact CD1-CG 4.22Å; I247-E251 HydrophobicContact CG1-CG 4.42Å; I247-E251 WeakPolarHBondContact O-CG 3.48Å; I247-E251 PolarHBondContact O-N 3.25Å; Y248-E251 PolarHBondContact O-N 3.15Å; E251-A254 WeakPolarHBondContact O-CB 3.47Å; E251-A254 PolarHBondContact O-N 2.97Å; E251-Q255 WeakPolarHBondContact O-CG 3.23Å; E251-Q255 PolarHBondContact O-N 2.85Å; E251-Q255 PolarHBondContact O-NE2 3.41Å; E251-E261 HydrophobicContact CG-CB 4.33Å; E251-E261 HydrophobicContact CG-CG 4.03Å |
| 252 | E | 96.4 | Very high | 96 | Very high | 80 Ų | 80 | 73.7 Ų | 73.7 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.5 | -51.3 | 168.2 | -88.5 | -65.6 | 106.9 | 0 | 0 | 112 | Y248 A254 Q255 R256 | Y248-E252 PolarHBondContact O-N 3.05Å; E252-A254 VanDerWaalsContact C-N 3.28Å; E252-A254 PolarHBondContact O-N 3.29Å; E252-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact OE1-NE2 3.01Å; E252-R256 WeakPolarHBondContact O-CG 3.38Å; E252-R256 PolarHBondContact O-N 2.68Å; E252-R256 IonicContact OE2-CZ 2.72Å; E252-R256 IonicContact OE2-NE 3.81Å; E252-R256 PolarHBondContact OE2-NE 2.91Å; E252-R256 VanDerWaalsContact OE2-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.16Å; E252-R256 PolarHBondContact OE2-NH2 3.09Å |
| 253 | L | 96.3 | Very high | 96 | Very high | 9 Ų | 9 | 75.9 Ų | 75.9 | 5% | 0.047 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.6 | -31.6 | 178.1 | -68.5 | 167.4 | 0 | 0 | 0 | 112.5 | E234 L235 A238 T249 A257 V264 F268 | E234-L253 HydrophobicContact CG-CD2 4.15Å; L235-L253 HydrophobicContact CD2-CB 4.44Å; A238-L253 HydrophobicContact CB-CD1 3.57Å; A238-L253 HydrophobicContact CB-CD2 3.59Å; A238-L253 HydrophobicContact CB-CG 4.23Å; T249-L253 HydrophobicContact CG2-CD1 4.06Å; T249-L253 WeakPolarHBondContact O-CB 3.29Å; T249-L253 WeakPolarHBondContact O-CD1 3.49Å; T249-L253 WeakPolarHBondContact O-CG 3.44Å; T249-L253 PolarHBondContact O-N 3.38Å; T249-L253 VanDerWaalsContact O-N 3.09Å; L253-A257 WeakPolarHBondContact O-CB 3.18Å; L253-A257 PolarHBondContact O-N 3.37Å; L253-V264 HydrophobicContact CB-CG1 4.13Å; L253-V264 HydrophobicContact CD1-CG1 4.45Å; L253-F268 HydrophobicContact CD1-CE2 3.91Å; L253-F268 HydrophobicContact CD1-CZ 4.04Å |
| 254 | A | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R250 E251 E252 K258 L259 V264 | R250-A254 VanDerWaalsContact O-CB 3.22Å; R250-A254 WeakPolarHBondContact O-CB 3.33Å; R250-A254 PolarHBondContact O-N 3.47Å; E251-A254 WeakPolarHBondContact O-CB 3.47Å; E251-A254 PolarHBondContact O-N 2.97Å; E252-A254 VanDerWaalsContact C-N 3.28Å; E252-A254 PolarHBondContact O-N 3.29Å; A254-K258 PolarHBondContact O-N 2.93Å; A254-L259 CarbonylContact C-O 3.18Å; A254-L259 WeakPolarHBondContact CB-O 3.36Å; A254-L259 PolarHBondContact O-N 2.83Å; A254-L259 VanDerWaalsContact O-O 3.06Å; A254-V264 HydrophobicContact CB-CG2 3.93Å |
| 255 | Q | 96.6 | Very high | 96.1 | Very high | 133 Ų | 133 | 69.6 Ų | 69.6 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -60.4 | -54 | 174.8 | -69.5 | 172.5 | 88 | 0 | 0 | 111.4 | E251 E252 A257 K258 | E251-Q255 WeakPolarHBondContact O-CG 3.23Å; E251-Q255 PolarHBondContact O-N 2.85Å; E251-Q255 PolarHBondContact O-NE2 3.41Å; E252-Q255 PolarHBondContact O-N 3.03Å; E252-Q255 PolarHBondContact OE1-NE2 3.01Å; Q255-A257 PolarHBondContact O-N 2.84Å; Q255-K258 PolarHBondContact O-N 3.18Å |
| 256 | R | 94.7 | Very high | 96.1 | Very high | 150 Ų | 150 | 72.2 Ų | 72.2 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -59 | -48.3 | -178.3 | -66.4 | 170.4 | -166.9 | -147.4 | 0.2 | 112.4 | E234 E252 K258 | E234-R256 IonicContact OE1-NH1 3.73Å; E252-R256 WeakPolarHBondContact O-CG 3.38Å; E252-R256 PolarHBondContact O-N 2.68Å; E252-R256 IonicContact OE2-CZ 2.72Å; E252-R256 IonicContact OE2-NE 3.81Å; E252-R256 PolarHBondContact OE2-NE 2.91Å; E252-R256 VanDerWaalsContact OE2-NE 3.15Å; E252-R256 IonicContact OE2-NH2 3.16Å; E252-R256 PolarHBondContact OE2-NH2 3.09Å; R256-K258 PolarHBondContact O-N 3Å |
| 257 | A | 93.6 | Very high | 96.1 | Very high | 8 Ų | 8 | 69.8 Ų | 69.8 | 7% | 0.066 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -75.3 | -5.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q231 L253 Q255 L259 | Q231-A257 HydrophobicContact CG-CB 4.21Å; Q231-A257 WeakPolarHBondContact CG-O 3.45Å; Q231-A257 PolarHBondContact NE2-O 3.49Å; L253-A257 WeakPolarHBondContact O-CB 3.18Å; L253-A257 PolarHBondContact O-N 3.37Å; Q255-A257 PolarHBondContact O-N 2.84Å; A257-L259 HydrophobicContact CB-CB 4.48Å; A257-L259 HydrophobicContact CB-CD1 3.77Å; A257-L259 HydrophobicContact CB-CG 3.98Å |
| 258 | K | 95.4 | Very high | 96.1 | Very high | 184 Ų | 184 | 66.7 Ų | 66.7 | 80% | 0.8 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 48.8 | -174.1 | -57.6 | 169.5 | -174 | 165.5 | 0 | 111.9 | A254 Q255 R256 | A254-K258 PolarHBondContact O-N 2.93Å; Q255-K258 PolarHBondContact O-N 3.18Å; R256-K258 PolarHBondContact O-N 3Å |
| 259 | L | 94.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 61.7 Ų | 61.7 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -126.7 | 173.6 | -179.5 | -65 | 175.6 | 0 | 0 | 0 | 110.2 | T225 F227 L235 A254 A257 R263 | T225-L259 HydrophobicContact CG2-CD2 4.14Å; F227-L259 HydrophobicContact CD1-CD1 3.78Å; F227-L259 HydrophobicContact CE1-CD1 3.65Å; L235-L259 HydrophobicContact CD1-CD1 4.29Å; A254-L259 CarbonylContact C-O 3.18Å; A254-L259 WeakPolarHBondContact CB-O 3.36Å; A254-L259 PolarHBondContact O-N 2.83Å; A254-L259 VanDerWaalsContact O-O 3.06Å; A257-L259 HydrophobicContact CB-CB 4.48Å; A257-L259 HydrophobicContact CB-CD1 3.77Å; A257-L259 HydrophobicContact CB-CG 3.98Å; L259-R263 HydrophobicContact CB-CB 4.25Å |
| 260 | T | 95.8 | Very high | 96.1 | Very high | 86 Ų | 86 | 63 Ų | 63 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | trans | -90.2 | 152.5 | 165.6 | 69.2 | 0 | 0 | 0 | 0 | 110.8 | A262 R263 V264 | T260-A262 PolarHBondContact O-N 3.02Å; T260-A262 VanDerWaalsContact O-N 3.17Å; T260-R263 WeakPolarHBondContact O-CA 3.33Å; T260-R263 WeakPolarHBondContact O-CB 3.28Å; T260-R263 PolarHBondContact O-N 2.66Å; T260-V264 PolarHBondContact O-N 3.25Å | ||
| 261 | E | 96.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 64.1 Ų | 64.1 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -47.9 | -44.7 | 173.5 | -173.6 | -75.3 | 160.9 | 0 | 0 | 110.8 | I247 R250 E251 R263 V264 Q265 | I247-E261 HydrophobicContact CD1-CG 4Å; R250-E261 HydrophobicContact CB-CG 4.05Å; R250-E261 IonicContact CZ-OE1 2.85Å; R250-E261 IonicContact NE-OE1 3.21Å; R250-E261 PolarHBondContact NE-OE1 3.09Å; R250-E261 IonicContact NH2-OE1 3.47Å; R250-E261 PolarHBondContact NH2-OE1 2.91Å; E251-E261 HydrophobicContact CG-CB 4.33Å; E251-E261 HydrophobicContact CG-CG 4.03Å; E261-R263 PolarHBondContact O-N 2.98Å; E261-R263 VanDerWaalsContact O-N 3.08Å; E261-V264 CarbonylContact O-C 3.57Å; E261-V264 WeakPolarHBondContact O-CA 3.27Å; E261-V264 WeakPolarHBondContact O-CB 3.32Å; E261-V264 PolarHBondContact O-N 3.08Å; E261-Q265 WeakPolarHBondContact O-CB 3.45Å; E261-Q265 PolarHBondContact O-N 3.23Å |
| 262 | A | 95.3 | Very high | 96 | Very high | 41 Ų | 41 | 62.5 Ų | 62.5 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -69.3 | -5.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T260 V266 | T260-A262 PolarHBondContact O-N 3.02Å; T260-A262 VanDerWaalsContact O-N 3.17Å; A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å |
| 263 | R | 95.6 | Very high | 95.8 | Very high | 100 Ų | 100 | 60.4 Ų | 60.4 | 38% | 0.377 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -88.5 | -44.3 | 162.1 | -61.9 | -59.5 | 77.9 | 150.7 | 5 | 110.7 | T225 L259 T260 E261 V266 W267 | T225-R263 HydrophobicContact CG2-CG 4.48Å; T225-R263 VanDerWaalsContact OG1-CD 3.31Å; T225-R263 WeakPolarHBondContact OG1-CD 3.22Å; L259-R263 HydrophobicContact CB-CB 4.25Å; T260-R263 WeakPolarHBondContact O-CA 3.33Å; T260-R263 WeakPolarHBondContact O-CB 3.28Å; T260-R263 PolarHBondContact O-N 2.66Å; E261-R263 PolarHBondContact O-N 2.98Å; E261-R263 VanDerWaalsContact O-N 3.08Å; R263-V266 PolarHBondContact O-N 2.58Å; R263-W267 WeakPolarHBondContact O-CB 3.43Å; R263-W267 PolarHBondContact O-N 2.9Å |
| 264 | V | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 110.6 | L235 R250 L253 A254 T260 E261 V266 W267 F268 | L235-V264 HydrophobicContact CD2-CG1 3.91Å; L235-V264 HydrophobicContact CD2-CG2 4.26Å; R250-V264 HydrophobicContact CB-CG1 4.07Å; R250-V264 HydrophobicContact CG-CG1 4.07Å; L253-V264 HydrophobicContact CB-CG1 4.13Å; L253-V264 HydrophobicContact CD1-CG1 4.45Å; A254-V264 HydrophobicContact CB-CG2 3.93Å; T260-V264 PolarHBondContact O-N 3.25Å; E261-V264 CarbonylContact O-C 3.57Å; E261-V264 WeakPolarHBondContact O-CA 3.27Å; E261-V264 WeakPolarHBondContact O-CB 3.32Å; E261-V264 PolarHBondContact O-N 3.08Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.94Å; V264-W267 WeakPolarHBondContact O-CB 3.44Å; V264-W267 PolarHBondContact O-N 3.32Å; V264-W267 VanDerWaalsContact O-N 3.08Å; V264-F268 HydrophobicContact CG1-CD2 3.69Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 3.18Å |
| 265 | Q | 96.8 | Very high | 95.3 | Very high | 94 Ų | 94 | 73.6 Ų | 73.6 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -54.4 | -45.4 | 176.1 | -167.4 | -157.3 | 56.1 | 0 | 0 | 112.4 | E261 S269 | E261-Q265 WeakPolarHBondContact O-CB 3.45Å; E261-Q265 PolarHBondContact O-N 3.23Å; Q265-S269 WeakPolarHBondContact O-CB 3.48Å; Q265-S269 PolarHBondContact O-N 2.9Å |
| 266 | V | 96.4 | Very high | 95 | Very high | 62 Ų | 62 | 74.3 Ų | 74.3 | 38% | 0.376 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.7 | -38.4 | 177.2 | 169.2 | 0 | 0 | 0 | 0 | 111.3 | A262 R263 V264 N270 | A262-V266 VanDerWaalsContact O-CG2 3.23Å; A262-V266 WeakPolarHBondContact O-CG2 3.34Å; R263-V266 PolarHBondContact O-N 2.58Å; V264-V266 VanDerWaalsContact C-N 3.32Å; V264-V266 PolarHBondContact O-N 2.94Å; V266-N270 WeakPolarHBondContact O-CB 3.42Å; V266-N270 PolarHBondContact O-N 2.86Å; V266-N270 PolarHBondContact O-ND2 3.29Å |
| 267 | W | 96.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 74.9 Ų | 74.9 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.5 | -51.5 | 175.1 | -176.3 | 102.9 | 0 | 0 | 0 | 110.8 | F227 L232 L235 E236 F239 R263 V264 S269 N270 R271 | F227-W267 HydrophobicContact CE1-CB 4.21Å; F227-W267 AromaticContact CE1-CD1 3.72Å; F227-W267 HydrophobicContact CE1-CG 4.25Å; F227-W267 AromaticContact CE2-CD1 3.99Å; F227-W267 HydrophobicContact CZ-CB 4.02Å; F227-W267 AromaticContact CZ-CD1 3.67Å; F227-W267 HydrophobicContact CZ-CG 4.22Å; L232-W267 VanDerWaalsContact CD2-NE1 3.3Å; L235-W267 HydrophobicContact CB-CD2 3.99Å; L235-W267 HydrophobicContact CB-CE3 3.97Å; L235-W267 HydrophobicContact CB-CH2 3.86Å; L235-W267 HydrophobicContact CB-CZ2 3.84Å; L235-W267 HydrophobicContact CB-CZ3 3.92Å; L235-W267 HydrophobicContact CD1-CB 4.42Å; L235-W267 HydrophobicContact CD1-CD2 3.93Å; L235-W267 HydrophobicContact CD1-CE3 4.47Å; L235-W267 HydrophobicContact CD1-CG 3.84Å; L235-W267 HydrophobicContact CD2-CE3 4.44Å; L235-W267 HydrophobicContact CG-CD2 4.43Å; L235-W267 VanDerWaalsContact O-CH2 3.28Å; L235-W267 WeakPolarHBondContact O-CH2 3.33Å; L235-W267 WeakPolarHBondContact O-CZ3 3.42Å; E236-W267 HydrophobicContact CG-CH2 3.59Å; E236-W267 HydrophobicContact CG-CZ2 3.47Å; E236-W267 VanDerWaalsContact CG-CZ2 3.47Å; F239-W267 HydrophobicContact CB-CH2 4.07Å; F239-W267 HydrophobicContact CB-CZ3 4.07Å; F239-W267 HydrophobicContact CD2-CZ3 4.14Å; F239-W267 HydrophobicContact CG-CH2 4.43Å; F239-W267 HydrophobicContact CG-CZ3 4.38Å; R263-W267 WeakPolarHBondContact O-CB 3.43Å; R263-W267 PolarHBondContact O-N 2.9Å; V264-W267 WeakPolarHBondContact O-CB 3.44Å; V264-W267 PolarHBondContact O-N 3.32Å; V264-W267 VanDerWaalsContact O-N 3.08Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.01Å; W267-N270 CarbonylContact O-C 3.49Å; W267-N270 WeakPolarHBondContact O-CA 3.38Å; W267-N270 WeakPolarHBondContact O-CB 3.22Å; W267-N270 PolarHBondContact O-N 3.01Å; W267-R271 HydrophobicContact CE3-CB 4.16Å; W267-R271 HydrophobicContact CH2-CB 3.88Å; W267-R271 HydrophobicContact CH2-CG 3.62Å; W267-R271 HydrophobicContact CZ2-CB 4.28Å; W267-R271 HydrophobicContact CZ2-CG 4.18Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.95Å; W267-R271 PolarHBondContact O-N 3.31Å |
| 268 | F | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 178.8 | -92 | -91.9 | 0 | 0 | 0 | 112.2 | L235 A238 F239 T242 P245 L253 V264 N270 R271 R272 | L235-F268 HydrophobicContact CD2-CE2 3.92Å; A238-F268 HydrophobicContact CB-CZ 4.06Å; F239-F268 HydrophobicContact CB-CE1 4.02Å; F239-F268 HydrophobicContact CB-CZ 4.4Å; F239-F268 AromaticContact CD2-CD1 3.72Å; F239-F268 HydrophobicContact CD2-CD1 3.72Å; F239-F268 AromaticContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CD2-CE1 3.74Å; F239-F268 HydrophobicContact CE2-CD1 4.41Å; F239-F268 HydrophobicContact CG-CE1 4.37Å; T242-F268 WeakPolarHBondContact O-CE1 3.22Å; P245-F268 VanDerWaalsContact CD-CE1 3.46Å; P245-F268 HydrophobicContact CG-CD1 3.55Å; P245-F268 HydrophobicContact CG-CD2 4.08Å; P245-F268 HydrophobicContact CG-CE1 3.5Å; P245-F268 VanDerWaalsContact CG-CE1 3.5Å; P245-F268 HydrophobicContact CG-CE2 4.05Å; P245-F268 HydrophobicContact CG-CG 3.86Å; P245-F268 HydrophobicContact CG-CZ 3.78Å; L253-F268 HydrophobicContact CD1-CE2 3.91Å; L253-F268 HydrophobicContact CD1-CZ 4.04Å; V264-F268 HydrophobicContact CG1-CD2 3.69Å; V264-F268 HydrophobicContact CG1-CE2 3.8Å; V264-F268 WeakPolarHBondContact O-CD2 3.36Å; V264-F268 PolarHBondContact O-N 3.18Å; F268-N270 PolarHBondContact O-N 3.32Å; F268-R271 PolarHBondContact O-N 3.48Å; F268-R272 WeakPolarHBondContact O-CB 3.09Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å; F268-R272 PolarHBondContact O-N 2.73Å |
| 269 | S | 96.7 | Very high | 92.5 | Very high | 63 Ų | 63 | 73.1 Ų | 73.1 | 44% | 0.441 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 173.5 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | Q265 W267 A273 | Q265-S269 WeakPolarHBondContact O-CB 3.48Å; Q265-S269 PolarHBondContact O-N 2.9Å; W267-S269 VanDerWaalsContact C-N 3.33Å; W267-S269 PolarHBondContact O-N 3.01Å; S269-A273 WeakPolarHBondContact O-CB 3.38Å; S269-A273 PolarHBondContact O-N 3.21Å; S269-A273 VanDerWaalsContact O-N 3.08Å |
| 270 | N | 96.1 | Very high | 91 | Very high | 84 Ų | 84 | 72.9 Ų | 72.9 | 45% | 0.449 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.7 | -39.3 | 175.9 | -79.6 | -73.7 | 0 | 0 | 0 | 113 | V266 W267 F268 A273 R274 | V266-N270 WeakPolarHBondContact O-CB 3.42Å; V266-N270 PolarHBondContact O-N 2.86Å; V266-N270 PolarHBondContact O-ND2 3.29Å; W267-N270 CarbonylContact O-C 3.49Å; W267-N270 WeakPolarHBondContact O-CA 3.38Å; W267-N270 WeakPolarHBondContact O-CB 3.22Å; W267-N270 PolarHBondContact O-N 3.01Å; F268-N270 PolarHBondContact O-N 3.32Å; N270-A273 PolarHBondContact O-N 3.18Å; N270-R274 PolarHBondContact O-N 3.25Å; N270-R274 VanDerWaalsContact O-N 3.09Å |
| 271 | R | 95.8 | Very high | 89.4 | Confident | 67 Ų | 67 | 71 Ų | 71 | 25% | 0.253 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -48.6 | 177.2 | -174 | 75.2 | 179.4 | -173.1 | -5.4 | 110.5 | E236 F239 W267 F268 A273 R274 W275 | E236-R271 IonicContact OE1-CZ 3.33Å; E236-R271 IonicContact OE1-NE 3.94Å; E236-R271 IonicContact OE1-NH1 2.66Å; E236-R271 PolarHBondContact OE1-NH1 3.44Å; E236-R271 IonicContact OE1-NH2 3.92Å; E236-R271 IonicContact OE2-CZ 3.14Å; E236-R271 IonicContact OE2-NH1 2.83Å; E236-R271 PolarHBondContact OE2-NH1 3.11Å; E236-R271 IonicContact OE2-NH2 2.93Å; E236-R271 PolarHBondContact OE2-NH2 3.35Å; F239-R271 HydrophobicContact CD1-CG 3.79Å; F239-R271 HydrophobicContact CD2-CB 4.03Å; F239-R271 HydrophobicContact CD2-CG 3.5Å; F239-R271 VanDerWaalsContact CD2-CG 3.5Å; F239-R271 HydrophobicContact CE1-CG 3.68Å; F239-R271 HydrophobicContact CE2-CB 3.8Å; F239-R271 HydrophobicContact CE2-CG 3.4Å; F239-R271 VanDerWaalsContact CE2-CG 3.4Å; F239-R271 HydrophobicContact CG-CG 3.7Å; F239-R271 HydrophobicContact CZ-CB 4.24Å; F239-R271 HydrophobicContact CZ-CG 3.51Å; W267-R271 HydrophobicContact CE3-CB 4.16Å; W267-R271 HydrophobicContact CH2-CB 3.88Å; W267-R271 HydrophobicContact CH2-CG 3.62Å; W267-R271 HydrophobicContact CZ2-CB 4.28Å; W267-R271 HydrophobicContact CZ2-CG 4.18Å; W267-R271 HydrophobicContact CZ3-CB 3.83Å; W267-R271 HydrophobicContact CZ3-CG 3.95Å; W267-R271 PolarHBondContact O-N 3.31Å; F268-R271 PolarHBondContact O-N 3.48Å; R271-A273 PolarHBondContact O-N 2.88Å; R271-R274 PolarHBondContact O-N 3.45Å; R271-W275 PolarHBondContact O-N 2.99Å |
| 272 | R | 95.4 | Very high | 87.5 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 19% | 0.185 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -55.5 | -36.1 | 170.9 | -74.3 | -164 | -66.8 | -87.4 | 5 | 113.1 | F239 H243 Y244 F268 R276 | F239-R272 HydrophobicContact CE2-CG 3.82Å; F239-R272 HydrophobicContact CZ-CG 4.29Å; H243-R272 HydrophobicContact CB-CG 4.49Å; H243-R272 WeakPolarHBondContact O-CD 3.2Å; H243-R272 WeakPolarHBondContact O-CG 3.28Å; H243-R272 PolarHBondContact O-NH1 3.15Å; Y244-R272 VanDerWaalsContact CE1-NE 3.29Å; F268-R272 WeakPolarHBondContact O-CB 3.09Å; F268-R272 WeakPolarHBondContact O-CG 3.48Å; F268-R272 PolarHBondContact O-N 2.73Å; R272-R276 PolarHBondContact O-N 3.4Å; R272-R276 VanDerWaalsContact O-N 3.15Å; R272-R276 PolarHBondContact O-NE 2.96Å |
| 273 | A | 93.8 | Very high | 85.7 | Confident | 36 Ų | 36 | 79 Ų | 79 | 30% | 0.298 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.9 | -22 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | S269 N270 R271 K277 | S269-A273 WeakPolarHBondContact O-CB 3.38Å; S269-A273 PolarHBondContact O-N 3.21Å; S269-A273 VanDerWaalsContact O-N 3.08Å; N270-A273 PolarHBondContact O-N 3.18Å; R271-A273 PolarHBondContact O-N 2.88Å; A273-K277 WeakPolarHBondContact O-CG 3.48Å |
| 274 | R | 91.9 | Very high | 83.9 | Confident | 168 Ų | 168 | 80.3 Ų | 80.3 | 63% | 0.634 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -81.7 | -46.6 | 168.4 | -65.1 | -180 | -165.2 | -139.1 | 10 | 111.2 | N270 R271 R276 K277 Q278 | N270-R274 PolarHBondContact O-N 3.25Å; N270-R274 VanDerWaalsContact O-N 3.09Å; R271-R274 PolarHBondContact O-N 3.45Å; R274-R276 VanDerWaalsContact C-N 3.35Å; R274-R276 PolarHBondContact O-N 3.14Å; R274-K277 WeakPolarHBondContact O-CA 3.47Å; R274-K277 WeakPolarHBondContact O-CB 3.32Å; R274-K277 PolarHBondContact O-N 2.86Å; R274-Q278 PolarHBondContact O-N 3.35Å |
| 275 | W | 90.4 | Very high | 82.1 | Confident | 125 Ų | 125 | 86 Ų | 86 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -50.7 | -51.1 | 177.9 | -178 | -103.4 | 0 | 0 | 0 | 112.3 | F239 H243 R271 K277 Q278 A279 | F239-W275 HydrophobicContact CE1-CD2 4.48Å; F239-W275 HydrophobicContact CE1-CE3 4.43Å; F239-W275 HydrophobicContact CZ-CB 4.19Å; F239-W275 HydrophobicContact CZ-CG 4.43Å; H243-W275 AromaticContact CE1-CE2 3.99Å; H243-W275 AromaticContact CE1-NE1 3.92Å; R271-W275 PolarHBondContact O-N 2.99Å; W275-K277 PolarHBondContact O-N 3.42Å; W275-Q278 PolarHBondContact O-N 3.28Å; W275-Q278 VanDerWaalsContact O-N 3.14Å; W275-A279 PolarHBondContact O-N 3.06Å |
| 276 | R | 90.1 | Very high | 80.2 | Confident | 149 Ų | 149 | 83.9 Ų | 83.9 | 56% | 0.562 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -62.5 | -25.1 | 176.8 | -76 | -178.7 | -75.9 | 105.3 | -4.4 | 114.4 | R272 R274 G280 | R272-R276 PolarHBondContact O-N 3.4Å; R272-R276 VanDerWaalsContact O-N 3.15Å; R272-R276 PolarHBondContact O-NE 2.96Å; R274-R276 VanDerWaalsContact C-N 3.35Å; R274-R276 PolarHBondContact O-N 3.14Å; R276-G280 PolarHBondContact O-N 3.21Å |
| 277 | K | 83.8 | Confident | 78.1 | Confident | 162 Ų | 162 | 87.6 Ų | 87.6 | 70% | 0.704 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -79.1 | -37.8 | 173.8 | -70.4 | -179.5 | 177.1 | -170.4 | 0 | 112.2 | A273 R274 W275 A281 | A273-K277 WeakPolarHBondContact O-CG 3.48Å; R274-K277 WeakPolarHBondContact O-CA 3.47Å; R274-K277 WeakPolarHBondContact O-CB 3.32Å; R274-K277 PolarHBondContact O-N 2.86Å; W275-K277 PolarHBondContact O-N 3.42Å; K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 2.89Å |
| 278 | Q | 77.3 | Confident | 76.1 | Confident | 113 Ų | 113 | 91.8 Ų | 91.8 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -45.9 | 173.3 | -72.4 | 167.5 | -54.1 | 0 | 0 | 110.7 | R274 W275 G280 A281 N282 | R274-Q278 PolarHBondContact O-N 3.35Å; W275-Q278 PolarHBondContact O-N 3.28Å; W275-Q278 VanDerWaalsContact O-N 3.14Å; Q278-G280 PolarHBondContact O-N 3.24Å; Q278-A281 PolarHBondContact O-N 3.29Å; Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 PolarHBondContact O-N 3.01Å; Q278-N282 PolarHBondContact O-OD1 3.17Å |
| 279 | A | 70.6 | Confident | 74 | Confident | 42 Ų | 42 | 99.2 Ų | 99.2 | 35% | 0.347 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.1 | -45.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | W275 N282 Q283 | W275-A279 PolarHBondContact O-N 3.06Å; A279-N282 PolarHBondContact O-N 3.43Å; A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.1Å |
| 280 | G | 63 | Low | 71.8 | Confident | 27 Ų | 27 | 102.9 Ų | 102.9 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R276 Q278 L284 | R276-G280 PolarHBondContact O-N 3.21Å; Q278-G280 PolarHBondContact O-N 3.24Å; G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 3.21Å |
| 281 | A | 60.6 | Low | 69.5 | Low | 47 Ų | 47 | 103.2 Ų | 103.2 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.4 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K277 Q278 Q283 L284 M285 | K277-A281 WeakPolarHBondContact O-CB 3.48Å; K277-A281 PolarHBondContact O-N 2.89Å; Q278-A281 PolarHBondContact O-N 3.29Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; A281-L284 PolarHBondContact O-N 3.42Å; A281-M285 PolarHBondContact O-N 3.28Å |
| 282 | N | 57 | Low | 67 | Low | 107 Ų | 107 | 106.6 Ų | 106.6 | 57% | 0.572 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -33.4 | 176.2 | -73.3 | 21.2 | 0 | 0 | 0 | 112 | Q278 A279 M285 A286 | Q278-N282 WeakPolarHBondContact O-CB 3.36Å; Q278-N282 PolarHBondContact O-N 3.01Å; Q278-N282 PolarHBondContact O-OD1 3.17Å; A279-N282 PolarHBondContact O-N 3.43Å; N282-M285 PolarHBondContact O-N 3.44Å; N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.5Å; N282-A286 PolarHBondContact O-N 3.32Å |
| 283 | Q | 58.7 | Low | 65 | Low | 143 Ų | 143 | 107.5 Ų | 107.5 | 67% | 0.668 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.6 | -38.3 | 171.7 | -77.6 | 177.5 | -5.3 | 0 | 0 | 112.3 | A279 A281 A286 F287 | A279-Q283 WeakPolarHBondContact O-CG 3.39Å; A279-Q283 PolarHBondContact O-N 3.1Å; A281-Q283 VanDerWaalsContact C-N 3.35Å; Q283-A286 PolarHBondContact O-N 3.05Å; Q283-F287 WeakPolarHBondContact O-CB 3.43Å; Q283-F287 PolarHBondContact O-N 2.91Å |
| 284 | L | 57.4 | Low | 62.5 | Low | 126 Ų | 126 | 107.9 Ų | 107.9 | 66% | 0.66 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.8 | -35.8 | 173.2 | -72.6 | 164.3 | 0 | 0 | 0 | 112.4 | G280 A281 N288 | G280-L284 WeakPolarHBondContact O-CG 3.31Å; G280-L284 PolarHBondContact O-N 3.21Å; A281-L284 PolarHBondContact O-N 3.42Å; L284-N288 PolarHBondContact O-N 3.3Å; L284-N288 PolarHBondContact O-ND2 2.93Å |
| 285 | M | 58.5 | Low | 60.2 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.3 | -42 | 173.3 | -70.3 | -175.5 | 169.6 | 0 | 0 | 112.4 | A281 N282 F287 N288 H289 | A281-M285 PolarHBondContact O-N 3.28Å; N282-M285 PolarHBondContact O-N 3.44Å; M285-F287 VanDerWaalsContact C-N 3.31Å; M285-F287 PolarHBondContact O-N 2.8Å; M285-N288 WeakPolarHBondContact O-CB 3.45Å; M285-N288 PolarHBondContact O-N 3.29Å; M285-N288 VanDerWaalsContact O-N 3.17Å; M285-H289 PolarHBondContact O-CD2 3.42Å; M285-H289 PolarHBondContact O-N 3.17Å |
| 286 | A | 57.1 | Low | 58.1 | Low | 50 Ų | 50 | 107.2 Ų | 107.2 | 41% | 0.413 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.7 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | N282 Q283 N288 H289 L290 | N282-A286 VanDerWaalsContact O-CB 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.5Å; N282-A286 PolarHBondContact O-N 3.32Å; Q283-A286 PolarHBondContact O-N 3.05Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.13Å; A286-H289 CarbonylContact O-C 3.52Å; A286-H289 PolarHBondContact O-N 3.45Å; A286-L290 PolarHBondContact O-N 3.43Å |
| 287 | F | 52.3 | Low | 56.1 | Low | 140 Ų | 140 | 106.6 Ų | 106.6 | 61% | 0.614 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.3 | -39.1 | 174 | -172.6 | -98.4 | 0 | 0 | 0 | 112.3 | Q283 M285 H289 L290 | Q283-F287 WeakPolarHBondContact O-CB 3.43Å; Q283-F287 PolarHBondContact O-N 2.91Å; M285-F287 VanDerWaalsContact C-N 3.31Å; M285-F287 PolarHBondContact O-N 2.8Å; F287-H289 PolarHBondContact O-N 3.48Å; F287-L290 PolarHBondContact O-N 3.02Å |
| 288 | N | 53.5 | Low | 54.5 | Low | 108 Ų | 108 | 104.9 Ų | 104.9 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -23 | 173.7 | -67.2 | -21.9 | 0 | 0 | 0 | 113.4 | L284 M285 A286 | L284-N288 PolarHBondContact O-N 3.3Å; L284-N288 PolarHBondContact O-ND2 2.93Å; M285-N288 WeakPolarHBondContact O-CB 3.45Å; M285-N288 PolarHBondContact O-N 3.29Å; M285-N288 VanDerWaalsContact O-N 3.17Å; A286-N288 VanDerWaalsContact C-N 3.33Å; A286-N288 PolarHBondContact O-N 3.13Å |
| 289 | H | 53.2 | Low | 52.9 | Low | 158 Ų | 158 | 102.4 Ų | 102.4 | 73% | 0.731 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -95 | -11.8 | 177.7 | -68.6 | -61.1 | 0 | 0 | 0 | 114.1 | M285 A286 F287 | M285-H289 PolarHBondContact O-CD2 3.42Å; M285-H289 PolarHBondContact O-N 3.17Å; A286-H289 CarbonylContact O-C 3.52Å; A286-H289 PolarHBondContact O-N 3.45Å; F287-H289 PolarHBondContact O-N 3.48Å |
| 290 | L | 51.3 | Low | 51.7 | Low | 140 Ų | 140 | 108.9 Ų | 108.9 | 73% | 0.733 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -91.1 | 2 | 176.9 | -103.9 | 67 | 0 | 0 | 0 | 113.9 | A286 F287 P292 | A286-L290 PolarHBondContact O-N 3.43Å; F287-L290 PolarHBondContact O-N 3.02Å; L290-P292 WeakPolarHBondContact O-CD 3.46Å |
| 291 | I | 48.7 | Very low | 51 | Low | 90 Ų | 90 | 113.5 Ų | 113.5 | 46% | 0.462 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -102.8 | 108.1 | 169.8 | -56.1 | -62.9 | 0 | 0 | 0 | 109.1 | G293 G294 | I291-G293 PolarHBondContact O-N 3.05Å; I291-G294 PolarHBondContact O-N 3.44Å; I291-G294 VanDerWaalsContact O-N 3.15Å |
| 292 | P | 42.7 | Very low | 50.1 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 90% | 0.896 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 103.3 | 165.7 | -18.2 | 32.2 | 0 | 0 | 0 | 108.9 | L290 | L290-P292 WeakPolarHBondContact O-CD 3.46Š|
| 293 | G | 53 | Low | 49.2 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.5 | 17.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116 | I291 F295 | I291-G293 PolarHBondContact O-N 3.05Å; G293-F295 PolarHBondContact O-N 3.3Å |
| 294 | G | 40.8 | Very low | 48.3 | Very low | 44 Ų | 44 | 116.7 Ų | 116.7 | 45% | 0.454 | 68% | 0.683 | S | S | . | * | P | Polyproline II helix | trans | -52.6 | 135.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I291 | I291-G294 PolarHBondContact O-N 3.44Å; I291-G294 VanDerWaalsContact O-N 3.15Å |
| 295 | F | 44.4 | Very low | 47.6 | Very low | 193 Ų | 193 | 116.4 Ų | 116.4 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.5 | -169.5 | -75.2 | -98.4 | 0 | 0 | 0 | 114.5 | G293 | G293-F295 PolarHBondContact O-N 3.3Š|
| 296 | P | 45.5 | Very low | 46.4 | Very low | 85 Ų | 85 | 121.4 Ų | 121.4 | 55% | 0.552 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148 | 171.3 | 30.6 | -34.8 | 0 | 0 | 0 | 111.5 | T298 | P296-T298 PolarHBondContact O-N 3.3Š|
| 297 | P | 49.1 | Very low | 45.3 | Very low | 137 Ų | 137 | 128 Ų | 128 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 16.1 | -171.9 | 32.2 | -38.1 | 0 | 0 | 0 | 115.2 | ||
| 298 | T | 50.7 | Low | 44.4 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | -6.4 | -169.4 | -25 | 0 | 0 | 0 | 0 | 113.5 | P296 M300 | P296-T298 PolarHBondContact O-N 3.3Å; T298-M300 PolarHBondContact O-N 3.15Å |
| 299 | A | 43 | Very low | 43.4 | Very low | 61 Ų | 61 | 129.6 Ų | 129.6 | 50% | 0.504 | 75% | 0.748 | S | S | . | * | trans | -96.2 | 57.7 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 300 | M | 45.8 | Very low | 42.4 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -137 | 52.1 | 172.2 | -77.3 | -66 | 152 | 0 | 0 | 112.4 | T298 | T298-M300 PolarHBondContact O-N 3.15Š| ||
| 301 | S | 47.7 | Very low | 41.4 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -160.3 | 67.1 | 167.5 | -80.6 | 0 | 0 | 0 | 0 | 111.9 | ||
| 302 | S | 42.4 | Very low | 40.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -172.9 | 123.6 | 154.3 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 303 | I | 38.3 | Very low | 40.1 | Very low | 162 Ų | 162 | 134.9 Ų | 134.9 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -135.3 | 103 | 163.6 | -53 | 176.8 | 0 | 0 | 0 | 106.3 | ||||
| 304 | P | 39.6 | Very low | 39.1 | Very low | 95 Ų | 95 | 136.9 Ų | 136.9 | 62% | 0.617 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.7 | 165.5 | 30.5 | -31.8 | 0 | 0 | 0 | 108.9 | ||
| 305 | P | 41.9 | Very low | 39.4 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 135 | 173.7 | 28.9 | -33.3 | 0 | 0 | 0 | 110.1 | Q307 | P305-Q307 PolarHBondContact O-N 2.98Š|
| 306 | Y | 33.3 | Very low | 38.8 | Very low | 225 Ų | 225 | 136.5 Ų | 136.5 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 127.8 | 170.1 | -104.1 | -96.7 | 0 | 0 | 0 | 109.9 | ||
| 307 | Q | 35 | Very low | 38.2 | Very low | 188 Ų | 188 | 137.6 Ų | 137.6 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 136.7 | 157.6 | -69.9 | -179.1 | -10.6 | 0 | 0 | 108.5 | P305 | P305-Q307 PolarHBondContact O-N 2.98Š|
| 308 | L | 32.7 | Very low | 37.4 | Very low | 168 Ų | 168 | 139.1 Ų | 139.1 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 142.5 | 163.6 | -73.4 | 169.3 | 0 | 0 | 0 | 108.4 | ||
| 309 | S | 33.5 | Very low | 36.5 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 139 | -175.2 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | ||
| 310 | D | 30.4 | Very low | 36 | Very low | 161 Ų | 161 | 142.3 Ų | 142.3 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 149.8 | 169.4 | -125.5 | -49.6 | 0 | 0 | 0 | 112.2 | ||
| 311 | S | 31.5 | Very low | 35.2 | Very low | 112 Ų | 112 | 141 Ų | 141 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -151.5 | 107.3 | 173.4 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 312 | T | 34.9 | Very low | 34.8 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 125.3 | -169.7 | -46.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 313 | Y | 28.5 | Very low | 34.3 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 93% | 0.929 | 81% | 0.805 | S | S | * | * | trans | -148.7 | 151.3 | 150.7 | -115.2 | -80.3 | 0 | 0 | 0 | 112.7 | ||||
| 314 | S | 31.7 | Very low | 34.8 | Very low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -91.6 | 165 | -171.2 | -120.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 315 | P | 47.8 | Very low | 35.6 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -93.7 | 175.5 | -159.7 | 37.8 | -38.5 | 0 | 0 | 0 | 115.8 | ||||
| 316 | S | 30.8 | Very low | 35 | Very low | 115 Ų | 115 | 142.5 Ų | 142.5 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -147.8 | 101.1 | 162.1 | -74.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 317 | S | 33.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | 51.4 | 133.3 | 135.8 | -51.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 318 | I | 33.1 | Very low | 35.2 | Very low | 170 Ų | 170 | 136 Ų | 136 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | 73.9 | 140 | 143.6 | -79.9 | 168.7 | 0 | 0 | 0 | 118.2 | ||||
| 319 | A | 31.5 | Very low | 35.2 | Very low | 77 Ų | 77 | 136.3 Ų | 136.3 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | cis | -162.5 | 156.9 | -22.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 320 | Q | 31.7 | Very low | 35.2 | Very low | 176 Ų | 176 | 141.5 Ų | 141.5 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | 17.5 | 127.7 | 154.1 | -58.9 | -179.8 | -74.2 | 0 | 0 | 122.1 | ||||
| 321 | V | 30.3 | Very low | 36 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 92% | 0.915 | 80% | 0.799 | S | S | * | * | -140.6 | 150 | 112.5 | 174.2 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 322 | S | 38.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 67% | 0.671 | 80% | 0.801 | S | S | * | * | trans | -123 | 152.5 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 323 | E | 32.5 | Very low | 36.6 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -176.2 | 135.4 | 143.7 | -85.8 | -118.9 | 111.6 | 0 | 0 | 111.4 | ||||
| 324 | P | 47.7 | Very low | 37.4 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -126.9 | -169.5 | 171 | 42.4 | -29.8 | 0 | 0 | 0 | 112.5 | ||||
| 325 | P | 56.3 | Low | 38.1 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | cis | -126.8 | -177.3 | -45.9 | 36.2 | -20.1 | 0 | 0 | 0 | 112.4 | ||||
| 326 | S | 30.7 | Very low | 38 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | trans | -157.9 | 159.4 | 150.1 | -89 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 327 | T | 36.1 | Very low | 38.2 | Very low | 134 Ų | 134 | 139.7 Ų | 139.7 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -87.2 | 171.5 | -171.8 | 61.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 328 | V | 36 | Very low | 38.5 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | -155.7 | 169.7 | 74.7 | 162.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 329 | H | 33.2 | Very low | 38.5 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | trans | -94.4 | 174.7 | -155.4 | -141.7 | -78.5 | 0 | 0 | 0 | 117.4 | ||||
| 330 | R | 33.5 | Very low | 38.7 | Very low | 223 Ų | 223 | 140.5 Ų | 140.5 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | 90.4 | 154.7 | 153.5 | -98.4 | -153.3 | 146.5 | 102.5 | -1.6 | 118.7 | ||||
| 331 | P | 45.7 | Very low | 38.7 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 81% | 0.814 | S | S | * | * | -135.8 | 171.7 | -117.6 | 39.9 | -20.1 | 0 | 0 | 0 | 117.2 | |||||
| 332 | Q | 36.1 | Very low | 38.8 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 150.1 | 166.7 | -75.7 | -77.8 | -24.6 | 0 | 0 | 111.3 | ||
| 333 | P | 44.6 | Very low | 38.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 151.3 | 172.2 | 33.1 | -34 | 0 | 0 | 0 | 112.5 | ||
| 334 | L | 44 | Very low | 38.4 | Very low | 166 Ų | 166 | 135.3 Ų | 135.3 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 152.2 | 178.5 | -72.4 | 168.1 | 0 | 0 | 0 | 112.3 | ||
| 335 | P | 46.8 | Very low | 37.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 154.7 | 170.2 | 33.5 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 336 | P | 45.9 | Very low | 36.3 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 150.1 | 178.3 | 33 | -35.2 | 0 | 0 | 0 | 112.6 | ||
| 337 | S | 34.1 | Very low | 36.3 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 89% | 0.888 | 82% | 0.821 | S | S | * | * | trans | -137.6 | 155.2 | 160.2 | -165.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 338 | S | 40.5 | Very low | 36.1 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -88.3 | 146 | -164.3 | -165.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 339 | G | 33.4 | Very low | 35.9 | Very low | 73 Ų | 73 | 130.6 Ų | 130.6 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -162.9 | 131.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 340 | H | 36.1 | Very low | 36 | Very low | 183 Ų | 183 | 130.3 Ų | 130.3 | 85% | 0.847 | 82% | 0.823 | S | S | * | * | trans | -98 | 144.5 | 178.3 | -67.9 | -95.4 | 0 | 0 | 0 | 111.7 | ||||
| 341 | Q | 31.8 | Very low | 35.9 | Very low | 190 Ų | 190 | 122.9 Ų | 122.9 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -170.3 | 149.6 | 130 | -115.5 | -175.5 | 53.3 | 0 | 0 | 114.3 | ||||
| 342 | A | 30.5 | Very low | 35.3 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | 59.1 | 149.7 | 144.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 343 | S | 30.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 119 Ų | 119 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | cis | -169.1 | 133.1 | -19.8 | 178.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 344 | A | 34 | Very low | 34.7 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 87% | 0.868 | 81% | 0.812 | S | S | * | * | trans | 178.6 | 145 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 345 | G | 30.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 119.1 Ų | 119.1 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | cis | 164.6 | 116.6 | -14.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 346 | G | 29.2 | Very low | 33.6 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | 108.3 | 133.7 | 161.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 347 | G | 29.1 | Very low | 33 | Very low | 77 Ų | 77 | 121.9 Ų | 121.9 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 76.2 | 118 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 348 | Q | 31.9 | Very low | 32.8 | Very low | 200 Ų | 200 | 120.4 Ų | 120.4 | 94% | 0.935 | 82% | 0.816 | S | S | * | * | cis | 68.8 | 119 | 33.1 | -160.5 | 174.1 | 15.7 | 0 | 0 | 112.8 | ||||
| 349 | A | 33.6 | Very low | 32.4 | Very low | 84 Ų | 84 | 121 Ų | 121 | 69% | 0.694 | 82% | 0.821 | S | S | * | * | cis | -143.7 | -173.7 | -1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 350 | D | 33.8 | Very low | 32.4 | Very low | 169 Ų | 169 | 121.1 Ų | 121.1 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | cis | -156.4 | 172 | 2.1 | -151.4 | -33.3 | 0 | 0 | 0 | 109.1 | ||||
| 351 | G | 32.3 | Very low | 32.5 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | 119.9 | 96 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 352 | G | 31.8 | Very low | 32.7 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 78.1 | 89.7 | 136.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 353 | S | 36.9 | Very low | 32.7 | Very low | 123 Ų | 123 | 124.9 Ų | 124.9 | 86% | 0.86 | 83% | 0.826 | S | S | * | * | trans | -66.1 | 162.3 | 155.3 | -153 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 354 | A | 31.4 | Very low | 32.6 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 52% | 0.521 | 83% | 0.829 | S | S | . | * | cis | -172.3 | -179.7 | 44.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 355 | Y | 35.4 | Very low | 32.7 | Very low | 222 Ų | 222 | 128 Ų | 128 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | trans | 61.1 | 106 | 164.1 | 49.7 | -102.9 | 0 | 0 | 0 | 120.6 | ||||
| 356 | C | 32.5 | Very low | 32.6 | Very low | 123 Ų | 123 | 127.6 Ų | 127.6 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -74.3 | 163.3 | 157.1 | -43.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 357 | L | 32.9 | Very low | 32.6 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 94% | 0.937 | 81% | 0.812 | S | S | * | * | -162.5 | 155 | 124.6 | -107 | 167.8 | 0 | 0 | 0 | 110.8 | |||||
| 358 | A | 31.5 | Very low | 32.7 | Very low | 95 Ų | 95 | 135.6 Ų | 135.6 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -107.1 | 144.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 359 | S | 30.9 | Very low | 32.5 | Very low | 129 Ų | 129 | 133.3 Ų | 133.3 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -101.9 | 114.5 | 178.7 | -66.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 360 | G | 33.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 135.1 Ų | 135.1 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | trans | -82.1 | 171.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 361 | R | 38.3 | Very low | 32.4 | Very low | 240 Ų | 240 | 136.5 Ų | 136.5 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -80 | 143.1 | 178.7 | -71.2 | 171.9 | 157.2 | -92.3 | -1 | 112.7 | ||||
| 362 | H | 35.6 | Very low | 32.7 | Very low | 186 Ų | 186 | 138.5 Ų | 138.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | trans | -164.7 | 167.2 | 132 | 40.3 | -83.8 | 0 | 0 | 0 | 110.4 | ||||
| 363 | S | 31.1 | Very low | 32.8 | Very low | 115 Ų | 115 | 139.5 Ų | 139.5 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -116.5 | 148.9 | -179.6 | -59.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 364 | F | 29.3 | Very low | 33.6 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | -139.8 | 162.9 | 157 | -167.9 | -105.5 | 0 | 0 | 0 | 110.1 | ||||
| 365 | S | 34.7 | Very low | 33.5 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 61% | 0.608 | 82% | 0.816 | S | S | * | * | trans | -89.9 | 149.1 | -174.7 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 366 | G | 28.9 | Very low | 33.2 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -140.5 | 131.9 | 174 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 367 | Y | 28.9 | Very low | 33.3 | Very low | 222 Ų | 222 | 133.1 Ų | 133.1 | 87% | 0.871 | 81% | 0.809 | S | S | * | * | trans | -103.2 | 175.2 | -178.3 | -112 | -95.8 | 0 | 0 | 0 | 111.4 | ||||
| 368 | S | 31.6 | Very low | 33.4 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 89.5 | 133.6 | 157.8 | 70.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 369 | D | 27.1 | Very low | 33.6 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | 53 | 117.8 | 150.5 | -75.9 | -125 | 0 | 0 | 0 | 123.7 | ||||
| 370 | S | 35 | Very low | 35 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -89.1 | 138.1 | 155.2 | -55.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 371 | F | 30.4 | Very low | 34.9 | Very low | 198 Ų | 198 | 138.2 Ų | 138.2 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -114.2 | 142.1 | 171.2 | -151.6 | -98.6 | 0 | 0 | 0 | 112.6 | ||||
| 372 | V | 38.9 | Very low | 34.9 | Very low | 111 Ų | 111 | 134 Ų | 134 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | trans | -64.1 | 166.6 | 178.3 | -107.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 373 | S | 33.4 | Very low | 34.8 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 71% | 0.713 | 79% | 0.793 | S | S | * | * | cis | -170.4 | -155.8 | 15.4 | -132.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 374 | P | 55.1 | Low | 35 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | cis | -134.7 | 169.5 | -12.1 | 31.2 | -10.1 | 0 | 0 | 0 | 117.5 | ||||
| 375 | G | 28.5 | Very low | 35.6 | Very low | 83 Ų | 83 | 127 Ų | 127 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 119.6 | 128.9 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 376 | G | 30.1 | Very low | 35.5 | Very low | 69 Ų | 69 | 126 Ų | 126 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | cis | 172.4 | 155.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 377 | S | 34.9 | Very low | 35.8 | Very low | 119 Ų | 119 | 130.5 Ų | 130.5 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 69.8 | 145.6 | 173.3 | -57.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 378 | T | 34 | Very low | 36 | Very low | 117 Ų | 117 | 123.4 Ų | 123.4 | 72% | 0.718 | 79% | 0.791 | S | S | * | * | cis | -160.9 | 144.4 | -6.4 | 12.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 379 | N | 35.3 | Very low | 36.1 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 71.8 | 152.2 | 150.3 | -65.7 | -7.8 | 0 | 0 | 0 | 123.6 | ||||
| 380 | P | 60.3 | Low | 36.4 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 175.4 | -170.6 | 44.5 | -28.8 | 0 | 0 | 0 | 116.3 | ||||
| 381 | M | 32 | Very low | 37.3 | Very low | 198 Ų | 198 | 124.1 Ų | 124.1 | 98% | 0.975 | 79% | 0.79 | S | S | * | * | trans | -172.5 | 159.3 | 140 | -107.7 | 170.8 | -175.2 | 0 | 0 | 113.4 | ||||
| 382 | N | 37.3 | Very low | 37.5 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 81% | 0.807 | 79% | 0.787 | S | S | * | * | trans | -157.5 | 141.6 | -177 | 173.9 | 39 | 0 | 0 | 0 | 113.2 | ||||
| 383 | S | 34.3 | Very low | 37.3 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -176.6 | 126.2 | 156.1 | -78.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 384 | A | 35.7 | Very low | 37.5 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 67.7 | 136.4 | 72.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 385 | I | 40.3 | Very low | 36.5 | Very low | 163 Ų | 163 | 124 Ų | 124 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | cis | -146.9 | 161.4 | 18.4 | -59.8 | 169.6 | 0 | 0 | 0 | 107.5 | ||||
| 386 | G | 33.2 | Very low | 36.8 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | cis | 145.5 | 179.7 | -2.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 387 | N | 36.1 | Very low | 37 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | 78.8 | 128.9 | 164.3 | -70.8 | -5.7 | 0 | 0 | 0 | 124.5 | ||||
| 388 | G | 32.9 | Very low | 37.2 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 105.8 | 135.2 | 145.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 389 | L | 32.9 | Very low | 37.9 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 95% | 0.948 | 79% | 0.792 | S | S | * | * | cis | -152.3 | 168.6 | -8.4 | -80.2 | 175.8 | 0 | 0 | 0 | 109.6 | ||||
| 390 | S | 34.8 | Very low | 37.6 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -121.6 | 164.4 | 171 | 69.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 391 | P | 54.1 | Low | 36.1 | Very low | 105 Ų | 105 | 127 Ų | 127 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | -138.8 | 174.1 | 101.5 | 15.2 | 8.7 | 0 | 0 | 0 | 113.1 | |||||
| 392 | Q | 33.8 | Very low | 36.3 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | cis | -158 | 140.4 | -1.1 | -119.1 | 154.6 | 30.5 | 0 | 0 | 111.6 | ||||
| 393 | V | 34 | Very low | 36.7 | Very low | 127 Ų | 127 | 122.6 Ų | 122.6 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 55.3 | 110.7 | 135.4 | 176.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 394 | M | 37.6 | Very low | 36.4 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | 78.4 | 144.9 | 80.6 | -144.6 | 71.7 | 159.4 | 0 | 0 | 113.9 | L396 | M394-L396 HydrophobicContact CE-CD1 4.39Š| |||
| 395 | G | 35 | Very low | 36.3 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | cis | 162.2 | 168 | -3.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 396 | L | 34.2 | Very low | 36.8 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -146.9 | -108.5 | -3.4 | -125.9 | 173 | 0 | 0 | 0 | 112.8 | M394 | M394-L396 HydrophobicContact CE-CD1 4.39Š| ||
| 397 | L | 34.5 | Very low | 36.6 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -151.1 | 132.4 | -168.2 | -79.7 | 160.6 | 0 | 0 | 0 | 116.1 | ||||
| 398 | N | 38.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 126.7 Ų | 126.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 55.1 | 178.2 | 150.2 | -115.5 | 7.3 | 0 | 0 | 0 | 119.5 | ||||
| 399 | P | 48.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | cis | -134 | 163.7 | 1 | 41.7 | -24.4 | 0 | 0 | 0 | 118.8 | ||||
| 400 | G | 29.4 | Very low | 36.1 | Very low | 79 Ų | 79 | 130.8 Ų | 130.8 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | 74.8 | 121.9 | 134.9 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 401 | G | 28.8 | Very low | 35.9 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 75% | 0.752 | S | S | * | * | trans | 169.4 | 128.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 402 | V | 35.8 | Very low | 34.8 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | -150.2 | 132.8 | 179.2 | -178.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 403 | P | 45.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | -156.7 | -174.8 | 65.6 | 42.5 | -20.4 | 0 | 0 | 0 | 119.4 | |||||
| 404 | H | 29.1 | Very low | 35.7 | Very low | 174 Ų | 174 | 128.6 Ų | 128.6 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | trans | 100.2 | 125.9 | 144.3 | -126.6 | -58 | 0 | 0 | 0 | 121.2 | ||||
| 405 | Q | 32.4 | Very low | 35.6 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -81.1 | -160.2 | 160.9 | -126.3 | -160.4 | -20.2 | 0 | 0 | 109.4 | ||||
| 406 | P | 49.9 | Very low | 35.4 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 52% | 0.519 | 77% | 0.769 | S | S | . | * | cis | -134.3 | 178.3 | 3.8 | 42.6 | -24.8 | 0 | 0 | 0 | 116.2 | ||||
| 407 | Q | 30 | Very low | 35.2 | Very low | 169 Ų | 169 | 129.1 Ų | 129.1 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | 60.7 | 161.3 | 144.9 | -88.4 | 174.1 | -39.2 | 0 | 0 | 120.1 | ||||
| 408 | S | 30.4 | Very low | 35.1 | Very low | 89 Ų | 89 | 125.4 Ų | 125.4 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | cis | -157.9 | 141.4 | -1.9 | 41.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 409 | D | 28.8 | Very low | 34.7 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 64% | 0.642 | 78% | 0.777 | S | S | * | * | trans | 51.6 | 158.5 | 137 | -61.6 | -81.1 | 0 | 0 | 0 | 125 | ||||
| 410 | Y | 31.5 | Very low | 34.1 | Very low | 220 Ų | 220 | 130 Ų | 130 | 86% | 0.863 | 78% | 0.781 | S | S | * | * | trans | 73.3 | 150.1 | 168.9 | -52.4 | -77.8 | 0 | 0 | 0 | 119.3 | ||||
| 411 | A | 30.9 | Very low | 35.7 | Very low | 77 Ų | 77 | 131 Ų | 131 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | cis | -179.4 | 177.8 | -38.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 412 | I | 32.3 | Very low | 36.9 | Very low | 160 Ų | 160 | 132.2 Ų | 132.2 | 82% | 0.821 | 77% | 0.767 | S | S | * | * | trans | 77.9 | 119.5 | 162.4 | -53.3 | -179.1 | 0 | 0 | 0 | 117.1 | ||||
| 413 | S | 34.8 | Very low | 36.8 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -109.5 | 163.7 | 151.3 | -47.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 414 | P | 51.4 | Low | 36.1 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | -152.8 | 143.1 | 97.3 | 36.6 | -17.9 | 0 | 0 | 0 | 118.4 | |||||
| 415 | L | 35.4 | Very low | 36.3 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | trans | 18.7 | 120.9 | 140.8 | -58.8 | 168.8 | 0 | 0 | 0 | 122.5 | ||||
| 416 | T | 31.2 | Very low | 36.4 | Very low | 150 Ų | 150 | 126.3 Ų | 126.3 | 92% | 0.92 | 77% | 0.769 | S | S | * | * | trans | 171.6 | 167.1 | 131.6 | 28.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 417 | G | 29.8 | Very low | 35.6 | Very low | 78 Ų | 78 | 127.3 Ų | 127.3 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | cis | 120.7 | 117.3 | -9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 418 | G | 31.4 | Very low | 35.8 | Very low | 73 Ų | 73 | 124.4 Ų | 124.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | 176.7 | -159.6 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 419 | L | 31.5 | Very low | 35.8 | Very low | 189 Ų | 189 | 125.5 Ų | 125.5 | 99% | 0.99 | 79% | 0.789 | S | S | * | * | trans | 85.9 | 169.5 | 175.1 | -52.8 | 175.5 | 0 | 0 | 0 | 118.9 | ||||
| 420 | E | 34.9 | Very low | 36.1 | Very low | 177 Ų | 177 | 124.2 Ų | 124.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -142.4 | 172.6 | -166.5 | -108.1 | -108.6 | 106.1 | 0 | 0 | 109.8 | ||||
| 421 | P | 63.9 | Low | 36.4 | Very low | 99 Ų | 99 | 121.7 Ų | 121.7 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -116.7 | -105.6 | -6.8 | 33.3 | -11 | 0 | 0 | 0 | 111.4 | ||||
| 422 | P | 53.9 | Low | 36.2 | Very low | 105 Ų | 105 | 130 Ų | 130 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | cis | -132.8 | 164.3 | -6.1 | 42.7 | -24.4 | 0 | 0 | 0 | 118.7 | ||||
| 423 | S | 32.8 | Very low | 36.3 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | 43.2 | 124.8 | 144.8 | -59.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 424 | G | 31.1 | Very low | 36.2 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | 136.7 | 118.5 | 122.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 425 | M | 34.9 | Very low | 35.4 | Very low | 195 Ų | 195 | 131.7 Ų | 131.7 | 96% | 0.961 | 79% | 0.789 | S | S | * | * | trans | 66.8 | 153.7 | 142.8 | -57.3 | -171 | 86.7 | 0 | 0 | 120.4 | ||||
| 426 | A | 33.4 | Very low | 35.6 | Very low | 80 Ų | 80 | 130.3 Ų | 130.3 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | cis | -170.3 | 172.9 | -21.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 427 | A | 32.8 | Very low | 35.8 | Very low | 102 Ų | 102 | 133 Ų | 133 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 69.6 | 154.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 428 | S | 35 | Very low | 35.8 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | cis | -169.9 | 176.6 | -21.1 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 429 | C | 29.7 | Very low | 36 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 73.2 | 153.1 | 165.1 | -63.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 430 | S | 35.2 | Very low | 37.1 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 77% | 0.771 | S | S | * | * | cis | -162.8 | 131 | -23.6 | -99.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 431 | Q | 37.3 | Very low | 37.1 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | 65.5 | 126.2 | 86.8 | -66.8 | -162.9 | 36.7 | 0 | 0 | 118.3 | |||||
| 432 | R | 27.5 | Very low | 35.7 | Very low | 253 Ų | 253 | 133.4 Ų | 133.4 | 96% | 0.955 | 77% | 0.772 | S | S | * | * | trans | -150.4 | 154.2 | 136.7 | -150.5 | 172.7 | -175 | 172.8 | 2.6 | 109.4 | ||||
| 433 | M | 35.4 | Very low | 35.7 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 60% | 0.596 | 77% | 0.773 | S | S | * | * | trans | -157.4 | 166.8 | -161.9 | -179.8 | 160.7 | 57.4 | 0 | 0 | 110.3 | ||||
| 434 | D | 30.8 | Very low | 35.6 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -175.5 | 159.8 | 139.7 | -97.7 | -38.4 | 0 | 0 | 0 | 116.1 | ||||
| 435 | H | 35.9 | Very low | 35.9 | Very low | 149 Ų | 149 | 134 Ų | 134 | 69% | 0.69 | 77% | 0.765 | S | S | * | * | trans | -155.1 | 170.1 | -158.5 | -81.7 | 7.7 | 0 | 0 | 0 | 112.7 | ||||
| 436 | I | 39.3 | Very low | 35.6 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | cis | -166.3 | 150.9 | -19.4 | -100 | 170.1 | 0 | 0 | 0 | 108.2 | ||||
| 437 | K | 35.3 | Very low | 35.4 | Very low | 208 Ų | 208 | 134.5 Ų | 134.5 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | trans | -176.3 | 165.5 | 165.7 | -104.8 | 142.6 | -161.2 | 171.9 | 0 | 111.1 | ||||
| 438 | A | 29.5 | Very low | 35.4 | Very low | 94 Ų | 94 | 140.1 Ų | 140.1 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | cis | -143.2 | -132.8 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 439 | L | 35.6 | Very low | 35.1 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | trans | -153.8 | 176.3 | -167.7 | -89.7 | 172.2 | 0 | 0 | 0 | 110.5 | ||||
| 440 | P | 55.5 | Low | 35.4 | Very low | 110 Ų | 110 | 140.5 Ų | 140.5 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -144.5 | 165.7 | 20.3 | 43.2 | -23 | 0 | 0 | 0 | 121.5 | ||||
| 441 | S | 33.9 | Very low | 36 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | trans | 69.7 | 108.9 | 137.4 | 63.5 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 442 | L | 33.8 | Very low | 36.2 | Very low | 165 Ų | 165 | 140 Ų | 140 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | 69.7 | 160.5 | 122.4 | -65.7 | 178.6 | 0 | 0 | 0 | 123.1 | |||||
| 443 | P | 54.6 | Low | 36.3 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | cis | -138.1 | 172.8 | -22.8 | 36.3 | -17.5 | 0 | 0 | 0 | 117.7 | ||||
| 444 | S | 31.7 | Very low | 36.3 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 69.2 | 153.7 | 155.4 | -89.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 445 | S | 35.9 | Very low | 36.2 | Very low | 98 Ų | 98 | 135.8 Ų | 135.8 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | cis | -169.4 | 157.6 | -16.1 | -105.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 446 | Q | 29.5 | Very low | 37 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 72.7 | 171.8 | 157.7 | -73.6 | -154 | 69.9 | 0 | 0 | 122.5 | ||||
| 447 | S | 29.7 | Very low | 36.5 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | trans | -151.7 | 169.7 | -155.3 | -51 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 448 | Y | 31.4 | Very low | 36.3 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | 91.6 | 129.1 | 161.3 | -69.8 | -75 | 0 | 0 | 0 | 122.4 | ||||
| 449 | C | 29.1 | Very low | 36.6 | Very low | 103 Ų | 103 | 133 Ų | 133 | 70% | 0.696 | 77% | 0.772 | S | S | * | * | trans | 66.5 | 112 | 142.3 | -66.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 450 | T | 36.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | 29.9 | 137.8 | 126.8 | 60.9 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 451 | P | 47.7 | Very low | 35.2 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | -140.8 | 174.5 | 103.1 | 40 | -29.2 | 0 | 0 | 0 | 115.6 | |||||
| 452 | S | 40.8 | Very low | 35.1 | Very low | 116 Ų | 116 | 135.8 Ų | 135.8 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | trans | -103 | 144.2 | -178.2 | -44.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 453 | Y | 31 | Very low | 34.9 | Very low | 229 Ų | 229 | 133.6 Ų | 133.6 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -157.5 | 163.5 | 145.4 | -143.4 | -104.7 | 0 | 0 | 0 | 112.2 | ||||
| 454 | S | 33.6 | Very low | 34.2 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | trans | -113.7 | 151 | -179.2 | -55 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 455 | S | 30.3 | Very low | 34 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 167.7 | -170.7 | 139.2 | -65.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 456 | P | 52.8 | Low | 33.7 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | -136 | 161.8 | -110.6 | 35.2 | -12.4 | 0 | 0 | 0 | 118.1 | |||||
| 457 | G | 29.1 | Very low | 33.6 | Very low | 66 Ų | 66 | 140.2 Ų | 140.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 94.9 | 145.5 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 458 | Y | 30.8 | Very low | 33.6 | Very low | 221 Ų | 221 | 146 Ų | 146 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | 59 | 139.3 | 166.3 | -66.1 | -95.3 | 0 | 0 | 0 | 119 | ||||
| 459 | T | 34.3 | Very low | 33.4 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | cis | -178.2 | 155.1 | -31.8 | 27.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 460 | V | 33.3 | Very low | 33.4 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | 81.2 | 130.4 | 166.5 | 179.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 461 | D | 29.3 | Very low | 33 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | trans | 23.8 | 133 | 165.2 | -77.8 | -93.4 | 0 | 0 | 0 | 123 | ||||
| 462 | H | 31 | Very low | 32.5 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | -159 | 143.6 | 62.4 | -103 | -83.4 | 0 | 0 | 0 | 115.7 | |||||
| 463 | V | 30.3 | Very low | 32.1 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | 56.7 | 127 | 134.9 | 173.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 464 | A | 40.2 | Very low | 32.2 | Very low | 89 Ų | 89 | 145.2 Ų | 145.2 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | trans | 70.4 | 115.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 465 | S | 27.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | -160.9 | 139.8 | 118.7 | 26.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 466 | Y | 29.5 | Very low | 32.9 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -113.1 | 115.3 | -178.5 | -114.4 | -95 | 0 | 0 | 0 | 109.6 | ||||
| 467 | Q | 28.2 | Very low | 32.1 | Very low | 194 Ų | 194 | 152 Ų | 152 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | -149.4 | 91.4 | 167.1 | -145.5 | 167.4 | 10.4 | 0 | 0 | 114.8 | ||||
| 468 | Y | 28.7 | Very low | 32.3 | Very low | 217 Ų | 217 | 159.4 Ų | 159.4 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | 28.2 | 107.3 | 143 | -159.8 | -97 | 0 | 0 | 0 | 119.7 | ||||
| 469 | S | 27.6 | Very low | 32.4 | Very low | 105 Ų | 105 | 160.9 Ų | 160.9 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -157.2 | 137.8 | 148.6 | -91.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 470 | Q | 29.3 | Very low | 32.5 | Very low | 182 Ų | 182 | 164.6 Ų | 164.6 | 85% | 0.85 | 82% | 0.823 | S | S | * | * | trans | 24.2 | 107.3 | 156.4 | -53.2 | -166 | 33.3 | 0 | 0 | 120.3 | ||||
| 471 | Y | 29.1 | Very low | 32.5 | Very low | 248 Ų | 248 | 166.9 Ų | 166.9 | 97% | 0.973 | 83% | 0.825 | S | S | * | * | trans | -93.6 | 111.3 | 150.7 | -100.7 | -91.5 | 0 | 0 | 0 | 110.1 | ||||
| 472 | G | 36.1 | Very low | 32.9 | Very low | 60 Ų | 60 | 168 Ų | 168 | 62% | 0.619 | 84% | 0.836 | S | S | * | * | trans | -141.8 | 9.8 | -166 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 473 | Q | 33.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 167.1 Ų | 167.1 | 90% | 0.897 | 84% | 0.842 | S | S | * | * | trans | -168.4 | 125.6 | 172.9 | -112.3 | 155.2 | 102.1 | 0 | 0 | 112.7 | ||||
| 474 | S | 33.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 165.1 Ų | 165.1 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -174.9 | 92.9 | 144.1 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 475 | K | 36.4 | Very low | 33.4 | Very low | 203 Ų | 203 | 169.4 Ų | 169.4 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | trans | -162.6 | 44.4 | 156.7 | -137.4 | 161.7 | -167.4 | 159.5 | 0 | 115.1 | ||||
| 476 | V | 41.9 | Very low | 33.6 | Very low | 134 Ų | 134 | 169 Ų | 169 | 81% | 0.812 | 85% | 0.852 | S | S | * | * | trans | -138.6 | 73.8 | 173.3 | -133.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 477 | D | 36.3 | Very low | 34 | Very low | 142 Ų | 142 | 163.9 Ų | 163.9 | 76% | 0.759 | 85% | 0.851 | S | S | * | * | trans | -166.2 | 92 | 155.3 | -100.9 | -35.9 | 0 | 0 | 0 | 110.6 | ||||
| 478 | Y | 32.6 | Very low | 34.1 | Very low | 220 Ų | 220 | 159 Ų | 159 | 86% | 0.863 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -156.5 | 38.1 | 168 | -140.7 | -86.3 | 0 | 0 | 0 | 111.9 | ||
| 479 | W | 33.7 | Very low | 34.2 | Very low | 253 Ų | 253 | 159 Ų | 159 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -139.9 | 19.2 | -178.4 | -88.7 | 98.2 | 0 | 0 | 0 | 113.5 | ||
| 480 | K | 34.8 | Very low | 34.3 | Very low | 192 Ų | 192 | 159.6 Ų | 159.6 | 84% | 0.835 | 85% | 0.847 | S | S | * | * | S | Bend | trans | -129.9 | 24.2 | -175 | -107.7 | -168.9 | 176 | -170.9 | 0 | 114.9 | ||
| 481 | Q | 33.7 | Very low | 34.4 | Very low | 180 Ų | 180 | 156.9 Ų | 156.9 | 84% | 0.841 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -138.6 | 41.7 | -175.9 | -151.4 | 170.3 | 16.5 | 0 | 0 | 114.1 | ||
| 482 | V | 37.8 | Very low | 34.5 | Very low | 146 Ų | 146 | 154.3 Ų | 154.3 | 89% | 0.885 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -138.6 | 27.8 | 167.5 | -154.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 483 | V | 39.1 | Very low | 34.3 | Very low | 150 Ų | 150 | 158.7 Ų | 158.7 | 91% | 0.909 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -139.2 | 117.2 | 173.4 | -174 | 0 | 0 | 0 | 0 | 107.6 | ||
| 484 | G | 38.7 | Very low | 34.3 | Very low | 75 Ų | 75 | 155.1 Ų | 155.1 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | trans | 111.9 | 65 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 485 | L | 34.7 | Very low | 34.2 | Very low | 179 Ų | 179 | 152.6 Ų | 152.6 | 94% | 0.937 | 84% | 0.835 | S | S | * | * | trans | -163.4 | 76.1 | 157.3 | -111.7 | 173.4 | 0 | 0 | 0 | 109.7 | ||||
| 486 | S | 31.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -157.5 | 77 | 168.6 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 487 | S | 37.5 | Very low | 34.7 | Very low | 131 Ų | 131 | 150.3 Ų | 150.3 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -164.6 | 79.8 | 162.3 | -88.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 488 | A | 30.2 | Very low | 34.6 | Very low | 91 Ų | 91 | 151.7 Ų | 151.7 | 75% | 0.752 | 83% | 0.834 | S | S | * | * | trans | -151.5 | 78.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | V490 | A488-V490 PolarHBondContact O-N 3.4Å; A488-V490 VanDerWaalsContact O-N 3.11Å | ||
| 489 | K | 31.7 | Very low | 34.5 | Very low | 218 Ų | 218 | 148.4 Ų | 148.4 | 95% | 0.948 | 83% | 0.832 | S | S | * | * | trans | -70.7 | 100.8 | 167.6 | -78.9 | -174.6 | 175.2 | -177.8 | 0 | 108 | ||||
| 490 | V | 29.9 | Very low | 34.6 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 70% | 0.703 | 82% | 0.823 | S | S | * | * | trans | -94 | 109.7 | 164.8 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | A488 F492 | A488-V490 PolarHBondContact O-N 3.4Å; A488-V490 VanDerWaalsContact O-N 3.11Å; V490-F492 HydrophobicContact CG1-CD2 4.16Å; V490-F492 HydrophobicContact CG1-CE2 4.2Å | ||
| 491 | T | 31.6 | Very low | 34.5 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 77% | 0.773 | 82% | 0.819 | S | S | * | * | trans | -70.1 | 127.6 | 172.5 | 45.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 492 | F | 29.8 | Very low | 34.3 | Very low | 194 Ų | 194 | 137.2 Ų | 137.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -113.1 | 131.9 | 162.4 | -104.6 | -91.6 | 0 | 0 | 0 | 109.8 | V490 | V490-F492 HydrophobicContact CG1-CD2 4.16Å; V490-F492 HydrophobicContact CG1-CE2 4.2Å | ||
| 493 | L | 31.7 | Very low | 34 | Very low | 152 Ų | 152 | 137.4 Ų | 137.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | trans | -96.7 | 142.2 | 178.7 | -81 | 160.4 | 0 | 0 | 0 | 110.2 | ||||
| 494 | S | 33 | Very low | 33.7 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | trans | 32.5 | 128.7 | 148.3 | 61.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 495 | G | 31.3 | Very low | 33.5 | Very low | 69 Ų | 69 | 139.3 Ų | 139.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | 132.7 | 88 | 124.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 496 | Q | 36.3 | Very low | 33.5 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | 66.6 | 156 | 150.4 | -60.3 | -61.9 | -17.6 | 0 | 0 | 119.5 | ||||
| 497 | P | 53.7 | Low | 33.6 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | trans | -105.2 | 161.8 | -175.8 | 40.3 | -34.3 | 0 | 0 | 0 | 114.1 | ||||
| 498 | L | 33.2 | Very low | 33.6 | Very low | 171 Ų | 171 | 140.2 Ų | 140.2 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | -146.9 | 153 | 152.1 | -81.3 | -175 | 0 | 0 | 0 | 110.8 | ||||
| 499 | D | 31.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | trans | -78.7 | -169.6 | -179 | -67.3 | -79.7 | 0 | 0 | 0 | 114.4 | ||||
| 500 | I | 34.1 | Very low | 34 | Very low | 150 Ų | 150 | 139 Ų | 139 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | 118.3 | 119.5 | 142.2 | -59.3 | -167.1 | 0 | 0 | 0 | 117.5 | ||||
| 501 | L | 32.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 47.3 | 101.7 | 152.9 | -65.8 | 167.3 | 0 | 0 | 0 | 121.7 | ||||
| 502 | S | 29.7 | Very low | 34.5 | Very low | 93 Ų | 93 | 146.7 Ų | 146.7 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | 44.1 | 146.6 | 106.9 | 77.9 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 503 | L | 32.5 | Very low | 34.7 | Very low | 150 Ų | 150 | 144.4 Ų | 144.4 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | 92.4 | 148 | 138.6 | -146.9 | 72.2 | 0 | 0 | 0 | 118.3 | ||||
| 504 | L | 33.5 | Very low | 34.9 | Very low | 146 Ų | 146 | 143.9 Ų | 143.9 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | 64.1 | 157.4 | 179.3 | -68.2 | 106.8 | 0 | 0 | 0 | 117.2 | ||||
| 505 | T | 33.4 | Very low | 35 | Very low | 118 Ų | 118 | 145.5 Ų | 145.5 | 72% | 0.724 | 81% | 0.809 | S | S | * | * | cis | -163.3 | 148.6 | -39.6 | -95.3 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 506 | A | 34.7 | Very low | 35.2 | Very low | 94 Ų | 94 | 150 Ų | 150 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -62.1 | 141.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 507 | K | 33 | Very low | 35.2 | Very low | 204 Ų | 204 | 147.6 Ų | 147.6 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | trans | -145.5 | 128 | 144.3 | -116.2 | 173 | -170.4 | 178.2 | 0 | 111.5 | ||||
| 508 | T | 38.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -66.6 | 142.2 | 166.5 | 25.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 509 | A | 34.3 | Very low | 34 | Very low | 104 Ų | 104 | 149.3 Ų | 149.3 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -126.4 | 145.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 510 | Q | 35.7 | Very low | 34.1 | Very low | 180 Ų | 180 | 149.2 Ų | 149.2 | 84% | 0.841 | 82% | 0.817 | S | S | * | * | trans | -122.1 | 146.9 | -170.9 | -162.7 | 172.3 | -0.9 | 0 | 0 | 108.6 | ||||
| 511 | S | 33.3 | Very low | 34.1 | Very low | 96 Ų | 96 | 149.1 Ų | 149.1 | 67% | 0.671 | 82% | 0.821 | S | S | * | * | trans | 45.8 | 119.3 | 164.1 | 57.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 512 | Y | 38.5 | Very low | 34.3 | Very low | 308 Ų | 308 | 149.3 Ų | 149.3 | 100% | 1.208 | 83% | 0.826 | S | S | * | * | -134.2 | 0 | 92.6 | -101.4 | -81.5 | 0 | 0 | 0 | 109.7 |
Retrieved 512 of 512 residues in 717 ms
(Link to these results)