| 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 | 43.9 | Very low | 55.5 | Low | 248 Ų | 248 | 148.1 Ų | 148.1 | 100% | 1.222 | 81% | 0.808 | S | S | * | * | 0 | 136.7 | 0 | -86.7 | 168.6 | 173.4 | 0 | 0 | 107.8 | |||||
| 2 | V | 47.7 | Very low | 55.8 | Low | 147 Ų | 147 | 145.1 Ų | 145.1 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -68.7 | 145.6 | -160 | 168.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 3 | A | 54.5 | Low | 55.8 | Low | 84 Ų | 84 | 145.2 Ų | 145.2 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | trans | -55.7 | 137.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 4 | F | 47.2 | Very low | 55.9 | Low | 197 Ų | 197 | 139.8 Ų | 139.8 | 86% | 0.864 | 75% | 0.753 | S | S | * | * | trans | -121.9 | 96.8 | 159.2 | -145.6 | -96.5 | 0 | 0 | 0 | 106.5 | E6 | F4-E6 PolarHBondContact O-N 3.04Š| ||
| 5 | S | 52.4 | Low | 56.1 | Low | 101 Ų | 101 | 140.3 Ų | 140.3 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -49.9 | 131.2 | 172.8 | -69.3 | 0 | 0 | 0 | 0 | 109.9 | M7 | S5-M7 PolarHBondContact O-N 2.84Š| ||
| 6 | E | 59.5 | Low | 56.1 | Low | 195 Ų | 195 | 138.4 Ų | 138.4 | 91% | 0.911 | 74% | 0.738 | S | S | * | * | trans | -54.9 | 110.5 | 161 | -76.3 | 176.6 | 104.8 | 0 | 0 | 108.1 | F4 | F4-E6 PolarHBondContact O-N 3.04Š| ||
| 7 | M | 59.6 | Low | 56.2 | Low | 164 Ų | 164 | 135.6 Ų | 135.6 | 81% | 0.808 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132.2 | 169.9 | -84 | -125.9 | -141 | 0 | 0 | 108.7 | S5 K9 | S5-M7 PolarHBondContact O-N 2.84Å; M7-K9 PolarHBondContact O-N 3.35Å |
| 8 | P | 61.6 | Low | 56.4 | Low | 119 Ų | 119 | 134 Ų | 134 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 122.8 | 167.8 | 25.6 | -29.9 | 0 | 0 | 0 | 108.2 | ||
| 9 | K | 58.7 | Low | 56.4 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 130 | 177 | -159.6 | 172.4 | -174.1 | 171.9 | 0 | 108.5 | M7 | M7-K9 PolarHBondContact O-N 3.35Š|
| 10 | P | 64.8 | Low | 56.2 | Low | 85 Ų | 85 | 129.2 Ų | 129.2 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 144.7 | 179.7 | 24.5 | -33 | 0 | 0 | 0 | 109.7 | D12 Y13 | P10-D12 PolarHBondContact O-N 2.82Å; P10-Y13 HydrophobicContact CB-CE2 4.41Å |
| 11 | P | 60.7 | Low | 56.1 | Low | 97 Ų | 97 | 127.4 Ų | 127.4 | 63% | 0.63 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 132.5 | 177.9 | 23.9 | -32.2 | 0 | 0 | 0 | 109.6 | Y13 | P11-Y13 HydrophobicContact CG-CE1 4.25Å; P11-Y13 VanDerWaalsContact O-CD2 3.28Å; P11-Y13 WeakPolarHBondContact O-CD2 3.42Å; P11-Y13 VanDerWaalsContact O-CE2 3.23Å; P11-Y13 WeakPolarHBondContact O-CE2 3.37Å; P11-Y13 PolarHBondContact O-N 2.93Å |
| 12 | D | 59.2 | Low | 56.5 | Low | 112 Ų | 112 | 122.6 Ų | 122.6 | 60% | 0.599 | 67% | 0.667 | S | S | * | * | trans | -69 | 99.8 | -177.4 | -149.4 | -36.6 | 0 | 0 | 0 | 109.5 | P10 S14 E15 | P10-D12 PolarHBondContact O-N 2.82Å; D12-S14 PolarHBondContact O-N 3.32Å; D12-S14 VanDerWaalsContact O-N 3.12Å; D12-S14 WeakPolarHBondContact OD1-CB 3.22Å; D12-S14 PolarHBondContact OD1-OG 3.01Å; D12-E15 PolarHBondContact O-N 2.77Å | ||
| 13 | Y | 55.2 | Low | 56.6 | Low | 147 Ų | 147 | 118.5 Ų | 118.5 | 58% | 0.576 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.3 | -13.2 | -178.1 | -47.3 | -81.9 | 0 | 0 | 0 | 112.9 | P10 P11 L16 N17 | P10-Y13 HydrophobicContact CB-CE2 4.41Å; P11-Y13 HydrophobicContact CG-CE1 4.25Å; P11-Y13 VanDerWaalsContact O-CD2 3.28Å; P11-Y13 WeakPolarHBondContact O-CD2 3.42Å; P11-Y13 VanDerWaalsContact O-CE2 3.23Å; P11-Y13 WeakPolarHBondContact O-CE2 3.37Å; P11-Y13 PolarHBondContact O-N 2.93Å; Y13-L16 PolarHBondContact O-N 3.39Å; Y13-N17 PolarHBondContact O-N 3.49Å; Y13-N17 VanDerWaalsContact O-N 3.11Å; Y13-N17 PolarHBondContact O-ND2 3.23Å; Y13-N17 PolarHBondContact O-OD1 3.01Å |
| 14 | S | 58.3 | Low | 56.3 | Low | 69 Ų | 69 | 119.6 Ų | 119.6 | 48% | 0.483 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -67.1 | -45.1 | -179.7 | -39.6 | 0 | 0 | 0 | 0 | 111.4 | D12 L16 N17 D18 | D12-S14 PolarHBondContact O-N 3.32Å; D12-S14 VanDerWaalsContact O-N 3.12Å; D12-S14 WeakPolarHBondContact OD1-CB 3.22Å; D12-S14 PolarHBondContact OD1-OG 3.01Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 3.24Å; S14-N17 PolarHBondContact O-N 2.81Å; S14-D18 PolarHBondContact O-N 2.79Å |
| 15 | E | 57.6 | Low | 56.2 | Low | 148 Ų | 148 | 113.2 Ų | 113.2 | 69% | 0.692 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70 | -30.3 | 177.8 | -74.4 | -147 | 112.7 | 0 | 0 | 112.7 | D12 S19 | D12-E15 PolarHBondContact O-N 2.77Å; E15-S19 WeakPolarHBondContact O-CB 3.37Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 2.71Å |
| 16 | L | 57.5 | Low | 56.2 | Low | 109 Ų | 109 | 114.2 Ų | 114.2 | 57% | 0.571 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.7 | -39.1 | 174.8 | -162.4 | 81 | 0 | 0 | 0 | 110.6 | Y13 S14 S19 L20 | Y13-L16 PolarHBondContact O-N 3.39Å; S14-L16 VanDerWaalsContact C-N 3.32Å; S14-L16 PolarHBondContact O-N 3.24Å; L16-S19 PolarHBondContact O-N 2.69Å; L16-L20 HydrophobicContact CG-CD1 4.4Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 PolarHBondContact O-N 3.47Å |
| 17 | N | 57.1 | Low | 55.7 | Low | 92 Ų | 92 | 107.8 Ų | 107.8 | 49% | 0.492 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -71.3 | -35.3 | 177.4 | -66.7 | -19 | 0 | 0 | 0 | 112.2 | Y13 S14 L20 T21 | Y13-N17 PolarHBondContact O-N 3.49Å; Y13-N17 VanDerWaalsContact O-N 3.11Å; Y13-N17 PolarHBondContact O-ND2 3.23Å; Y13-N17 PolarHBondContact O-OD1 3.01Å; S14-N17 PolarHBondContact O-N 2.81Å; N17-L20 PolarHBondContact O-N 3.26Å; N17-T21 WeakPolarHBondContact O-CB 3.33Å; N17-T21 WeakPolarHBondContact O-CG2 3.03Å; N17-T21 PolarHBondContact O-N 2.76Å; N17-T21 PolarHBondContact O-OG1 2.87Å |
| 18 | D | 59.7 | Low | 55 | Low | 106 Ų | 106 | 110.9 Ų | 110.9 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 171.2 | -76.8 | -29.4 | 0 | 0 | 0 | 110.7 | S14 T21 L22 | S14-D18 PolarHBondContact O-N 2.79Å; D18-T21 WeakPolarHBondContact CA-OG1 3.18Å; D18-T21 PolarHBondContact O-N 3.47Å; D18-T21 PolarHBondContact O-OG1 2.83Å; D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.1Å; D18-L22 PolarHBondContact O-N 3.23Å |
| 19 | S | 55.8 | Low | 54.2 | Low | 75 Ų | 75 | 114.5 Ų | 114.5 | 52% | 0.524 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.8 | -37.2 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 112.7 | E15 L16 A23 | E15-S19 WeakPolarHBondContact O-CB 3.37Å; E15-S19 PolarHBondContact O-N 3.44Å; E15-S19 PolarHBondContact O-OG 2.71Å; L16-S19 PolarHBondContact O-N 2.69Å; S19-A23 VanDerWaalsContact O-CB 3.23Å; S19-A23 WeakPolarHBondContact O-CB 3.17Å; S19-A23 PolarHBondContact O-N 3.28Å |
| 20 | L | 53.4 | Low | 53.9 | Low | 97 Ų | 97 | 110.2 Ų | 110.2 | 51% | 0.508 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -72.6 | -34.4 | 176.5 | -124.6 | 114.1 | 0 | 0 | 0 | 111.7 | L16 N17 A23 V24 | L16-L20 HydrophobicContact CG-CD1 4.4Å; L16-L20 VanDerWaalsContact O-CB 3.29Å; L16-L20 WeakPolarHBondContact O-CB 3.3Å; L16-L20 PolarHBondContact O-N 3.47Å; N17-L20 PolarHBondContact O-N 3.26Å; L20-A23 CarbonylContact O-C 3.55Å; L20-A23 PolarHBondContact O-N 2.91Å; L20-V24 HydrophobicContact CD2-CG2 4.36Å; L20-V24 WeakPolarHBondContact O-CB 3.4Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.48Å |
| 21 | T | 53.2 | Low | 53.4 | Low | 92 Ų | 92 | 108.3 Ų | 108.3 | 56% | 0.564 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -75.1 | -32.3 | 174.1 | 48.3 | 0 | 0 | 0 | 0 | 111.5 | N17 D18 A23 G25 | N17-T21 WeakPolarHBondContact O-CB 3.33Å; N17-T21 WeakPolarHBondContact O-CG2 3.03Å; N17-T21 PolarHBondContact O-N 2.76Å; N17-T21 PolarHBondContact O-OG1 2.87Å; D18-T21 WeakPolarHBondContact CA-OG1 3.18Å; D18-T21 PolarHBondContact O-N 3.47Å; D18-T21 PolarHBondContact O-OG1 2.83Å; T21-A23 VanDerWaalsContact C-N 3.35Å; T21-G25 PolarHBondContact O-N 3.45Å; T21-G25 VanDerWaalsContact O-N 3.12Å |
| 22 | L | 52.2 | Low | 52.9 | Low | 146 Ų | 146 | 108.7 Ų | 108.7 | 76% | 0.764 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.7 | -34.6 | 168.3 | -125.1 | 151.5 | 0 | 0 | 0 | 112.1 | D18 | D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.1Å; D18-L22 PolarHBondContact O-N 3.23Å |
| 23 | A | 50.3 | Low | 52.4 | Low | 62 Ų | 62 | 109 Ų | 109 | 51% | 0.512 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -85.2 | -23 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S19 L20 T21 G25 T26 | S19-A23 VanDerWaalsContact O-CB 3.23Å; S19-A23 WeakPolarHBondContact O-CB 3.17Å; S19-A23 PolarHBondContact O-N 3.28Å; L20-A23 CarbonylContact O-C 3.55Å; L20-A23 PolarHBondContact O-N 2.91Å; T21-A23 VanDerWaalsContact C-N 3.35Å; A23-G25 VanDerWaalsContact C-N 3.33Å; A23-T26 PolarHBondContact O-OG1 3.02Å |
| 24 | V | 48.7 | Very low | 52 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -85.2 | -10.3 | 173.4 | 169.5 | 0 | 0 | 0 | 0 | 111.4 | L20 T26 | L20-V24 HydrophobicContact CD2-CG2 4.36Å; L20-V24 WeakPolarHBondContact O-CB 3.4Å; L20-V24 WeakPolarHBondContact O-CG2 3.42Å; L20-V24 PolarHBondContact O-N 3.48Å; V24-T26 PolarHBondContact O-N 3.4Å |
| 25 | G | 45.3 | Very low | 51.4 | Low | 63 Ų | 63 | 115 Ų | 115 | 65% | 0.649 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -14.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T21 A23 G27 | T21-G25 PolarHBondContact O-N 3.45Å; T21-G25 VanDerWaalsContact O-N 3.12Å; A23-G25 VanDerWaalsContact C-N 3.33Å; G25-G27 PolarHBondContact O-N 3.31Å |
| 26 | T | 51 | Low | 50.9 | Low | 123 Ų | 123 | 110.6 Ų | 110.6 | 76% | 0.755 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -94 | 56.1 | 176.7 | 49.6 | 0 | 0 | 0 | 0 | 112.3 | A23 V24 | A23-T26 PolarHBondContact O-OG1 3.02Å; V24-T26 PolarHBondContact O-N 3.4Å |
| 27 | G | 49.7 | Very low | 50.3 | Low | 59 Ų | 59 | 115 Ų | 115 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | trans | -150.8 | 19.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 117 | G25 | G25-G27 PolarHBondContact O-N 3.31Š| ||
| 28 | R | 44.4 | Very low | 49.9 | Very low | 230 Ų | 230 | 120.3 Ų | 120.3 | 87% | 0.868 | 65% | 0.652 | S | S | * | * | trans | -128.9 | 96.2 | 161.3 | -111.5 | -178.7 | -166.3 | 179 | 5.7 | 109.8 | S30 | R28-S30 PolarHBondContact O-N 3.46Š| ||
| 29 | F | 44.8 | Very low | 49.5 | Very low | 194 Ų | 194 | 121.9 Ų | 121.9 | 85% | 0.851 | 66% | 0.658 | S | S | * | * | trans | -60.1 | 50.7 | 162.6 | -93.4 | -93.3 | 0 | 0 | 0 | 112.2 | ||||
| 30 | S | 52.1 | Low | 49.2 | Very low | 102 Ų | 102 | 122.1 Ų | 122.1 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | trans | -122 | 84.6 | 175.6 | -76.7 | 0 | 0 | 0 | 0 | 109.7 | R28 | R28-S30 PolarHBondContact O-N 3.46Š| ||
| 31 | G | 55.7 | Low | 49.7 | Very low | 46 Ų | 46 | 121.9 Ų | 121.9 | 47% | 0.474 | 65% | 0.651 | S | S | . | * | S | Bend | trans | 102.3 | 81.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 32 | P | 50.5 | Low | 49.8 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 68% | 0.675 | 66% | 0.658 | S | S | * | * | S | Bend | -116.6 | -21.6 | 100.6 | -8.8 | 27 | 0 | 0 | 0 | 112.5 | R35 A36 | P32-R35 PolarHBondContact O-N 3.05Å; P32-A36 WeakPolarHBondContact O-CB 3.35Å; P32-A36 PolarHBondContact O-N 2.93Å | |
| 33 | L | 47.3 | Very low | 50.1 | Low | 119 Ų | 119 | 126.3 Ų | 126.3 | 62% | 0.623 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.4 | -32.6 | -175.8 | -77.2 | 162 | 0 | 0 | 0 | 113.2 | A36 W37 | L33-A36 CarbonylContact O-C 3.58Å; L33-W37 VanDerWaalsContact O-CB 3.31Å; L33-W37 WeakPolarHBondContact O-CB 3.48Å; L33-W37 PolarHBondContact O-N 3.16Å |
| 34 | H | 48.1 | Very low | 50.4 | Low | 135 Ų | 135 | 128.5 Ų | 128.5 | 63% | 0.625 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77 | -28.3 | 175.8 | -159.6 | -105.1 | 0 | 0 | 0 | 112.8 | W37 R38 | H34-W37 PolarHBondContact O-N 3.36Å; H34-R38 PolarHBondContact O-N 3.06Å; H34-R38 VanDerWaalsContact O-N 3.07Å |
| 35 | R | 45.8 | Very low | 51.2 | Low | 207 Ų | 207 | 129.8 Ų | 129.8 | 78% | 0.781 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -78.2 | -33 | 172.2 | -152.9 | 178 | -146.8 | -150.8 | 5.1 | 111.4 | P32 R38 M39 | P32-R35 PolarHBondContact O-N 3.05Å; R35-R38 PolarHBondContact O-N 3.27Å; R35-M39 PolarHBondContact O-N 3.17Å |
| 36 | A | 45.9 | Very low | 51.6 | Low | 55 Ų | 55 | 130.6 Ų | 130.6 | 46% | 0.455 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.9 | -28.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P32 L33 M39 M40 | P32-A36 WeakPolarHBondContact O-CB 3.35Å; P32-A36 PolarHBondContact O-N 2.93Å; L33-A36 CarbonylContact O-C 3.58Å; A36-M39 CarbonylContact O-C 3.36Å; A36-M39 PolarHBondContact O-N 3.07Å; A36-M40 PolarHBondContact O-N 3.44Å |
| 37 | W | 45.5 | Very low | 52.2 | Low | 201 Ų | 201 | 125.8 Ų | 125.8 | 76% | 0.761 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.5 | -36.7 | 171.5 | -118.4 | 79.3 | 0 | 0 | 0 | 112.3 | L33 H34 M39 M40 | L33-W37 VanDerWaalsContact O-CB 3.31Å; L33-W37 WeakPolarHBondContact O-CB 3.48Å; L33-W37 PolarHBondContact O-N 3.16Å; H34-W37 PolarHBondContact O-N 3.36Å; W37-M39 VanDerWaalsContact C-N 3.27Å; W37-M40 PolarHBondContact O-N 3.29Å |
| 38 | R | 48.8 | Very low | 52.8 | Low | 204 Ų | 204 | 131.3 Ų | 131.3 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.7 | -23.4 | 171.2 | -161.8 | -178.3 | -65.6 | 173.7 | -1.1 | 112.4 | H34 R35 | H34-R38 PolarHBondContact O-N 3.06Å; H34-R38 VanDerWaalsContact O-N 3.07Å; R35-R38 PolarHBondContact O-N 3.27Å |
| 39 | M | 51.2 | Low | 53.7 | Low | 140 Ų | 140 | 125.5 Ų | 125.5 | 69% | 0.69 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | 62.2 | 166.6 | -70.7 | -138.1 | -65.2 | 0 | 0 | 110.7 | R35 A36 W37 N41 | R35-M39 PolarHBondContact O-N 3.17Å; A36-M39 CarbonylContact O-C 3.36Å; A36-M39 PolarHBondContact O-N 3.07Å; W37-M39 VanDerWaalsContact C-N 3.27Å; M39-N41 PolarHBondContact O-N 3.06Å |
| 40 | M | 50.1 | Low | 54.7 | Low | 79 Ų | 79 | 116.7 Ų | 116.7 | 39% | 0.389 | 56% | 0.559 | S | S | . | * | trans | -54.4 | 114.4 | 157.7 | -73 | 170.1 | 74.4 | 0 | 0 | 106.2 | A36 W37 F42 R45 | A36-M40 PolarHBondContact O-N 3.44Å; W37-M40 PolarHBondContact O-N 3.29Å; M40-F42 PolarHBondContact O-N 3.15Å; M40-R45 HydrophobicContact CB-CG 3.91Å; M40-R45 HydrophobicContact CE-CG 4.36Å; M40-R45 PolarHBondContact SD-NE 3Å; M40-R45 PolarHBondContact SD-NH2 2.94Å | ||
| 41 | N | 63.1 | Low | 55.3 | Low | 92 Ų | 92 | 115.3 Ų | 115.3 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | trans | -38.1 | 117.9 | -169.9 | -60.4 | -73.5 | 0 | 0 | 0 | 108.4 | M39 R43 Q44 R45 | M39-N41 PolarHBondContact O-N 3.06Å; N41-R43 HydrophobicContact CB-CB 4.29Å; N41-R43 CarbonylContact O-C 3Å; N41-R43 PolarHBondContact O-N 3.02Å; N41-Q44 HydrophobicContact CB-CB 4.12Å; N41-Q44 HydrophobicContact CB-CG 4.46Å; N41-Q44 PolarHBondContact ND2-OE1 3.46Å; N41-Q44 VanDerWaalsContact ND2-OE1 3.08Å; N41-Q44 WeakPolarHBondContact O-CA 3.36Å; N41-Q44 WeakPolarHBondContact O-CB 3.48Å; N41-Q44 PolarHBondContact O-N 2.62Å; N41-R45 PolarHBondContact O-N 2.68Å | ||
| 42 | F | 56.1 | Low | 55.7 | Low | 166 Ų | 166 | 115.1 Ų | 115.1 | 73% | 0.728 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -47.4 | -34.4 | 177.6 | -176 | -97.7 | 0 | 0 | 0 | 110.4 | M40 R45 M46 | M40-F42 PolarHBondContact O-N 3.15Å; F42-R45 PolarHBondContact O-N 3.05Å; F42-M46 HydrophobicContact CE1-SD 4.08Å; F42-M46 HydrophobicContact CZ-SD 3.94Å; F42-M46 WeakPolarHBondContact O-CB 3.47Å; F42-M46 PolarHBondContact O-N 3.48Å |
| 43 | R | 58.7 | Low | 56.4 | Low | 165 Ų | 165 | 114.1 Ų | 114.1 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -54.3 | -47.1 | 167.7 | -62.8 | 171.9 | 139.1 | -103.1 | -9.5 | 115.3 | N41 G47 C127 | N41-R43 HydrophobicContact CB-CB 4.29Å; N41-R43 CarbonylContact O-C 3Å; N41-R43 PolarHBondContact O-N 3.02Å; R43-G47 PolarHBondContact O-N 3.46Å; R43-G47 VanDerWaalsContact O-N 3.16Å; R43-C127 PolarHBondContact NH2-O 2.94Å |
| 44 | Q | 55.1 | Low | 57.1 | Low | 108 Ų | 108 | 114.9 Ų | 114.9 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.8 | -46.7 | 174 | -95.4 | 178.8 | -40.2 | 0 | 0 | 112.2 | N41 M46 G47 W48 | N41-Q44 HydrophobicContact CB-CB 4.12Å; N41-Q44 HydrophobicContact CB-CG 4.46Å; N41-Q44 PolarHBondContact ND2-OE1 3.46Å; N41-Q44 VanDerWaalsContact ND2-OE1 3.08Å; N41-Q44 WeakPolarHBondContact O-CA 3.36Å; N41-Q44 WeakPolarHBondContact O-CB 3.48Å; N41-Q44 PolarHBondContact O-N 2.62Å; Q44-M46 VanDerWaalsContact C-N 3.26Å; Q44-M46 PolarHBondContact O-N 2.89Å; Q44-G47 WeakPolarHBondContact O-CA 3.15Å; Q44-G47 PolarHBondContact O-N 3.14Å; Q44-G47 VanDerWaalsContact O-N 3.08Å; Q44-W48 PolarHBondContact O-N 3.47Å |
| 45 | R | 65.6 | Low | 58 | Low | 133 Ų | 133 | 114.1 Ų | 114.1 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -38.3 | -179.5 | -78.3 | -172.4 | 165.8 | -162.3 | 2.8 | 112 | M40 N41 F42 W48 I49 | M40-R45 HydrophobicContact CB-CG 3.91Å; M40-R45 HydrophobicContact CE-CG 4.36Å; M40-R45 PolarHBondContact SD-NE 3Å; M40-R45 PolarHBondContact SD-NH2 2.94Å; N41-R45 PolarHBondContact O-N 2.68Å; F42-R45 PolarHBondContact O-N 3.05Å; R45-W48 PolarHBondContact O-N 3.29Å; R45-I49 PolarHBondContact O-N 2.84Å |
| 46 | M | 54.2 | Low | 59 | Low | 80 Ų | 80 | 110 Ų | 110 | 39% | 0.394 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -73.6 | -31.3 | 177.3 | -153.4 | 102.3 | -177.4 | 0 | 0 | 111.2 | F42 Q44 I49 G50 F123 | F42-M46 HydrophobicContact CE1-SD 4.08Å; F42-M46 HydrophobicContact CZ-SD 3.94Å; F42-M46 WeakPolarHBondContact O-CB 3.47Å; F42-M46 PolarHBondContact O-N 3.48Å; Q44-M46 VanDerWaalsContact C-N 3.26Å; Q44-M46 PolarHBondContact O-N 2.89Å; M46-I49 WeakPolarHBondContact O-CB 3.24Å; M46-I49 PolarHBondContact O-N 3.44Å; M46-G50 PolarHBondContact O-N 3.29Å; M46-G50 VanDerWaalsContact O-N 3.09Å; M46-F123 HydrophobicContact CB-CE2 3.88Å; M46-F123 HydrophobicContact CB-CZ 3.54Å; M46-F123 HydrophobicContact CG-CE2 3.3Å; M46-F123 HydrophobicContact CG-CZ 3.53Å; M46-F123 WeakPolarHBondContact O-CE2 3.26Å; M46-F123 WeakPolarHBondContact O-CZ 3.33Å |
| 47 | G | 64.1 | Low | 59.9 | Low | 23 Ų | 23 | 109.1 Ų | 109.1 | 24% | 0.237 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113 | R43 Q44 I49 G50 V51 F123 | R43-G47 PolarHBondContact O-N 3.46Å; R43-G47 VanDerWaalsContact O-N 3.16Å; Q44-G47 WeakPolarHBondContact O-CA 3.15Å; Q44-G47 PolarHBondContact O-N 3.14Å; Q44-G47 VanDerWaalsContact O-N 3.08Å; G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 3.07Å; G47-G50 WeakPolarHBondContact O-CA 3.22Å; G47-G50 PolarHBondContact O-N 3.12Å; G47-G50 VanDerWaalsContact O-N 3.09Å; G47-V51 WeakPolarHBondContact O-CG2 3.45Å; G47-V51 PolarHBondContact O-N 2.83Å; G47-F123 VanDerWaalsContact N-CZ 3.34Å |
| 48 | W | 61.2 | Low | 60.8 | Low | 175 Ų | 175 | 101.4 Ų | 101.4 | 66% | 0.663 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -33.2 | 172.8 | -77.9 | 102.5 | 0 | 0 | 0 | 112.8 | Q44 R45 G50 V51 G52 | Q44-W48 PolarHBondContact O-N 3.47Å; R45-W48 PolarHBondContact O-N 3.29Å; W48-G50 VanDerWaalsContact C-N 3.34Å; W48-V51 PolarHBondContact O-N 3Å; W48-G52 PolarHBondContact O-N 3.1Å |
| 49 | I | 64.3 | Low | 61.5 | Low | 108 Ų | 108 | 94.4 Ų | 94.4 | 55% | 0.554 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 171.3 | -73.7 | 160.5 | 0 | 0 | 0 | 110.7 | R45 M46 G47 G52 L53 | R45-I49 PolarHBondContact O-N 2.84Å; M46-I49 WeakPolarHBondContact O-CB 3.24Å; M46-I49 PolarHBondContact O-N 3.44Å; G47-I49 VanDerWaalsContact C-N 3.29Å; G47-I49 PolarHBondContact O-N 3.07Å; I49-G52 PolarHBondContact O-N 3.47Å; I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.43Å; I49-L53 PolarHBondContact O-N 3.41Å |
| 50 | G | 64.8 | Low | 62.1 | Low | 9 Ų | 9 | 89.8 Ų | 89.8 | 9% | 0.093 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113 | M46 G47 W48 L53 Y54 | M46-G50 PolarHBondContact O-N 3.29Å; M46-G50 VanDerWaalsContact O-N 3.09Å; G47-G50 WeakPolarHBondContact O-CA 3.22Å; G47-G50 PolarHBondContact O-N 3.12Å; G47-G50 VanDerWaalsContact O-N 3.09Å; W48-G50 VanDerWaalsContact C-N 3.34Å; G50-L53 PolarHBondContact O-N 2.82Å; G50-Y54 WeakPolarHBondContact O-CB 3.45Å; G50-Y54 PolarHBondContact O-N 2.87Å |
| 51 | V | 64.4 | Low | 62.8 | Low | 73 Ų | 73 | 87.1 Ų | 87.1 | 44% | 0.442 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | G47 W48 L53 Y54 L55 | G47-V51 WeakPolarHBondContact O-CG2 3.45Å; G47-V51 PolarHBondContact O-N 2.83Å; W48-V51 PolarHBondContact O-N 3Å; V51-L53 PolarHBondContact O-N 3.35Å; V51-Y54 WeakPolarHBondContact O-CB 3.47Å; V51-Y54 PolarHBondContact O-N 3.12Å; V51-L55 PolarHBondContact O-N 3.5Å |
| 52 | G | 64.3 | Low | 62.9 | Low | 41 Ų | 41 | 89.6 Ų | 89.6 | 42% | 0.423 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.1 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W48 I49 L55 L56 | W48-G52 PolarHBondContact O-N 3.1Å; I49-G52 PolarHBondContact O-N 3.47Å; G52-L55 PolarHBondContact O-N 3.1Å; G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.15Å |
| 53 | L | 65.3 | Low | 63.5 | Low | 84 Ų | 84 | 88.2 Ų | 88.2 | 44% | 0.44 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68 | -38.7 | 175.5 | -164.2 | 76.5 | 0 | 0 | 0 | 111.9 | I49 G50 V51 L56 A57 Q119 | I49-L53 VanDerWaalsContact O-CB 3.29Å; I49-L53 WeakPolarHBondContact O-CB 3.43Å; I49-L53 PolarHBondContact O-N 3.41Å; G50-L53 PolarHBondContact O-N 2.82Å; V51-L53 PolarHBondContact O-N 3.35Å; L53-L56 PolarHBondContact O-N 3.28Å; L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 3.23Å; L53-Q119 HydrophobicContact CD2-CG 4.02Å |
| 54 | Y | 63.6 | Low | 63.7 | Low | 134 Ų | 134 | 87 Ų | 87 | 53% | 0.525 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 174 | 176.6 | -96.7 | 0 | 0 | 0 | 111.7 | G50 V51 A57 S58 P116 | G50-Y54 WeakPolarHBondContact O-CB 3.45Å; G50-Y54 PolarHBondContact O-N 2.87Å; V51-Y54 WeakPolarHBondContact O-CB 3.47Å; V51-Y54 PolarHBondContact O-N 3.12Å; Y54-A57 PolarHBondContact O-N 3.49Å; Y54-S58 WeakPolarHBondContact O-CB 3.25Å; Y54-S58 PolarHBondContact O-N 2.93Å; Y54-S58 PolarHBondContact O-OG 3.41Å; Y54-P116 HydrophobicContact CD2-CB 4.42Å |
| 55 | L | 66.9 | Low | 64.2 | Low | 119 Ų | 119 | 84.1 Ų | 84.1 | 62% | 0.623 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 177.4 | -136.3 | 85.3 | 0 | 0 | 0 | 111.2 | V51 G52 S58 A59 | V51-L55 PolarHBondContact O-N 3.5Å; G52-L55 PolarHBondContact O-N 3.1Å; L55-S58 PolarHBondContact O-N 3.37Å; L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.4Å; L55-A59 PolarHBondContact O-N 2.99Å |
| 56 | L | 66.9 | Low | 64 | Low | 120 Ų | 120 | 84.5 Ų | 84.5 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 179.2 | -165.4 | 76.1 | 0 | 0 | 0 | 111.7 | G52 L53 A59 A60 | G52-L56 WeakPolarHBondContact O-CB 3.49Å; G52-L56 PolarHBondContact O-N 3.15Å; L53-L56 PolarHBondContact O-N 3.28Å; L56-A59 PolarHBondContact O-N 3.44Å; L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 2.92Å; L56-A60 PolarHBondContact O-N 3.28Å |
| 57 | A | 64.5 | Low | 64.5 | Low | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | L53 Y54 A60 A61 | L53-A57 VanDerWaalsContact O-CB 3.29Å; L53-A57 WeakPolarHBondContact O-CB 3.21Å; L53-A57 PolarHBondContact O-N 3.23Å; Y54-A57 PolarHBondContact O-N 3.49Å; A57-A60 PolarHBondContact O-N 2.74Å; A57-A61 VanDerWaalsContact O-CB 3.28Å; A57-A61 WeakPolarHBondContact O-CB 2.94Å; A57-A61 PolarHBondContact O-N 3.36Å |
| 58 | S | 63.5 | Low | 64.4 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | Y54 L55 A61 F62 | Y54-S58 WeakPolarHBondContact O-CB 3.25Å; Y54-S58 PolarHBondContact O-N 2.93Å; Y54-S58 PolarHBondContact O-OG 3.41Å; L55-S58 PolarHBondContact O-N 3.37Å; S58-A61 PolarHBondContact O-N 2.88Å; S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 WeakPolarHBondContact O-CD2 3.39Å; S58-F62 PolarHBondContact O-N 3.23Å |
| 59 | A | 63.9 | Low | 64.1 | Low | 56 Ų | 56 | 83.5 Ų | 83.5 | 46% | 0.463 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L55 L56 F62 Y63 | L55-A59 VanDerWaalsContact O-CB 3.31Å; L55-A59 WeakPolarHBondContact O-CB 3.4Å; L55-A59 PolarHBondContact O-N 2.99Å; L56-A59 PolarHBondContact O-N 3.44Å; A59-F62 PolarHBondContact O-N 2.73Å; A59-Y63 VanDerWaalsContact O-CB 3.26Å; A59-Y63 WeakPolarHBondContact O-CB 3.19Å; A59-Y63 PolarHBondContact O-N 3.49Å |
| 60 | A | 64 | Low | 63.8 | Low | 43 Ų | 43 | 85.1 Ų | 85.1 | 36% | 0.355 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L56 A57 Y63 Y64 | L56-A60 VanDerWaalsContact O-CB 3.26Å; L56-A60 WeakPolarHBondContact O-CB 2.92Å; L56-A60 PolarHBondContact O-N 3.28Å; A57-A60 PolarHBondContact O-N 2.74Å; A60-Y63 PolarHBondContact O-N 3.36Å; A60-Y64 WeakPolarHBondContact O-CB 3.26Å; A60-Y64 VanDerWaalsContact O-CD2 3.25Å; A60-Y64 WeakPolarHBondContact O-CD2 3.4Å; A60-Y64 PolarHBondContact O-N 2.79Å |
| 61 | A | 65.2 | Low | 63.5 | Low | 23 Ų | 23 | 87.7 Ų | 87.7 | 19% | 0.19 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A57 S58 Y63 Y64 V65 I112 | A57-A61 VanDerWaalsContact O-CB 3.28Å; A57-A61 WeakPolarHBondContact O-CB 2.94Å; A57-A61 PolarHBondContact O-N 3.36Å; S58-A61 PolarHBondContact O-N 2.88Å; A61-Y63 PolarHBondContact O-N 3.35Å; A61-Y64 PolarHBondContact O-N 2.85Å; A61-V65 WeakPolarHBondContact O-CB 3.28Å; A61-V65 WeakPolarHBondContact O-CG2 3.17Å; A61-V65 PolarHBondContact O-N 3.08Å; A61-I112 HydrophobicContact CB-CG2 4.16Å |
| 62 | F | 64.6 | Low | 63 | Low | 144 Ų | 144 | 89.4 Ų | 89.4 | 63% | 0.632 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -60.1 | -44 | 174.8 | -100.1 | -83.8 | 0 | 0 | 0 | 112.4 | S58 A59 V65 F66 | S58-F62 WeakPolarHBondContact O-CB 3.27Å; S58-F62 WeakPolarHBondContact O-CD2 3.39Å; S58-F62 PolarHBondContact O-N 3.23Å; A59-F62 PolarHBondContact O-N 2.73Å; F62-V65 PolarHBondContact O-N 3.22Å; F62-F66 HydrophobicContact CD1-CD2 4.45Å; F62-F66 HydrophobicContact CD1-CE2 4.4Å; F62-F66 PolarHBondContact O-N 2.77Å |
| 63 | Y | 68.8 | Low | 62.6 | Low | 138 Ų | 138 | 92.1 Ų | 92.1 | 54% | 0.541 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.2 | -50.1 | 176.9 | 179.6 | -89.8 | 0 | 0 | 0 | 110.9 | A59 A60 A61 V65 F66 E67 | A59-Y63 VanDerWaalsContact O-CB 3.26Å; A59-Y63 WeakPolarHBondContact O-CB 3.19Å; A59-Y63 PolarHBondContact O-N 3.49Å; A60-Y63 PolarHBondContact O-N 3.36Å; A61-Y63 PolarHBondContact O-N 3.35Å; Y63-V65 VanDerWaalsContact C-N 3.34Å; Y63-V65 PolarHBondContact O-N 2.88Å; Y63-F66 PolarHBondContact O-N 2.96Å; Y63-E67 HydrophobicContact CE1-CB 4.28Å; Y63-E67 VanDerWaalsContact CE1-CD 3.43Å; Y63-E67 HydrophobicContact CE1-CG 4.35Å; Y63-E67 WeakPolarHBondContact CE1-OE1 3.46Å; Y63-E67 WeakPolarHBondContact CE1-OE2 3.21Å; Y63-E67 VanDerWaalsContact O-CB 3.24Å; Y63-E67 WeakPolarHBondContact O-CB 3.43Å; Y63-E67 PolarHBondContact O-N 2.94Å; Y63-E67 PolarHBondContact OH-OE1 2.77Å |
| 64 | Y | 63.8 | Low | 62.2 | Low | 138 Ų | 138 | 96 Ų | 96 | 54% | 0.541 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.3 | -91.3 | -69.3 | 0 | 0 | 0 | 112.7 | A60 A61 I68 | A60-Y64 WeakPolarHBondContact O-CB 3.26Å; A60-Y64 VanDerWaalsContact O-CD2 3.25Å; A60-Y64 WeakPolarHBondContact O-CD2 3.4Å; A60-Y64 PolarHBondContact O-N 2.79Å; A61-Y64 PolarHBondContact O-N 2.85Å; Y64-I68 HydrophobicContact CD1-CD1 4.49Å; Y64-I68 WeakPolarHBondContact O-CB 3.37Å; Y64-I68 WeakPolarHBondContact O-CD1 3.43Å; Y64-I68 WeakPolarHBondContact O-CG1 3.47Å; Y64-I68 PolarHBondContact O-N 3.38Å |
| 65 | V | 64 | Low | 61.8 | Low | 48 Ų | 48 | 94.2 Ų | 94.2 | 29% | 0.291 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.6 | -47 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | A61 F62 Y63 N69 W109 | A61-V65 WeakPolarHBondContact O-CB 3.28Å; A61-V65 WeakPolarHBondContact O-CG2 3.17Å; A61-V65 PolarHBondContact O-N 3.08Å; F62-V65 PolarHBondContact O-N 3.22Å; Y63-V65 VanDerWaalsContact C-N 3.34Å; Y63-V65 PolarHBondContact O-N 2.88Å; V65-N69 WeakPolarHBondContact O-CB 3.16Å; V65-N69 PolarHBondContact O-N 2.98Å; V65-W109 HydrophobicContact CB-CH2 4.41Å; V65-W109 HydrophobicContact CG2-CH2 3.04Å; V65-W109 HydrophobicContact CG2-CZ2 3.36Å; V65-W109 HydrophobicContact CG2-CZ3 3.99Å |
| 66 | F | 63 | Low | 61.3 | Low | 141 Ų | 141 | 90.8 Ų | 90.8 | 62% | 0.618 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 178.2 | -98.8 | -85.6 | 0 | 0 | 0 | 111.8 | F62 Y63 N69 E70 | F62-F66 HydrophobicContact CD1-CD2 4.45Å; F62-F66 HydrophobicContact CD1-CE2 4.4Å; F62-F66 PolarHBondContact O-N 2.77Å; Y63-F66 PolarHBondContact O-N 2.96Å; F66-N69 PolarHBondContact O-N 3.46Å; F66-E70 VanDerWaalsContact O-CB 3.25Å; F66-E70 WeakPolarHBondContact O-CB 3.19Å; F66-E70 PolarHBondContact O-N 3.26Å |
| 67 | E | 63.3 | Low | 60.8 | Low | 71 Ų | 71 | 89.8 Ų | 89.8 | 33% | 0.332 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | -177.9 | -165.1 | -175.5 | -132.2 | 0 | 0 | 111.8 | Y63 T71 | Y63-E67 HydrophobicContact CE1-CB 4.28Å; Y63-E67 VanDerWaalsContact CE1-CD 3.43Å; Y63-E67 HydrophobicContact CE1-CG 4.35Å; Y63-E67 WeakPolarHBondContact CE1-OE1 3.46Å; Y63-E67 WeakPolarHBondContact CE1-OE2 3.21Å; Y63-E67 VanDerWaalsContact O-CB 3.24Å; Y63-E67 WeakPolarHBondContact O-CB 3.43Å; Y63-E67 PolarHBondContact O-N 2.94Å; Y63-E67 PolarHBondContact OH-OE1 2.77Å; E67-T71 WeakPolarHBondContact O-CB 3.4Å; E67-T71 PolarHBondContact O-N 2.77Å; E67-T71 PolarHBondContact O-OG1 3.45Å |
| 68 | I | 61.4 | Low | 60.4 | Low | 81 Ų | 81 | 92.3 Ų | 92.3 | 42% | 0.415 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -45.3 | 171.7 | -70.4 | 168.7 | 0 | 0 | 0 | 109.6 | Y64 E70 Y72 | Y64-I68 HydrophobicContact CD1-CD1 4.49Å; Y64-I68 WeakPolarHBondContact O-CB 3.37Å; Y64-I68 WeakPolarHBondContact O-CD1 3.43Å; Y64-I68 WeakPolarHBondContact O-CG1 3.47Å; Y64-I68 PolarHBondContact O-N 3.38Å; I68-E70 PolarHBondContact O-N 2.8Å; I68-Y72 HydrophobicContact CB-CE2 4.38Å; I68-Y72 HydrophobicContact CG2-CD2 3.83Å; I68-Y72 HydrophobicContact CG2-CE2 3.59Å; I68-Y72 WeakPolarHBondContact O-CB 3.38Å; I68-Y72 WeakPolarHBondContact O-CD2 2.93Å; I68-Y72 PolarHBondContact O-N 3.34Å; I68-Y72 VanDerWaalsContact O-N 3.08Å |
| 69 | N | 56.8 | Low | 59.9 | Low | 106 Ų | 106 | 96.4 Ų | 96.4 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | -178.4 | -153.9 | -13.7 | 0 | 0 | 0 | 111.5 | V65 F66 Y72 N73 | V65-N69 WeakPolarHBondContact O-CB 3.16Å; V65-N69 PolarHBondContact O-N 2.98Å; F66-N69 PolarHBondContact O-N 3.46Å; N69-Y72 PolarHBondContact O-N 3.32Å; N69-N73 VanDerWaalsContact O-CB 3.24Å; N69-N73 WeakPolarHBondContact O-CB 3.43Å; N69-N73 PolarHBondContact O-N 3.37Å |
| 70 | E | 57.8 | Low | 59.6 | Low | 142 Ų | 142 | 100.4 Ų | 100.4 | 66% | 0.664 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | -179.9 | -164.7 | 176.7 | -153.3 | 0 | 0 | 112.5 | F66 I68 Y72 N73 R74 | F66-E70 VanDerWaalsContact O-CB 3.25Å; F66-E70 WeakPolarHBondContact O-CB 3.19Å; F66-E70 PolarHBondContact O-N 3.26Å; I68-E70 PolarHBondContact O-N 2.8Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.81Å; E70-N73 PolarHBondContact O-N 2.9Å; E70-R74 WeakPolarHBondContact O-CB 3.24Å; E70-R74 PolarHBondContact O-N 2.87Å |
| 71 | T | 57.2 | Low | 59 | Low | 63 Ų | 63 | 105.8 Ų | 105.8 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -39.3 | 177 | -59 | 0 | 0 | 0 | 0 | 111.4 | E67 L75 | E67-T71 WeakPolarHBondContact O-CB 3.4Å; E67-T71 PolarHBondContact O-N 2.77Å; E67-T71 PolarHBondContact O-OG1 3.45Å; T71-L75 HydrophobicContact CG2-CD1 4.08Å; T71-L75 WeakPolarHBondContact O-CD1 3.4Å; T71-L75 VanDerWaalsContact O-CG 3.29Å; T71-L75 WeakPolarHBondContact O-CG 3.47Å; T71-L75 PolarHBondContact O-N 2.9Å |
| 72 | Y | 54.1 | Low | 58.3 | Low | 108 Ų | 108 | 111.9 Ų | 111.9 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -77.5 | -34.1 | -179.8 | -75.7 | -116.3 | 0 | 0 | 0 | 112 | I68 N69 E70 A76 | I68-Y72 HydrophobicContact CB-CE2 4.38Å; I68-Y72 HydrophobicContact CG2-CD2 3.83Å; I68-Y72 HydrophobicContact CG2-CE2 3.59Å; I68-Y72 WeakPolarHBondContact O-CB 3.38Å; I68-Y72 WeakPolarHBondContact O-CD2 2.93Å; I68-Y72 PolarHBondContact O-N 3.34Å; I68-Y72 VanDerWaalsContact O-N 3.08Å; N69-Y72 PolarHBondContact O-N 3.32Å; E70-Y72 VanDerWaalsContact C-N 3.31Å; E70-Y72 PolarHBondContact O-N 2.81Å; Y72-A76 WeakPolarHBondContact O-CB 3.47Å; Y72-A76 PolarHBondContact O-N 3.38Å |
| 73 | N | 55.9 | Low | 57.5 | Low | 98 Ų | 98 | 110 Ų | 110 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -37.7 | 176.2 | -147.9 | 21 | 0 | 0 | 0 | 111.1 | N69 E70 L77 | N69-N73 VanDerWaalsContact O-CB 3.24Å; N69-N73 WeakPolarHBondContact O-CB 3.43Å; N69-N73 PolarHBondContact O-N 3.37Å; E70-N73 PolarHBondContact O-N 2.9Å; N73-L77 WeakPolarHBondContact O-CB 3.08Å; N73-L77 PolarHBondContact O-N 3.47Å |
| 74 | R | 56.6 | Low | 56.5 | Low | 166 Ų | 166 | 109.3 Ų | 109.3 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.7 | -45.4 | 176.4 | -143.6 | -174.2 | 90.6 | -136.8 | 3.4 | 112.1 | E70 L77 E78 | E70-R74 WeakPolarHBondContact O-CB 3.24Å; E70-R74 PolarHBondContact O-N 2.87Å; R74-L77 PolarHBondContact O-N 3.39Å; R74-E78 WeakPolarHBondContact O-CB 3.2Å; R74-E78 PolarHBondContact O-N 2.82Å |
| 75 | L | 54.9 | Low | 55.7 | Low | 97 Ų | 97 | 110 Ų | 110 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 179.1 | -69.8 | 168.9 | 0 | 0 | 0 | 112.8 | T71 H79 | T71-L75 HydrophobicContact CG2-CD1 4.08Å; T71-L75 WeakPolarHBondContact O-CD1 3.4Å; T71-L75 VanDerWaalsContact O-CG 3.29Å; T71-L75 WeakPolarHBondContact O-CG 3.47Å; T71-L75 PolarHBondContact O-N 2.9Å; L75-H79 WeakPolarHBondContact O-CB 3.23Å; L75-H79 PolarHBondContact O-N 3.41Å |
| 76 | A | 57.6 | Low | 54.4 | Low | 47 Ų | 47 | 114.9 Ų | 114.9 | 39% | 0.388 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.9 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | Y72 I80 | Y72-A76 WeakPolarHBondContact O-CB 3.47Å; Y72-A76 PolarHBondContact O-N 3.38Å; A76-I80 WeakPolarHBondContact O-CG1 2.84Å; A76-I80 PolarHBondContact O-N 2.97Å; A76-I80 VanDerWaalsContact O-N 3.15Å |
| 77 | L | 56 | Low | 54.1 | Low | 99 Ų | 99 | 113.8 Ų | 113.8 | 52% | 0.518 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.7 | -43.2 | 173.5 | -104.5 | 144.9 | 0 | 0 | 0 | 111.8 | N73 R74 H79 I80 Q81 | N73-L77 WeakPolarHBondContact O-CB 3.08Å; N73-L77 PolarHBondContact O-N 3.47Å; R74-L77 PolarHBondContact O-N 3.39Å; L77-H79 VanDerWaalsContact C-N 3.35Å; L77-H79 PolarHBondContact O-N 2.82Å; L77-I80 PolarHBondContact O-N 2.78Å; L77-Q81 VanDerWaalsContact O-CB 3.25Å; L77-Q81 WeakPolarHBondContact O-CB 3.18Å; L77-Q81 PolarHBondContact O-N 3.16Å |
| 78 | E | 57 | Low | 53.1 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 43% | 0.425 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.8 | -38.5 | 179.7 | -148.1 | 169.9 | -175.8 | 0 | 0 | 111.8 | R74 Q82 | R74-E78 WeakPolarHBondContact O-CB 3.2Å; R74-E78 PolarHBondContact O-N 2.82Å; E78-Q82 WeakPolarHBondContact O-CB 3.41Å; E78-Q82 PolarHBondContact O-N 3.28Å; E78-Q82 VanDerWaalsContact O-N 3.12Å |
| 79 | H | 52.7 | Low | 52.4 | Low | 125 Ų | 125 | 121.6 Ų | 121.6 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.8 | -35.1 | 179.7 | -157.2 | 67.6 | 0 | 0 | 0 | 113.6 | L75 L77 H83 | L75-H79 WeakPolarHBondContact O-CB 3.23Å; L75-H79 PolarHBondContact O-N 3.41Å; L77-H79 VanDerWaalsContact C-N 3.35Å; L77-H79 PolarHBondContact O-N 2.82Å; H79-H83 PolarHBondContact O-N 3.46Å |
| 80 | I | 56.1 | Low | 51.8 | Low | 139 Ų | 139 | 119.2 Ų | 119.2 | 71% | 0.713 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73.8 | -31.7 | 175.5 | -66.3 | 173.9 | 0 | 0 | 0 | 110.9 | A76 L77 | A76-I80 WeakPolarHBondContact O-CG1 2.84Å; A76-I80 PolarHBondContact O-N 2.97Å; A76-I80 VanDerWaalsContact O-N 3.15Å; L77-I80 PolarHBondContact O-N 2.78Å |
| 81 | Q | 52.7 | Low | 51.6 | Low | 157 Ų | 157 | 116.6 Ų | 116.6 | 73% | 0.734 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -82.3 | -20.3 | -178 | -152.3 | 170.4 | -16.1 | 0 | 0 | 113 | L77 | L77-Q81 VanDerWaalsContact O-CB 3.25Å; L77-Q81 WeakPolarHBondContact O-CB 3.18Å; L77-Q81 PolarHBondContact O-N 3.16Å |
| 82 | Q | 50 | Low | 51.4 | Low | 150 Ų | 150 | 118.6 Ų | 118.6 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -97.1 | -9.7 | 177.8 | -76.6 | -167.8 | -68.7 | 0 | 0 | 116.1 | E78 | E78-Q82 WeakPolarHBondContact O-CB 3.41Å; E78-Q82 PolarHBondContact O-N 3.28Å; E78-Q82 VanDerWaalsContact O-N 3.12Å |
| 83 | H | 46.9 | Very low | 50.9 | Low | 106 Ų | 106 | 120.9 Ų | 120.9 | 49% | 0.491 | 62% | 0.623 | S | S | . | * | trans | -133.1 | 87.8 | -174.4 | -126.1 | -82.6 | 0 | 0 | 0 | 114.1 | H79 E85 E86 | H79-H83 PolarHBondContact O-N 3.46Å; H83-E85 PolarHBondContact CE1-O 3.47Å; H83-E85 PolarHBondContact ND1-O 2.97Å; H83-E86 PolarHBondContact CE1-O 2.8Å | ||
| 84 | P | 48.9 | Very low | 50.7 | Low | 122 Ų | 122 | 120.3 Ų | 120.3 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -84.5 | -12.1 | 153.8 | -14 | 30.3 | 0 | 0 | 0 | 114.1 | ||
| 85 | E | 45.8 | Very low | 50.4 | Low | 154 Ų | 154 | 118.8 Ų | 118.8 | 72% | 0.72 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -136.9 | 114.1 | -168.5 | -81.9 | -92.4 | 103 | 0 | 0 | 112.9 | H83 | H83-E85 PolarHBondContact CE1-O 3.47Å; H83-E85 PolarHBondContact ND1-O 2.97Å |
| 86 | E | 38.5 | Very low | 50 | Low | 150 Ų | 150 | 117.4 Ų | 117.4 | 70% | 0.701 | 62% | 0.621 | S | S | * | * | trans | 117.9 | 135.4 | 148.7 | -59.4 | -134.7 | 100.6 | 0 | 0 | 119 | H83 | H83-E86 PolarHBondContact CE1-O 2.8Š| ||
| 87 | P | 55 | Low | 49.8 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 76% | 0.76 | 62% | 0.62 | S | S | * | * | trans | -95.1 | 114.3 | -172.3 | 35 | -23.6 | 0 | 0 | 0 | 110.3 | ||||
| 88 | L | 42.7 | Very low | 49.6 | Very low | 137 Ų | 137 | 119 Ų | 119 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | trans | -137.8 | 130 | 177 | -113.9 | 149.3 | 0 | 0 | 0 | 112.3 | G90 | L88-G90 PolarHBondContact O-N 3.43Š| ||
| 89 | E | 46.3 | Very low | 49.4 | Very low | 180 Ų | 180 | 117.2 Ų | 117.2 | 84% | 0.841 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | 14.9 | -167.8 | -63.7 | 172.9 | 97.3 | 0 | 0 | 116.4 | ||
| 90 | G | 45.5 | Very low | 49.3 | Very low | 55 Ų | 55 | 118 Ų | 118 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -7.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L88 | L88-G90 PolarHBondContact O-N 3.43Š|
| 91 | T | 53.2 | Low | 49.2 | Very low | 88 Ų | 88 | 116.1 Ų | 116.1 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -76.7 | -23.4 | -175.6 | 41.5 | 0 | 0 | 0 | 0 | 113.9 | T94 H95 | T91-T94 PolarHBondContact O-OG1 3.48Å; T91-H95 WeakPolarHBondContact O-CB 3.12Å; T91-H95 PolarHBondContact O-N 2.76Å |
| 92 | T | 52.6 | Low | 49.2 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.6 | -34.1 | -175.8 | 32.6 | 0 | 0 | 0 | 0 | 113.6 | S96 | T92-S96 VanDerWaalsContact O-CB 3.3Å; T92-S96 WeakPolarHBondContact O-CB 3.15Å; T92-S96 PolarHBondContact O-N 3.44Å |
| 93 | W | 43.5 | Very low | 49.2 | Very low | 155 Ų | 155 | 110.8 Ų | 110.8 | 59% | 0.587 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -75.5 | -40 | -179.6 | -152.3 | 82.7 | 0 | 0 | 0 | 112.1 | H95 S96 L97 | W93-H95 VanDerWaalsContact C-N 3.35Å; W93-S96 PolarHBondContact O-N 2.92Å; W93-L97 HydrophobicContact CD2-CD1 4.37Å; W93-L97 HydrophobicContact CD2-CG 4.47Å; W93-L97 HydrophobicContact CE3-CD1 3.48Å; W93-L97 VanDerWaalsContact CE3-CD1 3.48Å; W93-L97 HydrophobicContact CE3-CG 4.02Å; W93-L97 HydrophobicContact CH2-CD1 3.8Å; W93-L97 HydrophobicContact CH2-CG 4.35Å; W93-L97 HydrophobicContact CZ3-CD1 3.16Å; W93-L97 HydrophobicContact CZ3-CG 3.99Å; W93-L97 WeakPolarHBondContact O-CB 3.42Å; W93-L97 PolarHBondContact O-N 2.87Å |
| 94 | T | 51.3 | Low | 49.1 | Very low | 87 Ų | 87 | 109.4 Ų | 109.4 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -65.7 | -39.2 | 172.4 | 56.6 | 0 | 0 | 0 | 0 | 110.6 | T91 L97 K98 | T91-T94 PolarHBondContact O-OG1 3.48Å; T94-L97 PolarHBondContact O-N 3.41Å; T94-K98 VanDerWaalsContact O-CB 3.24Å; T94-K98 WeakPolarHBondContact O-CB 3.19Å; T94-K98 PolarHBondContact O-N 2.84Å |
| 95 | H | 50.8 | Low | 49.7 | Very low | 133 Ų | 133 | 105 Ų | 105 | 62% | 0.616 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66 | -36.4 | 174.8 | -148.3 | -101.1 | 0 | 0 | 0 | 113 | T91 W93 K98 A99 | T91-H95 WeakPolarHBondContact O-CB 3.12Å; T91-H95 PolarHBondContact O-N 2.76Å; W93-H95 VanDerWaalsContact C-N 3.35Å; H95-K98 WeakPolarHBondContact O-CB 3.33Å; H95-K98 PolarHBondContact O-N 3.43Å; H95-A99 WeakPolarHBondContact O-CB 3.39Å; H95-A99 PolarHBondContact O-N 3.28Å |
| 96 | S | 47.9 | Very low | 50.1 | Low | 69 Ų | 69 | 105.2 Ų | 105.2 | 48% | 0.483 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.6 | -37.3 | 176.6 | -161.7 | 0 | 0 | 0 | 0 | 112.3 | T92 W93 A99 R100 | T92-S96 VanDerWaalsContact O-CB 3.3Å; T92-S96 WeakPolarHBondContact O-CB 3.15Å; T92-S96 PolarHBondContact O-N 3.44Å; W93-S96 PolarHBondContact O-N 2.92Å; S96-A99 PolarHBondContact O-N 2.72Å; S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 WeakPolarHBondContact O-CG 3.29Å; S96-R100 PolarHBondContact O-N 2.95Å |
| 97 | L | 51.6 | Low | 50.5 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -37.7 | 166.6 | -80.5 | -175.4 | 0 | 0 | 0 | 111.9 | W93 T94 R100 L101 | W93-L97 HydrophobicContact CD2-CD1 4.37Å; W93-L97 HydrophobicContact CD2-CG 4.47Å; W93-L97 HydrophobicContact CE3-CD1 3.48Å; W93-L97 VanDerWaalsContact CE3-CD1 3.48Å; W93-L97 HydrophobicContact CE3-CG 4.02Å; W93-L97 HydrophobicContact CH2-CD1 3.8Å; W93-L97 HydrophobicContact CH2-CG 4.35Å; W93-L97 HydrophobicContact CZ3-CD1 3.16Å; W93-L97 HydrophobicContact CZ3-CG 3.99Å; W93-L97 WeakPolarHBondContact O-CB 3.42Å; W93-L97 PolarHBondContact O-N 2.87Å; T94-L97 PolarHBondContact O-N 3.41Å; L97-R100 CarbonylContact O-C 3.58Å; L97-R100 PolarHBondContact O-N 2.99Å; L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 PolarHBondContact O-N 3.33Å |
| 98 | K | 51.6 | Low | 50.8 | Low | 111 Ų | 111 | 105.1 Ų | 105.1 | 48% | 0.483 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 174.5 | -144.6 | 176 | -174.4 | 175.6 | 0 | 110.6 | T94 H95 R100 L101 L102 | T94-K98 VanDerWaalsContact O-CB 3.24Å; T94-K98 WeakPolarHBondContact O-CB 3.19Å; T94-K98 PolarHBondContact O-N 2.84Å; H95-K98 WeakPolarHBondContact O-CB 3.33Å; H95-K98 PolarHBondContact O-N 3.43Å; K98-R100 VanDerWaalsContact C-N 3.34Å; K98-L101 CarbonylContact O-C 3.55Å; K98-L101 PolarHBondContact O-N 3.07Å; K98-L102 WeakPolarHBondContact O-CA 3.49Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 PolarHBondContact O-N 3.34Å |
| 99 | A | 53.6 | Low | 51.4 | Low | 53 Ų | 53 | 104.6 Ų | 104.6 | 44% | 0.438 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -32.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H95 S96 L102 S103 | H95-A99 WeakPolarHBondContact O-CB 3.39Å; H95-A99 PolarHBondContact O-N 3.28Å; S96-A99 PolarHBondContact O-N 2.72Å; A99-L102 CarbonylContact O-C 3.52Å; A99-L102 PolarHBondContact O-N 3.13Å; A99-S103 WeakPolarHBondContact O-CB 3.11Å; A99-S103 PolarHBondContact O-N 3.24Å; A99-S103 PolarHBondContact O-OG 3.4Å |
| 100 | R | 51.8 | Low | 51.8 | Low | 141 Ų | 141 | 99 Ų | 99 | 53% | 0.532 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.7 | -37.7 | 170.9 | -79.2 | -171.7 | 174 | -170.1 | 1.3 | 112.7 | S96 L97 K98 L102 S103 L104 | S96-R100 WeakPolarHBondContact O-CB 3.45Å; S96-R100 WeakPolarHBondContact O-CG 3.29Å; S96-R100 PolarHBondContact O-N 2.95Å; L97-R100 CarbonylContact O-C 3.58Å; L97-R100 PolarHBondContact O-N 2.99Å; K98-R100 VanDerWaalsContact C-N 3.34Å; R100-L102 VanDerWaalsContact C-N 3.28Å; R100-S103 WeakPolarHBondContact CA-OG 3.41Å; R100-S103 PolarHBondContact O-N 3.14Å; R100-S103 PolarHBondContact O-OG 3.18Å; R100-L104 WeakPolarHBondContact O-CB 3.21Å; R100-L104 WeakPolarHBondContact O-CD1 3.26Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.28Å |
| 101 | L | 53.1 | Low | 52.6 | Low | 99 Ų | 99 | 98.6 Ų | 98.6 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -74.8 | -13.9 | 170.9 | -87 | 153.5 | 0 | 0 | 0 | 113 | L97 K98 P105 | L97-L101 WeakPolarHBondContact O-CB 3.29Å; L97-L101 PolarHBondContact O-N 3.33Å; K98-L101 CarbonylContact O-C 3.55Å; K98-L101 PolarHBondContact O-N 3.07Å; L101-P105 WeakPolarHBondContact O-CD 2.96Å; L101-P105 WeakPolarHBondContact O-CG 3.43Å |
| 102 | L | 52.7 | Low | 53.2 | Low | 122 Ų | 122 | 97.8 Ų | 97.8 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -95.6 | -20.2 | 170.8 | -102.8 | 150.9 | 0 | 0 | 0 | 114 | K98 A99 R100 P105 | K98-L102 WeakPolarHBondContact O-CA 3.49Å; K98-L102 WeakPolarHBondContact O-CB 3.35Å; K98-L102 PolarHBondContact O-N 3.34Å; A99-L102 CarbonylContact O-C 3.52Å; A99-L102 PolarHBondContact O-N 3.13Å; R100-L102 VanDerWaalsContact C-N 3.28Å; L102-P105 WeakPolarHBondContact O-CD 3.28Å; L102-P105 WeakPolarHBondContact O-CG 3.46Å |
| 103 | S | 49 | Very low | 53.6 | Low | 73 Ų | 73 | 100.3 Ų | 100.3 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -95.9 | -31.8 | 169.6 | 53.8 | 0 | 0 | 0 | 0 | 114 | A99 R100 | A99-S103 WeakPolarHBondContact O-CB 3.11Å; A99-S103 PolarHBondContact O-N 3.24Å; A99-S103 PolarHBondContact O-OG 3.4Å; R100-S103 WeakPolarHBondContact CA-OG 3.41Å; R100-S103 PolarHBondContact O-N 3.14Å; R100-S103 PolarHBondContact O-OG 3.18Å |
| 104 | L | 46.4 | Very low | 54.6 | Low | 77 Ų | 77 | 97.2 Ų | 97.2 | 40% | 0.403 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -34.3 | 163 | -88.6 | 155.7 | 0 | 0 | 0 | 116 | R100 W107 L108 | R100-L104 WeakPolarHBondContact O-CB 3.21Å; R100-L104 WeakPolarHBondContact O-CD1 3.26Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.28Å; L104-W107 PolarHBondContact O-N 3.18Å; L104-L108 VanDerWaalsContact O-CB 3.28Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 PolarHBondContact O-N 2.8Å |
| 105 | P | 60.5 | Low | 55.2 | Low | 30 Ų | 30 | 96.6 Ų | 96.6 | 20% | 0.195 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -71.3 | -40.5 | -179.8 | 36.2 | -27.1 | 0 | 0 | 0 | 108.3 | L101 L102 W107 L108 W109 | L101-P105 WeakPolarHBondContact O-CD 2.96Å; L101-P105 WeakPolarHBondContact O-CG 3.43Å; L102-P105 WeakPolarHBondContact O-CD 3.28Å; L102-P105 WeakPolarHBondContact O-CG 3.46Å; P105-W107 PolarHBondContact O-N 3.25Å; P105-W107 VanDerWaalsContact O-N 3.14Å; P105-L108 CarbonylContact O-C 3.54Å; P105-L108 PolarHBondContact O-N 2.93Å; P105-W109 WeakPolarHBondContact O-CB 3.37Å; P105-W109 PolarHBondContact O-N 3.36Å |
| 106 | F | 53.7 | Low | 55.9 | Low | 158 Ų | 158 | 91.5 Ų | 91.5 | 69% | 0.693 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -56.3 | -40.8 | 178.3 | -157.6 | -89.7 | 0 | 0 | 0 | 111.8 | T110 | F106-T110 VanDerWaalsContact O-CB 3.27Å; F106-T110 WeakPolarHBondContact O-CB 3.33Å; F106-T110 PolarHBondContact O-N 3.48Å; F106-T110 PolarHBondContact O-OG1 3.34Å |
| 107 | W | 48.6 | Very low | 56.5 | Low | 175 Ų | 175 | 96.1 Ų | 96.1 | 66% | 0.663 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70.9 | -40.6 | 172.9 | -112 | 84.9 | 0 | 0 | 0 | 113.6 | L104 P105 T110 I111 | L104-W107 PolarHBondContact O-N 3.18Å; P105-W107 PolarHBondContact O-N 3.25Å; P105-W107 VanDerWaalsContact O-N 3.14Å; W107-T110 PolarHBondContact O-N 2.91Å; W107-I111 HydrophobicContact CE3-CD1 3.61Å; W107-I111 HydrophobicContact CE3-CG1 3.96Å; W107-I111 HydrophobicContact CZ3-CD1 3.92Å; W107-I111 HydrophobicContact CZ3-CG1 4.22Å; W107-I111 WeakPolarHBondContact O-CB 3.41Å; W107-I111 VanDerWaalsContact O-CG1 3.26Å; W107-I111 WeakPolarHBondContact O-CG1 2.82Å; W107-I111 PolarHBondContact O-N 3.5Å |
| 108 | L | 59.5 | Low | 57 | Low | 90 Ų | 90 | 96.3 Ų | 96.3 | 47% | 0.471 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 175.2 | -104 | 158.1 | 0 | 0 | 0 | 112.2 | L104 P105 I111 I112 | L104-L108 VanDerWaalsContact O-CB 3.28Å; L104-L108 WeakPolarHBondContact O-CB 3.25Å; L104-L108 PolarHBondContact O-N 2.8Å; P105-L108 CarbonylContact O-C 3.54Å; P105-L108 PolarHBondContact O-N 2.93Å; L108-I111 CarbonylContact O-C 3.57Å; L108-I111 PolarHBondContact O-N 3.42Å; L108-I112 HydrophobicContact CD2-CD1 4.49Å; L108-I112 VanDerWaalsContact O-CB 3.23Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 WeakPolarHBondContact O-CD1 3.11Å; L108-I112 WeakPolarHBondContact O-CG1 3.13Å; L108-I112 PolarHBondContact O-N 2.8Å |
| 109 | W | 56.7 | Low | 57.6 | Low | 126 Ų | 126 | 94.8 Ų | 94.8 | 48% | 0.477 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.5 | -44.4 | 174.1 | -82.1 | 88.1 | 0 | 0 | 0 | 110.6 | V65 P105 I111 I112 F113 | V65-W109 HydrophobicContact CB-CH2 4.41Å; V65-W109 HydrophobicContact CG2-CH2 3.04Å; V65-W109 HydrophobicContact CG2-CZ2 3.36Å; V65-W109 HydrophobicContact CG2-CZ3 3.99Å; P105-W109 WeakPolarHBondContact O-CB 3.37Å; P105-W109 PolarHBondContact O-N 3.36Å; W109-I111 VanDerWaalsContact C-N 3.34Å; W109-I111 PolarHBondContact O-N 2.83Å; W109-I112 PolarHBondContact O-N 3.36Å; W109-F113 WeakPolarHBondContact O-CB 3.24Å; W109-F113 PolarHBondContact O-N 2.81Å |
| 110 | T | 54.9 | Low | 58 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 39% | 0.393 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 173 | -55.4 | 0 | 0 | 0 | 0 | 110.2 | F106 W107 F113 L114 | F106-T110 VanDerWaalsContact O-CB 3.27Å; F106-T110 WeakPolarHBondContact O-CB 3.33Å; F106-T110 PolarHBondContact O-N 3.48Å; F106-T110 PolarHBondContact O-OG1 3.34Å; W107-T110 PolarHBondContact O-N 2.91Å; T110-F113 PolarHBondContact O-N 3.06Å; T110-L114 WeakPolarHBondContact O-CA 3.35Å; T110-L114 WeakPolarHBondContact O-CB 3.19Å; T110-L114 PolarHBondContact O-N 3.13Å |
| 111 | I | 61.2 | Low | 58.5 | Low | 46 Ų | 46 | 95.4 Ų | 95.4 | 24% | 0.236 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 174.3 | -71.8 | 173 | 0 | 0 | 0 | 111 | W107 L108 W109 F113 L114 V115 | W107-I111 HydrophobicContact CE3-CD1 3.61Å; W107-I111 HydrophobicContact CE3-CG1 3.96Å; W107-I111 HydrophobicContact CZ3-CD1 3.92Å; W107-I111 HydrophobicContact CZ3-CG1 4.22Å; W107-I111 WeakPolarHBondContact O-CB 3.41Å; W107-I111 VanDerWaalsContact O-CG1 3.26Å; W107-I111 WeakPolarHBondContact O-CG1 2.82Å; W107-I111 PolarHBondContact O-N 3.5Å; L108-I111 CarbonylContact O-C 3.57Å; L108-I111 PolarHBondContact O-N 3.42Å; W109-I111 VanDerWaalsContact C-N 3.34Å; W109-I111 PolarHBondContact O-N 2.83Å; I111-F113 VanDerWaalsContact C-N 3.26Å; I111-F113 PolarHBondContact O-N 2.71Å; I111-L114 PolarHBondContact O-N 3.5Å; I111-V115 HydrophobicContact CG2-CG2 3.71Å; I111-V115 WeakPolarHBondContact O-CB 3.25Å; I111-V115 WeakPolarHBondContact O-CG2 3.38Å; I111-V115 PolarHBondContact O-N 3.43Å |
| 112 | I | 66.9 | Low | 59 | Low | 70 Ų | 70 | 92.1 Ų | 92.1 | 36% | 0.359 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.2 | -33 | 178.5 | -81.1 | 165 | 0 | 0 | 0 | 111.5 | A61 L108 W109 P116 | A61-I112 HydrophobicContact CB-CG2 4.16Å; L108-I112 HydrophobicContact CD2-CD1 4.49Å; L108-I112 VanDerWaalsContact O-CB 3.23Å; L108-I112 WeakPolarHBondContact O-CB 3.36Å; L108-I112 WeakPolarHBondContact O-CD1 3.11Å; L108-I112 WeakPolarHBondContact O-CG1 3.13Å; L108-I112 PolarHBondContact O-N 2.8Å; W109-I112 PolarHBondContact O-N 3.36Å; I112-P116 WeakPolarHBondContact O-CD 3.26Å; I112-P116 WeakPolarHBondContact O-CG 2.95Å |
| 113 | F | 60.7 | Low | 59.4 | Low | 159 Ų | 159 | 88.4 Ų | 88.4 | 70% | 0.697 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -84.7 | -34.8 | 174.9 | -126.1 | -87 | 0 | 0 | 0 | 112.4 | W109 T110 I111 P116 Y117 | W109-F113 WeakPolarHBondContact O-CB 3.24Å; W109-F113 PolarHBondContact O-N 2.81Å; T110-F113 PolarHBondContact O-N 3.06Å; I111-F113 VanDerWaalsContact C-N 3.26Å; I111-F113 PolarHBondContact O-N 2.71Å; F113-P116 WeakPolarHBondContact O-CD 3.41Å; F113-P116 WeakPolarHBondContact O-CG 3.3Å; F113-Y117 WeakPolarHBondContact O-CB 3.15Å; F113-Y117 PolarHBondContact O-N 2.84Å |
| 114 | L | 63.2 | Low | 60.2 | Low | 89 Ų | 89 | 90.3 Ų | 90.3 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -76.1 | -38 | -177.1 | -173.6 | 69.9 | 0 | 0 | 0 | 111.5 | T110 I111 Y117 L118 | T110-L114 WeakPolarHBondContact O-CA 3.35Å; T110-L114 WeakPolarHBondContact O-CB 3.19Å; T110-L114 PolarHBondContact O-N 3.13Å; I111-L114 PolarHBondContact O-N 3.5Å; L114-Y117 PolarHBondContact O-N 3.03Å; L114-L118 HydrophobicContact CD1-CD1 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 PolarHBondContact O-N 2.92Å |
| 115 | V | 65.4 | Low | 60.9 | Low | 74 Ų | 74 | 91 Ų | 91 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.6 | -52.1 | 177.8 | 167.5 | 0 | 0 | 0 | 0 | 112.3 | I111 Y117 L118 Q119 | I111-V115 HydrophobicContact CG2-CG2 3.71Å; I111-V115 WeakPolarHBondContact O-CB 3.25Å; I111-V115 WeakPolarHBondContact O-CG2 3.38Å; I111-V115 PolarHBondContact O-N 3.43Å; V115-Y117 VanDerWaalsContact C-N 3.3Å; V115-Y117 PolarHBondContact O-N 3.28Å; V115-L118 PolarHBondContact O-N 3.14Å; V115-Q119 WeakPolarHBondContact O-CB 3.31Å; V115-Q119 PolarHBondContact O-N 3.37Å |
| 116 | P | 63.8 | Low | 60.6 | Low | 26 Ų | 26 | 91.5 Ų | 91.5 | 17% | 0.169 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -66 | -33.5 | 176.5 | 24.1 | -31.9 | 0 | 0 | 0 | 111.9 | Y54 I112 F113 Q119 M120 | Y54-P116 HydrophobicContact CD2-CB 4.42Å; I112-P116 WeakPolarHBondContact O-CD 3.26Å; I112-P116 WeakPolarHBondContact O-CG 2.95Å; F113-P116 WeakPolarHBondContact O-CD 3.41Å; F113-P116 WeakPolarHBondContact O-CG 3.3Å; P116-Q119 PolarHBondContact O-N 3.38Å; P116-M120 WeakPolarHBondContact O-CB 3.24Å; P116-M120 VanDerWaalsContact O-CG 3.24Å; P116-M120 WeakPolarHBondContact O-CG 3.44Å; P116-M120 PolarHBondContact O-N 3.49Å |
| 117 | Y | 61.8 | Low | 60.6 | Low | 167 Ų | 167 | 85.7 Ų | 85.7 | 66% | 0.655 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -67.6 | -47.5 | 176.9 | -161.1 | -92.2 | 0 | 0 | 0 | 112.1 | F113 L114 V115 Q119 M120 F121 | F113-Y117 WeakPolarHBondContact O-CB 3.15Å; F113-Y117 PolarHBondContact O-N 2.84Å; L114-Y117 PolarHBondContact O-N 3.03Å; V115-Y117 VanDerWaalsContact C-N 3.3Å; V115-Y117 PolarHBondContact O-N 3.28Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Y117-M120 PolarHBondContact O-N 3.38Å; Y117-F121 WeakPolarHBondContact O-CB 3.49Å; Y117-F121 PolarHBondContact O-N 3.41Å |
| 118 | L | 62.6 | Low | 60.8 | Low | 72 Ų | 72 | 83 Ų | 83 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 173.3 | -130.4 | 89.5 | 0 | 0 | 0 | 110.1 | L114 V115 M120 F121 L122 I142 | L114-L118 HydrophobicContact CD1-CD1 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.35Å; L114-L118 WeakPolarHBondContact O-CB 3.49Å; L114-L118 PolarHBondContact O-N 2.92Å; V115-L118 PolarHBondContact O-N 3.14Å; L118-M120 PolarHBondContact O-N 2.89Å; L118-F121 PolarHBondContact O-N 2.89Å; L118-F121 VanDerWaalsContact O-N 3.16Å; L118-L122 HydrophobicContact CB-CD1 4.18Å; L118-L122 HydrophobicContact CD2-CD1 3.87Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 PolarHBondContact O-N 2.87Å; L118-I142 HydrophobicContact CD2-CD1 4.12Å; L118-I142 HydrophobicContact CD2-CG1 4.25Å |
| 119 | Q | 62.6 | Low | 60.2 | Low | 80 Ų | 80 | 86.1 Ų | 86.1 | 37% | 0.374 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 178.8 | -170.7 | 76.9 | -7.3 | 0 | 0 | 111.1 | L53 V115 P116 Y117 F121 F123 | L53-Q119 HydrophobicContact CD2-CG 4.02Å; V115-Q119 WeakPolarHBondContact O-CB 3.31Å; V115-Q119 PolarHBondContact O-N 3.37Å; P116-Q119 PolarHBondContact O-N 3.38Å; Y117-Q119 VanDerWaalsContact C-N 3.34Å; Q119-F121 VanDerWaalsContact C-N 3.35Å; Q119-F123 WeakPolarHBondContact O-CB 3.4Å; Q119-F123 PolarHBondContact O-N 3.39Å |
| 120 | M | 63.6 | Low | 59.9 | Low | 72 Ų | 72 | 84.8 Ų | 84.8 | 36% | 0.355 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 176.6 | -70.5 | -59.8 | -69.4 | 0 | 0 | 112.3 | P116 Y117 L118 F123 L124 | P116-M120 WeakPolarHBondContact O-CB 3.24Å; P116-M120 VanDerWaalsContact O-CG 3.24Å; P116-M120 WeakPolarHBondContact O-CG 3.44Å; P116-M120 PolarHBondContact O-N 3.49Å; Y117-M120 PolarHBondContact O-N 3.38Å; L118-M120 PolarHBondContact O-N 2.89Å; M120-F123 WeakPolarHBondContact O-CB 3.34Å; M120-F123 PolarHBondContact O-N 2.85Å; M120-L124 WeakPolarHBondContact O-CB 3.18Å; M120-L124 PolarHBondContact O-N 2.75Å |
| 121 | F | 61.2 | Low | 59.6 | Low | 135 Ų | 135 | 86.8 Ų | 86.8 | 59% | 0.592 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -68 | -47.1 | 176.6 | -161.8 | -90.5 | 0 | 0 | 0 | 112.1 | Y117 L118 Q119 F123 L124 Y125 | Y117-F121 WeakPolarHBondContact O-CB 3.49Å; Y117-F121 PolarHBondContact O-N 3.41Å; L118-F121 PolarHBondContact O-N 2.89Å; L118-F121 VanDerWaalsContact O-N 3.16Å; Q119-F121 VanDerWaalsContact C-N 3.35Å; F121-F123 PolarHBondContact O-N 3.45Å; F121-L124 PolarHBondContact O-N 3.21Å; F121-Y125 WeakPolarHBondContact O-CB 3.39Å; F121-Y125 PolarHBondContact O-N 3.09Å |
| 122 | L | 62.9 | Low | 59.1 | Low | 30 Ų | 30 | 89.6 Ų | 89.6 | 16% | 0.157 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 173.5 | -87.7 | 85.2 | 0 | 0 | 0 | 111.4 | L118 S126 C138 I142 | L118-L122 HydrophobicContact CB-CD1 4.18Å; L118-L122 HydrophobicContact CD2-CD1 3.87Å; L118-L122 HydrophobicContact CG-CD1 3.77Å; L118-L122 WeakPolarHBondContact O-CB 3.44Å; L118-L122 WeakPolarHBondContact O-CD1 3.44Å; L118-L122 PolarHBondContact O-N 2.87Å; L122-S126 VanDerWaalsContact O-CB 3.28Å; L122-S126 WeakPolarHBondContact O-CB 3.47Å; L122-S126 PolarHBondContact O-N 3.29Å; L122-S126 PolarHBondContact O-OG 3.49Å; L122-C138 HydrophobicContact CD2-CB 3.62Å; L122-C138 HydrophobicContact CG-CB 4.48Å; L122-I142 HydrophobicContact CD2-CD1 4.35Å |
| 123 | F | 63 | Low | 58.4 | Low | 43 Ų | 43 | 94.6 Ų | 94.6 | 19% | 0.189 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -67 | -49.4 | 177.1 | -165.5 | -92.1 | 0 | 0 | 0 | 111.9 | M46 G47 Q119 M120 F121 Y125 S126 C127 | M46-F123 HydrophobicContact CB-CE2 3.88Å; M46-F123 HydrophobicContact CB-CZ 3.54Å; M46-F123 HydrophobicContact CG-CE2 3.3Å; M46-F123 HydrophobicContact CG-CZ 3.53Å; M46-F123 WeakPolarHBondContact O-CE2 3.26Å; M46-F123 WeakPolarHBondContact O-CZ 3.33Å; G47-F123 VanDerWaalsContact N-CZ 3.34Å; Q119-F123 WeakPolarHBondContact O-CB 3.4Å; Q119-F123 PolarHBondContact O-N 3.39Å; M120-F123 WeakPolarHBondContact O-CB 3.34Å; M120-F123 PolarHBondContact O-N 2.85Å; F121-F123 PolarHBondContact O-N 3.45Å; F123-Y125 VanDerWaalsContact C-N 3.33Å; F123-Y125 PolarHBondContact O-N 2.94Å; F123-S126 PolarHBondContact O-N 2.82Å; F123-C127 VanDerWaalsContact CE1-SG 3.55Å; F123-C127 WeakPolarHBondContact O-CB 3.45Å; F123-C127 PolarHBondContact O-N 2.73Å; F123-C127 PolarHBondContact O-SG 2.81Å |
| 124 | L | 65.6 | Low | 57.9 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.7 | -42.1 | 173.2 | -84.1 | 161 | 0 | 0 | 0 | 111.7 | M120 F121 C127 T128 | M120-L124 WeakPolarHBondContact O-CB 3.18Å; M120-L124 PolarHBondContact O-N 2.75Å; F121-L124 PolarHBondContact O-N 3.21Å; L124-C127 WeakPolarHBondContact O-CB 3.46Å; L124-C127 PolarHBondContact O-N 3.43Å; L124-T128 PolarHBondContact O-N 3.43Å; L124-T128 PolarHBondContact O-OG1 3.41Å |
| 125 | Y | 59.7 | Low | 57.3 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 176.9 | -178.6 | -101.9 | 0 | 0 | 0 | 112.3 | F121 F123 C127 T128 R129 | F121-Y125 WeakPolarHBondContact O-CB 3.39Å; F121-Y125 PolarHBondContact O-N 3.09Å; F123-Y125 VanDerWaalsContact C-N 3.33Å; F123-Y125 PolarHBondContact O-N 2.94Å; Y125-C127 VanDerWaalsContact C-N 3.33Å; Y125-C127 PolarHBondContact O-N 2.82Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.13Å; Y125-T128 CarbonylContact O-C 3.46Å; Y125-T128 PolarHBondContact O-N 3.46Å; Y125-T128 VanDerWaalsContact O-N 3.13Å; Y125-T128 PolarHBondContact O-OG1 3.46Å; Y125-T128 VanDerWaalsContact O-OG1 3.06Å; Y125-R129 PolarHBondContact O-N 2.73Å; Y125-R129 PolarHBondContact OH-NH1 2.91Å |
| 126 | S | 54.9 | Low | 56.8 | Low | 40 Ų | 40 | 86.8 Ų | 86.8 | 28% | 0.28 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.3 | -29.9 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | L122 F123 T128 R129 | L122-S126 VanDerWaalsContact O-CB 3.28Å; L122-S126 WeakPolarHBondContact O-CB 3.47Å; L122-S126 PolarHBondContact O-N 3.29Å; L122-S126 PolarHBondContact O-OG 3.49Å; F123-S126 PolarHBondContact O-N 2.82Å; S126-T128 VanDerWaalsContact C-N 3.25Å; S126-T128 PolarHBondContact O-N 3.4Å; S126-R129 CarbonylContact O-C 3.49Å; S126-R129 VanDerWaalsContact O-O 3.07Å |
| 127 | C | 52.8 | Low | 56.3 | Low | 36 Ų | 36 | 93.8 Ų | 93.8 | 24% | 0.243 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -70.3 | -21 | 170.7 | -70.7 | 0 | 0 | 0 | 0 | 112.9 | R43 F123 L124 Y125 | R43-C127 PolarHBondContact NH2-O 2.94Å; F123-C127 VanDerWaalsContact CE1-SG 3.55Å; F123-C127 WeakPolarHBondContact O-CB 3.45Å; F123-C127 PolarHBondContact O-N 2.73Å; F123-C127 PolarHBondContact O-SG 2.81Å; L124-C127 WeakPolarHBondContact O-CB 3.46Å; L124-C127 PolarHBondContact O-N 3.43Å; Y125-C127 VanDerWaalsContact C-N 3.33Å; Y125-C127 PolarHBondContact O-N 2.82Å |
| 128 | T | 54.8 | Low | 56 | Low | 118 Ų | 118 | 88 Ų | 88 | 72% | 0.724 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -97.8 | -24.8 | 175.8 | 27.1 | 0 | 0 | 0 | 0 | 113.2 | L124 Y125 S126 | L124-T128 PolarHBondContact O-N 3.43Å; L124-T128 PolarHBondContact O-OG1 3.41Å; Y125-T128 WeakPolarHBondContact CA-OG1 3.13Å; Y125-T128 CarbonylContact O-C 3.46Å; Y125-T128 PolarHBondContact O-N 3.46Å; Y125-T128 VanDerWaalsContact O-N 3.13Å; Y125-T128 PolarHBondContact O-OG1 3.46Å; Y125-T128 VanDerWaalsContact O-OG1 3.06Å; S126-T128 VanDerWaalsContact C-N 3.25Å; S126-T128 PolarHBondContact O-N 3.4Å |
| 129 | R | 46.4 | Very low | 55.9 | Low | 157 Ų | 157 | 88.9 Ų | 88.9 | 59% | 0.592 | 47% | 0.469 | S | S | * | . | trans | -123.2 | 101.3 | 175.7 | -122.6 | -178.6 | -176.3 | 178.3 | -1.7 | 110.4 | Y125 S126 D131 | Y125-R129 PolarHBondContact O-N 2.73Å; Y125-R129 PolarHBondContact OH-NH1 2.91Å; S126-R129 CarbonylContact O-C 3.49Å; S126-R129 VanDerWaalsContact O-O 3.07Å; R129-D131 PolarHBondContact O-N 3.09Å | ||
| 130 | A | 50.4 | Low | 55.7 | Low | 97 Ų | 97 | 89.1 Ų | 89.1 | 80% | 0.802 | 47% | 0.472 | S | S | * | . | trans | -80.4 | 39.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 131 | D | 48.8 | Very low | 55.5 | Low | 107 Ų | 107 | 89.3 Ų | 89.3 | 57% | 0.572 | 48% | 0.479 | S | S | * | . | trans | -107.9 | 106.6 | 179.4 | -111.2 | -55.5 | 0 | 0 | 0 | 111.3 | R129 K133 | R129-D131 PolarHBondContact O-N 3.09Å; D131-K133 VanDerWaalsContact C-N 3.27Å; D131-K133 PolarHBondContact O-N 3.44Å | ||
| 132 | P | 50.3 | Low | 55.5 | Low | 104 Ų | 104 | 85.3 Ų | 85.3 | 68% | 0.675 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -71.5 | -15.2 | -167.3 | 27.1 | -34.9 | 0 | 0 | 0 | 114.3 | ||
| 133 | K | 52.3 | Low | 55.2 | Low | 176 Ų | 176 | 86.7 Ų | 86.7 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -83.8 | -18.7 | -175 | -58.8 | -142.3 | -179.9 | -179.3 | 0 | 113.8 | D131 Y137 | D131-K133 VanDerWaalsContact C-N 3.27Å; D131-K133 PolarHBondContact O-N 3.44Å; K133-Y137 VanDerWaalsContact O-CD2 3.26Å; K133-Y137 WeakPolarHBondContact O-CD2 3.26Å |
| 134 | T | 50.8 | Low | 55.3 | Low | 72 Ų | 72 | 89.4 Ų | 89.4 | 44% | 0.442 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -90.7 | -27.3 | -179.9 | -41.6 | 0 | 0 | 0 | 0 | 112.5 | G136 Y137 C138 | T134-G136 VanDerWaalsContact C-N 3.27Å; T134-G136 PolarHBondContact O-N 2.91Å; T134-Y137 WeakPolarHBondContact O-CB 3.29Å; T134-Y137 PolarHBondContact O-N 2.95Å; T134-Y137 VanDerWaalsContact O-N 3.07Å; T134-C138 PolarHBondContact O-N 3.02Å |
| 135 | V | 50.4 | Low | 55.1 | Low | 48 Ų | 48 | 86.8 Ų | 86.8 | 29% | 0.291 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 179.3 | -178.6 | 0 | 0 | 0 | 0 | 111.6 | Y137 C138 I139 | V135-Y137 VanDerWaalsContact C-N 3.33Å; V135-Y137 PolarHBondContact O-N 2.97Å; V135-C138 PolarHBondContact O-N 3.35Å; V135-C138 VanDerWaalsContact O-N 3.14Å; V135-I139 HydrophobicContact CG1-CD1 4.43Å; V135-I139 PolarHBondContact O-N 3.16Å; V135-I139 VanDerWaalsContact O-N 3.13Å |
| 136 | G | 54.3 | Low | 54.9 | Low | 38 Ų | 38 | 86.6 Ų | 86.6 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -38.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T134 C138 I139 I140 | T134-G136 VanDerWaalsContact C-N 3.27Å; T134-G136 PolarHBondContact O-N 2.91Å; G136-C138 VanDerWaalsContact C-N 3.28Å; G136-C138 PolarHBondContact O-N 2.68Å; G136-I139 PolarHBondContact O-N 2.94Å; G136-I140 WeakPolarHBondContact O-CG1 3.42Å; G136-I140 PolarHBondContact O-N 3.08Å |
| 137 | Y | 54.2 | Low | 55.2 | Low | 172 Ų | 172 | 90 Ų | 90 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.8 | -25.2 | 175.8 | -70.4 | -75.5 | 0 | 0 | 0 | 113.1 | K133 T134 V135 I140 P141 | K133-Y137 VanDerWaalsContact O-CD2 3.26Å; K133-Y137 WeakPolarHBondContact O-CD2 3.26Å; T134-Y137 WeakPolarHBondContact O-CB 3.29Å; T134-Y137 PolarHBondContact O-N 2.95Å; T134-Y137 VanDerWaalsContact O-N 3.07Å; V135-Y137 VanDerWaalsContact C-N 3.33Å; V135-Y137 PolarHBondContact O-N 2.97Å; Y137-I140 HydrophobicContact CD1-CD1 4.01Å; Y137-P141 WeakPolarHBondContact O-CD 3.47Å |
| 138 | C | 54.7 | Low | 55.5 | Low | 47 Ų | 47 | 91.3 Ų | 91.3 | 32% | 0.318 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -82.4 | -21.6 | 173.9 | -71 | 0 | 0 | 0 | 0 | 113.5 | L122 T134 V135 G136 P141 | L122-C138 HydrophobicContact CD2-CB 3.62Å; L122-C138 HydrophobicContact CG-CB 4.48Å; T134-C138 PolarHBondContact O-N 3.02Å; V135-C138 PolarHBondContact O-N 3.35Å; V135-C138 VanDerWaalsContact O-N 3.14Å; G136-C138 VanDerWaalsContact C-N 3.28Å; G136-C138 PolarHBondContact O-N 2.68Å; C138-P141 VanDerWaalsContact O-CD 3.31Å; C138-P141 WeakPolarHBondContact O-CD 3.31Å; C138-P141 VanDerWaalsContact O-CG 3.29Å; C138-P141 WeakPolarHBondContact O-CG 3.46Å |
| 139 | I | 60.1 | Low | 55.7 | Low | 89 Ų | 89 | 89.3 Ų | 89.3 | 46% | 0.456 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -74.4 | -34 | 170.2 | -78.5 | 164.7 | 0 | 0 | 0 | 111.2 | V135 G136 I142 C143 | V135-I139 HydrophobicContact CG1-CD1 4.43Å; V135-I139 PolarHBondContact O-N 3.16Å; V135-I139 VanDerWaalsContact O-N 3.13Å; G136-I139 PolarHBondContact O-N 2.94Å; I139-I142 PolarHBondContact O-N 3.21Å; I139-C143 PolarHBondContact O-N 3.45Å |
| 140 | I | 59 | Low | 56 | Low | 86 Ų | 86 | 91.1 Ų | 91.1 | 44% | 0.441 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -51.2 | -53 | 177.5 | -70.4 | 173.8 | 0 | 0 | 0 | 112.9 | G136 Y137 I142 C143 L144 | G136-I140 WeakPolarHBondContact O-CG1 3.42Å; G136-I140 PolarHBondContact O-N 3.08Å; Y137-I140 HydrophobicContact CD1-CD1 4.01Å; I140-I142 VanDerWaalsContact C-N 3.26Å; I140-I142 PolarHBondContact O-N 3.43Å; I140-C143 PolarHBondContact O-N 2.91Å; I140-L144 HydrophobicContact CG2-CD1 4.24Å; I140-L144 WeakPolarHBondContact O-CB 3.34Å; I140-L144 PolarHBondContact O-N 3.03Å |
| 141 | P | 58.7 | Low | 56.3 | Low | 76 Ų | 76 | 92 Ų | 92 | 49% | 0.494 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.4 | -30 | -177.8 | 23 | -33.7 | 0 | 0 | 0 | 113.1 | Y137 C138 A145 | Y137-P141 WeakPolarHBondContact O-CD 3.47Å; C138-P141 VanDerWaalsContact O-CD 3.31Å; C138-P141 WeakPolarHBondContact O-CD 3.31Å; C138-P141 VanDerWaalsContact O-CG 3.29Å; C138-P141 WeakPolarHBondContact O-CG 3.46Å; P141-A145 WeakPolarHBondContact O-CB 3.28Å; P141-A145 PolarHBondContact O-N 3.27Å |
| 142 | I | 61.1 | Low | 56.5 | Low | 50 Ų | 50 | 92.7 Ų | 92.7 | 26% | 0.256 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.6 | -46.8 | 176 | -61.3 | 168.1 | 0 | 0 | 0 | 110 | L118 L122 I139 I140 L144 A145 V146 | L118-I142 HydrophobicContact CD2-CD1 4.12Å; L118-I142 HydrophobicContact CD2-CG1 4.25Å; L122-I142 HydrophobicContact CD2-CD1 4.35Å; I139-I142 PolarHBondContact O-N 3.21Å; I140-I142 VanDerWaalsContact C-N 3.26Å; I140-I142 PolarHBondContact O-N 3.43Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.08Å; I142-A145 PolarHBondContact O-N 2.98Å; I142-V146 VanDerWaalsContact O-CG2 3.3Å; I142-V146 WeakPolarHBondContact O-CG2 3.1Å; I142-V146 PolarHBondContact O-N 3.49Å |
| 143 | C | 57.1 | Low | 56.8 | Low | 60 Ų | 60 | 90.6 Ų | 90.6 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -42.5 | 174.3 | -71 | 0 | 0 | 0 | 0 | 111.7 | I139 I140 V146 I147 | I139-C143 PolarHBondContact O-N 3.45Å; I140-C143 PolarHBondContact O-N 2.91Å; C143-V146 PolarHBondContact O-N 3.02Å; C143-I147 WeakPolarHBondContact O-CB 3.36Å; C143-I147 WeakPolarHBondContact O-CG1 3.11Å; C143-I147 PolarHBondContact O-N 3.34Å |
| 144 | L | 64.9 | Low | 56.8 | Low | 100 Ų | 100 | 89.2 Ų | 89.2 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 179 | -142 | 158.2 | 0 | 0 | 0 | 110.3 | I140 I142 I147 C148 | I140-L144 HydrophobicContact CG2-CD1 4.24Å; I140-L144 WeakPolarHBondContact O-CB 3.34Å; I140-L144 PolarHBondContact O-N 3.03Å; I142-L144 VanDerWaalsContact C-N 3.34Å; I142-L144 PolarHBondContact O-N 3.08Å; L144-I147 PolarHBondContact O-N 2.88Å; L144-C148 VanDerWaalsContact CD2-SG 3.6Å; L144-C148 WeakPolarHBondContact O-CB 3.41Å; L144-C148 PolarHBondContact O-N 3.46Å; L144-C148 PolarHBondContact O-SG 2.84Å |
| 145 | A | 61.4 | Low | 57 | Low | 58 Ų | 58 | 89 Ų | 89 | 48% | 0.479 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P141 I142 N149 | P141-A145 WeakPolarHBondContact O-CB 3.28Å; P141-A145 PolarHBondContact O-N 3.27Å; I142-A145 PolarHBondContact O-N 2.98Å; A145-N149 WeakPolarHBondContact O-CB 3.29Å; A145-N149 PolarHBondContact O-N 3.38Å |
| 146 | V | 56.2 | Low | 57.2 | Low | 87 Ų | 87 | 92.1 Ų | 92.1 | 53% | 0.527 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | 177.5 | 171 | 0 | 0 | 0 | 0 | 111.7 | I142 C143 N149 R150 | I142-V146 VanDerWaalsContact O-CG2 3.3Å; I142-V146 WeakPolarHBondContact O-CG2 3.1Å; I142-V146 PolarHBondContact O-N 3.49Å; C143-V146 PolarHBondContact O-N 3.02Å; V146-N149 PolarHBondContact O-N 3.42Å; V146-R150 WeakPolarHBondContact O-CG 3.39Å; V146-R150 PolarHBondContact O-N 3.07Å |
| 147 | I | 60.2 | Low | 57.3 | Low | 113 Ų | 113 | 92.6 Ų | 92.6 | 58% | 0.579 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.7 | -42.3 | 177.9 | -66.9 | 168.1 | 0 | 0 | 0 | 110 | C143 L144 N149 R150 H151 | C143-I147 WeakPolarHBondContact O-CB 3.36Å; C143-I147 WeakPolarHBondContact O-CG1 3.11Å; C143-I147 PolarHBondContact O-N 3.34Å; L144-I147 PolarHBondContact O-N 2.88Å; I147-N149 VanDerWaalsContact C-N 3.34Å; I147-N149 PolarHBondContact O-N 3.49Å; I147-R150 PolarHBondContact O-N 2.74Å; I147-H151 VanDerWaalsContact O-CB 3.26Å; I147-H151 WeakPolarHBondContact O-CB 3.48Å; I147-H151 PolarHBondContact O-N 3.49Å |
| 148 | C | 59.5 | Low | 57.4 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 173.8 | -79.1 | 0 | 0 | 0 | 0 | 112 | L144 H151 Q152 | L144-C148 VanDerWaalsContact CD2-SG 3.6Å; L144-C148 WeakPolarHBondContact O-CB 3.41Å; L144-C148 PolarHBondContact O-N 3.46Å; L144-C148 PolarHBondContact O-SG 2.84Å; C148-H151 PolarHBondContact O-N 2.78Å; C148-Q152 WeakPolarHBondContact O-CB 3.19Å; C148-Q152 WeakPolarHBondContact O-CG 3.31Å; C148-Q152 PolarHBondContact O-N 3.28Å |
| 149 | N | 59.8 | Low | 57.6 | Low | 76 Ų | 76 | 89.6 Ų | 89.6 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176.9 | -131.5 | -19.8 | 0 | 0 | 0 | 111.6 | A145 V146 I147 H151 Q152 A153 | A145-N149 WeakPolarHBondContact O-CB 3.29Å; A145-N149 PolarHBondContact O-N 3.38Å; V146-N149 PolarHBondContact O-N 3.42Å; I147-N149 VanDerWaalsContact C-N 3.34Å; I147-N149 PolarHBondContact O-N 3.49Å; N149-H151 VanDerWaalsContact C-N 3.34Å; N149-H151 PolarHBondContact O-N 3.5Å; N149-Q152 PolarHBondContact O-N 2.76Å; N149-A153 WeakPolarHBondContact O-CB 3.33Å; N149-A153 PolarHBondContact O-N 2.89Å |
| 150 | R | 52.8 | Low | 57.6 | Low | 195 Ų | 195 | 90 Ų | 90 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 172.2 | -78 | -84.7 | -179.4 | 100.4 | -2.9 | 111.8 | V146 I147 A153 F154 | V146-R150 WeakPolarHBondContact O-CG 3.39Å; V146-R150 PolarHBondContact O-N 3.07Å; I147-R150 PolarHBondContact O-N 2.74Å; R150-A153 PolarHBondContact O-N 2.88Å; R150-F154 WeakPolarHBondContact O-CB 3.43Å; R150-F154 PolarHBondContact O-N 3.29Å |
| 151 | H | 55.1 | Low | 57.6 | Low | 115 Ų | 115 | 91 Ų | 91 | 53% | 0.532 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -39.7 | 179.6 | -164.7 | -84.2 | 0 | 0 | 0 | 111.7 | I147 C148 N149 A153 F154 V155 | I147-H151 VanDerWaalsContact O-CB 3.26Å; I147-H151 WeakPolarHBondContact O-CB 3.48Å; I147-H151 PolarHBondContact O-N 3.49Å; C148-H151 PolarHBondContact O-N 2.78Å; N149-H151 VanDerWaalsContact C-N 3.34Å; N149-H151 PolarHBondContact O-N 3.5Å; H151-A153 VanDerWaalsContact C-N 3.33Å; H151-F154 PolarHBondContact O-N 2.93Å; H151-V155 WeakPolarHBondContact O-CB 3.31Å; H151-V155 WeakPolarHBondContact O-CG2 3.29Å; H151-V155 PolarHBondContact O-N 3.11Å |
| 152 | Q | 54.3 | Low | 57.5 | Low | 122 Ų | 122 | 90.8 Ų | 90.8 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -38.5 | 173.1 | -71.4 | -73.6 | -20.4 | 0 | 0 | 111.7 | C148 N149 K156 | C148-Q152 WeakPolarHBondContact O-CB 3.19Å; C148-Q152 WeakPolarHBondContact O-CG 3.31Å; C148-Q152 PolarHBondContact O-N 3.28Å; N149-Q152 PolarHBondContact O-N 2.76Å; Q152-K156 WeakPolarHBondContact O-CB 3.14Å; Q152-K156 PolarHBondContact O-N 2.81Å; Q152-K156 VanDerWaalsContact O-N 3.12Å |
| 153 | A | 55.5 | Low | 57.4 | Low | 60 Ų | 60 | 95.9 Ų | 95.9 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.7 | -41.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | N149 R150 H151 K156 A157 | N149-A153 WeakPolarHBondContact O-CB 3.33Å; N149-A153 PolarHBondContact O-N 2.89Å; R150-A153 PolarHBondContact O-N 2.88Å; H151-A153 VanDerWaalsContact C-N 3.33Å; A153-K156 PolarHBondContact O-N 3.12Å; A153-A157 PolarHBondContact O-N 3.38Å; A153-A157 VanDerWaalsContact O-N 3.1Å |
| 154 | F | 52.9 | Low | 57.5 | Low | 147 Ų | 147 | 98.3 Ų | 98.3 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.2 | -42.3 | 179 | -169.7 | -97 | 0 | 0 | 0 | 112.8 | R150 H151 K156 A157 S158 | R150-F154 WeakPolarHBondContact O-CB 3.43Å; R150-F154 PolarHBondContact O-N 3.29Å; H151-F154 PolarHBondContact O-N 2.93Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 2.75Å; F154-A157 PolarHBondContact O-N 3.5Å; F154-A157 VanDerWaalsContact O-N 3.15Å; F154-S158 WeakPolarHBondContact O-CB 3.23Å; F154-S158 PolarHBondContact O-N 2.73Å |
| 155 | V | 55.7 | Low | 57.1 | Low | 66 Ų | 66 | 100 Ų | 100 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63 | -36.8 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 111 | H151 N159 | H151-V155 WeakPolarHBondContact O-CB 3.31Å; H151-V155 WeakPolarHBondContact O-CG2 3.29Å; H151-V155 PolarHBondContact O-N 3.11Å; V155-N159 WeakPolarHBondContact O-CB 3.35Å; V155-N159 PolarHBondContact O-N 3.27Å |
| 156 | K | 54.3 | Low | 57 | Low | 114 Ų | 114 | 103.2 Ų | 103.2 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 172.1 | -93.3 | 179.1 | 176.2 | 169.4 | 0 | 112.9 | Q152 A153 F154 Q160 | Q152-K156 WeakPolarHBondContact O-CB 3.14Å; Q152-K156 PolarHBondContact O-N 2.81Å; Q152-K156 VanDerWaalsContact O-N 3.12Å; A153-K156 PolarHBondContact O-N 3.12Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 2.75Å; K156-Q160 PolarHBondContact O-N 2.99Å |
| 157 | A | 56 | Low | 57.1 | Low | 49 Ų | 49 | 105.4 Ų | 105.4 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A153 F154 N159 Q160 I161 | A153-A157 PolarHBondContact O-N 3.38Å; A153-A157 VanDerWaalsContact O-N 3.1Å; F154-A157 PolarHBondContact O-N 3.5Å; F154-A157 VanDerWaalsContact O-N 3.15Å; A157-N159 PolarHBondContact O-N 3.45Å; A157-Q160 WeakPolarHBondContact O-CB 3.33Å; A157-Q160 PolarHBondContact O-N 2.73Å; A157-I161 WeakPolarHBondContact O-CG1 3.09Å; A157-I161 PolarHBondContact O-N 3.4Å; A157-I161 VanDerWaalsContact O-N 3.1Å |
| 158 | S | 56.2 | Low | 56.7 | Low | 59 Ų | 59 | 106.8 Ų | 106.8 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.7 | 158.6 | 0 | 0 | 0 | 0 | 112.3 | F154 Q160 I161 S162 | F154-S158 WeakPolarHBondContact O-CB 3.23Å; F154-S158 PolarHBondContact O-N 2.73Å; S158-Q160 VanDerWaalsContact C-N 3.3Å; S158-Q160 PolarHBondContact O-N 2.78Å; S158-I161 PolarHBondContact O-N 3.41Å; S158-I161 VanDerWaalsContact O-N 3.16Å; S158-S162 PolarHBondContact O-N 3.03Å; S158-S162 PolarHBondContact O-OG 3.46Å |
| 159 | N | 58.9 | Low | 56.2 | Low | 97 Ų | 97 | 112.2 Ų | 112.2 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.4 | -31.6 | -179.8 | -162.4 | -6.1 | 0 | 0 | 0 | 112.2 | V155 A157 R163 | V155-N159 WeakPolarHBondContact O-CB 3.35Å; V155-N159 PolarHBondContact O-N 3.27Å; A157-N159 PolarHBondContact O-N 3.45Å; N159-R163 WeakPolarHBondContact O-CB 3.34Å; N159-R163 WeakPolarHBondContact O-CG 3.23Å; N159-R163 PolarHBondContact O-N 3.42Å |
| 160 | Q | 59.7 | Low | 56 | Low | 96 Ų | 96 | 114 Ų | 114 | 45% | 0.449 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 170.8 | -81.7 | -83.6 | -77.2 | 0 | 0 | 112.3 | K156 A157 S158 R163 L164 | K156-Q160 PolarHBondContact O-N 2.99Å; A157-Q160 WeakPolarHBondContact O-CB 3.33Å; A157-Q160 PolarHBondContact O-N 2.73Å; S158-Q160 VanDerWaalsContact C-N 3.3Å; S158-Q160 PolarHBondContact O-N 2.78Å; Q160-R163 PolarHBondContact O-N 2.75Å; Q160-L164 PolarHBondContact O-N 3.48Å |
| 161 | I | 59.7 | Low | 56.2 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 55% | 0.554 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.6 | -42.4 | 177.6 | -67.8 | 161 | 0 | 0 | 0 | 111.3 | A157 S158 R163 L164 Q165 | A157-I161 WeakPolarHBondContact O-CG1 3.09Å; A157-I161 PolarHBondContact O-N 3.4Å; A157-I161 VanDerWaalsContact O-N 3.1Å; S158-I161 PolarHBondContact O-N 3.41Å; S158-I161 VanDerWaalsContact O-N 3.16Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 3.12Å; I161-L164 PolarHBondContact O-N 3.19Å; I161-Q165 PolarHBondContact O-N 3.34Å |
| 162 | S | 56.6 | Low | 56.3 | Low | 72 Ų | 72 | 109.4 Ų | 109.4 | 50% | 0.503 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -34.2 | 174.5 | -67.8 | 0 | 0 | 0 | 0 | 112.9 | S158 L166 | S158-S162 PolarHBondContact O-N 3.03Å; S158-S162 PolarHBondContact O-OG 3.46Å; S162-L166 PolarHBondContact O-N 3Å |
| 163 | R | 58.1 | Low | 56.4 | Low | 156 Ų | 156 | 108.7 Ų | 108.7 | 59% | 0.589 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.5 | -38.5 | 174.1 | -79.2 | -84.1 | 172.3 | -161.2 | -3.1 | 112.2 | N159 Q160 I161 L166 I167 | N159-R163 WeakPolarHBondContact O-CB 3.34Å; N159-R163 WeakPolarHBondContact O-CG 3.23Å; N159-R163 PolarHBondContact O-N 3.42Å; Q160-R163 PolarHBondContact O-N 2.75Å; I161-R163 VanDerWaalsContact C-N 3.31Å; I161-R163 PolarHBondContact O-N 3.12Å; R163-L166 PolarHBondContact O-N 3.21Å; R163-I167 WeakPolarHBondContact O-CD1 3.33Å; R163-I167 WeakPolarHBondContact O-CG1 3.28Å |
| 164 | L | 60.1 | Low | 56.4 | Low | 111 Ų | 111 | 111.8 Ų | 111.8 | 58% | 0.581 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -67.1 | -43.2 | 176.1 | -81 | 159.6 | 0 | 0 | 0 | 112 | Q160 I161 L166 I167 | Q160-L164 PolarHBondContact O-N 3.48Å; I161-L164 PolarHBondContact O-N 3.19Å; L164-L166 PolarHBondContact O-N 3.39Å; L164-I167 PolarHBondContact O-N 3Å |
| 165 | Q | 55.8 | Low | 56.7 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.631 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.3 | -28.3 | 176.7 | -76.5 | -85.6 | -80.1 | 0 | 0 | 113.7 | I161 I167 | I161-Q165 PolarHBondContact O-N 3.34Å; Q165-I167 VanDerWaalsContact C-N 3.32Å |
| 166 | L | 59.3 | Low | 56.7 | Low | 126 Ų | 126 | 112.5 Ų | 112.5 | 66% | 0.66 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -10.2 | 178.9 | -161.7 | 128.1 | 0 | 0 | 0 | 113.5 | S162 R163 L164 | S162-L166 PolarHBondContact O-N 3Å; R163-L166 PolarHBondContact O-N 3.21Å; L164-L166 PolarHBondContact O-N 3.39Å |
| 167 | I | 59.3 | Low | 56.9 | Low | 133 Ų | 133 | 112.4 Ų | 112.4 | 68% | 0.682 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -18.7 | 175.7 | -67.3 | 162.9 | 0 | 0 | 0 | 110.9 | R163 L164 Q165 | R163-I167 WeakPolarHBondContact O-CD1 3.33Å; R163-I167 WeakPolarHBondContact O-CG1 3.28Å; L164-I167 PolarHBondContact O-N 3Å; Q165-I167 VanDerWaalsContact C-N 3.32Å |
| 168 | D | 51.7 | Low | 57 | Low | 142 Ų | 142 | 117.7 Ų | 117.7 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | trans | -90.4 | 5.9 | 178.6 | -110 | -53.3 | 0 | 0 | 0 | 113.8 | ||||
| 169 | T | 48.4 | Very low | 57.1 | Low | 177 Ų | 177 | 123 Ų | 123 | 100% | 1.086 | 64% | 0.637 | S | S | * | * | trans | -117.9 | 0 | 173.1 | -56.5 | 0 | 0 | 0 | 0 | 110 |
Retrieved 169 of 169 residues in 255.2 ms
(Link to these results)