| 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 | 30.1 | Very low | 27.8 | Very low | 244 Ų | 244 | 166.2 Ų | 166.2 | 100% | 1.202 | 87% | 0.868 | S | S | * | * | 0 | 115.2 | 0 | -76.8 | 164.8 | 98 | 0 | 0 | 107.3 | |||||
| 2 | N | 29.9 | Very low | 27.8 | Very low | 167 Ų | 167 | 161.3 Ų | 161.3 | 89% | 0.893 | 86% | 0.859 | S | S | * | * | trans | 33.1 | 102.6 | 173.1 | -68.2 | -6.9 | 0 | 0 | 0 | 118.9 | ||||
| 3 | D | 27.7 | Very low | 27.7 | Very low | 154 Ų | 154 | 164.8 Ų | 164.8 | 82% | 0.824 | 86% | 0.862 | S | S | * | * | trans | -70.6 | 132.7 | 156.4 | -159.5 | 2.2 | 0 | 0 | 0 | 110.1 | ||||
| 4 | K | 33.4 | Very low | 27.6 | Very low | 198 Ų | 198 | 161.3 Ų | 161.3 | 86% | 0.861 | 86% | 0.858 | S | S | * | * | trans | 161.4 | 95.7 | 147.9 | -91.4 | 174.7 | -176.7 | -177.8 | 0 | 110.7 | ||||
| 5 | R | 28.5 | Very low | 27.7 | Very low | 244 Ų | 244 | 157.5 Ų | 157.5 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -59.5 | 131.8 | 145.1 | -74.5 | 174.5 | 171.3 | 174.8 | -3 | 108.5 | ||||
| 6 | S | 27.5 | Very low | 27.8 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 87% | 0.874 | 85% | 0.847 | S | S | * | * | trans | 161.1 | 133.8 | 138.6 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 7 | G | 25.6 | Very low | 27.8 | Very low | 68 Ų | 68 | 161.9 Ų | 161.9 | 70% | 0.701 | 85% | 0.847 | S | S | * | * | trans | 108.9 | 121.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 8 | H | 27.5 | Very low | 27.9 | Very low | 182 Ų | 182 | 159.4 Ų | 159.4 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | cis | -164.8 | 104 | 14.4 | -157.9 | 63.9 | 0 | 0 | 0 | 105 | T10 | H8-T10 PolarHBondContact O-N 3.12Š| ||
| 9 | L | 24.8 | Very low | 28.4 | Very low | 169 Ų | 169 | 157.4 Ų | 157.4 | 89% | 0.885 | 83% | 0.83 | S | S | * | * | trans | -86.7 | 108.7 | 175.8 | -121 | 128.8 | 0 | 0 | 0 | 107.3 | I11 | L9-I11 PolarHBondContact O-N 2.95Š| ||
| 10 | T | 24.9 | Very low | 28.7 | Very low | 127 Ų | 127 | 152.5 Ų | 152.5 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | trans | -65.4 | 96.1 | -179.3 | -26.1 | 0 | 0 | 0 | 0 | 109.3 | H8 S12 | H8-T10 PolarHBondContact O-N 3.12Å; T10-S12 PolarHBondContact O-N 3.13Å | ||
| 11 | I | 26.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 151 Ų | 151 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -76.7 | 102.2 | 171.7 | -61.6 | 175 | 0 | 0 | 0 | 107.4 | L9 K13 | L9-I11 PolarHBondContact O-N 2.95Å; I11-K13 PolarHBondContact O-N 3.07Å; I11-K13 VanDerWaalsContact O-N 3.09Å | ||
| 12 | S | 27.8 | Very low | 28.9 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -61.3 | 103.1 | 168.5 | 49.4 | 0 | 0 | 0 | 0 | 109.9 | T10 S14 | T10-S12 PolarHBondContact O-N 3.13Å; S12-S14 PolarHBondContact O-N 3.5Å | ||
| 13 | K | 26.9 | Very low | 28.8 | Very low | 207 Ų | 207 | 140 Ų | 140 | 90% | 0.9 | 76% | 0.756 | S | S | * | * | trans | -68.6 | 102.9 | 167.1 | -79.9 | -177.3 | 173 | -177.2 | 0 | 109.9 | I11 | I11-K13 PolarHBondContact O-N 3.07Å; I11-K13 VanDerWaalsContact O-N 3.09Å | ||
| 14 | S | 26.1 | Very low | 29 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -161.7 | 62.8 | 151.2 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | S12 | S12-S14 PolarHBondContact O-N 3.5Š| ||
| 15 | S | 28 | Very low | 28.8 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | trans | -122.8 | 19.2 | 173 | 70 | 0 | 0 | 0 | 0 | 114 | ||||
| 16 | E | 30.5 | Very low | 28.9 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.813 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -106.7 | 1.8 | -176.3 | -80.7 | -177.2 | 162.6 | 0 | 0 | 116 | ||
| 17 | Y | 27.1 | Very low | 28.9 | Very low | 215 Ų | 215 | 124.7 Ų | 124.7 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -99.7 | -1.6 | -179.4 | -85.2 | -78.7 | 0 | 0 | 0 | 116.8 | ||
| 18 | T | 30.6 | Very low | 29.2 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -96.8 | -10.5 | -179.7 | 32.4 | 0 | 0 | 0 | 0 | 115.3 | ||
| 19 | N | 36.5 | Very low | 29.3 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 64% | 0.642 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -97.6 | -19.6 | -177 | -139.3 | 1.7 | 0 | 0 | 0 | 114.5 | C23 | N19-C23 PolarHBondContact O-N 3.46Å |
| 20 | A | 33.7 | Very low | 29.6 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 50% | 0.496 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.8 | -39 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T24 | A20-T24 PolarHBondContact O-N 3.11Å; A20-T24 PolarHBondContact O-OG1 3.41Å |
| 21 | N | 33.4 | Very low | 30 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71.8 | -38.3 | -177.9 | -81.4 | -3.6 | 0 | 0 | 0 | 113 | T24 Y25 | N21-T24 WeakPolarHBondContact CA-OG1 3.47Å; N21-T24 PolarHBondContact O-N 3.01Å; N21-T24 PolarHBondContact O-OG1 3.35Å; N21-Y25 WeakPolarHBondContact O-CB 3.44Å; N21-Y25 PolarHBondContact O-N 2.86Å |
| 22 | N | 31.2 | Very low | 30.2 | Very low | 108 Ų | 108 | 117.2 Ų | 117.2 | 58% | 0.578 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -70.3 | -38.2 | 175.9 | -88.3 | -5 | 0 | 0 | 0 | 111.9 | Y25 I26 | N22-Y25 PolarHBondContact O-N 3.49Å; N22-I26 WeakPolarHBondContact O-CB 3.19Å; N22-I26 VanDerWaalsContact O-CG1 3.23Å; N22-I26 WeakPolarHBondContact O-CG1 3.4Å; N22-I26 PolarHBondContact O-N 3.21Å |
| 23 | C | 27.9 | Very low | 30.4 | Very low | 72 Ų | 72 | 116.7 Ų | 116.7 | 49% | 0.486 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67 | -39.5 | 173.4 | -82.4 | 0 | 0 | 0 | 0 | 112.3 | N19 C27 | N19-C23 PolarHBondContact O-N 3.46Å; C23-C27 WeakPolarHBondContact O-CB 3.38Å; C23-C27 PolarHBondContact O-N 3.18Å; C23-C27 PolarHBondContact O-SG 3.09Å |
| 24 | T | 31.3 | Very low | 30.6 | Very low | 72 Ų | 72 | 109.9 Ų | 109.9 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.3 | -39.1 | 174.7 | 27.5 | 0 | 0 | 0 | 0 | 112.2 | A20 N21 C27 I28 | A20-T24 PolarHBondContact O-N 3.11Å; A20-T24 PolarHBondContact O-OG1 3.41Å; N21-T24 WeakPolarHBondContact CA-OG1 3.47Å; N21-T24 PolarHBondContact O-N 3.01Å; N21-T24 PolarHBondContact O-OG1 3.35Å; T24-C27 PolarHBondContact O-N 3.45Å; T24-I28 VanDerWaalsContact O-CB 3.3Å; T24-I28 WeakPolarHBondContact O-CB 3.3Å; T24-I28 WeakPolarHBondContact O-CD1 3.4Å; T24-I28 WeakPolarHBondContact O-CG1 3.42Å; T24-I28 PolarHBondContact O-N 2.66Å |
| 25 | Y | 28.4 | Very low | 31.1 | Very low | 152 Ų | 152 | 107.7 Ų | 107.7 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.2 | -48.4 | 176.1 | -140.1 | -103.1 | 0 | 0 | 0 | 110.7 | N21 N22 C27 I28 W29 | N21-Y25 WeakPolarHBondContact O-CB 3.44Å; N21-Y25 PolarHBondContact O-N 2.86Å; N22-Y25 PolarHBondContact O-N 3.49Å; Y25-C27 VanDerWaalsContact C-N 3.34Å; Y25-C27 PolarHBondContact O-N 3.41Å; Y25-I28 PolarHBondContact O-N 3Å; Y25-W29 AromaticContact CD1-CD1 3.41Å; Y25-W29 VanDerWaalsContact CD1-CD1 3.41Å; Y25-W29 AromaticContact CD1-NE1 3.38Å; Y25-W29 AromaticContact CE1-CD1 3.57Å; Y25-W29 AromaticContact CE1-NE1 2.99Å; Y25-W29 AromaticContact CZ-NE1 3.55Å; Y25-W29 PolarHBondContact O-N 3.17Å |
| 26 | I | 30.6 | Very low | 31.2 | Very low | 109 Ų | 109 | 105.5 Ų | 105.5 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.9 | -42.1 | 176.7 | -66.8 | 166.9 | 0 | 0 | 0 | 110.7 | N22 W29 S30 | N22-I26 WeakPolarHBondContact O-CB 3.19Å; N22-I26 VanDerWaalsContact O-CG1 3.23Å; N22-I26 WeakPolarHBondContact O-CG1 3.4Å; N22-I26 PolarHBondContact O-N 3.21Å; I26-W29 PolarHBondContact O-N 3.24Å; I26-S30 WeakPolarHBondContact O-CB 3.33Å; I26-S30 PolarHBondContact O-N 3.38Å; I26-S30 PolarHBondContact O-OG 3.15Å |
| 27 | C | 28 | Very low | 31.2 | Very low | 67 Ų | 67 | 101.8 Ų | 101.8 | 45% | 0.453 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.7 | -74.8 | 0 | 0 | 0 | 0 | 112.1 | C23 T24 Y25 W29 S30 F31 | C23-C27 WeakPolarHBondContact O-CB 3.38Å; C23-C27 PolarHBondContact O-N 3.18Å; C23-C27 PolarHBondContact O-SG 3.09Å; T24-C27 PolarHBondContact O-N 3.45Å; Y25-C27 VanDerWaalsContact C-N 3.34Å; Y25-C27 PolarHBondContact O-N 3.41Å; C27-W29 VanDerWaalsContact C-N 3.35Å; C27-W29 PolarHBondContact O-N 3.05Å; C27-S30 PolarHBondContact O-N 3.01Å; C27-F31 VanDerWaalsContact O-CD2 3.26Å; C27-F31 WeakPolarHBondContact O-CD2 3.23Å; C27-F31 PolarHBondContact O-N 3.21Å |
| 28 | I | 31.6 | Very low | 31.5 | Very low | 90 Ų | 90 | 95.5 Ų | 95.5 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 179.1 | -72 | 165.1 | 0 | 0 | 0 | 110.4 | T24 Y25 F31 L32 | T24-I28 VanDerWaalsContact O-CB 3.3Å; T24-I28 WeakPolarHBondContact O-CB 3.3Å; T24-I28 WeakPolarHBondContact O-CD1 3.4Å; T24-I28 WeakPolarHBondContact O-CG1 3.42Å; T24-I28 PolarHBondContact O-N 2.66Å; Y25-I28 PolarHBondContact O-N 3Å; I28-F31 PolarHBondContact O-N 3.48Å; I28-L32 HydrophobicContact CG2-CD1 3.45Å; I28-L32 VanDerWaalsContact CG2-CD1 3.45Å; I28-L32 HydrophobicContact CG2-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.22Å; I28-L32 WeakPolarHBondContact O-CB 3.44Å; I28-L32 WeakPolarHBondContact O-CG 3.47Å; I28-L32 PolarHBondContact O-N 2.98Å |
| 29 | W | 29.2 | Very low | 31.6 | Very low | 137 Ų | 137 | 95.9 Ų | 95.9 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.4 | -35.1 | 175.6 | -77.6 | 92.8 | 0 | 0 | 0 | 112.7 | Y25 I26 C27 F31 L32 L33 | Y25-W29 AromaticContact CD1-CD1 3.41Å; Y25-W29 VanDerWaalsContact CD1-CD1 3.41Å; Y25-W29 AromaticContact CD1-NE1 3.38Å; Y25-W29 AromaticContact CE1-CD1 3.57Å; Y25-W29 AromaticContact CE1-NE1 2.99Å; Y25-W29 AromaticContact CZ-NE1 3.55Å; Y25-W29 PolarHBondContact O-N 3.17Å; I26-W29 PolarHBondContact O-N 3.24Å; C27-W29 VanDerWaalsContact C-N 3.35Å; C27-W29 PolarHBondContact O-N 3.05Å; W29-F31 VanDerWaalsContact C-N 3.29Å; W29-F31 PolarHBondContact O-N 3.47Å; W29-L32 PolarHBondContact O-N 3.29Å; W29-L33 HydrophobicContact CE3-CD1 3.63Å; W29-L33 HydrophobicContact CZ3-CD1 4.12Å; W29-L33 WeakPolarHBondContact O-CB 3.44Å; W29-L33 PolarHBondContact O-N 3.41Å |
| 30 | S | 31.7 | Very low | 31.4 | Very low | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.3 | -26.3 | 176 | -57.3 | 0 | 0 | 0 | 0 | 113 | I26 C27 P34 | I26-S30 WeakPolarHBondContact O-CB 3.33Å; I26-S30 PolarHBondContact O-N 3.38Å; I26-S30 PolarHBondContact O-OG 3.15Å; C27-S30 PolarHBondContact O-N 3.01Å; S30-P34 WeakPolarHBondContact O-CD 3.37Å; S30-P34 WeakPolarHBondContact O-CG 3.44Å |
| 31 | F | 32.4 | Very low | 31.3 | Very low | 158 Ų | 158 | 93.3 Ų | 93.3 | 69% | 0.693 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -89.9 | -36 | 173.1 | -82.5 | -76.7 | 0 | 0 | 0 | 112.7 | C27 I28 W29 T35 | C27-F31 VanDerWaalsContact O-CD2 3.26Å; C27-F31 WeakPolarHBondContact O-CD2 3.23Å; C27-F31 PolarHBondContact O-N 3.21Å; I28-F31 PolarHBondContact O-N 3.48Å; W29-F31 VanDerWaalsContact C-N 3.29Å; W29-F31 PolarHBondContact O-N 3.47Å; F31-T35 PolarHBondContact O-N 2.94Å; F31-T35 PolarHBondContact O-OG1 2.93Å |
| 32 | L | 31.5 | Very low | 31.3 | Very low | 86 Ų | 86 | 88.6 Ų | 88.6 | 45% | 0.45 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.4 | -37.7 | 179.3 | -78.6 | 169.2 | 0 | 0 | 0 | 112.8 | I28 W29 T35 C36 | I28-L32 HydrophobicContact CG2-CD1 3.45Å; I28-L32 VanDerWaalsContact CG2-CD1 3.45Å; I28-L32 HydrophobicContact CG2-CG 4.3Å; I28-L32 VanDerWaalsContact O-CB 3.22Å; I28-L32 WeakPolarHBondContact O-CB 3.44Å; I28-L32 WeakPolarHBondContact O-CG 3.47Å; I28-L32 PolarHBondContact O-N 2.98Å; W29-L32 PolarHBondContact O-N 3.29Å; L32-T35 WeakPolarHBondContact CA-OG1 3.37Å; L32-T35 PolarHBondContact O-N 3.42Å; L32-T35 PolarHBondContact O-OG1 2.92Å; L32-T35 VanDerWaalsContact O-OG1 3.12Å; L32-C36 WeakPolarHBondContact O-CB 3.21Å; L32-C36 PolarHBondContact O-N 3.27Å; L32-C36 PolarHBondContact O-SG 3.25Å |
| 33 | L | 31.3 | Very low | 31.7 | Very low | 96 Ų | 96 | 90.4 Ų | 90.4 | 50% | 0.503 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 179.9 | -117.8 | 88.7 | 0 | 0 | 0 | 112.7 | W29 C36 M37 | W29-L33 HydrophobicContact CE3-CD1 3.63Å; W29-L33 HydrophobicContact CZ3-CD1 4.12Å; W29-L33 WeakPolarHBondContact O-CB 3.44Å; W29-L33 PolarHBondContact O-N 3.41Å; L33-C36 PolarHBondContact O-N 3.48Å; L33-M37 VanDerWaalsContact O-CB 3.25Å; L33-M37 WeakPolarHBondContact O-CB 3.19Å; L33-M37 VanDerWaalsContact O-CG 3.27Å; L33-M37 WeakPolarHBondContact O-CG 3.11Å; L33-M37 PolarHBondContact O-N 3.31Å |
| 34 | P | 31.8 | Very low | 32.1 | Very low | 65 Ų | 65 | 91.3 Ų | 91.3 | 42% | 0.422 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 178.1 | -22.8 | 34.5 | 0 | 0 | 0 | 112.5 | S30 M37 L38 | S30-P34 WeakPolarHBondContact O-CD 3.37Å; S30-P34 WeakPolarHBondContact O-CG 3.44Å; P34-M37 PolarHBondContact O-N 2.86Å; P34-L38 VanDerWaalsContact O-CB 3.29Å; P34-L38 WeakPolarHBondContact O-CB 3.13Å; P34-L38 WeakPolarHBondContact O-CD1 3.27Å; P34-L38 WeakPolarHBondContact O-CG 3.37Å; P34-L38 PolarHBondContact O-N 3.4Å |
| 35 | T | 35.6 | Very low | 32.3 | Very low | 69 Ų | 69 | 89.7 Ų | 89.7 | 42% | 0.423 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -70.3 | -41.3 | 176.2 | 44.6 | 0 | 0 | 0 | 0 | 111.9 | F31 L32 L38 L39 | F31-T35 PolarHBondContact O-N 2.94Å; F31-T35 PolarHBondContact O-OG1 2.93Å; L32-T35 WeakPolarHBondContact CA-OG1 3.37Å; L32-T35 PolarHBondContact O-N 3.42Å; L32-T35 PolarHBondContact O-OG1 2.92Å; L32-T35 VanDerWaalsContact O-OG1 3.12Å; T35-L38 PolarHBondContact O-N 2.61Å; T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 VanDerWaalsContact O-CG 3.26Å; T35-L39 WeakPolarHBondContact O-CG 3.34Å; T35-L39 PolarHBondContact O-N 3.28Å |
| 36 | C | 31.2 | Very low | 33 | Very low | 58 Ų | 58 | 88.1 Ų | 88.1 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 171.8 | -73 | 0 | 0 | 0 | 0 | 112 | L32 L33 L39 I40 | L32-C36 WeakPolarHBondContact O-CB 3.21Å; L32-C36 PolarHBondContact O-N 3.27Å; L32-C36 PolarHBondContact O-SG 3.25Å; L33-C36 PolarHBondContact O-N 3.48Å; C36-L39 PolarHBondContact O-N 3.14Å; C36-I40 WeakPolarHBondContact O-CB 3.25Å; C36-I40 WeakPolarHBondContact O-CD1 3.24Å; C36-I40 WeakPolarHBondContact O-CG1 3.37Å; C36-I40 PolarHBondContact O-N 3.42Å |
| 37 | M | 30.1 | Very low | 33.7 | Very low | 97 Ų | 97 | 90.1 Ų | 90.1 | 48% | 0.478 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 173.8 | -80.4 | -83.1 | -132.8 | 0 | 0 | 111.6 | L33 P34 L39 I40 I41 | L33-M37 VanDerWaalsContact O-CB 3.25Å; L33-M37 WeakPolarHBondContact O-CB 3.19Å; L33-M37 VanDerWaalsContact O-CG 3.27Å; L33-M37 WeakPolarHBondContact O-CG 3.11Å; L33-M37 PolarHBondContact O-N 3.31Å; P34-M37 PolarHBondContact O-N 2.86Å; M37-L39 VanDerWaalsContact C-N 3.29Å; M37-L39 PolarHBondContact O-N 3.14Å; M37-I40 PolarHBondContact O-N 2.86Å; M37-I41 VanDerWaalsContact O-CB 3.27Å; M37-I41 WeakPolarHBondContact O-CB 3.41Å; M37-I41 WeakPolarHBondContact O-CG1 2.93Å; M37-I41 PolarHBondContact O-N 2.88Å |
| 38 | L | 32.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 92.9 Ų | 92.9 | 44% | 0.435 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 172.4 | -84.7 | 160.5 | 0 | 0 | 0 | 111.6 | P34 T35 G42 T202 L206 | P34-L38 VanDerWaalsContact O-CB 3.29Å; P34-L38 WeakPolarHBondContact O-CB 3.13Å; P34-L38 WeakPolarHBondContact O-CD1 3.27Å; P34-L38 WeakPolarHBondContact O-CG 3.37Å; P34-L38 PolarHBondContact O-N 3.4Å; T35-L38 PolarHBondContact O-N 2.61Å; L38-G42 VanDerWaalsContact O-CA 3.3Å; L38-G42 WeakPolarHBondContact O-CA 3.38Å; L38-G42 PolarHBondContact O-N 2.91Å; L38-T202 HydrophobicContact CD2-CG2 3.97Å; L38-L206 HydrophobicContact CD2-CD1 3.54Å; L38-L206 HydrophobicContact CG-CD1 3.75Å |
| 39 | L | 33.5 | Very low | 34.4 | Very low | 125 Ų | 125 | 89 Ų | 89 | 65% | 0.654 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.3 | -42.8 | 174.6 | -74.4 | 168.4 | 0 | 0 | 0 | 111.6 | T35 C36 M37 K43 | T35-L39 WeakPolarHBondContact O-CB 3.43Å; T35-L39 VanDerWaalsContact O-CG 3.26Å; T35-L39 WeakPolarHBondContact O-CG 3.34Å; T35-L39 PolarHBondContact O-N 3.28Å; C36-L39 PolarHBondContact O-N 3.14Å; M37-L39 VanDerWaalsContact C-N 3.29Å; M37-L39 PolarHBondContact O-N 3.14Å; L39-K43 WeakPolarHBondContact O-CB 3.27Å; L39-K43 PolarHBondContact O-N 3.36Å |
| 40 | I | 31.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 84.4 Ų | 84.4 | 53% | 0.528 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.1 | -47.2 | -180 | -69.2 | 163 | 0 | 0 | 0 | 110.7 | C36 M37 K43 E44 | C36-I40 WeakPolarHBondContact O-CB 3.25Å; C36-I40 WeakPolarHBondContact O-CD1 3.24Å; C36-I40 WeakPolarHBondContact O-CG1 3.37Å; C36-I40 PolarHBondContact O-N 3.42Å; M37-I40 PolarHBondContact O-N 2.86Å; I40-K43 WeakPolarHBondContact O-CB 3.36Å; I40-K43 PolarHBondContact O-N 3.32Å; I40-E44 PolarHBondContact O-N 3.47Å |
| 41 | I | 32.3 | Very low | 35.9 | Very low | 23 Ų | 23 | 85.3 Ų | 85.3 | 12% | 0.118 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 178.2 | -62.4 | 166.5 | 0 | 0 | 0 | 109.5 | M37 K43 E44 F45 T202 Y205 L206 | M37-I41 VanDerWaalsContact O-CB 3.27Å; M37-I41 WeakPolarHBondContact O-CB 3.41Å; M37-I41 WeakPolarHBondContact O-CG1 2.93Å; M37-I41 PolarHBondContact O-N 2.88Å; I41-K43 PolarHBondContact O-N 2.99Å; I41-E44 PolarHBondContact O-N 2.92Å; I41-F45 HydrophobicContact CG2-CD2 3.46Å; I41-F45 VanDerWaalsContact CG2-CD2 3.46Å; I41-F45 HydrophobicContact CG2-CE2 3.62Å; I41-F45 WeakPolarHBondContact O-CB 3.37Å; I41-F45 WeakPolarHBondContact O-CD2 3.49Å; I41-F45 PolarHBondContact O-N 3.48Å; I41-T202 HydrophobicContact CB-CG2 4.05Å; I41-T202 HydrophobicContact CG2-CG2 3.51Å; I41-Y205 HydrophobicContact CD1-CD1 4.13Å; I41-Y205 HydrophobicContact CD1-CE1 4.13Å; I41-L206 HydrophobicContact CD1-CD2 3.78Å; I41-L206 HydrophobicContact CD1-CG 4.4Å |
| 42 | G | 33.8 | Very low | 36.2 | Very low | 23 Ų | 23 | 78.9 Ų | 78.9 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.7 | -35.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L38 R46 | L38-G42 VanDerWaalsContact O-CA 3.3Å; L38-G42 WeakPolarHBondContact O-CA 3.38Å; L38-G42 PolarHBondContact O-N 2.91Å; G42-R46 VanDerWaalsContact O-CB 3.22Å; G42-R46 WeakPolarHBondContact O-CB 3.43Å; G42-R46 PolarHBondContact O-N 3.47Å |
| 43 | K | 39.4 | Very low | 36.5 | Very low | 145 Ų | 145 | 75.4 Ų | 75.4 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -72.7 | -42.4 | 176.2 | -163.6 | 174.6 | -169.6 | 177.6 | 0 | 112.5 | L39 I40 I41 R47 | L39-K43 WeakPolarHBondContact O-CB 3.27Å; L39-K43 PolarHBondContact O-N 3.36Å; I40-K43 WeakPolarHBondContact O-CB 3.36Å; I40-K43 PolarHBondContact O-N 3.32Å; I41-K43 PolarHBondContact O-N 2.99Å; K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 PolarHBondContact O-N 2.89Å |
| 44 | E | 35.5 | Very low | 37.2 | Very low | 92 Ų | 92 | 73.1 Ų | 73.1 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 175 | -71.1 | -61.2 | 157.5 | 0 | 0 | 112.3 | I40 I41 R47 F48 | I40-E44 PolarHBondContact O-N 3.47Å; I41-E44 PolarHBondContact O-N 2.92Å; E44-R47 VanDerWaalsContact O-CB 3.25Å; E44-R47 WeakPolarHBondContact O-CB 3.34Å; E44-R47 PolarHBondContact O-N 3.33Å; E44-R47 IonicContact OE1-NH1 3.56Å; E44-R47 WeakPolarHBondContact OE2-CD 3.45Å; E44-R47 IonicContact OE2-NH1 3.34Å; E44-R47 PolarHBondContact OE2-NH1 3.41Å; E44-F48 PolarHBondContact O-N 3.15Å |
| 45 | F | 36.7 | Very low | 38 | Very low | 38 Ų | 38 | 73.3 Ų | 73.3 | 17% | 0.167 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.1 | -37.1 | 174 | -88 | -89.6 | 0 | 0 | 0 | 112.5 | I41 R47 F48 I49 C198 T201 F231 | I41-F45 HydrophobicContact CG2-CD2 3.46Å; I41-F45 VanDerWaalsContact CG2-CD2 3.46Å; I41-F45 HydrophobicContact CG2-CE2 3.62Å; I41-F45 WeakPolarHBondContact O-CB 3.37Å; I41-F45 WeakPolarHBondContact O-CD2 3.49Å; I41-F45 PolarHBondContact O-N 3.48Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3.28Å; F45-F48 WeakPolarHBondContact O-CB 3.43Å; F45-F48 PolarHBondContact O-N 2.85Å; F45-F48 VanDerWaalsContact O-N 3.1Å; F45-I49 PolarHBondContact O-N 2.94Å; F45-I49 VanDerWaalsContact O-N 3.1Å; F45-C198 WeakPolarHBondContact CB-SG 3.39Å; F45-T201 HydrophobicContact CE1-CG2 3.98Å; F45-T201 HydrophobicContact CZ-CG2 4.04Å; F45-F231 HydrophobicContact CD1-CD1 4.17Å; F45-F231 AromaticContact CD1-CE1 3.43Å; F45-F231 HydrophobicContact CD1-CE1 3.43Å; F45-F231 VanDerWaalsContact CD1-CE1 3.43Å; F45-F231 AromaticContact CD1-CZ 3.77Å; F45-F231 HydrophobicContact CD1-CZ 3.77Å; F45-F231 AromaticContact CE1-CD1 3.97Å; F45-F231 HydrophobicContact CE1-CD1 3.97Å; F45-F231 AromaticContact CE1-CE1 3.6Å; F45-F231 HydrophobicContact CE1-CE1 3.6Å; F45-F231 HydrophobicContact CE1-CZ 4.39Å |
| 46 | R | 41.4 | Very low | 38.2 | Very low | 119 Ų | 119 | 70 Ų | 70 | 45% | 0.449 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 166.1 | -105 | -178.1 | 166.9 | -172 | -4.8 | 110 | G42 F48 I49 L50 | G42-R46 VanDerWaalsContact O-CB 3.22Å; G42-R46 WeakPolarHBondContact O-CB 3.43Å; G42-R46 PolarHBondContact O-N 3.47Å; R46-F48 PolarHBondContact O-N 2.61Å; R46-I49 WeakPolarHBondContact O-CB 3.45Å; R46-I49 PolarHBondContact O-N 3.29Å; R46-I49 VanDerWaalsContact O-N 3.08Å; R46-L50 HydrophobicContact CB-CD1 4.26Å; R46-L50 WeakPolarHBondContact O-CB 3.3Å; R46-L50 WeakPolarHBondContact O-CD1 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.39Å; R46-L50 PolarHBondContact O-N 3.48Å |
| 47 | R | 45.3 | Very low | 38.6 | Very low | 151 Ų | 151 | 68.9 Ų | 68.9 | 57% | 0.57 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -56 | -34 | 176.3 | -165.1 | -176.5 | -178.1 | -176.8 | 0.3 | 112.3 | K43 E44 F45 L50 Q51 | K43-R47 WeakPolarHBondContact O-CB 3.43Å; K43-R47 PolarHBondContact O-N 2.89Å; E44-R47 VanDerWaalsContact O-CB 3.25Å; E44-R47 WeakPolarHBondContact O-CB 3.34Å; E44-R47 PolarHBondContact O-N 3.33Å; E44-R47 IonicContact OE1-NH1 3.56Å; E44-R47 WeakPolarHBondContact OE2-CD 3.45Å; E44-R47 IonicContact OE2-NH1 3.34Å; E44-R47 PolarHBondContact OE2-NH1 3.41Å; F45-R47 VanDerWaalsContact C-N 3.26Å; F45-R47 PolarHBondContact O-N 3.28Å; R47-L50 PolarHBondContact O-N 2.81Å; R47-Q51 VanDerWaalsContact O-CB 3.26Å; R47-Q51 WeakPolarHBondContact O-CB 3.26Å; R47-Q51 PolarHBondContact O-N 3.42Å |
| 48 | F | 40.8 | Very low | 39.4 | Very low | 125 Ų | 125 | 70.4 Ų | 70.4 | 55% | 0.548 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.4 | -43.6 | 173.4 | -102 | -81.7 | 0 | 0 | 0 | 114.1 | E44 F45 R46 L50 Q51 S52 | E44-F48 PolarHBondContact O-N 3.15Å; F45-F48 WeakPolarHBondContact O-CB 3.43Å; F45-F48 PolarHBondContact O-N 2.85Å; F45-F48 VanDerWaalsContact O-N 3.1Å; R46-F48 PolarHBondContact O-N 2.61Å; F48-L50 VanDerWaalsContact C-N 3.29Å; F48-L50 PolarHBondContact O-N 3.46Å; F48-Q51 PolarHBondContact O-N 2.9Å; F48-S52 PolarHBondContact O-N 3.29Å; F48-S52 PolarHBondContact O-OG 3.05Å |
| 49 | I | 34.5 | Very low | 39.9 | Very low | 9 Ų | 9 | 71.3 Ų | 71.3 | 5% | 0.046 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.6 | -49.8 | 170.9 | -66.9 | 169.1 | 0 | 0 | 0 | 108.9 | F45 R46 Q51 S52 E53 E195 C198 F231 L235 L238 | F45-I49 PolarHBondContact O-N 2.94Å; F45-I49 VanDerWaalsContact O-N 3.1Å; R46-I49 WeakPolarHBondContact O-CB 3.45Å; R46-I49 PolarHBondContact O-N 3.29Å; R46-I49 VanDerWaalsContact O-N 3.08Å; I49-Q51 PolarHBondContact O-N 2.81Å; I49-S52 PolarHBondContact O-N 3.31Å; I49-E53 WeakPolarHBondContact O-CG 3.15Å; I49-E53 PolarHBondContact O-N 3.24Å; I49-E53 VanDerWaalsContact O-N 3.1Å; I49-E195 HydrophobicContact CD1-CG 4.29Å; I49-C198 HydrophobicContact CD1-CB 4.16Å; I49-F231 HydrophobicContact CD1-CE2 4.35Å; I49-F231 HydrophobicContact CG1-CE2 4.16Å; I49-F231 HydrophobicContact CG1-CZ 4.26Å; I49-L235 HydrophobicContact CB-CD2 4.11Å; I49-L235 HydrophobicContact CG1-CD2 3.5Å; I49-L235 VanDerWaalsContact CG1-CD2 3.5Å; I49-L238 HydrophobicContact CG2-CD2 3.76Å |
| 50 | L | 43.9 | Very low | 40.1 | Very low | 39 Ų | 39 | 65.7 Ų | 65.7 | 20% | 0.204 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | -178.4 | -64.4 | 165 | 0 | 0 | 0 | 112.4 | R46 R47 F48 Y54 H275 | R46-L50 HydrophobicContact CB-CD1 4.26Å; R46-L50 WeakPolarHBondContact O-CB 3.3Å; R46-L50 WeakPolarHBondContact O-CD1 3.32Å; R46-L50 WeakPolarHBondContact O-CG 3.39Å; R46-L50 PolarHBondContact O-N 3.48Å; R47-L50 PolarHBondContact O-N 2.81Å; F48-L50 VanDerWaalsContact C-N 3.29Å; F48-L50 PolarHBondContact O-N 3.46Å; L50-Y54 WeakPolarHBondContact O-CB 3.33Å; L50-Y54 PolarHBondContact O-N 2.99Å; L50-H275 WeakPolarHBondContact CD1-O 3.22Å; L50-H275 HydrophobicContact CD2-CB 3.66Å; L50-H275 VanDerWaalsContact CD2-CD2 3.45Å; L50-H275 WeakPolarHBondContact CD2-CD2 3.26Å |
| 51 | Q | 47.6 | Very low | 40.3 | Very low | 88 Ų | 88 | 65.8 Ų | 65.8 | 41% | 0.411 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -38.2 | 176.7 | -172.6 | 63.5 | 43.8 | 0 | 0 | 111.7 | R47 F48 I49 Y54 D55 | R47-Q51 VanDerWaalsContact O-CB 3.26Å; R47-Q51 WeakPolarHBondContact O-CB 3.26Å; R47-Q51 PolarHBondContact O-N 3.42Å; F48-Q51 PolarHBondContact O-N 2.9Å; I49-Q51 PolarHBondContact O-N 2.81Å; Q51-Y54 WeakPolarHBondContact O-CB 3.45Å; Q51-Y54 PolarHBondContact O-N 3.06Å; Q51-D55 PolarHBondContact NE2-OD1 3.48Å; Q51-D55 VanDerWaalsContact O-CG 3.28Å; Q51-D55 PolarHBondContact O-N 3.22Å |
| 52 | S | 38.9 | Very low | 40.7 | Very low | 23 Ų | 23 | 66.6 Ų | 66.6 | 16% | 0.161 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.4 | -42 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | F48 I49 D55 A56 | F48-S52 PolarHBondContact O-N 3.29Å; F48-S52 PolarHBondContact O-OG 3.05Å; I49-S52 PolarHBondContact O-N 3.31Å; S52-D55 PolarHBondContact O-N 3.37Å; S52-A56 PolarHBondContact O-N 2.88Å |
| 53 | E | 38.7 | Very low | 40.8 | Very low | 12 Ų | 12 | 72.9 Ų | 72.9 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 172.7 | -64.9 | -175 | 156.4 | 0 | 0 | 111.3 | I49 D55 A56 F57 R191 L238 V242 H275 | I49-E53 WeakPolarHBondContact O-CG 3.15Å; I49-E53 PolarHBondContact O-N 3.24Å; I49-E53 VanDerWaalsContact O-N 3.1Å; E53-D55 PolarHBondContact O-N 2.88Å; E53-A56 WeakPolarHBondContact O-CB 3.17Å; E53-A56 PolarHBondContact O-N 3.38Å; E53-F57 PolarHBondContact O-N 2.87Å; E53-R191 IonicContact OE1-CZ 2.76Å; E53-R191 IonicContact OE1-NE 3.43Å; E53-R191 PolarHBondContact OE1-NE 3.5Å; E53-R191 VanDerWaalsContact OE1-NE 3.08Å; E53-R191 IonicContact OE1-NH2 3.41Å; E53-R191 PolarHBondContact OE1-NH2 3.48Å; E53-R191 IonicContact OE2-CZ 3.89Å; E53-R191 IonicContact OE2-NH2 3.88Å; E53-R191 PolarHBondContact OE2-NH2 3.34Å; E53-L238 HydrophobicContact CG-CD2 4.47Å; E53-V242 HydrophobicContact CB-CG1 4.48Å; E53-V242 HydrophobicContact CG-CG2 3.99Å; E53-H275 IonicContact OE2-CD2 2.75Å; E53-H275 PolarHBondContact OE2-CD2 2.9Å; E53-H275 VanDerWaalsContact OE2-CD2 3.31Å; E53-H275 IonicContact OE2-NE2 3.34Å |
| 54 | Y | 45.8 | Very low | 40.5 | Very low | 49 Ų | 49 | 69.5 Ų | 69.5 | 19% | 0.192 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.1 | 176.9 | -100.9 | 0 | 0 | 0 | 113.2 | L50 Q51 A56 F57 K58 E272 K276 | L50-Y54 WeakPolarHBondContact O-CB 3.33Å; L50-Y54 PolarHBondContact O-N 2.99Å; Q51-Y54 WeakPolarHBondContact O-CB 3.45Å; Q51-Y54 PolarHBondContact O-N 3.06Å; Y54-A56 VanDerWaalsContact C-N 3.29Å; Y54-A56 PolarHBondContact O-N 2.89Å; Y54-F57 CarbonylContact O-C 3.59Å; Y54-F57 WeakPolarHBondContact O-CB 3.16Å; Y54-F57 PolarHBondContact O-N 3.24Å; Y54-F57 VanDerWaalsContact O-N 3.11Å; Y54-K58 HydrophobicContact CE1-CD 4.32Å; Y54-K58 WeakPolarHBondContact O-CB 3.08Å; Y54-K58 PolarHBondContact O-N 3.48Å; Y54-E272 HydrophobicContact CD2-CG 4.4Å; Y54-E272 WeakPolarHBondContact CE2-OE1 3.4Å; Y54-K276 HydrophobicContact CD2-CD 4.46Å; Y54-K276 HydrophobicContact CE2-CD 4.1Å; Y54-K276 PolarHBondContact OH-NZ 3.18Å |
| 55 | D | 49.1 | Very low | 40.7 | Very low | 69 Ų | 69 | 70.8 Ų | 70.8 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.1 | -37.1 | 179.9 | -72.9 | -12.3 | 0 | 0 | 0 | 111.6 | Q51 S52 E53 L59 | Q51-D55 PolarHBondContact NE2-OD1 3.48Å; Q51-D55 VanDerWaalsContact O-CG 3.28Å; Q51-D55 PolarHBondContact O-N 3.22Å; S52-D55 PolarHBondContact O-N 3.37Å; E53-D55 PolarHBondContact O-N 2.88Å; D55-L59 PolarHBondContact O-N 2.8Å |
| 56 | A | 38.4 | Very low | 40.6 | Very low | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S52 E53 Y54 K58 L59 I60 K239 V242 E243 | S52-A56 PolarHBondContact O-N 2.88Å; E53-A56 WeakPolarHBondContact O-CB 3.17Å; E53-A56 PolarHBondContact O-N 3.38Å; Y54-A56 VanDerWaalsContact C-N 3.29Å; Y54-A56 PolarHBondContact O-N 2.89Å; A56-K58 PolarHBondContact O-N 3.26Å; A56-L59 WeakPolarHBondContact O-CB 3.27Å; A56-L59 PolarHBondContact O-N 3.03Å; A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 3.07Å; A56-K239 HydrophobicContact CB-CG 3.8Å; A56-V242 HydrophobicContact CB-CG1 4.43Å; A56-E243 HydrophobicContact CB-CG 3.36Å |
| 57 | F | 40 | Very low | 40.2 | Very low | 33 Ų | 33 | 76.7 Ų | 76.7 | 15% | 0.145 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -39.7 | -180 | -157.5 | -93.2 | 0 | 0 | 0 | 112.8 | E53 Y54 L59 I60 R61 E246 E272 | E53-F57 PolarHBondContact O-N 2.87Å; Y54-F57 CarbonylContact O-C 3.59Å; Y54-F57 WeakPolarHBondContact O-CB 3.16Å; Y54-F57 PolarHBondContact O-N 3.24Å; Y54-F57 VanDerWaalsContact O-N 3.11Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 3.15Å; F57-I60 CarbonylContact O-C 3.58Å; F57-I60 WeakPolarHBondContact O-CA 3.19Å; F57-I60 WeakPolarHBondContact O-CB 3.26Å; F57-I60 PolarHBondContact O-N 3.29Å; F57-R61 PolarHBondContact O-N 2.91Å; F57-E246 HydrophobicContact CD2-CG 4.01Å; F57-E246 HydrophobicContact CE2-CG 4.17Å; F57-E272 HydrophobicContact CD1-CG 4.42Å |
| 58 | K | 47.4 | Very low | 39.7 | Very low | 129 Ų | 129 | 71 Ų | 71 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.7 | -38.3 | 176.8 | -170.1 | -179.2 | 179.5 | -175.3 | 0 | 112.1 | Y54 A56 I60 R61 G62 | Y54-K58 HydrophobicContact CE1-CD 4.32Å; Y54-K58 WeakPolarHBondContact O-CB 3.08Å; Y54-K58 PolarHBondContact O-N 3.48Å; A56-K58 PolarHBondContact O-N 3.26Å; K58-I60 PolarHBondContact O-N 3.3Å; K58-R61 PolarHBondContact O-N 3.42Å; K58-G62 PolarHBondContact O-N 3.33Å |
| 59 | L | 42.2 | Very low | 39.4 | Very low | 102 Ų | 102 | 71.8 Ų | 71.8 | 53% | 0.534 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 173.9 | -167.5 | 81 | 0 | 0 | 0 | 111.4 | D55 A56 F57 | D55-L59 PolarHBondContact O-N 2.8Å; A56-L59 WeakPolarHBondContact O-CB 3.27Å; A56-L59 PolarHBondContact O-N 3.03Å; F57-L59 VanDerWaalsContact C-N 3.3Å; F57-L59 PolarHBondContact O-N 3.15Å |
| 60 | I | 37.7 | Very low | 39.3 | Very low | 8 Ų | 8 | 77.5 Ų | 77.5 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -79.4 | -38.6 | -178.8 | -64.4 | 177.7 | 0 | 0 | 0 | 111.5 | A56 F57 K58 G62 R63 L64 E246 I250 | A56-I60 WeakPolarHBondContact O-CG1 3.29Å; A56-I60 PolarHBondContact O-N 3.07Å; F57-I60 CarbonylContact O-C 3.58Å; F57-I60 WeakPolarHBondContact O-CA 3.19Å; F57-I60 WeakPolarHBondContact O-CB 3.26Å; F57-I60 PolarHBondContact O-N 3.29Å; K58-I60 PolarHBondContact O-N 3.3Å; I60-G62 VanDerWaalsContact C-N 3.28Å; I60-G62 PolarHBondContact O-N 2.94Å; I60-R63 CarbonylContact O-C 3.58Å; I60-R63 WeakPolarHBondContact O-CA 3.41Å; I60-R63 VanDerWaalsContact O-CB 3.31Å; I60-R63 WeakPolarHBondContact O-CB 3.34Å; I60-R63 PolarHBondContact O-N 3.09Å; I60-L64 HydrophobicContact CG2-CD1 4.32Å; I60-L64 PolarHBondContact O-N 2.84Å; I60-E246 HydrophobicContact CD1-CB 3.25Å; I60-E246 HydrophobicContact CD1-CG 4.04Å; I60-I250 HydrophobicContact CG2-CD1 3.35Å |
| 61 | R | 37.6 | Very low | 38.5 | Very low | 105 Ų | 105 | 78.9 Ų | 78.9 | 40% | 0.396 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.5 | -42.9 | 172.9 | -176 | 175.7 | 175.4 | 154.1 | 2.8 | 112.1 | F57 K58 R63 L64 E65 | F57-R61 PolarHBondContact O-N 2.91Å; K58-R61 PolarHBondContact O-N 3.42Å; R61-R63 PolarHBondContact O-N 3.13Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 3.22Å; R61-L64 VanDerWaalsContact O-N 3.09Å; R61-E65 PolarHBondContact O-N 3.22Å |
| 62 | G | 39.4 | Very low | 37.8 | Very low | 40 Ų | 40 | 78.9 Ų | 78.9 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -27.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | K58 I60 | K58-G62 PolarHBondContact O-N 3.33Å; I60-G62 VanDerWaalsContact C-N 3.28Å; I60-G62 PolarHBondContact O-N 2.94Å |
| 63 | R | 35.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 83.5 Ų | 83.5 | 59% | 0.585 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -77.5 | -35.3 | 172.5 | -65 | -177.3 | 176.9 | -166.9 | 0.5 | 112.4 | I60 R61 K66 Y67 | I60-R63 CarbonylContact O-C 3.58Å; I60-R63 WeakPolarHBondContact O-CA 3.41Å; I60-R63 VanDerWaalsContact O-CB 3.31Å; I60-R63 WeakPolarHBondContact O-CB 3.34Å; I60-R63 PolarHBondContact O-N 3.09Å; R61-R63 PolarHBondContact O-N 3.13Å; R63-K66 WeakPolarHBondContact O-CB 3.47Å; R63-K66 PolarHBondContact O-N 3.46Å; R63-Y67 WeakPolarHBondContact O-CD2 3.3Å |
| 64 | L | 33.5 | Very low | 37.1 | Very low | 74 Ų | 74 | 86.6 Ų | 86.6 | 39% | 0.387 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.7 | -89.2 | 150.5 | 0 | 0 | 0 | 111.6 | I60 R61 K66 Y67 V68 I250 | I60-L64 HydrophobicContact CG2-CD1 4.32Å; I60-L64 PolarHBondContact O-N 2.84Å; R61-L64 WeakPolarHBondContact O-CB 3.48Å; R61-L64 PolarHBondContact O-N 3.22Å; R61-L64 VanDerWaalsContact O-N 3.09Å; L64-K66 PolarHBondContact O-N 3.44Å; L64-Y67 WeakPolarHBondContact O-CB 3.42Å; L64-Y67 PolarHBondContact O-N 3Å; L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.02Å; L64-I250 HydrophobicContact CD1-CD1 4.33Å; L64-I250 HydrophobicContact CG-CD1 4.42Å |
| 65 | E | 39.8 | Very low | 36.3 | Very low | 119 Ų | 119 | 85.7 Ų | 85.7 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -54.6 | -38 | 176.3 | -73.8 | 173.7 | 179.5 | 0 | 0 | 112.4 | R61 Y67 V68 | R61-E65 PolarHBondContact O-N 3.22Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 3.28Å; E65-V68 VanDerWaalsContact O-CB 3.28Å; E65-V68 WeakPolarHBondContact O-CB 3.38Å; E65-V68 PolarHBondContact O-N 3.24Å; E65-V68 VanDerWaalsContact O-N 3.11Å |
| 66 | K | 35.9 | Very low | 35.6 | Very low | 158 Ų | 158 | 87 Ų | 87 | 69% | 0.687 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -67.4 | -26.1 | 177.5 | -156.6 | 174.3 | -174.4 | 176.3 | 0 | 113.6 | R63 L64 | R63-K66 WeakPolarHBondContact O-CB 3.47Å; R63-K66 PolarHBondContact O-N 3.46Å; L64-K66 PolarHBondContact O-N 3.44Å |
| 67 | Y | 31.5 | Very low | 35.6 | Very low | 122 Ų | 122 | 91.2 Ų | 91.2 | 48% | 0.478 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -77 | -28.7 | 172.7 | -82 | -77.6 | 0 | 0 | 0 | 112.2 | R63 L64 E65 E69 L70 I71 | R63-Y67 WeakPolarHBondContact O-CD2 3.3Å; L64-Y67 WeakPolarHBondContact O-CB 3.42Å; L64-Y67 PolarHBondContact O-N 3Å; E65-Y67 VanDerWaalsContact C-N 3.28Å; E65-Y67 PolarHBondContact O-N 3.28Å; Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.38Å; Y67-L70 PolarHBondContact O-N 3.47Å; Y67-I71 VanDerWaalsContact O-CD1 3.28Å; Y67-I71 WeakPolarHBondContact O-CD1 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.26Å; Y67-I71 PolarHBondContact O-N 2.81Å |
| 68 | V | 35.8 | Very low | 35.5 | Very low | 32 Ų | 32 | 95 Ų | 95 | 19% | 0.194 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 177.3 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | L64 E65 L70 I71 L72 M149 | L64-V68 WeakPolarHBondContact O-CG2 3.42Å; L64-V68 PolarHBondContact O-N 3.02Å; E65-V68 VanDerWaalsContact O-CB 3.28Å; E65-V68 WeakPolarHBondContact O-CB 3.38Å; E65-V68 PolarHBondContact O-N 3.24Å; E65-V68 VanDerWaalsContact O-N 3.11Å; V68-L70 PolarHBondContact O-N 2.95Å; V68-I71 PolarHBondContact O-N 3.41Å; V68-I71 VanDerWaalsContact O-N 3.1Å; V68-L72 HydrophobicContact CG1-CD1 4.37Å; V68-L72 HydrophobicContact CG1-CG 4.47Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.91Å; V68-M149 HydrophobicContact CB-CE 4.26Å; V68-M149 HydrophobicContact CG1-CE 4.04Å; V68-M149 HydrophobicContact CG1-CG 4.31Å; V68-M149 HydrophobicContact CG1-SD 4.26Å; V68-M149 HydrophobicContact CG2-CE 3.23Å; V68-M149 HydrophobicContact CG2-SD 4.18Å |
| 69 | E | 34.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 97.2 Ų | 97.2 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -40.1 | -179.5 | -165.3 | 176.8 | -170 | 0 | 0 | 112.7 | Y67 I71 L72 T73 | Y67-E69 VanDerWaalsContact C-N 3.33Å; Y67-E69 PolarHBondContact O-N 3.38Å; E69-I71 PolarHBondContact O-N 3.47Å; E69-L72 PolarHBondContact O-N 3.45Å; E69-T73 PolarHBondContact O-OG1 2.65Å |
| 70 | L | 31 | Very low | 34.7 | Very low | 129 Ų | 129 | 100 Ų | 100 | 68% | 0.675 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.2 | -29.7 | 174.3 | -92.2 | 154.3 | 0 | 0 | 0 | 112.7 | Y67 V68 | Y67-L70 PolarHBondContact O-N 3.47Å; V68-L70 PolarHBondContact O-N 2.95Å |
| 71 | I | 28.5 | Very low | 34.7 | Very low | 68 Ų | 68 | 106.1 Ų | 106.1 | 35% | 0.349 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -81.5 | -36.5 | -178 | -67.3 | 164.1 | 0 | 0 | 0 | 111.1 | Y67 V68 E69 T73 A74 | Y67-I71 VanDerWaalsContact O-CD1 3.28Å; Y67-I71 WeakPolarHBondContact O-CD1 3.25Å; Y67-I71 WeakPolarHBondContact O-CG1 3.26Å; Y67-I71 PolarHBondContact O-N 2.81Å; V68-I71 PolarHBondContact O-N 3.41Å; V68-I71 VanDerWaalsContact O-N 3.1Å; E69-I71 PolarHBondContact O-N 3.47Å; I71-T73 VanDerWaalsContact C-N 3.28Å; I71-T73 PolarHBondContact O-N 3.44Å; I71-A74 PolarHBondContact O-N 2.84Å; I71-A74 VanDerWaalsContact O-N 3.12Å |
| 72 | L | 32.8 | Very low | 34.9 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 47% | 0.466 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.8 | -37.1 | 179 | -73.6 | 170.5 | 0 | 0 | 0 | 112.9 | V68 E69 A74 G75 | V68-L72 HydrophobicContact CG1-CD1 4.37Å; V68-L72 HydrophobicContact CG1-CG 4.47Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 2.91Å; E69-L72 PolarHBondContact O-N 3.45Å; L72-A74 PolarHBondContact O-N 2.89Å; L72-G75 PolarHBondContact O-N 3.35Å |
| 73 | T | 32.9 | Very low | 35 | Very low | 120 Ų | 120 | 110.5 Ų | 110.5 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -26.2 | 179.5 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | E69 I71 | E69-T73 PolarHBondContact O-OG1 2.65Å; I71-T73 VanDerWaalsContact C-N 3.28Å; I71-T73 PolarHBondContact O-N 3.44Å |
| 74 | A | 29.7 | Very low | 35.3 | Very low | 76 Ų | 76 | 108 Ų | 108 | 63% | 0.628 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -21.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I71 L72 | I71-A74 PolarHBondContact O-N 2.84Å; I71-A74 VanDerWaalsContact O-N 3.12Å; L72-A74 PolarHBondContact O-N 2.89Å |
| 75 | G | 28.6 | Very low | 35.8 | Very low | 30 Ų | 30 | 109 Ų | 109 | 31% | 0.309 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -79.5 | -15.8 | -169.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | L72 A77 | L72-G75 PolarHBondContact O-N 3.35Å; G75-A77 PolarHBondContact O-N 3.4Å; G75-A77 VanDerWaalsContact O-N 3.16Å |
| 76 | A | 35.5 | Very low | 35.7 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 79% | 0.793 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -67.9 | -16.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 77 | A | 37.4 | Very low | 36.1 | Very low | 89 Ų | 89 | 106.6 Ų | 106.6 | 74% | 0.736 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -90.2 | -20.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G75 | G75-A77 PolarHBondContact O-N 3.4Å; G75-A77 VanDerWaalsContact O-N 3.16Å |
| 78 | W | 38.8 | Very low | 36.7 | Very low | 113 Ų | 113 | 107 Ų | 107 | 43% | 0.428 | 58% | 0.575 | S | S | . | * | trans | -111.9 | 20.6 | -166.5 | -153.3 | 60.5 | 0 | 0 | 0 | 116 | L80 E81 V155 | W78-L80 PolarHBondContact O-N 2.94Å; W78-E81 HydrophobicContact CZ2-CB 4.44Å; W78-V155 HydrophobicContact CB-CG1 4.23Å; W78-V155 HydrophobicContact CE3-CB 4.36Å; W78-V155 HydrophobicContact CE3-CG1 4.01Å | ||
| 79 | K | 33.8 | Very low | 37 | Very low | 175 Ų | 175 | 110.8 Ų | 110.8 | 76% | 0.761 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -5.5 | 176 | -159.2 | 179.9 | 176 | -174.3 | 0 | 114.5 | ||
| 80 | L | 37.5 | Very low | 37.1 | Very low | 160 Ų | 160 | 105.9 Ų | 105.9 | 84% | 0.838 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -14.9 | -162.1 | -92.5 | 157.8 | 0 | 0 | 0 | 117.6 | W78 | W78-L80 PolarHBondContact O-N 2.94Š|
| 81 | E | 39.1 | Very low | 37.5 | Very low | 138 Ų | 138 | 104.8 Ų | 104.8 | 65% | 0.645 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -117 | -19.6 | -164.3 | -72.7 | -175.7 | 167 | 0 | 0 | 119 | W78 | W78-E81 HydrophobicContact CZ2-CB 4.44Š|
| 82 | N | 41.8 | Very low | 38 | Very low | 108 Ų | 108 | 106 Ų | 106 | 58% | 0.578 | 58% | 0.581 | S | S | * | * | trans | -146.2 | 45.3 | -173.2 | -78.1 | -68.5 | 0 | 0 | 0 | 116 | D84 | N82-D84 PolarHBondContact O-N 3.18Š| ||
| 83 | E | 41.2 | Very low | 37.9 | Very low | 128 Ų | 128 | 106.8 Ų | 106.8 | 60% | 0.598 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.8 | -30.9 | -174 | -166.5 | 167.3 | -170.6 | 0 | 0 | 114.9 | R87 | E83-R87 PolarHBondContact O-N 2.7Å |
| 84 | D | 41.8 | Very low | 38 | Very low | 104 Ų | 104 | 105.1 Ų | 105.1 | 56% | 0.556 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.3 | -44.4 | -169.2 | -73.8 | -46.4 | 0 | 0 | 0 | 114.6 | N82 F86 R87 M88 | N82-D84 PolarHBondContact O-N 3.18Å; D84-F86 PolarHBondContact O-N 3.27Å; D84-R87 PolarHBondContact O-N 3.12Å; D84-R87 IonicContact OD1-CZ 3.89Å; D84-R87 IonicContact OD1-NH1 3.4Å; D84-R87 PolarHBondContact OD1-NH1 3.38Å; D84-R87 IonicContact OD1-NH2 2.87Å; D84-R87 PolarHBondContact OD1-NH2 3.28Å; D84-M88 PolarHBondContact O-N 2.79Å |
| 85 | T | 44.1 | Very low | 38.3 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 58% | 0.577 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.4 | -34 | 176.7 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | ||
| 86 | F | 38.4 | Very low | 38.7 | Very low | 89 Ų | 89 | 106.3 Ų | 106.3 | 39% | 0.39 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -47.7 | 176.8 | 174.4 | -109.6 | 0 | 0 | 0 | 112 | D84 M88 M90 I151 | D84-F86 PolarHBondContact O-N 3.27Å; F86-M88 PolarHBondContact O-N 2.84Å; F86-M90 HydrophobicContact CE2-CG 4.04Å; F86-M90 HydrophobicContact CZ-CG 3.95Å; F86-M90 PolarHBondContact O-N 3.44Å; F86-I151 HydrophobicContact CD2-CD1 4.37Å; F86-I151 HydrophobicContact CD2-CG1 4.18Å; F86-I151 HydrophobicContact CD2-CG2 3.78Å; F86-I151 HydrophobicContact CE1-CG2 4.15Å; F86-I151 HydrophobicContact CE2-CB 3.9Å; F86-I151 HydrophobicContact CE2-CD1 3.17Å; F86-I151 HydrophobicContact CE2-CG1 3.35Å; F86-I151 HydrophobicContact CE2-CG2 3.25Å; F86-I151 HydrophobicContact CZ-CB 4.28Å; F86-I151 HydrophobicContact CZ-CD1 3.48Å; F86-I151 VanDerWaalsContact CZ-CD1 3.48Å; F86-I151 HydrophobicContact CZ-CG1 4.02Å; F86-I151 HydrophobicContact CZ-CG2 3.44Å; F86-I151 VanDerWaalsContact CZ-CG2 3.44Å |
| 87 | R | 43.5 | Very low | 38.8 | Very low | 137 Ų | 137 | 104.5 Ų | 104.5 | 52% | 0.517 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.3 | -172.8 | 175.9 | 63.9 | -134.1 | -12.4 | 112.4 | E83 D84 N89 M90 D91 | E83-R87 PolarHBondContact O-N 2.7Å; D84-R87 PolarHBondContact O-N 3.12Å; D84-R87 IonicContact OD1-CZ 3.89Å; D84-R87 IonicContact OD1-NH1 3.4Å; D84-R87 PolarHBondContact OD1-NH1 3.38Å; D84-R87 IonicContact OD1-NH2 2.87Å; D84-R87 PolarHBondContact OD1-NH2 3.28Å; R87-N89 PolarHBondContact O-N 2.78Å; R87-M90 PolarHBondContact O-N 3.44Å; R87-D91 PolarHBondContact O-N 2.78Å; R87-D91 VanDerWaalsContact O-N 3.07Å |
| 88 | M | 44.7 | Very low | 38.8 | Very low | 132 Ų | 132 | 108 Ų | 108 | 65% | 0.65 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | -173.9 | -161 | -179.1 | 73.3 | 0 | 0 | 113.5 | D84 F86 M90 S92 | D84-M88 PolarHBondContact O-N 2.79Å; F86-M88 PolarHBondContact O-N 2.84Å; M88-M90 VanDerWaalsContact C-N 3.32Å; M88-M90 PolarHBondContact O-N 3.29Å; M88-S92 PolarHBondContact O-N 2.82Å |
| 89 | N | 41 | Very low | 39 | Very low | 110 Ų | 110 | 105.9 Ų | 105.9 | 59% | 0.588 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.7 | -35.1 | 177.3 | -75.6 | -23.2 | 0 | 0 | 0 | 112 | R87 | R87-N89 PolarHBondContact O-N 2.78Å |
| 90 | M | 38.3 | Very low | 39.1 | Very low | 39 Ų | 39 | 102.9 Ų | 102.9 | 19% | 0.192 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -71.1 | -40.1 | 178.4 | -93.7 | -62.1 | -175.3 | 0 | 0 | 113.2 | F86 R87 M88 S92 Y93 M94 D147 I151 | F86-M90 HydrophobicContact CE2-CG 4.04Å; F86-M90 HydrophobicContact CZ-CG 3.95Å; F86-M90 PolarHBondContact O-N 3.44Å; R87-M90 PolarHBondContact O-N 3.44Å; M88-M90 VanDerWaalsContact C-N 3.32Å; M88-M90 PolarHBondContact O-N 3.29Å; M90-S92 PolarHBondContact O-N 3.48Å; M90-Y93 PolarHBondContact O-N 2.85Å; M90-M94 WeakPolarHBondContact O-CG 3.4Å; M90-M94 PolarHBondContact O-N 2.88Å; M90-D147 HydrophobicContact CE-CB 3.74Å; M90-I151 HydrophobicContact CE-CD1 3.22Å; M90-I151 HydrophobicContact CG-CD1 4.45Å |
| 91 | D | 38.3 | Very low | 39 | Very low | 105 Ų | 105 | 97.4 Ų | 97.4 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | -179.2 | -73 | -24.7 | 0 | 0 | 0 | 112.4 | R87 Y93 G95 | R87-D91 PolarHBondContact O-N 2.78Å; R87-D91 VanDerWaalsContact O-N 3.07Å; D91-Y93 VanDerWaalsContact C-N 3.31Å; D91-Y93 PolarHBondContact O-N 3.37Å; D91-G95 PolarHBondContact O-N 3.23Å |
| 92 | S | 39.4 | Very low | 39.1 | Very low | 93 Ų | 93 | 93.8 Ų | 93.8 | 65% | 0.65 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 112 | M88 M90 G95 | M88-S92 PolarHBondContact O-N 2.82Å; M90-S92 PolarHBondContact O-N 3.48Å; S92-G95 PolarHBondContact O-N 3.2Å |
| 93 | Y | 30.9 | Very low | 39.3 | Very low | 107 Ų | 107 | 93.4 Ų | 93.4 | 42% | 0.42 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -76.8 | -40.6 | -174.9 | -145.1 | -93.4 | 0 | 0 | 0 | 112.8 | M90 D91 G95 V96 W140 R143 | M90-Y93 PolarHBondContact O-N 2.85Å; D91-Y93 VanDerWaalsContact C-N 3.31Å; D91-Y93 PolarHBondContact O-N 3.37Å; Y93-G95 PolarHBondContact O-N 2.79Å; Y93-V96 PolarHBondContact O-N 3.27Å; Y93-V96 VanDerWaalsContact O-N 3.17Å; Y93-W140 HydrophobicContact CE1-CZ3 4.25Å; Y93-R143 VanDerWaalsContact OH-CZ 3.23Å; Y93-R143 PolarHBondContact OH-NH2 3.34Å |
| 94 | M | 35.4 | Very low | 39 | Very low | 84 Ų | 84 | 93 Ų | 93 | 41% | 0.414 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -23.2 | 174.7 | -73.1 | -69.9 | -84 | 0 | 0 | 112.7 | M90 N97 | M90-M94 WeakPolarHBondContact O-CG 3.4Å; M90-M94 PolarHBondContact O-N 2.88Å; M94-N97 VanDerWaalsContact O-CB 3.32Å; M94-N97 WeakPolarHBondContact O-CB 3.44Å; M94-N97 PolarHBondContact O-N 2.81Å |
| 95 | G | 35.5 | Very low | 38.9 | Very low | 45 Ų | 45 | 88.7 Ų | 88.7 | 46% | 0.464 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.6 | -38.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.5 | D91 S92 Y93 | D91-G95 PolarHBondContact O-N 3.23Å; S92-G95 PolarHBondContact O-N 3.2Å; Y93-G95 PolarHBondContact O-N 2.79Å |
| 96 | V | 37.3 | Very low | 39.1 | Very low | 86 Ų | 86 | 89.2 Ų | 89.2 | 52% | 0.521 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -72.5 | -31 | 179.5 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | Y93 K98 I100 | Y93-V96 PolarHBondContact O-N 3.27Å; Y93-V96 VanDerWaalsContact O-N 3.17Å; V96-K98 VanDerWaalsContact C-N 3.29Å; V96-K98 PolarHBondContact O-N 3Å; V96-I100 HydrophobicContact CG1-CD1 4.07Å |
| 97 | N | 37 | Very low | 39.4 | Very low | 59 Ų | 59 | 88 Ų | 88 | 32% | 0.316 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -57.3 | -34.3 | -179.1 | -171.1 | 5.2 | 0 | 0 | 0 | 113.5 | M94 | M94-N97 VanDerWaalsContact O-CB 3.32Å; M94-N97 WeakPolarHBondContact O-CB 3.44Å; M94-N97 PolarHBondContact O-N 2.81Å |
| 98 | K | 37.7 | Very low | 39.1 | Very low | 162 Ų | 162 | 84.9 Ų | 84.9 | 70% | 0.704 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -13.4 | -165.7 | -72.4 | -174.3 | 179.2 | 176.3 | 0 | 116.6 | V96 | V96-K98 VanDerWaalsContact C-N 3.29Å; V96-K98 PolarHBondContact O-N 3Å |
| 99 | T | 42.1 | Very low | 39.1 | Very low | 69 Ų | 69 | 81.4 Ų | 81.4 | 42% | 0.423 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -40.6 | -162.6 | 52.4 | 0 | 0 | 0 | 0 | 115.7 | N103 | T99-N103 WeakPolarHBondContact O-CB 3.48Å; T99-N103 PolarHBondContact O-N 3.19Å; T99-N103 PolarHBondContact O-ND2 3.45Å; T99-N103 VanDerWaalsContact O-ND2 3.1Å |
| 100 | I | 36 | Very low | 39.4 | Very low | 112 Ų | 112 | 81.8 Ų | 81.8 | 57% | 0.574 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -70.1 | -52.5 | -164.6 | -64.8 | 173 | 0 | 0 | 0 | 113.3 | V96 N103 F104 | V96-I100 HydrophobicContact CG1-CD1 4.07Å; I100-N103 PolarHBondContact O-N 3.1Å; I100-F104 PolarHBondContact O-N 3.1Å |
| 101 | V | 36.1 | Very low | 39.7 | Very low | 44 Ų | 44 | 84.7 Ų | 84.7 | 27% | 0.267 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | -175.2 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | N103 F104 C105 | V101-N103 VanDerWaalsContact C-N 3.33Å; V101-N103 PolarHBondContact O-N 3.05Å; V101-F104 PolarHBondContact O-N 3.27Å; V101-C105 PolarHBondContact O-N 3Å; V101-C105 VanDerWaalsContact O-N 3.09Å; V101-C105 PolarHBondContact O-SG 3.35Å |
| 102 | P | 41.6 | Very low | 39.6 | Very low | 62 Ų | 62 | 80 Ų | 80 | 40% | 0.403 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.9 | -43.6 | 172.8 | -24.6 | 35.1 | 0 | 0 | 0 | 112.4 | C105 M106 | P102-C105 PolarHBondContact O-N 2.92Å; P102-M106 WeakPolarHBondContact O-CB 3.29Å; P102-M106 WeakPolarHBondContact O-CG 3.37Å; P102-M106 PolarHBondContact O-N 2.87Å |
| 103 | N | 44.4 | Very low | 39.9 | Very low | 100 Ų | 100 | 79.3 Ų | 79.3 | 54% | 0.535 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | -178.4 | -72 | -10.7 | 0 | 0 | 0 | 112.5 | T99 I100 V101 T107 | T99-N103 WeakPolarHBondContact O-CB 3.48Å; T99-N103 PolarHBondContact O-N 3.19Å; T99-N103 PolarHBondContact O-ND2 3.45Å; T99-N103 VanDerWaalsContact O-ND2 3.1Å; I100-N103 PolarHBondContact O-N 3.1Å; V101-N103 VanDerWaalsContact C-N 3.33Å; V101-N103 PolarHBondContact O-N 3.05Å; N103-T107 WeakPolarHBondContact O-CB 3.46Å; N103-T107 PolarHBondContact O-N 2.97Å; N103-T107 PolarHBondContact O-OG1 3.41Å |
| 104 | F | 36.4 | Very low | 40.3 | Very low | 120 Ų | 120 | 78.3 Ų | 78.3 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 176.5 | -179.7 | -99.7 | 0 | 0 | 0 | 112.2 | I100 V101 M106 T107 M108 | I100-F104 PolarHBondContact O-N 3.1Å; V101-F104 PolarHBondContact O-N 3.27Å; F104-M106 PolarHBondContact O-N 3.27Å; F104-T107 PolarHBondContact O-N 2.71Å; F104-M108 HydrophobicContact CD1-CG 4.38Å; F104-M108 HydrophobicContact CE1-CG 3.9Å; F104-M108 HydrophobicContact CE2-CG 4.3Å; F104-M108 HydrophobicContact CZ-CG 3.85Å; F104-M108 HydrophobicContact CZ-SD 4.16Å; F104-M108 PolarHBondContact O-N 3.02Å |
| 105 | C | 39.4 | Very low | 40.8 | Very low | 14 Ų | 14 | 82.4 Ų | 82.4 | 10% | 0.095 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 179.4 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | V101 P102 T107 M108 L109 C129 | V101-C105 PolarHBondContact O-N 3Å; V101-C105 VanDerWaalsContact O-N 3.09Å; V101-C105 PolarHBondContact O-SG 3.35Å; P102-C105 PolarHBondContact O-N 2.92Å; C105-T107 VanDerWaalsContact C-N 3.33Å; C105-T107 PolarHBondContact O-N 2.88Å; C105-M108 PolarHBondContact O-N 3.4Å; C105-L109 WeakPolarHBondContact O-CG 3.44Å; C105-L109 PolarHBondContact O-N 3.05Å; C105-C129 HydrophobicContact CB-CB 3.98Å |
| 106 | M | 48.5 | Very low | 41.6 | Very low | 104 Ų | 104 | 87.5 Ų | 87.5 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 176.1 | -73 | -58.4 | -62.6 | 0 | 0 | 111.8 | P102 F104 L109 Q110 | P102-M106 WeakPolarHBondContact O-CB 3.29Å; P102-M106 WeakPolarHBondContact O-CG 3.37Å; P102-M106 PolarHBondContact O-N 2.87Å; F104-M106 PolarHBondContact O-N 3.27Å; M106-L109 PolarHBondContact O-N 3.42Å; M106-Q110 WeakPolarHBondContact O-CB 3.4Å; M106-Q110 VanDerWaalsContact O-CG 3.24Å; M106-Q110 WeakPolarHBondContact O-CG 3.41Å; M106-Q110 PolarHBondContact O-N 3.04Å |
| 107 | T | 43.3 | Very low | 41.9 | Very low | 63 Ų | 63 | 88.5 Ų | 88.5 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63 | -46 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | N103 F104 C105 L109 Q110 Q111 | N103-T107 WeakPolarHBondContact O-CB 3.46Å; N103-T107 PolarHBondContact O-N 2.97Å; N103-T107 PolarHBondContact O-OG1 3.41Å; F104-T107 PolarHBondContact O-N 2.71Å; C105-T107 VanDerWaalsContact C-N 3.33Å; C105-T107 PolarHBondContact O-N 2.88Å; T107-L109 PolarHBondContact O-N 2.85Å; T107-Q110 PolarHBondContact O-N 3Å; T107-Q111 WeakPolarHBondContact O-CG 3.48Å; T107-Q111 PolarHBondContact O-N 2.9Å |
| 108 | M | 37.6 | Very low | 43 | Very low | 73 Ų | 73 | 90.2 Ų | 90.2 | 36% | 0.36 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 177.5 | -77.1 | -90.2 | -74.9 | 0 | 0 | 112.3 | F104 C105 Q111 S112 I125 | F104-M108 HydrophobicContact CD1-CG 4.38Å; F104-M108 HydrophobicContact CE1-CG 3.9Å; F104-M108 HydrophobicContact CE2-CG 4.3Å; F104-M108 HydrophobicContact CZ-CG 3.85Å; F104-M108 HydrophobicContact CZ-SD 4.16Å; F104-M108 PolarHBondContact O-N 3.02Å; C105-M108 PolarHBondContact O-N 3.4Å; M108-Q111 PolarHBondContact O-N 3.36Å; M108-S112 WeakPolarHBondContact O-CB 3.45Å; M108-S112 PolarHBondContact O-N 2.79Å; M108-S112 PolarHBondContact O-OG 3.03Å; M108-I125 HydrophobicContact CB-CG2 4.37Å; M108-I125 HydrophobicContact CE-CG2 4.43Å |
| 109 | L | 44.4 | Very low | 44.4 | Very low | 59 Ų | 59 | 89.7 Ų | 89.7 | 31% | 0.309 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -68 | -38.1 | 177 | -73.7 | 169.3 | 0 | 0 | 0 | 112.6 | C105 M106 T107 S112 S113 I125 A126 | C105-L109 WeakPolarHBondContact O-CG 3.44Å; C105-L109 PolarHBondContact O-N 3.05Å; M106-L109 PolarHBondContact O-N 3.42Å; T107-L109 PolarHBondContact O-N 2.85Å; L109-S112 PolarHBondContact O-OG 3.25Å; L109-S112 VanDerWaalsContact O-OG 3.05Å; L109-S113 PolarHBondContact O-N 3.42Å; L109-S113 VanDerWaalsContact O-N 3.15Å; L109-S113 PolarHBondContact O-OG 3.45Å; L109-I125 HydrophobicContact CD2-CG2 4.23Å; L109-A126 HydrophobicContact CD2-CB 4.28Å |
| 110 | Q | 48.7 | Very low | 44.9 | Very low | 118 Ų | 118 | 91.6 Ų | 91.6 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.6 | -39.8 | 174.3 | -75.7 | 172.8 | -14.6 | 0 | 0 | 111.6 | M106 T107 S113 A114 | M106-Q110 WeakPolarHBondContact O-CB 3.4Å; M106-Q110 VanDerWaalsContact O-CG 3.24Å; M106-Q110 WeakPolarHBondContact O-CG 3.41Å; M106-Q110 PolarHBondContact O-N 3.04Å; T107-Q110 PolarHBondContact O-N 3Å; Q110-S113 PolarHBondContact O-OG 3.43Å; Q110-A114 WeakPolarHBondContact O-CB 3.46Å; Q110-A114 PolarHBondContact O-N 3.12Å; Q110-A114 VanDerWaalsContact O-N 3.14Å |
| 111 | Q | 43.8 | Very low | 45.3 | Very low | 100 Ų | 100 | 90.2 Ų | 90.2 | 47% | 0.467 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 177 | -71.6 | -175.5 | 10.2 | 0 | 0 | 112.8 | T107 M108 A114 R115 | T107-Q111 WeakPolarHBondContact O-CG 3.48Å; T107-Q111 PolarHBondContact O-N 2.9Å; M108-Q111 PolarHBondContact O-N 3.36Å; Q111-A114 PolarHBondContact O-N 3.41Å; Q111-R115 WeakPolarHBondContact O-CB 3.38Å; Q111-R115 WeakPolarHBondContact O-CG 3.38Å; Q111-R115 PolarHBondContact O-N 3.14Å; Q111-R115 VanDerWaalsContact O-N 3.12Å |
| 112 | S | 35.9 | Very low | 45.6 | Very low | 6 Ų | 6 | 90.9 Ų | 90.9 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -69.8 | -35.1 | -179.4 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | M108 L109 Q122 | M108-S112 WeakPolarHBondContact O-CB 3.45Å; M108-S112 PolarHBondContact O-N 2.79Å; M108-S112 PolarHBondContact O-OG 3.03Å; L109-S112 PolarHBondContact O-OG 3.25Å; L109-S112 VanDerWaalsContact O-OG 3.05Å; S112-Q122 PolarHBondContact O-NE2 3.42Å |
| 113 | S | 44.8 | Very low | 46.1 | Very low | 78 Ų | 78 | 92.1 Ų | 92.1 | 55% | 0.545 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.6 | -38.5 | 173.1 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | L109 Q110 R115 | L109-S113 PolarHBondContact O-N 3.42Å; L109-S113 VanDerWaalsContact O-N 3.15Å; L109-S113 PolarHBondContact O-OG 3.45Å; Q110-S113 PolarHBondContact O-OG 3.43Å; S113-R115 VanDerWaalsContact C-N 3.34Å; S113-R115 PolarHBondContact O-N 2.79Å |
| 114 | A | 40.9 | Very low | 46.1 | Very low | 86 Ų | 86 | 92.8 Ų | 92.8 | 71% | 0.711 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.7 | -29 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q110 Q111 | Q110-A114 WeakPolarHBondContact O-CB 3.46Å; Q110-A114 PolarHBondContact O-N 3.12Å; Q110-A114 VanDerWaalsContact O-N 3.14Å; Q111-A114 PolarHBondContact O-N 3.41Å |
| 115 | R | 45.4 | Very low | 46.3 | Very low | 170 Ų | 170 | 88 Ų | 88 | 64% | 0.642 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 9 | -173.2 | -69.4 | -172.7 | 177.9 | -160.7 | 1.6 | 115.2 | Q111 S113 W117 | Q111-R115 WeakPolarHBondContact O-CB 3.38Å; Q111-R115 WeakPolarHBondContact O-CG 3.38Å; Q111-R115 PolarHBondContact O-N 3.14Å; Q111-R115 VanDerWaalsContact O-N 3.12Å; S113-R115 VanDerWaalsContact C-N 3.34Å; S113-R115 PolarHBondContact O-N 2.79Å; R115-W117 HydrophobicContact CB-CG 4.41Å; R115-W117 VanDerWaalsContact O-CD1 3.31Å; R115-W117 PolarHBondContact O-N 3.15Å |
| 116 | N | 51.7 | Low | 46.7 | Very low | 153 Ų | 153 | 89.3 Ų | 89.3 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.7 | 176.5 | -136.3 | 18.3 | 0 | 0 | 0 | 113.4 | ||
| 117 | W | 44.8 | Very low | 46.4 | Very low | 107 Ų | 107 | 91.9 Ų | 91.9 | 41% | 0.405 | 47% | 0.467 | S | S | . | . | trans | -66 | 150.8 | 179.8 | -73.1 | 3.1 | 0 | 0 | 0 | 112 | R115 I121 Q122 I125 | R115-W117 HydrophobicContact CB-CG 4.41Å; R115-W117 VanDerWaalsContact O-CD1 3.31Å; R115-W117 PolarHBondContact O-N 3.15Å; W117-I121 HydrophobicContact CB-CB 4.5Å; W117-I121 HydrophobicContact CD2-CG2 4.22Å; W117-I121 HydrophobicContact CE3-CG2 3.48Å; W117-I121 VanDerWaalsContact CE3-CG2 3.48Å; W117-I121 HydrophobicContact CZ3-CG2 4.03Å; W117-Q122 HydrophobicContact CB-CG 4.05Å; W117-Q122 PolarHBondContact O-NE2 2.92Å; W117-I125 HydrophobicContact CE3-CD1 3.43Å; W117-I125 VanDerWaalsContact CE3-CD1 3.43Å; W117-I125 HydrophobicContact CZ3-CD1 3.31Å | ||
| 118 | D | 59.2 | Low | 46.3 | Very low | 94 Ų | 94 | 90.2 Ų | 90.2 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | trans | -52.2 | 141 | 173.7 | -178.1 | -85.4 | 0 | 0 | 0 | 110.9 | N120 I121 Q122 | D118-N120 PolarHBondContact O-N 3.05Å; D118-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 VanDerWaalsContact OD1-CB 3.27Å; D118-N120 WeakPolarHBondContact OD1-CB 3.45Å; D118-N120 PolarHBondContact OD1-N 2.95Å; D118-I121 HydrophobicContact CB-CD1 4.2Å; D118-I121 HydrophobicContact CB-CG1 4.27Å; D118-I121 WeakPolarHBondContact O-CB 3.46Å; D118-I121 PolarHBondContact O-N 3.4Å; D118-Q122 PolarHBondContact O-N 2.96Å; D118-Q122 VanDerWaalsContact O-N 3.09Å | ||
| 119 | K | 66.7 | Low | 46.6 | Very low | 151 Ų | 151 | 87.3 Ų | 87.3 | 66% | 0.657 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -56.4 | -33.2 | -174.7 | -169.1 | 173.9 | -177.3 | 177.4 | 0 | 112.5 | Q122 N123 | K119-Q122 PolarHBondContact O-N 3.19Å; K119-N123 WeakPolarHBondContact O-CB 3.34Å; K119-N123 PolarHBondContact O-N 3.28Å; K119-N123 PolarHBondContact O-ND2 2.86Å |
| 120 | N | 53.2 | Low | 46.8 | Very low | 109 Ų | 109 | 90.4 Ų | 90.4 | 58% | 0.583 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.6 | -38.9 | 176.5 | -68.9 | -32.9 | 0 | 0 | 0 | 112 | D118 N123 N124 | D118-N120 PolarHBondContact O-N 3.05Å; D118-N120 VanDerWaalsContact O-N 3.13Å; D118-N120 VanDerWaalsContact OD1-CB 3.27Å; D118-N120 WeakPolarHBondContact OD1-CB 3.45Å; D118-N120 PolarHBondContact OD1-N 2.95Å; N120-N123 PolarHBondContact O-N 3.35Å; N120-N124 WeakPolarHBondContact O-CB 3.39Å; N120-N124 PolarHBondContact O-N 3.35Å; N120-N124 PolarHBondContact O-ND2 2.86Å |
| 121 | I | 43.9 | Very low | 46.6 | Very low | 83 Ų | 83 | 87.6 Ų | 87.6 | 43% | 0.426 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 177.4 | -59 | 176.7 | 0 | 0 | 0 | 109.9 | W117 D118 N123 N124 I125 | W117-I121 HydrophobicContact CB-CB 4.5Å; W117-I121 HydrophobicContact CD2-CG2 4.22Å; W117-I121 HydrophobicContact CE3-CG2 3.48Å; W117-I121 VanDerWaalsContact CE3-CG2 3.48Å; W117-I121 HydrophobicContact CZ3-CG2 4.03Å; D118-I121 HydrophobicContact CB-CD1 4.2Å; D118-I121 HydrophobicContact CB-CG1 4.27Å; D118-I121 WeakPolarHBondContact O-CB 3.46Å; D118-I121 PolarHBondContact O-N 3.4Å; I121-N123 VanDerWaalsContact C-N 3.35Å; I121-N123 PolarHBondContact O-N 2.89Å; I121-N124 PolarHBondContact O-N 3.26Å; I121-I125 HydrophobicContact CG2-CD1 4.08Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.18Å |
| 122 | Q | 43.3 | Very low | 46.5 | Very low | 59 Ų | 59 | 86.1 Ų | 86.1 | 28% | 0.276 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 176.2 | -67.3 | -178.6 | -10 | 0 | 0 | 111.8 | S112 W117 D118 K119 N124 I125 A126 | S112-Q122 PolarHBondContact O-NE2 3.42Å; W117-Q122 HydrophobicContact CB-CG 4.05Å; W117-Q122 PolarHBondContact O-NE2 2.92Å; D118-Q122 PolarHBondContact O-N 2.96Å; D118-Q122 VanDerWaalsContact O-N 3.09Å; K119-Q122 PolarHBondContact O-N 3.19Å; Q122-N124 PolarHBondContact O-N 3.46Å; Q122-I125 PolarHBondContact O-N 2.78Å; Q122-A126 PolarHBondContact O-N 3.35Å |
| 123 | N | 51.4 | Low | 47.1 | Very low | 87 Ų | 87 | 92 Ų | 92 | 47% | 0.465 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.8 | -71.8 | -18 | 0 | 0 | 0 | 112.1 | K119 N120 I121 I125 A126 Y127 | K119-N123 WeakPolarHBondContact O-CB 3.34Å; K119-N123 PolarHBondContact O-N 3.28Å; K119-N123 PolarHBondContact O-ND2 2.86Å; N120-N123 PolarHBondContact O-N 3.35Å; I121-N123 VanDerWaalsContact C-N 3.35Å; I121-N123 PolarHBondContact O-N 2.89Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.31Å; N123-A126 PolarHBondContact O-N 2.87Å; N123-Y127 WeakPolarHBondContact O-CB 3.22Å; N123-Y127 PolarHBondContact O-N 3.42Å |
| 124 | N | 44 | Very low | 47.3 | Very low | 114 Ų | 114 | 94.1 Ų | 94.1 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.2 | -38 | 177.4 | -73.7 | -17.9 | 0 | 0 | 0 | 112.3 | N120 I121 Q122 G128 | N120-N124 WeakPolarHBondContact O-CB 3.39Å; N120-N124 PolarHBondContact O-N 3.35Å; N120-N124 PolarHBondContact O-ND2 2.86Å; I121-N124 PolarHBondContact O-N 3.26Å; Q122-N124 PolarHBondContact O-N 3.46Å; N124-G128 PolarHBondContact O-N 2.84Å |
| 125 | I | 42.4 | Very low | 47.4 | Very low | 21 Ų | 21 | 92.9 Ų | 92.9 | 11% | 0.108 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -67.8 | -45.6 | 175.7 | -65.9 | 160.3 | 0 | 0 | 0 | 110.9 | M108 L109 W117 I121 Q122 N123 Y127 G128 C129 | M108-I125 HydrophobicContact CB-CG2 4.37Å; M108-I125 HydrophobicContact CE-CG2 4.43Å; L109-I125 HydrophobicContact CD2-CG2 4.23Å; W117-I125 HydrophobicContact CE3-CD1 3.43Å; W117-I125 VanDerWaalsContact CE3-CD1 3.43Å; W117-I125 HydrophobicContact CZ3-CD1 3.31Å; I121-I125 HydrophobicContact CG2-CD1 4.08Å; I121-I125 WeakPolarHBondContact O-CG1 3.47Å; I121-I125 PolarHBondContact O-N 3.18Å; Q122-I125 PolarHBondContact O-N 2.78Å; N123-I125 VanDerWaalsContact C-N 3.34Å; N123-I125 PolarHBondContact O-N 3.31Å; I125-Y127 VanDerWaalsContact C-N 3.32Å; I125-Y127 PolarHBondContact O-N 3.41Å; I125-G128 PolarHBondContact O-N 3.5Å; I125-C129 WeakPolarHBondContact O-CB 3.38Å; I125-C129 PolarHBondContact O-N 2.85Å; I125-C129 PolarHBondContact O-SG 2.8Å |
| 126 | A | 46.3 | Very low | 47.4 | Very low | 40 Ų | 40 | 85.3 Ų | 85.3 | 33% | 0.331 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L109 Q122 N123 C129 E130 | L109-A126 HydrophobicContact CD2-CB 4.28Å; Q122-A126 PolarHBondContact O-N 3.35Å; N123-A126 PolarHBondContact O-N 2.87Å; A126-C129 PolarHBondContact O-N 3.08Å; A126-E130 PolarHBondContact O-N 3.11Å |
| 127 | Y | 43.6 | Very low | 47.4 | Very low | 158 Ų | 158 | 82.7 Ų | 82.7 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -59.6 | -48.2 | 174.3 | 178.8 | -102.6 | 0 | 0 | 0 | 112.1 | N123 I125 C129 E130 V131 | N123-Y127 WeakPolarHBondContact O-CB 3.22Å; N123-Y127 PolarHBondContact O-N 3.42Å; I125-Y127 VanDerWaalsContact C-N 3.32Å; I125-Y127 PolarHBondContact O-N 3.41Å; Y127-C129 VanDerWaalsContact C-N 3.3Å; Y127-C129 PolarHBondContact O-N 2.91Å; Y127-E130 PolarHBondContact O-N 3.41Å; Y127-V131 HydrophobicContact CD1-CG2 4.21Å; Y127-V131 HydrophobicContact CD2-CG2 4.42Å; Y127-V131 HydrophobicContact CE1-CG2 3.77Å; Y127-V131 HydrophobicContact CE2-CG2 4.01Å; Y127-V131 WeakPolarHBondContact O-CG2 3.48Å; Y127-V131 PolarHBondContact O-N 2.94Å |
| 128 | G | 40.3 | Very low | 47.4 | Very low | 28 Ų | 28 | 85 Ų | 85 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.5 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | N124 I125 V131 L132 | N124-G128 PolarHBondContact O-N 2.84Å; I125-G128 PolarHBondContact O-N 3.5Å; G128-V131 PolarHBondContact O-N 3.1Å; G128-L132 WeakPolarHBondContact O-CB 3.49Å; G128-L132 WeakPolarHBondContact O-CG 3.48Å; G128-L132 PolarHBondContact O-N 3.49Å |
| 129 | C | 44 | Very low | 46.7 | Very low | 13 Ų | 13 | 82.8 Ų | 82.8 | 9% | 0.088 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 175.9 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | C105 I125 A126 Y127 L132 K133 | C105-C129 HydrophobicContact CB-CB 3.98Å; I125-C129 WeakPolarHBondContact O-CB 3.38Å; I125-C129 PolarHBondContact O-N 2.85Å; I125-C129 PolarHBondContact O-SG 2.8Å; A126-C129 PolarHBondContact O-N 3.08Å; Y127-C129 VanDerWaalsContact C-N 3.3Å; Y127-C129 PolarHBondContact O-N 2.91Å; C129-L132 PolarHBondContact O-N 3.49Å; C129-K133 WeakPolarHBondContact O-CB 3.35Å; C129-K133 PolarHBondContact O-N 3.48Å |
| 130 | E | 48.7 | Very low | 45.7 | Very low | 124 Ų | 124 | 79.2 Ų | 79.2 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.1 | -42.9 | 174.8 | -76 | -154.6 | 154.9 | 0 | 0 | 112.1 | A126 Y127 K133 K134 | A126-E130 PolarHBondContact O-N 3.11Å; Y127-E130 PolarHBondContact O-N 3.41Å; E130-K133 PolarHBondContact O-N 2.81Å; E130-K134 WeakPolarHBondContact O-CB 3.35Å; E130-K134 WeakPolarHBondContact O-CG 3.32Å; E130-K134 PolarHBondContact O-N 3.32Å |
| 131 | V | 44 | Very low | 45.4 | Very low | 59 Ų | 59 | 75.5 Ų | 75.5 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 175.4 | 173 | 0 | 0 | 0 | 0 | 110.2 | Y127 G128 K133 K134 Y135 | Y127-V131 HydrophobicContact CD1-CG2 4.21Å; Y127-V131 HydrophobicContact CD2-CG2 4.42Å; Y127-V131 HydrophobicContact CE1-CG2 3.77Å; Y127-V131 HydrophobicContact CE2-CG2 4.01Å; Y127-V131 WeakPolarHBondContact O-CG2 3.48Å; Y127-V131 PolarHBondContact O-N 2.94Å; G128-V131 PolarHBondContact O-N 3.1Å; V131-K133 PolarHBondContact O-N 3.19Å; V131-K134 PolarHBondContact O-N 3.06Å; V131-Y135 VanDerWaalsContact O-CB 3.22Å; V131-Y135 WeakPolarHBondContact O-CB 3.22Å; V131-Y135 PolarHBondContact O-N 2.84Å |
| 132 | L | 43 | Very low | 45.3 | Very low | 69 Ų | 69 | 72.6 Ų | 72.6 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 176 | -80.2 | 168.5 | 0 | 0 | 0 | 112.7 | G128 C129 Y135 S136 | G128-L132 WeakPolarHBondContact O-CB 3.49Å; G128-L132 WeakPolarHBondContact O-CG 3.48Å; G128-L132 PolarHBondContact O-N 3.49Å; C129-L132 PolarHBondContact O-N 3.49Å; L132-Y135 WeakPolarHBondContact O-CB 3.39Å; L132-Y135 PolarHBondContact O-N 3.25Å; L132-S136 VanDerWaalsContact O-CB 3.27Å; L132-S136 WeakPolarHBondContact O-CB 3.36Å; L132-S136 PolarHBondContact O-N 3.36Å |
| 133 | K | 47.9 | Very low | 45.3 | Very low | 130 Ų | 130 | 71.9 Ų | 71.9 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -67.8 | -44.2 | 176.2 | -171.3 | 175.3 | -178.7 | 180 | 0 | 111.5 | C129 E130 V131 S136 N137 | C129-K133 WeakPolarHBondContact O-CB 3.35Å; C129-K133 PolarHBondContact O-N 3.48Å; E130-K133 PolarHBondContact O-N 2.81Å; V131-K133 PolarHBondContact O-N 3.19Å; K133-S136 PolarHBondContact O-N 2.9Å; K133-N137 WeakPolarHBondContact O-CB 3.08Å; K133-N137 VanDerWaalsContact O-CG 3.28Å; K133-N137 PolarHBondContact O-N 3.41Å |
| 134 | K | 48.3 | Very low | 45 | Very low | 122 Ų | 122 | 69.9 Ų | 69.9 | 53% | 0.53 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.6 | -77.6 | 179.5 | 179.9 | 170.6 | 0 | 111.3 | E130 V131 N137 W138 | E130-K134 WeakPolarHBondContact O-CB 3.35Å; E130-K134 WeakPolarHBondContact O-CG 3.32Å; E130-K134 PolarHBondContact O-N 3.32Å; V131-K134 PolarHBondContact O-N 3.06Å; K134-N137 PolarHBondContact O-N 3.41Å; K134-W138 WeakPolarHBondContact O-CB 3.38Å; K134-W138 PolarHBondContact O-N 3.44Å |
| 135 | Y | 43.3 | Very low | 45.2 | Very low | 60 Ų | 60 | 69.1 Ų | 69.1 | 24% | 0.235 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.6 | -50.5 | 173.1 | 167.2 | -87.7 | 0 | 0 | 0 | 111.4 | V131 L132 N137 W138 K139 V273 Y277 | V131-Y135 VanDerWaalsContact O-CB 3.22Å; V131-Y135 WeakPolarHBondContact O-CB 3.22Å; V131-Y135 PolarHBondContact O-N 2.84Å; L132-Y135 WeakPolarHBondContact O-CB 3.39Å; L132-Y135 PolarHBondContact O-N 3.25Å; Y135-N137 PolarHBondContact O-N 3.04Å; Y135-W138 PolarHBondContact O-N 3.34Å; Y135-K139 HydrophobicContact CE1-CD 3.93Å; Y135-K139 VanDerWaalsContact O-CB 3.3Å; Y135-K139 WeakPolarHBondContact O-CB 3.48Å; Y135-K139 PolarHBondContact O-N 3.45Å; Y135-K139 WeakPolarHBondContact OH-CD 3.5Å; Y135-V273 HydrophobicContact CD2-CG1 4.37Å; Y135-V273 HydrophobicContact CE2-CG1 3.28Å; Y135-V273 VanDerWaalsContact OH-CG1 3.28Å; Y135-V273 WeakPolarHBondContact OH-CG1 3.37Å; Y135-Y277 AromaticContact CD2-CD2 3.9Å; Y135-Y277 HydrophobicContact CD2-CD2 3.9Å; Y135-Y277 HydrophobicContact CD2-CE2 4.17Å; Y135-Y277 HydrophobicContact CD2-CG 4.38Å; Y135-Y277 HydrophobicContact CE2-CD2 4Å |
| 136 | S | 45.5 | Very low | 45.1 | Very low | 10 Ų | 10 | 70.3 Ų | 70.3 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | -179.8 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | L132 K133 W138 W140 | L132-S136 VanDerWaalsContact O-CB 3.27Å; L132-S136 WeakPolarHBondContact O-CB 3.36Å; L132-S136 PolarHBondContact O-N 3.36Å; K133-S136 PolarHBondContact O-N 2.9Å; S136-W138 VanDerWaalsContact C-N 3.33Å; S136-W138 PolarHBondContact O-N 3.36Å; S136-W140 VanDerWaalsContact O-CB 3.24Å; S136-W140 WeakPolarHBondContact O-CB 3.34Å; S136-W140 PolarHBondContact O-N 3.31Å; S136-W140 PolarHBondContact OG-NE1 2.97Å |
| 137 | N | 51.7 | Low | 44.9 | Very low | 99 Ų | 99 | 69.9 Ų | 69.9 | 53% | 0.529 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.5 | -37.4 | 176.2 | -71.5 | -9.9 | 0 | 0 | 0 | 112.9 | K133 K134 Y135 G141 | K133-N137 WeakPolarHBondContact O-CB 3.08Å; K133-N137 VanDerWaalsContact O-CG 3.28Å; K133-N137 PolarHBondContact O-N 3.41Å; K134-N137 PolarHBondContact O-N 3.41Å; Y135-N137 PolarHBondContact O-N 3.04Å; N137-G141 VanDerWaalsContact O-CA 3.25Å; N137-G141 WeakPolarHBondContact O-CA 3.49Å; N137-G141 PolarHBondContact O-N 2.96Å |
| 138 | W | 45.5 | Very low | 44.9 | Very low | 156 Ų | 156 | 66 Ų | 66 | 59% | 0.591 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.2 | -48.6 | 177.7 | -74.2 | -9.4 | 0 | 0 | 0 | 112.6 | K134 Y135 S136 A142 Y277 | K134-W138 WeakPolarHBondContact O-CB 3.38Å; K134-W138 PolarHBondContact O-N 3.44Å; Y135-W138 PolarHBondContact O-N 3.34Å; S136-W138 VanDerWaalsContact C-N 3.33Å; S136-W138 PolarHBondContact O-N 3.36Å; W138-A142 WeakPolarHBondContact O-CB 3.25Å; W138-A142 PolarHBondContact O-N 2.89Å; W138-Y277 WeakPolarHBondContact CZ3-OH 3.35Å |
| 139 | K | 43.4 | Very low | 45.1 | Very low | 47 Ų | 47 | 67.8 Ų | 67.8 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -50.9 | 176.7 | -177 | 173 | -176.6 | 170.2 | 0 | 109.9 | Y135 R143 V273 | Y135-K139 HydrophobicContact CE1-CD 3.93Å; Y135-K139 VanDerWaalsContact O-CB 3.3Å; Y135-K139 WeakPolarHBondContact O-CB 3.48Å; Y135-K139 PolarHBondContact O-N 3.45Å; Y135-K139 WeakPolarHBondContact OH-CD 3.5Å; K139-R143 WeakPolarHBondContact O-CB 3.49Å; K139-R143 PolarHBondContact O-N 3.33Å; K139-V273 HydrophobicContact CD-CG1 4.43Å |
| 140 | W | 45.7 | Very low | 45 | Very low | 76 Ų | 76 | 68.3 Ų | 68.3 | 29% | 0.288 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -76.9 | -34.5 | -178.8 | -60.2 | 123.6 | 0 | 0 | 0 | 113.1 | Y93 S136 R143 T144 | Y93-W140 HydrophobicContact CE1-CZ3 4.25Å; S136-W140 VanDerWaalsContact O-CB 3.24Å; S136-W140 WeakPolarHBondContact O-CB 3.34Å; S136-W140 PolarHBondContact O-N 3.31Å; S136-W140 PolarHBondContact OG-NE1 2.97Å; W140-R143 HydrophobicContact CE3-CB 4.45Å; W140-R143 CarbonylContact O-C 3.57Å; W140-R143 PolarHBondContact O-N 2.9Å; W140-T144 WeakPolarHBondContact O-CB 3.46Å; W140-T144 PolarHBondContact O-N 3.31Å; W140-T144 PolarHBondContact O-OG1 3.42Å |
| 141 | G | 47.5 | Very low | 44.5 | Very low | 31 Ų | 31 | 63.9 Ų | 63.9 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.3 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N137 R143 N145 | N137-G141 VanDerWaalsContact O-CA 3.25Å; N137-G141 WeakPolarHBondContact O-CA 3.49Å; N137-G141 PolarHBondContact O-N 2.96Å; G141-R143 VanDerWaalsContact C-N 3.33Å; G141-N145 PolarHBondContact O-N 3.43Å; G141-N145 VanDerWaalsContact O-N 3.08Å |
| 142 | A | 42.4 | Very low | 44.3 | Very low | 22 Ų | 22 | 65 Ų | 65 | 18% | 0.182 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W138 N145 L146 M269 | W138-A142 WeakPolarHBondContact O-CB 3.25Å; W138-A142 PolarHBondContact O-N 2.89Å; A142-N145 PolarHBondContact O-N 2.75Å; A142-L146 PolarHBondContact O-N 3.34Å; A142-M269 HydrophobicContact CB-CE 3.82Å |
| 143 | R | 43 | Very low | 44.2 | Very low | 44 Ų | 44 | 64.5 Ų | 64.5 | 17% | 0.166 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 176.3 | -169 | 167.2 | -175.8 | 167.1 | 9.8 | 112.7 | Y93 K139 W140 G141 N145 L146 D147 | Y93-R143 VanDerWaalsContact OH-CZ 3.23Å; Y93-R143 PolarHBondContact OH-NH2 3.34Å; K139-R143 WeakPolarHBondContact O-CB 3.49Å; K139-R143 PolarHBondContact O-N 3.33Å; W140-R143 HydrophobicContact CE3-CB 4.45Å; W140-R143 CarbonylContact O-C 3.57Å; W140-R143 PolarHBondContact O-N 2.9Å; G141-R143 VanDerWaalsContact C-N 3.33Å; R143-N145 VanDerWaalsContact C-N 3.3Å; R143-N145 PolarHBondContact O-N 3.34Å; R143-L146 CarbonylContact O-C 3.58Å; R143-L146 PolarHBondContact O-N 2.76Å; R143-L146 VanDerWaalsContact O-N 3.08Å; R143-D147 WeakPolarHBondContact O-CB 3.35Å; R143-D147 PolarHBondContact O-N 2.93Å |
| 144 | T | 45.9 | Very low | 43.6 | Very low | 44 Ų | 44 | 62.4 Ų | 62.4 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 174.2 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | W140 L146 D147 L148 | W140-T144 WeakPolarHBondContact O-CB 3.46Å; W140-T144 PolarHBondContact O-N 3.31Å; W140-T144 PolarHBondContact O-OG1 3.42Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.44Å; T144-D147 PolarHBondContact O-N 3.12Å; T144-L148 HydrophobicContact CG2-CD1 4.11Å; T144-L148 HydrophobicContact CG2-CG 4.47Å; T144-L148 WeakPolarHBondContact O-CB 3.35Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 3.21Å |
| 145 | N | 46.8 | Very low | 43.1 | Very low | 99 Ų | 99 | 58.9 Ų | 58.9 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.8 | -74.9 | -14.8 | 0 | 0 | 0 | 112 | G141 A142 R143 L148 M149 | G141-N145 PolarHBondContact O-N 3.43Å; G141-N145 VanDerWaalsContact O-N 3.08Å; A142-N145 PolarHBondContact O-N 2.75Å; R143-N145 VanDerWaalsContact C-N 3.3Å; R143-N145 PolarHBondContact O-N 3.34Å; N145-L148 PolarHBondContact O-N 2.92Å; N145-M149 WeakPolarHBondContact O-CB 3.4Å; N145-M149 WeakPolarHBondContact O-CG 3.3Å; N145-M149 PolarHBondContact O-N 3.41Å |
| 146 | L | 41.4 | Very low | 43 | Very low | 45 Ų | 45 | 58.2 Ų | 58.2 | 24% | 0.236 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.8 | -35.6 | 177.9 | -82.4 | 163.6 | 0 | 0 | 0 | 113.7 | A142 R143 T144 L148 M149 T150 V265 M269 | A142-L146 PolarHBondContact O-N 3.34Å; R143-L146 CarbonylContact O-C 3.58Å; R143-L146 PolarHBondContact O-N 2.76Å; R143-L146 VanDerWaalsContact O-N 3.08Å; T144-L146 VanDerWaalsContact C-N 3.34Å; T144-L146 PolarHBondContact O-N 3.44Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L146-M149 HydrophobicContact CD2-CE 4.18Å; L146-M149 HydrophobicContact CD2-SD 4.27Å; L146-M149 PolarHBondContact O-N 2.94Å; L146-T150 WeakPolarHBondContact O-CB 3.47Å; L146-T150 PolarHBondContact O-N 3.27Å; L146-T150 PolarHBondContact O-OG1 3.39Å; L146-V265 HydrophobicContact CD1-CG1 4.31Å; L146-V265 HydrophobicContact CD2-CG1 4.16Å; L146-M269 HydrophobicContact CD1-CE 3.34Å; L146-M269 HydrophobicContact CD1-CG 4.35Å; L146-M269 HydrophobicContact CD1-SD 2.96Å; L146-M269 WeakPolarHBondContact CD1-SD 3.48Å; L146-M269 HydrophobicContact CG-SD 4.43Å |
| 147 | D | 42.2 | Very low | 42.4 | Very low | 31 Ų | 31 | 61.3 Ų | 61.3 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.8 | -48.9 | 170.5 | -66.7 | -26.9 | 0 | 0 | 0 | 107.9 | M90 R143 T144 M149 T150 I151 | M90-D147 HydrophobicContact CE-CB 3.74Å; R143-D147 WeakPolarHBondContact O-CB 3.35Å; R143-D147 PolarHBondContact O-N 2.93Å; T144-D147 PolarHBondContact O-N 3.12Å; D147-M149 VanDerWaalsContact C-N 3.31Å; D147-M149 PolarHBondContact O-N 3.48Å; D147-T150 CarbonylContact O-C 3.54Å; D147-T150 WeakPolarHBondContact O-CA 3.49Å; D147-T150 WeakPolarHBondContact O-CB 3.22Å; D147-T150 PolarHBondContact O-N 3Å; D147-T150 VanDerWaalsContact O-N 3.1Å; D147-I151 HydrophobicContact CB-CD1 4.45Å; D147-I151 WeakPolarHBondContact O-CB 3.45Å; D147-I151 WeakPolarHBondContact O-CD1 3.41Å; D147-I151 WeakPolarHBondContact O-CG1 3.27Å; D147-I151 PolarHBondContact O-N 3.47Å |
| 148 | L | 43.7 | Very low | 41.9 | Very low | 77 Ų | 77 | 60.3 Ų | 60.3 | 40% | 0.403 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 175.4 | -73.7 | 170.3 | 0 | 0 | 0 | 112.6 | T144 N145 L146 I151 Q152 | T144-L148 HydrophobicContact CG2-CD1 4.11Å; T144-L148 HydrophobicContact CG2-CG 4.47Å; T144-L148 WeakPolarHBondContact O-CB 3.35Å; T144-L148 WeakPolarHBondContact O-CG 3.35Å; T144-L148 PolarHBondContact O-N 3.21Å; N145-L148 PolarHBondContact O-N 2.92Å; L146-L148 VanDerWaalsContact C-N 3.35Å; L148-I151 WeakPolarHBondContact O-CB 3.42Å; L148-I151 PolarHBondContact O-N 3.34Å; L148-Q152 WeakPolarHBondContact O-CB 3.24Å; L148-Q152 VanDerWaalsContact O-CG 3.22Å; L148-Q152 WeakPolarHBondContact O-CG 3.39Å; L148-Q152 PolarHBondContact O-N 3.4Å |
| 149 | M | 44.2 | Very low | 41.8 | Very low | 65 Ų | 65 | 62.9 Ų | 62.9 | 32% | 0.32 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 175.4 | -72.6 | 168.3 | 54.2 | 0 | 0 | 112.2 | V68 N145 L146 D147 I151 Q152 W153 | V68-M149 HydrophobicContact CB-CE 4.26Å; V68-M149 HydrophobicContact CG1-CE 4.04Å; V68-M149 HydrophobicContact CG1-CG 4.31Å; V68-M149 HydrophobicContact CG1-SD 4.26Å; V68-M149 HydrophobicContact CG2-CE 3.23Å; V68-M149 HydrophobicContact CG2-SD 4.18Å; N145-M149 WeakPolarHBondContact O-CB 3.4Å; N145-M149 WeakPolarHBondContact O-CG 3.3Å; N145-M149 PolarHBondContact O-N 3.41Å; L146-M149 HydrophobicContact CD2-CE 4.18Å; L146-M149 HydrophobicContact CD2-SD 4.27Å; L146-M149 PolarHBondContact O-N 2.94Å; D147-M149 VanDerWaalsContact C-N 3.31Å; D147-M149 PolarHBondContact O-N 3.48Å; M149-I151 VanDerWaalsContact C-N 3.32Å; M149-Q152 PolarHBondContact O-N 3Å; M149-W153 WeakPolarHBondContact O-CB 3.3Å; M149-W153 PolarHBondContact O-N 3.45Å |
| 150 | T | 40.7 | Very low | 41.7 | Very low | 25 Ų | 25 | 67 Ų | 67 | 15% | 0.153 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -40 | 174.8 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | L146 D147 W153 L154 V262 | L146-T150 WeakPolarHBondContact O-CB 3.47Å; L146-T150 PolarHBondContact O-N 3.27Å; L146-T150 PolarHBondContact O-OG1 3.39Å; D147-T150 CarbonylContact O-C 3.54Å; D147-T150 WeakPolarHBondContact O-CA 3.49Å; D147-T150 WeakPolarHBondContact O-CB 3.22Å; D147-T150 PolarHBondContact O-N 3Å; D147-T150 VanDerWaalsContact O-N 3.1Å; T150-W153 CarbonylContact O-C 3.55Å; T150-W153 PolarHBondContact O-N 2.97Å; T150-L154 HydrophobicContact CG2-CD1 3.89Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 WeakPolarHBondContact O-CB 3.37Å; T150-L154 VanDerWaalsContact O-CG 3.27Å; T150-L154 WeakPolarHBondContact O-CG 3.34Å; T150-L154 PolarHBondContact O-N 3.02Å; T150-V262 HydrophobicContact CG2-CB 4.32Å; T150-V262 HydrophobicContact CG2-CG1 4.2Å; T150-V262 HydrophobicContact CG2-CG2 3.17Å |
| 151 | I | 38.5 | Very low | 41.4 | Very low | 31 Ų | 31 | 67.8 Ų | 67.8 | 16% | 0.159 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.9 | -48.4 | 174.9 | -70.3 | 156.3 | 0 | 0 | 0 | 109.9 | F86 M90 D147 L148 M149 W153 L154 V155 | F86-I151 HydrophobicContact CD2-CD1 4.37Å; F86-I151 HydrophobicContact CD2-CG1 4.18Å; F86-I151 HydrophobicContact CD2-CG2 3.78Å; F86-I151 HydrophobicContact CE1-CG2 4.15Å; F86-I151 HydrophobicContact CE2-CB 3.9Å; F86-I151 HydrophobicContact CE2-CD1 3.17Å; F86-I151 HydrophobicContact CE2-CG1 3.35Å; F86-I151 HydrophobicContact CE2-CG2 3.25Å; F86-I151 HydrophobicContact CZ-CB 4.28Å; F86-I151 HydrophobicContact CZ-CD1 3.48Å; F86-I151 VanDerWaalsContact CZ-CD1 3.48Å; F86-I151 HydrophobicContact CZ-CG1 4.02Å; F86-I151 HydrophobicContact CZ-CG2 3.44Å; F86-I151 VanDerWaalsContact CZ-CG2 3.44Å; M90-I151 HydrophobicContact CE-CD1 3.22Å; M90-I151 HydrophobicContact CG-CD1 4.45Å; D147-I151 HydrophobicContact CB-CD1 4.45Å; D147-I151 WeakPolarHBondContact O-CB 3.45Å; D147-I151 WeakPolarHBondContact O-CD1 3.41Å; D147-I151 WeakPolarHBondContact O-CG1 3.27Å; D147-I151 PolarHBondContact O-N 3.47Å; L148-I151 WeakPolarHBondContact O-CB 3.42Å; L148-I151 PolarHBondContact O-N 3.34Å; M149-I151 VanDerWaalsContact C-N 3.32Å; I151-W153 PolarHBondContact O-N 3.38Å; I151-L154 PolarHBondContact O-N 3.22Å; I151-V155 WeakPolarHBondContact O-CB 3.34Å; I151-V155 WeakPolarHBondContact O-CG2 3.25Å; I151-V155 PolarHBondContact O-N 3.46Å; I151-V155 VanDerWaalsContact O-N 3.15Å |
| 152 | Q | 39.3 | Very low | 40.8 | Very low | 83 Ų | 83 | 70.5 Ų | 70.5 | 39% | 0.388 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59 | -31.4 | 173.7 | -74.5 | 170.2 | -7.7 | 0 | 0 | 112.1 | L148 M149 | L148-Q152 WeakPolarHBondContact O-CB 3.24Å; L148-Q152 VanDerWaalsContact O-CG 3.22Å; L148-Q152 WeakPolarHBondContact O-CG 3.39Å; L148-Q152 PolarHBondContact O-N 3.4Å; M149-Q152 PolarHBondContact O-N 3Å |
| 153 | W | 41.1 | Very low | 40.7 | Very low | 58 Ų | 58 | 71.2 Ų | 71.2 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -84 | -37.1 | -179.2 | -177.8 | 69.3 | 0 | 0 | 0 | 113.5 | M149 T150 I151 V155 G156 P258 R261 | M149-W153 WeakPolarHBondContact O-CB 3.3Å; M149-W153 PolarHBondContact O-N 3.45Å; T150-W153 CarbonylContact O-C 3.55Å; T150-W153 PolarHBondContact O-N 2.97Å; I151-W153 PolarHBondContact O-N 3.38Å; W153-V155 PolarHBondContact O-N 3Å; W153-G156 PolarHBondContact O-N 3.09Å; W153-P258 HydrophobicContact CE3-CB 4.39Å; W153-P258 VanDerWaalsContact CH2-CA 3.42Å; W153-P258 HydrophobicContact CH2-CB 3.57Å; W153-P258 HydrophobicContact CH2-CG 3.73Å; W153-P258 HydrophobicContact CZ3-CB 3.36Å; W153-P258 HydrophobicContact CZ3-CG 4.04Å; W153-R261 HydrophobicContact CH2-CB 4.47Å; W153-R261 VanDerWaalsContact CH2-CZ 3.4Å; W153-R261 HydrophobicContact CZ3-CB 4.44Å |
| 154 | L | 36.4 | Very low | 40.5 | Very low | 85 Ų | 85 | 77.9 Ų | 77.9 | 45% | 0.445 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.9 | -23.3 | 170.9 | -76.4 | 168.9 | 0 | 0 | 0 | 111.8 | T150 I151 G156 P258 | T150-L154 HydrophobicContact CG2-CD1 3.89Å; T150-L154 HydrophobicContact CG2-CG 4.28Å; T150-L154 WeakPolarHBondContact O-CB 3.37Å; T150-L154 VanDerWaalsContact O-CG 3.27Å; T150-L154 WeakPolarHBondContact O-CG 3.34Å; T150-L154 PolarHBondContact O-N 3.02Å; I151-L154 PolarHBondContact O-N 3.22Å; L154-G156 VanDerWaalsContact C-N 3.28Å; L154-P258 HydrophobicContact CD2-CB 3.48Å; L154-P258 VanDerWaalsContact CD2-CB 3.48Å; L154-P258 HydrophobicContact CD2-CG 4.37Å |
| 155 | V | 37 | Very low | 40.4 | Very low | 49 Ų | 49 | 78.8 Ų | 78.8 | 30% | 0.297 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -11 | 171.8 | 165.8 | 0 | 0 | 0 | 0 | 112.4 | W78 I151 W153 | W78-V155 HydrophobicContact CB-CG1 4.23Å; W78-V155 HydrophobicContact CE3-CB 4.36Å; W78-V155 HydrophobicContact CE3-CG1 4.01Å; I151-V155 WeakPolarHBondContact O-CB 3.34Å; I151-V155 WeakPolarHBondContact O-CG2 3.25Å; I151-V155 PolarHBondContact O-N 3.46Å; I151-V155 VanDerWaalsContact O-N 3.15Å; W153-V155 PolarHBondContact O-N 3Å |
| 156 | G | 40.7 | Very low | 40.2 | Very low | 45 Ų | 45 | 79.4 Ų | 79.4 | 46% | 0.464 | 41% | 0.412 | S | S | . | . | trans | -114.1 | 73.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | W153 L154 | W153-G156 PolarHBondContact O-N 3.09Å; L154-G156 VanDerWaalsContact C-N 3.28Å | ||
| 157 | S | 34.2 | Very low | 40.5 | Very low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 43% | 0.43 | S | S | . | . | trans | -74.8 | 153.9 | 168.7 | -43.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 158 | D | 41.6 | Very low | 40.7 | Very low | 78 Ų | 78 | 83.2 Ų | 83.2 | 42% | 0.417 | 44% | 0.437 | S | S | . | . | trans | -71.1 | -176.2 | -177.3 | 88.6 | -11.4 | 0 | 0 | 0 | 113.5 | N160 S161 Q162 | D158-N160 PolarHBondContact O-N 2.85Å; D158-N160 PolarHBondContact OD1-N 3.37Å; D158-S161 PolarHBondContact O-N 3.24Å; D158-S161 PolarHBondContact OD1-N 2.92Å; D158-Q162 PolarHBondContact OD1-N 3.35Å; D158-Q162 VanDerWaalsContact OD1-O 3.05Å; D158-Q162 VanDerWaalsContact OD2-O 3.06Å | ||
| 159 | K | 42 | Very low | 41.1 | Very low | 210 Ų | 210 | 87.8 Ų | 87.8 | 91% | 0.913 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -16.9 | -176.1 | -72.6 | -172.8 | 176.5 | -176.3 | 0 | 115 | ||
| 160 | N | 41.3 | Very low | 41.7 | Very low | 134 Ų | 134 | 86.1 Ų | 86.1 | 72% | 0.717 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | 21.5 | 174.2 | -69.8 | -19.6 | 0 | 0 | 0 | 112.4 | D158 Q162 | D158-N160 PolarHBondContact O-N 2.85Å; D158-N160 PolarHBondContact OD1-N 3.37Å; N160-Q162 PolarHBondContact O-N 2.8Å; N160-Q162 VanDerWaalsContact O-N 3.12Å |
| 161 | S | 39.9 | Very low | 42.5 | Very low | 91 Ų | 91 | 92.2 Ų | 92.2 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 56.7 | 22.9 | -177.5 | -52.6 | 0 | 0 | 0 | 0 | 114.5 | D158 | D158-S161 PolarHBondContact O-N 3.24Å; D158-S161 PolarHBondContact OD1-N 2.92Å |
| 162 | Q | 34.2 | Very low | 43.9 | Very low | 88 Ų | 88 | 94.8 Ų | 94.8 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | trans | -112.4 | 119.8 | 178.4 | -72.6 | -173.2 | 0.2 | 0 | 0 | 109.7 | D158 N160 R164 I166 | D158-Q162 PolarHBondContact OD1-N 3.35Å; D158-Q162 VanDerWaalsContact OD1-O 3.05Å; D158-Q162 VanDerWaalsContact OD2-O 3.06Å; N160-Q162 PolarHBondContact O-N 2.8Å; N160-Q162 VanDerWaalsContact O-N 3.12Å; Q162-R164 PolarHBondContact O-N 3.46Å; Q162-I166 HydrophobicContact CB-CD1 4.46Å; Q162-I166 HydrophobicContact CG-CD1 4.3Å | ||
| 163 | S | 40 | Very low | 45.2 | Very low | 38 Ų | 38 | 92.8 Ų | 92.8 | 27% | 0.266 | 48% | 0.476 | S | S | . | . | trans | -53.1 | 133.3 | 160.4 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | Y165 I166 | S163-Y165 PolarHBondContact O-N 3.37Å; S163-Y165 WeakPolarHBondContact OG-CB 3.33Å; S163-Y165 PolarHBondContact OG-N 2.87Å; S163-I166 PolarHBondContact O-N 2.77Å | ||
| 164 | R | 39.8 | Very low | 46.8 | Very low | 183 Ų | 183 | 92.5 Ų | 92.5 | 69% | 0.691 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -53.8 | -15.8 | 170 | -73.6 | -170.6 | -159 | 174.7 | 4.3 | 112.8 | Q162 I166 T167 D168 | Q162-R164 PolarHBondContact O-N 3.46Å; R164-I166 PolarHBondContact O-N 3.12Å; R164-T167 PolarHBondContact O-N 3.39Å; R164-D168 PolarHBondContact O-N 3.22Å; R164-D168 VanDerWaalsContact O-N 3.07Å |
| 165 | Y | 43.1 | Very low | 48.6 | Very low | 63 Ų | 63 | 92.4 Ų | 92.4 | 25% | 0.247 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -47.4 | -38.5 | 164.9 | -178.1 | -99.1 | 0 | 0 | 0 | 113.5 | S163 R169 F255 N257 | S163-Y165 PolarHBondContact O-N 3.37Å; S163-Y165 WeakPolarHBondContact OG-CB 3.33Å; S163-Y165 PolarHBondContact OG-N 2.87Å; Y165-R169 PolarHBondContact OH-NH2 3.49Å; Y165-F255 WeakPolarHBondContact CD2-O 3.45Å; Y165-N257 HydrophobicContact CD1-CB 4.32Å; Y165-N257 HydrophobicContact CD2-CB 3.84Å; Y165-N257 HydrophobicContact CE1-CB 4.22Å; Y165-N257 HydrophobicContact CE2-CB 3.72Å; Y165-N257 HydrophobicContact CG-CB 4.15Å |
| 166 | I | 43.6 | Very low | 50.5 | Low | 112 Ų | 112 | 93.8 Ų | 93.8 | 57% | 0.574 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -76.4 | -31.2 | -175.8 | -59.4 | 178.7 | 0 | 0 | 0 | 111.1 | Q162 S163 R164 | Q162-I166 HydrophobicContact CB-CD1 4.46Å; Q162-I166 HydrophobicContact CG-CD1 4.3Å; S163-I166 PolarHBondContact O-N 2.77Å; R164-I166 PolarHBondContact O-N 3.12Å |
| 167 | T | 46.3 | Very low | 52.4 | Low | 99 Ų | 99 | 95.4 Ų | 95.4 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -100.2 | -17 | -172.2 | 39.6 | 0 | 0 | 0 | 0 | 114.9 | R164 | R164-T167 PolarHBondContact O-N 3.39Å |
| 168 | D | 47.4 | Very low | 54.8 | Low | 58 Ų | 58 | 99 Ų | 99 | 31% | 0.31 | 49% | 0.485 | S | S | . | . | trans | -140.3 | 57.7 | -170.1 | -148 | 2.2 | 0 | 0 | 0 | 115 | R164 G170 Y173 | R164-D168 PolarHBondContact O-N 3.22Å; R164-D168 VanDerWaalsContact O-N 3.07Å; D168-G170 PolarHBondContact O-N 3.32Å; D168-G170 VanDerWaalsContact O-N 3.08Å; D168-G170 VanDerWaalsContact OD1-CA 3.27Å; D168-G170 WeakPolarHBondContact OD1-CA 3.28Å; D168-G170 PolarHBondContact OD1-N 3.41Å; D168-Y173 WeakPolarHBondContact O-CB 3.4Å | ||
| 169 | R | 51.9 | Low | 56.7 | Low | 172 Ų | 172 | 96.9 Ų | 96.9 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | trans | -70 | 23.3 | 147.9 | -66.3 | -159.4 | -168.3 | -170.6 | 4.3 | 111.9 | Y165 | Y165-R169 PolarHBondContact OH-NH2 3.49Š| ||
| 170 | G | 57.2 | Low | 58.6 | Low | 30 Ų | 30 | 87.6 Ų | 87.6 | 31% | 0.309 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -77.3 | -158.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D168 D172 Y173 C174 | D168-G170 PolarHBondContact O-N 3.32Å; D168-G170 VanDerWaalsContact O-N 3.08Å; D168-G170 VanDerWaalsContact OD1-CA 3.27Å; D168-G170 WeakPolarHBondContact OD1-CA 3.28Å; D168-G170 PolarHBondContact OD1-N 3.41Å; G170-D172 VanDerWaalsContact C-N 3.29Å; G170-D172 PolarHBondContact O-N 2.86Å; G170-Y173 PolarHBondContact O-N 2.82Å; G170-C174 PolarHBondContact O-N 3.31Å |
| 171 | F | 57.3 | Low | 60.7 | Low | 154 Ų | 154 | 85.7 Ų | 85.7 | 68% | 0.675 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59 | -37.5 | -172.6 | -176.4 | -107.6 | 0 | 0 | 0 | 113.1 | C174 L175 | F171-C174 PolarHBondContact O-N 3.47Å; F171-L175 HydrophobicContact CD1-CD1 3.65Å; F171-L175 HydrophobicContact CD1-CG 4.21Å; F171-L175 HydrophobicContact CE1-CD1 3.19Å; F171-L175 HydrophobicContact CE1-CG 3.94Å; F171-L175 HydrophobicContact CE2-CD1 4.43Å; F171-L175 HydrophobicContact CE2-CD2 4.49Å; F171-L175 HydrophobicContact CE2-CG 4.35Å; F171-L175 HydrophobicContact CG-CD1 4.45Å; F171-L175 HydrophobicContact CZ-CD1 3.64Å; F171-L175 HydrophobicContact CZ-CD2 4.16Å; F171-L175 HydrophobicContact CZ-CG 4Å; F171-L175 WeakPolarHBondContact O-CG 3.43Å; F171-L175 PolarHBondContact O-N 3Å |
| 172 | D | 67.7 | Low | 63 | Low | 85 Ų | 85 | 85 Ų | 85 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | -177 | -78.9 | -3.9 | 0 | 0 | 0 | 112.6 | G170 L175 K176 F255 | G170-D172 VanDerWaalsContact C-N 3.29Å; G170-D172 PolarHBondContact O-N 2.86Å; D172-L175 PolarHBondContact O-N 3.35Å; D172-K176 VanDerWaalsContact O-CG 3.28Å; D172-K176 WeakPolarHBondContact O-CG 3.34Å; D172-K176 PolarHBondContact O-N 2.87Å; D172-F255 HydrophobicContact CB-CE1 4.28Å; D172-F255 HydrophobicContact CB-CZ 4.39Å |
| 173 | Y | 67.5 | Low | 65.1 | Low | 40 Ų | 40 | 81.1 Ų | 81.1 | 16% | 0.157 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -57.8 | -53.4 | 172.8 | 168.1 | -89.3 | 0 | 0 | 0 | 110.8 | D168 G170 L175 K176 E177 Y252 F255 | D168-Y173 WeakPolarHBondContact O-CB 3.4Å; G170-Y173 PolarHBondContact O-N 2.82Å; Y173-L175 VanDerWaalsContact C-N 3.27Å; Y173-L175 PolarHBondContact O-N 2.89Å; Y173-K176 PolarHBondContact O-N 3.08Å; Y173-E177 HydrophobicContact CE1-CB 4.36Å; Y173-E177 WeakPolarHBondContact CE1-OE2 3.31Å; Y173-E177 WeakPolarHBondContact O-CB 3.41Å; Y173-E177 PolarHBondContact O-N 3.26Å; Y173-E177 PolarHBondContact OH-OE1 2.89Å; Y173-Y252 AromaticContact CD2-CE2 3.94Å; Y173-Y252 HydrophobicContact CD2-CE2 3.94Å; Y173-Y252 AromaticContact CE2-CE2 3.57Å; Y173-Y252 HydrophobicContact CE2-CE2 3.57Å; Y173-Y252 AromaticContact CE2-CZ 3.83Å; Y173-Y252 VanDerWaalsContact CE2-OH 3.32Å; Y173-Y252 WeakPolarHBondContact CE2-OH 3.27Å; Y173-Y252 VanDerWaalsContact CZ-OH 3.3Å; Y173-Y252 PolarHBondContact OH-OH 3.08Å; Y173-F255 HydrophobicContact CD2-CB 3.77Å |
| 174 | C | 73 | Confident | 67.1 | Low | 52 Ų | 52 | 81.3 Ų | 81.3 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | -177.9 | -73.9 | 0 | 0 | 0 | 0 | 112.1 | G170 F171 K178 | G170-C174 PolarHBondContact O-N 3.31Å; F171-C174 PolarHBondContact O-N 3.47Å; C174-K178 WeakPolarHBondContact O-CB 3.36Å; C174-K178 VanDerWaalsContact O-CG 3.26Å; C174-K178 WeakPolarHBondContact O-CG 3.49Å; C174-K178 PolarHBondContact O-N 3.34Å; C174-K178 VanDerWaalsContact O-N 3.08Å |
| 175 | L | 75 | Confident | 69.3 | Low | 83 Ų | 83 | 76 Ų | 76 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 175.2 | -78.4 | -176.7 | 0 | 0 | 0 | 112.3 | F171 D172 Y173 A179 | F171-L175 HydrophobicContact CD1-CD1 3.65Å; F171-L175 HydrophobicContact CD1-CG 4.21Å; F171-L175 HydrophobicContact CE1-CD1 3.19Å; F171-L175 HydrophobicContact CE1-CG 3.94Å; F171-L175 HydrophobicContact CE2-CD1 4.43Å; F171-L175 HydrophobicContact CE2-CD2 4.49Å; F171-L175 HydrophobicContact CE2-CG 4.35Å; F171-L175 HydrophobicContact CG-CD1 4.45Å; F171-L175 HydrophobicContact CZ-CD1 3.64Å; F171-L175 HydrophobicContact CZ-CD2 4.16Å; F171-L175 HydrophobicContact CZ-CG 4Å; F171-L175 WeakPolarHBondContact O-CG 3.43Å; F171-L175 PolarHBondContact O-N 3Å; D172-L175 PolarHBondContact O-N 3.35Å; Y173-L175 VanDerWaalsContact C-N 3.27Å; Y173-L175 PolarHBondContact O-N 2.89Å; L175-A179 VanDerWaalsContact O-CB 3.3Å; L175-A179 WeakPolarHBondContact O-CB 3.46Å; L175-A179 PolarHBondContact O-N 3.22Å |
| 176 | K | 76.1 | Confident | 71.2 | Confident | 79 Ų | 79 | 75.2 Ų | 75.2 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.4 | -37.2 | -179.2 | -66.2 | -62.7 | 179.9 | -170.7 | 0 | 112.7 | D172 Y173 A179 L180 N251 Y252 F255 | D172-K176 VanDerWaalsContact O-CG 3.28Å; D172-K176 WeakPolarHBondContact O-CG 3.34Å; D172-K176 PolarHBondContact O-N 2.87Å; Y173-K176 PolarHBondContact O-N 3.08Å; K176-A179 PolarHBondContact O-N 3.34Å; K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.11Å; K176-N251 HydrophobicContact CD-CB 4.4Å; K176-Y252 HydrophobicContact CB-CD2 4.02Å; K176-F255 HydrophobicContact CB-CD2 4.43Å; K176-F255 HydrophobicContact CB-CE2 4.28Å; K176-F255 HydrophobicContact CG-CD2 4.41Å; K176-F255 HydrophobicContact CG-CE2 3.78Å; K176-F255 HydrophobicContact CG-CZ 4.34Å |
| 177 | E | 81.1 | Confident | 73.1 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 171.6 | -172.3 | 177.9 | -131.4 | 0 | 0 | 110.8 | Y173 A179 L180 Q181 Y252 | Y173-E177 HydrophobicContact CE1-CB 4.36Å; Y173-E177 WeakPolarHBondContact CE1-OE2 3.31Å; Y173-E177 WeakPolarHBondContact O-CB 3.41Å; Y173-E177 PolarHBondContact O-N 3.26Å; Y173-E177 PolarHBondContact OH-OE1 2.89Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.88Å; E177-L180 WeakPolarHBondContact O-CB 3.47Å; E177-L180 PolarHBondContact O-N 3.09Å; E177-Q181 PolarHBondContact O-N 3.45Å; E177-Y252 HydrophobicContact CB-CD2 4.32Å; E177-Y252 HydrophobicContact CB-CE2 3.64Å; E177-Y252 HydrophobicContact CG-CE2 4.16Å; E177-Y252 PolarHBondContact OE1-OH 3.47Å |
| 178 | K | 84.1 | Confident | 74.8 | Confident | 150 Ų | 150 | 71.7 Ų | 71.7 | 65% | 0.652 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.6 | -39.2 | 175.7 | -75.6 | 178.4 | 179.9 | -178.4 | 0 | 112.8 | C174 C182 | C174-K178 WeakPolarHBondContact O-CB 3.36Å; C174-K178 VanDerWaalsContact O-CG 3.26Å; C174-K178 WeakPolarHBondContact O-CG 3.49Å; C174-K178 PolarHBondContact O-N 3.34Å; C174-K178 VanDerWaalsContact O-N 3.08Å; K178-C182 VanDerWaalsContact O-CB 3.27Å; K178-C182 WeakPolarHBondContact O-CB 3.31Å; K178-C182 PolarHBondContact O-N 3.4Å |
| 179 | A | 82.4 | Confident | 76.4 | Confident | 34 Ų | 34 | 74.6 Ų | 74.6 | 28% | 0.281 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L175 K176 E177 S183 | L175-A179 VanDerWaalsContact O-CB 3.3Å; L175-A179 WeakPolarHBondContact O-CB 3.46Å; L175-A179 PolarHBondContact O-N 3.22Å; K176-A179 PolarHBondContact O-N 3.34Å; E177-A179 VanDerWaalsContact C-N 3.33Å; E177-A179 PolarHBondContact O-N 2.88Å; A179-S183 WeakPolarHBondContact O-CB 3.41Å; A179-S183 PolarHBondContact O-N 2.83Å; A179-S183 PolarHBondContact O-OG 2.89Å |
| 180 | L | 81.5 | Confident | 77.7 | Confident | 15 Ų | 15 | 68.2 Ų | 68.2 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 174.1 | 176.4 | 58.1 | 0 | 0 | 0 | 110.7 | K176 E177 C182 S183 E184 L245 N248 R249 Y252 | K176-L180 WeakPolarHBondContact O-CB 3.43Å; K176-L180 PolarHBondContact O-N 3.11Å; E177-L180 WeakPolarHBondContact O-CB 3.47Å; E177-L180 PolarHBondContact O-N 3.09Å; L180-C182 VanDerWaalsContact C-N 3.32Å; L180-C182 PolarHBondContact O-N 3.05Å; L180-S183 WeakPolarHBondContact CA-OG 3.34Å; L180-S183 WeakPolarHBondContact O-CA 3.49Å; L180-S183 PolarHBondContact O-N 3.01Å; L180-S183 PolarHBondContact O-OG 3.29Å; L180-E184 HydrophobicContact CD1-CG 4.29Å; L180-E184 PolarHBondContact O-N 2.96Å; L180-L245 HydrophobicContact CD1-CD1 3.6Å; L180-N248 HydrophobicContact CD1-CB 4.46Å; L180-R249 HydrophobicContact CD1-CB 3.91Å; L180-Y252 HydrophobicContact CD2-CD1 3.32Å; L180-Y252 HydrophobicContact CD2-CE1 3.93Å; L180-Y252 HydrophobicContact CD2-CG 3.88Å |
| 181 | Q | 85.9 | Confident | 78.6 | Confident | 94 Ų | 94 | 70 Ų | 70 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 179.1 | -171.2 | 62.1 | 54.7 | 0 | 0 | 112.1 | E177 S183 E184 D185 | E177-Q181 PolarHBondContact O-N 3.45Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.36Å; Q181-E184 WeakPolarHBondContact O-CB 3.41Å; Q181-E184 PolarHBondContact O-N 3.02Å; Q181-D185 PolarHBondContact NE2-OD1 2.97Å; Q181-D185 PolarHBondContact O-N 3.39Å |
| 182 | C | 88.3 | Confident | 79.5 | Confident | 78 Ų | 78 | 65 Ų | 65 | 53% | 0.527 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59 | -42.4 | 176 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | K178 L180 D185 V186 | K178-C182 VanDerWaalsContact O-CB 3.27Å; K178-C182 WeakPolarHBondContact O-CB 3.31Å; K178-C182 PolarHBondContact O-N 3.4Å; L180-C182 VanDerWaalsContact C-N 3.32Å; L180-C182 PolarHBondContact O-N 3.05Å; C182-D185 PolarHBondContact O-N 3.01Å; C182-V186 WeakPolarHBondContact O-CB 3.2Å; C182-V186 WeakPolarHBondContact O-CG2 3.24Å; C182-V186 PolarHBondContact O-N 3.39Å |
| 183 | S | 78.3 | Confident | 80.1 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 177.7 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | A179 L180 Q181 M187 L245 N248 | A179-S183 WeakPolarHBondContact O-CB 3.41Å; A179-S183 PolarHBondContact O-N 2.83Å; A179-S183 PolarHBondContact O-OG 2.89Å; L180-S183 WeakPolarHBondContact CA-OG 3.34Å; L180-S183 WeakPolarHBondContact O-CA 3.49Å; L180-S183 PolarHBondContact O-N 3.01Å; L180-S183 PolarHBondContact O-OG 3.29Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.36Å; S183-M187 VanDerWaalsContact O-CB 3.27Å; S183-M187 WeakPolarHBondContact O-CB 3.25Å; S183-M187 PolarHBondContact O-N 2.83Å; S183-L245 WeakPolarHBondContact OG-CD1 3.47Å; S183-N248 WeakPolarHBondContact CB-ND2 3.22Å |
| 184 | E | 81.6 | Confident | 80.1 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 20% | 0.201 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.9 | -45.5 | 173.4 | -71.5 | -178.4 | 168.5 | 0 | 0 | 111.5 | L180 Q181 M187 K188 L245 R249 | L180-E184 HydrophobicContact CD1-CG 4.29Å; L180-E184 PolarHBondContact O-N 2.96Å; Q181-E184 WeakPolarHBondContact O-CB 3.41Å; Q181-E184 PolarHBondContact O-N 3.02Å; E184-M187 PolarHBondContact O-N 3.36Å; E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.14Å; E184-L245 HydrophobicContact CB-CD1 4.32Å; E184-L245 HydrophobicContact CG-CD1 3.37Å; E184-L245 HydrophobicContact CG-CD2 4.4Å; E184-R249 IonicContact OE1-NH2 2.89Å |
| 185 | D | 86.2 | Confident | 80.1 | Confident | 72 Ų | 72 | 64.3 Ų | 64.3 | 39% | 0.385 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -43.4 | 180 | -65.8 | -23.8 | 0 | 0 | 0 | 111.5 | Q181 C182 M187 K188 I189 | Q181-D185 PolarHBondContact NE2-OD1 2.97Å; Q181-D185 PolarHBondContact O-N 3.39Å; C182-D185 PolarHBondContact O-N 3.01Å; D185-M187 PolarHBondContact O-N 3.43Å; D185-K188 PolarHBondContact O-N 2.98Å; D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 3.02Å; D185-I189 VanDerWaalsContact O-N 3.17Å |
| 186 | V | 82.5 | Confident | 80.1 | Confident | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | C182 K188 I189 H190 K241 | C182-V186 WeakPolarHBondContact O-CB 3.2Å; C182-V186 WeakPolarHBondContact O-CG2 3.24Å; C182-V186 PolarHBondContact O-N 3.39Å; V186-K188 PolarHBondContact O-N 3.36Å; V186-I189 PolarHBondContact O-N 3.1Å; V186-H190 PolarHBondContact O-CD2 3.19Å; V186-H190 PolarHBondContact O-N 3.33Å; V186-H190 VanDerWaalsContact O-N 3.14Å; V186-K241 HydrophobicContact CG1-CD 3.85Å; V186-K241 HydrophobicContact CG1-CG 4.07Å |
| 187 | M | 83.4 | Confident | 79.8 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -46 | 177.5 | -179.5 | -78.4 | -71.5 | 0 | 0 | 111.1 | S183 E184 D185 I189 H190 R191 L238 V242 L245 | S183-M187 VanDerWaalsContact O-CB 3.27Å; S183-M187 WeakPolarHBondContact O-CB 3.25Å; S183-M187 PolarHBondContact O-N 2.83Å; E184-M187 PolarHBondContact O-N 3.36Å; D185-M187 PolarHBondContact O-N 3.43Å; M187-I189 VanDerWaalsContact C-N 3.32Å; M187-I189 PolarHBondContact O-N 3.17Å; M187-H190 PolarHBondContact O-N 2.74Å; M187-R191 WeakPolarHBondContact O-CB 3.28Å; M187-R191 PolarHBondContact O-N 3.43Å; M187-R191 HydrophobicContact SD-CB 4.27Å; M187-L238 HydrophobicContact CG-CD1 4.48Å; M187-V242 HydrophobicContact CG-CG2 3.91Å; M187-L245 HydrophobicContact CB-CD2 4.13Å; M187-L245 HydrophobicContact CE-CD2 3.67Å; M187-L245 HydrophobicContact CG-CD2 4.02Å |
| 188 | K | 82.1 | Confident | 79.2 | Confident | 116 Ų | 116 | 59 Ų | 59 | 50% | 0.504 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -56.6 | -43 | 177.2 | -73.2 | 169.8 | -173.6 | 165.3 | 0 | 112.5 | E184 D185 V186 R191 A192 | E184-K188 WeakPolarHBondContact O-CG 3.45Å; E184-K188 PolarHBondContact O-N 3.14Å; D185-K188 PolarHBondContact O-N 2.98Å; V186-K188 PolarHBondContact O-N 3.36Å; K188-R191 PolarHBondContact O-N 3.42Å; K188-A192 WeakPolarHBondContact O-CB 3.15Å; K188-A192 PolarHBondContact O-N 3.36Å |
| 189 | I | 80.7 | Confident | 78.5 | Confident | 119 Ų | 119 | 57.2 Ų | 57.2 | 61% | 0.61 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -61.4 | -47.9 | 177.2 | -66.8 | 165.9 | 0 | 0 | 0 | 111 | D185 V186 M187 R191 A192 K193 | D185-I189 WeakPolarHBondContact O-CG1 3.43Å; D185-I189 PolarHBondContact O-N 3.02Å; D185-I189 VanDerWaalsContact O-N 3.17Å; V186-I189 PolarHBondContact O-N 3.1Å; M187-I189 VanDerWaalsContact C-N 3.32Å; M187-I189 PolarHBondContact O-N 3.17Å; I189-R191 VanDerWaalsContact C-N 3.35Å; I189-A192 PolarHBondContact O-N 2.86Å; I189-K193 PolarHBondContact O-N 2.79Å |
| 190 | H | 79.3 | Confident | 78.1 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 17% | 0.171 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69 | -33.2 | -180 | -81 | -89.3 | 0 | 0 | 0 | 112.5 | V186 M187 K193 A194 E237 L238 K241 | V186-H190 PolarHBondContact O-CD2 3.19Å; V186-H190 PolarHBondContact O-N 3.33Å; V186-H190 VanDerWaalsContact O-N 3.14Å; M187-H190 PolarHBondContact O-N 2.74Å; H190-K193 PolarHBondContact O-N 3.08Å; H190-A194 WeakPolarHBondContact O-CB 3.21Å; H190-A194 PolarHBondContact O-N 2.98Å; H190-E237 IonicContact CE1-OE2 3.81Å; H190-E237 PolarHBondContact CE1-OE2 3.47Å; H190-E237 IonicContact ND1-OE2 3.82Å; H190-E237 PolarHBondContact ND1-OE2 3.27Å; H190-L238 HydrophobicContact CB-CD1 4.27Å; H190-K241 HydrophobicContact CB-CG 4.14Å; H190-K241 VanDerWaalsContact NE2-CE 3.34Å; H190-K241 WeakPolarHBondContact NE2-CE 3.49Å |
| 191 | R | 76.1 | Confident | 77.4 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 26% | 0.26 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.3 | -49.9 | 173.6 | -177.1 | 178.3 | -83.4 | -171.2 | -9.6 | 110.5 | E53 M187 K188 I189 K193 A194 E195 L238 H275 | E53-R191 IonicContact OE1-CZ 2.76Å; E53-R191 IonicContact OE1-NE 3.43Å; E53-R191 PolarHBondContact OE1-NE 3.5Å; E53-R191 VanDerWaalsContact OE1-NE 3.08Å; E53-R191 IonicContact OE1-NH2 3.41Å; E53-R191 PolarHBondContact OE1-NH2 3.48Å; E53-R191 IonicContact OE2-CZ 3.89Å; E53-R191 IonicContact OE2-NH2 3.88Å; E53-R191 PolarHBondContact OE2-NH2 3.34Å; M187-R191 WeakPolarHBondContact O-CB 3.28Å; M187-R191 PolarHBondContact O-N 3.43Å; M187-R191 HydrophobicContact SD-CB 4.27Å; K188-R191 PolarHBondContact O-N 3.42Å; I189-R191 VanDerWaalsContact C-N 3.35Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 3.46Å; R191-A194 PolarHBondContact O-N 3.05Å; R191-A194 VanDerWaalsContact O-N 3.11Å; R191-E195 WeakPolarHBondContact O-CG 3.22Å; R191-E195 PolarHBondContact O-N 2.95Å; R191-L238 HydrophobicContact CB-CD1 3.94Å; R191-H275 PolarHBondContact NH2-NE2 3.2Å |
| 192 | A | 76.3 | Confident | 76.2 | Confident | 48 Ų | 48 | 52.9 Ų | 52.9 | 40% | 0.397 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K188 I189 E195 V196 | K188-A192 WeakPolarHBondContact O-CB 3.15Å; K188-A192 PolarHBondContact O-N 3.36Å; I189-A192 PolarHBondContact O-N 2.86Å; A192-E195 PolarHBondContact O-N 2.73Å; A192-V196 WeakPolarHBondContact O-CG2 3.43Å; A192-V196 PolarHBondContact O-N 2.87Å |
| 193 | K | 80.3 | Confident | 75.4 | Confident | 87 Ų | 87 | 57.8 Ų | 57.8 | 38% | 0.378 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 174.2 | -178.6 | -176.6 | 172.3 | -168.9 | 0 | 111.9 | I189 H190 R191 V196 N197 E237 | I189-K193 PolarHBondContact O-N 2.79Å; H190-K193 PolarHBondContact O-N 3.08Å; R191-K193 VanDerWaalsContact C-N 3.3Å; R191-K193 PolarHBondContact O-N 3.46Å; K193-V196 PolarHBondContact O-N 3.14Å; K193-N197 WeakPolarHBondContact O-CB 3.42Å; K193-N197 PolarHBondContact O-N 3.28Å; K193-N197 PolarHBondContact O-ND2 3.29Å; K193-E237 IonicContact NZ-OE1 3.06Å; K193-E237 PolarHBondContact NZ-OE1 2.95Å; K193-E237 IonicContact NZ-OE2 3.08Å; K193-E237 PolarHBondContact NZ-OE2 3.28Å |
| 194 | A | 68.9 | Low | 75.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H190 R191 N197 C198 L238 | H190-A194 WeakPolarHBondContact O-CB 3.21Å; H190-A194 PolarHBondContact O-N 2.98Å; R191-A194 PolarHBondContact O-N 3.05Å; R191-A194 VanDerWaalsContact O-N 3.11Å; A194-N197 PolarHBondContact O-N 2.87Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.44Å; A194-C198 PolarHBondContact O-N 3.06Å; A194-L238 HydrophobicContact CB-CD2 3.89Å |
| 195 | E | 71.7 | Confident | 74.7 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 35% | 0.35 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 175.3 | -72.4 | -178 | 155.5 | 0 | 0 | 112.4 | I49 R191 A192 N197 C198 I199 | I49-E195 HydrophobicContact CD1-CG 4.29Å; R191-E195 WeakPolarHBondContact O-CG 3.22Å; R191-E195 PolarHBondContact O-N 2.95Å; A192-E195 PolarHBondContact O-N 2.73Å; E195-N197 VanDerWaalsContact C-N 3.31Å; E195-N197 PolarHBondContact O-N 2.99Å; E195-C198 WeakPolarHBondContact O-CB 3.26Å; E195-C198 PolarHBondContact O-N 2.86Å; E195-I199 WeakPolarHBondContact O-CG1 3.41Å; E195-I199 PolarHBondContact O-N 2.61Å |
| 196 | V | 74.6 | Confident | 73.9 | Confident | 85 Ų | 85 | 59.1 Ų | 59.1 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.2 | -42.6 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | A192 K193 I199 S200 | A192-V196 WeakPolarHBondContact O-CG2 3.43Å; A192-V196 PolarHBondContact O-N 2.87Å; K193-V196 PolarHBondContact O-N 3.14Å; V196-I199 PolarHBondContact O-N 2.85Å; V196-S200 WeakPolarHBondContact O-CB 3.48Å; V196-S200 PolarHBondContact O-N 3.09Å; V196-S200 PolarHBondContact O-OG 3.11Å |
| 197 | N | 71 | Confident | 73.8 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 19% | 0.187 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 178.5 | -72.5 | -20.2 | 0 | 0 | 0 | 112.4 | K193 A194 E195 S200 T201 F231 S234 | K193-N197 WeakPolarHBondContact O-CB 3.42Å; K193-N197 PolarHBondContact O-N 3.28Å; K193-N197 PolarHBondContact O-ND2 3.29Å; A194-N197 PolarHBondContact O-N 2.87Å; E195-N197 VanDerWaalsContact C-N 3.31Å; E195-N197 PolarHBondContact O-N 2.99Å; N197-S200 PolarHBondContact O-N 3.45Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.29Å; N197-T201 PolarHBondContact O-OG1 3.35Å; N197-F231 HydrophobicContact CB-CB 4.11Å; N197-F231 HydrophobicContact CB-CD2 4.14Å; N197-S234 PolarHBondContact ND2-OG 2.91Å |
| 198 | C | 69.1 | Low | 73.3 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.061 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -50 | 171.5 | 164.4 | 0 | 0 | 0 | 0 | 111.7 | F45 I49 A194 E195 S200 T201 T202 F231 | F45-C198 WeakPolarHBondContact CB-SG 3.39Å; I49-C198 HydrophobicContact CD1-CB 4.16Å; A194-C198 VanDerWaalsContact O-CB 3.25Å; A194-C198 WeakPolarHBondContact O-CB 3.44Å; A194-C198 PolarHBondContact O-N 3.06Å; E195-C198 WeakPolarHBondContact O-CB 3.26Å; E195-C198 PolarHBondContact O-N 2.86Å; C198-S200 VanDerWaalsContact C-N 3.31Å; C198-S200 PolarHBondContact O-N 3.18Å; C198-T201 PolarHBondContact O-N 2.94Å; C198-T202 WeakPolarHBondContact O-CB 3.44Å; C198-T202 PolarHBondContact O-N 2.95Å; C198-T202 PolarHBondContact O-OG1 3.35Å; C198-F231 HydrophobicContact CB-CD2 3.97Å; C198-F231 HydrophobicContact CB-CE2 3.55Å; C198-F231 HydrophobicContact CB-CZ 4.16Å |
| 199 | I | 68.3 | Low | 73 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.9 | -43.8 | 178.2 | -67.2 | 166.7 | 0 | 0 | 0 | 110.3 | E195 V196 T202 R203 | E195-I199 WeakPolarHBondContact O-CG1 3.41Å; E195-I199 PolarHBondContact O-N 2.61Å; V196-I199 PolarHBondContact O-N 2.85Å; I199-T202 PolarHBondContact O-N 3.21Å; I199-R203 WeakPolarHBondContact O-CB 3.43Å; I199-R203 PolarHBondContact O-N 2.97Å |
| 200 | S | 73.9 | Confident | 72.9 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 34% | 0.336 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.9 | -44.5 | 177.9 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | V196 N197 C198 R203 E204 | V196-S200 WeakPolarHBondContact O-CB 3.48Å; V196-S200 PolarHBondContact O-N 3.09Å; V196-S200 PolarHBondContact O-OG 3.11Å; N197-S200 PolarHBondContact O-N 3.45Å; C198-S200 VanDerWaalsContact C-N 3.31Å; C198-S200 PolarHBondContact O-N 3.18Å; S200-R203 PolarHBondContact O-N 3.49Å; S200-E204 WeakPolarHBondContact O-CB 3.43Å; S200-E204 PolarHBondContact O-N 3.46Å |
| 201 | T | 66.6 | Low | 73.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.8 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | F45 N197 C198 E204 Y205 F224 N228 F231 | F45-T201 HydrophobicContact CE1-CG2 3.98Å; F45-T201 HydrophobicContact CZ-CG2 4.04Å; N197-T201 WeakPolarHBondContact O-CB 3.42Å; N197-T201 PolarHBondContact O-N 3.29Å; N197-T201 PolarHBondContact O-OG1 3.35Å; C198-T201 PolarHBondContact O-N 2.94Å; T201-E204 PolarHBondContact O-N 3.36Å; T201-Y205 WeakPolarHBondContact O-CB 3.27Å; T201-Y205 PolarHBondContact O-N 3.17Å; T201-F224 HydrophobicContact CG2-CD2 4.48Å; T201-F224 HydrophobicContact CG2-CE2 3.72Å; T201-F224 HydrophobicContact CG2-CZ 4.38Å; T201-N228 HydrophobicContact CG2-CB 4.08Å; T201-F231 VanDerWaalsContact OG1-CB 3.29Å; T201-F231 WeakPolarHBondContact OG1-CB 3.28Å |
| 202 | T | 60.4 | Low | 73.6 | Confident | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 177.3 | -63.5 | 0 | 0 | 0 | 0 | 111.5 | L38 I41 C198 I199 E204 Y205 L206 | L38-T202 HydrophobicContact CD2-CG2 3.97Å; I41-T202 HydrophobicContact CB-CG2 4.05Å; I41-T202 HydrophobicContact CG2-CG2 3.51Å; C198-T202 WeakPolarHBondContact O-CB 3.44Å; C198-T202 PolarHBondContact O-N 2.95Å; C198-T202 PolarHBondContact O-OG1 3.35Å; I199-T202 PolarHBondContact O-N 3.21Å; T202-E204 VanDerWaalsContact C-N 3.33Å; T202-E204 PolarHBondContact O-N 3.24Å; T202-Y205 PolarHBondContact O-N 3.32Å; T202-L206 HydrophobicContact CG2-CD1 4.36Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.41Å |
| 203 | R | 71.4 | Confident | 74.1 | Confident | 181 Ų | 181 | 67.1 Ų | 67.1 | 68% | 0.683 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -58.8 | -47.2 | 175.7 | 173.6 | -179.5 | -89.2 | 170.2 | -6.3 | 110.9 | I199 S200 Y205 L206 E207 | I199-R203 WeakPolarHBondContact O-CB 3.43Å; I199-R203 PolarHBondContact O-N 2.97Å; S200-R203 PolarHBondContact O-N 3.49Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.49Å; R203-L206 PolarHBondContact O-N 3.38Å; R203-E207 PolarHBondContact O-N 2.89Å |
| 204 | E | 74.5 | Confident | 74.5 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | -178.9 | -167.3 | 66.1 | -151.8 | 0 | 0 | 112.2 | S200 T201 T202 L206 E207 L208 Q220 Q223 F224 I227 | S200-E204 WeakPolarHBondContact O-CB 3.43Å; S200-E204 PolarHBondContact O-N 3.46Å; T201-E204 PolarHBondContact O-N 3.36Å; T202-E204 VanDerWaalsContact C-N 3.33Å; T202-E204 PolarHBondContact O-N 3.24Å; E204-L206 VanDerWaalsContact C-N 3.35Å; E204-L206 PolarHBondContact O-N 2.98Å; E204-E207 PolarHBondContact O-N 3.49Å; E204-L208 PolarHBondContact O-N 3.34Å; E204-Q220 PolarHBondContact OE1-NE2 2.88Å; E204-Q223 VanDerWaalsContact CD-NE2 3.31Å; E204-Q223 HydrophobicContact CG-CG 4.41Å; E204-Q223 WeakPolarHBondContact OE1-CB 3.5Å; E204-Q223 WeakPolarHBondContact OE1-CG 3.49Å; E204-Q223 PolarHBondContact OE1-NE2 3.33Å; E204-Q223 VanDerWaalsContact OE1-NE2 3.14Å; E204-Q223 PolarHBondContact OE2-NE2 3.06Å; E204-F224 HydrophobicContact CB-CD2 4.32Å; E204-F224 HydrophobicContact CG-CB 3.92Å; E204-F224 HydrophobicContact CG-CD2 4.29Å; E204-I227 HydrophobicContact CB-CD1 4.12Å; E204-I227 HydrophobicContact CG-CD1 3.87Å |
| 205 | Y | 72.4 | Confident | 75.4 | Confident | 85 Ų | 85 | 71.6 Ų | 71.6 | 33% | 0.333 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 173 | 177.8 | -101.6 | 0 | 0 | 0 | 112.1 | I41 T201 T202 R203 L208 Q209 F224 | I41-Y205 HydrophobicContact CD1-CD1 4.13Å; I41-Y205 HydrophobicContact CD1-CE1 4.13Å; T201-Y205 WeakPolarHBondContact O-CB 3.27Å; T201-Y205 PolarHBondContact O-N 3.17Å; T202-Y205 PolarHBondContact O-N 3.32Å; R203-Y205 VanDerWaalsContact C-N 3.35Å; R203-Y205 PolarHBondContact O-N 3.49Å; Y205-L208 WeakPolarHBondContact O-CB 3.5Å; Y205-L208 PolarHBondContact O-N 3.37Å; Y205-Q209 HydrophobicContact CD1-CG 4.3Å; Y205-Q209 HydrophobicContact CE1-CG 3.85Å; Y205-Q209 HydrophobicContact CE2-CG 4.43Å; Y205-Q209 WeakPolarHBondContact O-CG 3.46Å; Y205-Q209 PolarHBondContact O-N 3.01Å; Y205-Q209 PolarHBondContact OH-NE2 3.01Å; Y205-F224 HydrophobicContact CD2-CE2 4.04Å; Y205-F224 HydrophobicContact CD2-CZ 4.13Å; Y205-F224 HydrophobicContact CG-CE2 4.34Å |
| 206 | L | 69.2 | Low | 76.1 | Confident | 48 Ų | 48 | 73 Ų | 73 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.7 | -71 | 171.3 | 0 | 0 | 0 | 111.8 | L38 I41 T202 R203 E204 Q209 R210 | L38-L206 HydrophobicContact CD2-CD1 3.54Å; L38-L206 HydrophobicContact CG-CD1 3.75Å; I41-L206 HydrophobicContact CD1-CD2 3.78Å; I41-L206 HydrophobicContact CD1-CG 4.4Å; T202-L206 HydrophobicContact CG2-CD1 4.36Å; T202-L206 WeakPolarHBondContact O-CG 3.42Å; T202-L206 PolarHBondContact O-N 3.41Å; R203-L206 PolarHBondContact O-N 3.38Å; E204-L206 VanDerWaalsContact C-N 3.35Å; E204-L206 PolarHBondContact O-N 2.98Å; L206-Q209 PolarHBondContact O-N 3.48Å; L206-R210 PolarHBondContact O-N 3.29Å |
| 207 | E | 79.1 | Confident | 76.7 | Confident | 60 Ų | 60 | 70.4 Ų | 70.4 | 28% | 0.28 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 173.4 | -72.9 | -62.7 | 150.5 | 0 | 0 | 111.5 | R203 E204 Q209 R210 V211 Q220 | R203-E207 PolarHBondContact O-N 2.89Å; E204-E207 PolarHBondContact O-N 3.49Å; E207-Q209 VanDerWaalsContact C-N 3.34Å; E207-Q209 PolarHBondContact O-N 3.02Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 2.88Å; E207-R210 IonicContact OE1-CZ 3.78Å; E207-R210 IonicContact OE1-NH1 3.29Å; E207-R210 PolarHBondContact OE1-NH1 3.1Å; E207-R210 IonicContact OE2-CZ 2.97Å; E207-R210 IonicContact OE2-NE 3.41Å; E207-R210 PolarHBondContact OE2-NE 2.99Å; E207-R210 IonicContact OE2-NH1 3.31Å; E207-R210 PolarHBondContact OE2-NH1 3.26Å; E207-R210 IonicContact OE2-NH2 2.92Å; E207-R210 PolarHBondContact OE2-NH2 3.43Å; E207-V211 WeakPolarHBondContact O-CG2 3.26Å; E207-V211 PolarHBondContact O-N 3.4Å; E207-Q220 HydrophobicContact CB-CG 4.45Å |
| 208 | L | 73.8 | Confident | 77.5 | Confident | 25 Ų | 25 | 76.5 Ų | 76.5 | 13% | 0.131 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.1 | 176.8 | 61.8 | 0 | 0 | 0 | 112.3 | E204 Y205 R210 K212 Q220 A221 F224 | E204-L208 PolarHBondContact O-N 3.34Å; Y205-L208 WeakPolarHBondContact O-CB 3.5Å; Y205-L208 PolarHBondContact O-N 3.37Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 2.95Å; L208-K212 PolarHBondContact O-N 2.87Å; L208-K212 VanDerWaalsContact O-N 3.11Å; L208-Q220 HydrophobicContact CB-CG 4.01Å; L208-Q220 HydrophobicContact CD1-CB 4Å; L208-Q220 HydrophobicContact CD1-CG 4.33Å; L208-A221 HydrophobicContact CD1-CB 4.02Å; L208-F224 HydrophobicContact CD2-CB 4.16Å; L208-F224 HydrophobicContact CD2-CD1 4.19Å; L208-F224 HydrophobicContact CD2-CG 4.15Å |
| 209 | Q | 74.5 | Confident | 78.5 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 37% | 0.374 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.7 | -34.7 | 174.2 | -66.3 | -51.8 | -47.6 | 0 | 0 | 112.2 | Y205 L206 E207 K212 | Y205-Q209 HydrophobicContact CD1-CG 4.3Å; Y205-Q209 HydrophobicContact CE1-CG 3.85Å; Y205-Q209 HydrophobicContact CE2-CG 4.43Å; Y205-Q209 WeakPolarHBondContact O-CG 3.46Å; Y205-Q209 PolarHBondContact O-N 3.01Å; Y205-Q209 PolarHBondContact OH-NE2 3.01Å; L206-Q209 PolarHBondContact O-N 3.48Å; E207-Q209 VanDerWaalsContact C-N 3.34Å; E207-Q209 PolarHBondContact O-N 3.02Å; Q209-K212 VanDerWaalsContact O-CB 3.3Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å |
| 210 | R | 79.8 | Confident | 79.5 | Confident | 179 Ų | 179 | 76.7 Ų | 76.7 | 68% | 0.675 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 179.3 | -165 | -175.7 | 79.4 | -167.9 | -2.6 | 112.8 | L206 E207 L208 K212 | L206-R210 PolarHBondContact O-N 3.29Å; E207-R210 WeakPolarHBondContact O-CB 3.49Å; E207-R210 PolarHBondContact O-N 2.88Å; E207-R210 IonicContact OE1-CZ 3.78Å; E207-R210 IonicContact OE1-NH1 3.29Å; E207-R210 PolarHBondContact OE1-NH1 3.1Å; E207-R210 IonicContact OE2-CZ 2.97Å; E207-R210 IonicContact OE2-NE 3.41Å; E207-R210 PolarHBondContact OE2-NE 2.99Å; E207-R210 IonicContact OE2-NH1 3.31Å; E207-R210 PolarHBondContact OE2-NH1 3.26Å; E207-R210 IonicContact OE2-NH2 2.92Å; E207-R210 PolarHBondContact OE2-NH2 3.43Å; L208-R210 VanDerWaalsContact C-N 3.3Å; L208-R210 PolarHBondContact O-N 2.95Å; R210-K212 VanDerWaalsContact C-N 3.34Å |
| 211 | V | 86.5 | Confident | 80.1 | Confident | 19 Ų | 19 | 75.9 Ų | 75.9 | 12% | 0.115 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 11.4 | -179.8 | -55.9 | 0 | 0 | 0 | 0 | 112.9 | E207 D213 T214 S217 Q220 | E207-V211 WeakPolarHBondContact O-CG2 3.26Å; E207-V211 PolarHBondContact O-N 3.4Å; V211-D213 PolarHBondContact O-N 3.48Å; V211-T214 WeakPolarHBondContact O-CB 3.22Å; V211-T214 WeakPolarHBondContact O-CG2 3.32Å; V211-T214 PolarHBondContact O-N 2.73Å; V211-T214 VanDerWaalsContact O-N 3.13Å; V211-T214 PolarHBondContact O-OG1 3.35Å; V211-S217 WeakPolarHBondContact O-CB 3.2Å; V211-Q220 HydrophobicContact CG2-CB 3.67Å; V211-Q220 HydrophobicContact CG2-CG 3.87Å |
| 212 | K | 83.3 | Confident | 81.3 | Confident | 113 Ų | 113 | 81.1 Ų | 81.1 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 139.5 | 177.6 | -167.4 | -178.5 | 176.3 | -177.9 | 0 | 110.1 | L208 Q209 R210 T214 | L208-K212 PolarHBondContact O-N 2.87Å; L208-K212 VanDerWaalsContact O-N 3.11Å; Q209-K212 VanDerWaalsContact O-CB 3.3Å; Q209-K212 WeakPolarHBondContact O-CB 3.46Å; R210-K212 VanDerWaalsContact C-N 3.34Å; K212-T214 PolarHBondContact O-N 3.46Å; K212-T214 VanDerWaalsContact O-N 3.12Å |
| 213 | D | 87 | Confident | 82.6 | Confident | 147 Ų | 147 | 85.1 Ų | 85.1 | 79% | 0.786 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 10.5 | -178.9 | -46.9 | -44.5 | 0 | 0 | 0 | 115.1 | V211 | V211-D213 PolarHBondContact O-N 3.48Š|
| 214 | T | 87.7 | Confident | 83.3 | Confident | 58 Ų | 58 | 77.9 Ų | 77.9 | 36% | 0.356 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -98.9 | 161.4 | 169.2 | 77.2 | 0 | 0 | 0 | 0 | 111.2 | V211 K212 N216 S217 | V211-T214 WeakPolarHBondContact O-CB 3.22Å; V211-T214 WeakPolarHBondContact O-CG2 3.32Å; V211-T214 PolarHBondContact O-N 2.73Å; V211-T214 VanDerWaalsContact O-N 3.13Å; V211-T214 PolarHBondContact O-OG1 3.35Å; K212-T214 PolarHBondContact O-N 3.46Å; K212-T214 VanDerWaalsContact O-N 3.12Å; T214-N216 PolarHBondContact O-N 3.08Å; T214-N216 PolarHBondContact OG1-N 2.87Å; T214-S217 WeakPolarHBondContact O-CB 3.44Å; T214-S217 PolarHBondContact O-N 3.35Å |
| 215 | P | 87.6 | Confident | 83.9 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 81% | 0.805 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -27 | 173.5 | -26.8 | 35.5 | 0 | 0 | 0 | 114.1 | S217 | P215-S217 VanDerWaalsContact C-N 3.29Å; P215-S217 PolarHBondContact O-N 3.33Å |
| 216 | N | 87.3 | Confident | 84.8 | Confident | 103 Ų | 103 | 84.1 Ų | 84.1 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -13.6 | 179.3 | -66.9 | -15.3 | 0 | 0 | 0 | 113.3 | T214 K218 T219 Q220 | T214-N216 PolarHBondContact O-N 3.08Å; T214-N216 PolarHBondContact OG1-N 2.87Å; N216-K218 PolarHBondContact O-N 3.41Å; N216-T219 PolarHBondContact O-N 2.74Å; N216-T219 VanDerWaalsContact O-N 3.17Å; N216-Q220 PolarHBondContact O-N 3.11Å |
| 217 | S | 86.4 | Confident | 85.4 | Confident | 32 Ų | 32 | 83.6 Ų | 83.6 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.3 | -39.1 | -178 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | V211 T214 P215 Q220 A221 | V211-S217 WeakPolarHBondContact O-CB 3.2Å; T214-S217 WeakPolarHBondContact O-CB 3.44Å; T214-S217 PolarHBondContact O-N 3.35Å; P215-S217 VanDerWaalsContact C-N 3.29Å; P215-S217 PolarHBondContact O-N 3.33Å; S217-Q220 PolarHBondContact O-N 3.43Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 3.04Å |
| 218 | K | 89.3 | Confident | 85.3 | Confident | 163 Ų | 163 | 82.7 Ų | 82.7 | 71% | 0.709 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 179.5 | -170.3 | 177.5 | -179.1 | -179.4 | 0 | 112.3 | N216 A221 I222 | N216-K218 PolarHBondContact O-N 3.41Å; K218-A221 PolarHBondContact O-N 3.47Å; K218-I222 WeakPolarHBondContact O-CG1 3.35Å; K218-I222 PolarHBondContact O-N 2.75Å |
| 219 | T | 90.2 | Very high | 85.8 | Confident | 94 Ų | 94 | 87.5 Ų | 87.5 | 58% | 0.577 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 177.1 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | N216 A221 I222 Q223 | N216-T219 PolarHBondContact O-N 2.74Å; N216-T219 VanDerWaalsContact O-N 3.17Å; T219-A221 VanDerWaalsContact C-N 3.35Å; T219-A221 PolarHBondContact O-N 3.22Å; T219-I222 PolarHBondContact O-N 2.8Å; T219-Q223 PolarHBondContact O-N 2.79Å; T219-Q223 VanDerWaalsContact O-N 3.15Å |
| 220 | Q | 88 | Confident | 86.2 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 15% | 0.15 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 178.2 | -156.5 | 74.7 | 31.6 | 0 | 0 | 112.3 | E204 E207 L208 V211 N216 S217 Q223 F224 | E204-Q220 PolarHBondContact OE1-NE2 2.88Å; E207-Q220 HydrophobicContact CB-CG 4.45Å; L208-Q220 HydrophobicContact CB-CG 4.01Å; L208-Q220 HydrophobicContact CD1-CB 4Å; L208-Q220 HydrophobicContact CD1-CG 4.33Å; V211-Q220 HydrophobicContact CG2-CB 3.67Å; V211-Q220 HydrophobicContact CG2-CG 3.87Å; N216-Q220 PolarHBondContact O-N 3.11Å; S217-Q220 PolarHBondContact O-N 3.43Å; Q220-Q223 PolarHBondContact O-N 3.09Å; Q220-F224 WeakPolarHBondContact O-CB 3.44Å; Q220-F224 PolarHBondContact O-N 3.3Å |
| 221 | A | 87.2 | Confident | 86.2 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 25% | 0.248 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L208 S217 K218 T219 Q223 F224 D225 | L208-A221 HydrophobicContact CD1-CB 4.02Å; S217-A221 WeakPolarHBondContact O-CB 3.44Å; S217-A221 PolarHBondContact O-N 3.04Å; K218-A221 PolarHBondContact O-N 3.47Å; T219-A221 VanDerWaalsContact C-N 3.35Å; T219-A221 PolarHBondContact O-N 3.22Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.33Å; A221-F224 WeakPolarHBondContact O-CB 3.17Å; A221-F224 PolarHBondContact O-N 3.22Å; A221-D225 VanDerWaalsContact O-CG 3.29Å; A221-D225 PolarHBondContact O-N 3.04Å |
| 222 | I | 90.9 | Very high | 85.7 | Confident | 110 Ų | 110 | 81.8 Ų | 81.8 | 56% | 0.564 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | 175.9 | -65.9 | 165.9 | 0 | 0 | 0 | 111.1 | K218 T219 K226 | K218-I222 WeakPolarHBondContact O-CG1 3.35Å; K218-I222 PolarHBondContact O-N 2.75Å; T219-I222 PolarHBondContact O-N 2.8Å; I222-K226 PolarHBondContact O-N 3.02Å; I222-K226 VanDerWaalsContact O-N 3.14Å |
| 223 | Q | 89.4 | Confident | 85.7 | Confident | 89 Ų | 89 | 79.3 Ų | 79.3 | 42% | 0.416 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.3 | -42.4 | 177.3 | -172.9 | 176.6 | -35.7 | 0 | 0 | 111.7 | E204 T219 Q220 A221 K226 I227 | E204-Q223 VanDerWaalsContact CD-NE2 3.31Å; E204-Q223 HydrophobicContact CG-CG 4.41Å; E204-Q223 WeakPolarHBondContact OE1-CB 3.5Å; E204-Q223 WeakPolarHBondContact OE1-CG 3.49Å; E204-Q223 PolarHBondContact OE1-NE2 3.33Å; E204-Q223 VanDerWaalsContact OE1-NE2 3.14Å; E204-Q223 PolarHBondContact OE2-NE2 3.06Å; T219-Q223 PolarHBondContact O-N 2.79Å; T219-Q223 VanDerWaalsContact O-N 3.15Å; Q220-Q223 PolarHBondContact O-N 3.09Å; A221-Q223 VanDerWaalsContact C-N 3.3Å; A221-Q223 PolarHBondContact O-N 3.33Å; Q223-K226 PolarHBondContact O-N 3.35Å; Q223-I227 HydrophobicContact CG-CD1 4.23Å; Q223-I227 WeakPolarHBondContact O-CG1 2.96Å; Q223-I227 PolarHBondContact O-N 3.41Å |
| 224 | F | 85.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 72.5 Ų | 72.5 | 13% | 0.127 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -57.1 | -50.2 | 172.4 | 173.2 | -101.7 | 0 | 0 | 0 | 111.9 | T201 E204 Y205 L208 Q220 A221 K226 I227 N228 | T201-F224 HydrophobicContact CG2-CD2 4.48Å; T201-F224 HydrophobicContact CG2-CE2 3.72Å; T201-F224 HydrophobicContact CG2-CZ 4.38Å; E204-F224 HydrophobicContact CB-CD2 4.32Å; E204-F224 HydrophobicContact CG-CB 3.92Å; E204-F224 HydrophobicContact CG-CD2 4.29Å; Y205-F224 HydrophobicContact CD2-CE2 4.04Å; Y205-F224 HydrophobicContact CD2-CZ 4.13Å; Y205-F224 HydrophobicContact CG-CE2 4.34Å; L208-F224 HydrophobicContact CD2-CB 4.16Å; L208-F224 HydrophobicContact CD2-CD1 4.19Å; L208-F224 HydrophobicContact CD2-CG 4.15Å; Q220-F224 WeakPolarHBondContact O-CB 3.44Å; Q220-F224 PolarHBondContact O-N 3.3Å; A221-F224 WeakPolarHBondContact O-CB 3.17Å; A221-F224 PolarHBondContact O-N 3.22Å; F224-K226 VanDerWaalsContact C-N 3.32Å; F224-K226 PolarHBondContact O-N 3.1Å; F224-I227 PolarHBondContact O-N 3.45Å; F224-I227 VanDerWaalsContact O-N 3.15Å; F224-N228 HydrophobicContact CE1-CB 4.33Å; F224-N228 HydrophobicContact CE2-CB 4.43Å; F224-N228 HydrophobicContact CZ-CB 4.18Å; F224-N228 VanDerWaalsContact O-CB 3.24Å; F224-N228 WeakPolarHBondContact O-CB 3.45Å; F224-N228 PolarHBondContact O-N 2.82Å |
| 225 | D | 87.6 | Confident | 84.4 | Confident | 86 Ų | 86 | 70.2 Ų | 70.2 | 46% | 0.46 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -44.9 | -179.2 | -69.8 | -23.4 | 0 | 0 | 0 | 111.1 | A221 I227 N228 E229 | A221-D225 VanDerWaalsContact O-CG 3.29Å; A221-D225 PolarHBondContact O-N 3.04Å; D225-I227 PolarHBondContact O-N 3.27Å; D225-N228 PolarHBondContact O-N 3.47Å; D225-E229 WeakPolarHBondContact O-CG 3.17Å; D225-E229 PolarHBondContact O-N 3.35Å |
| 226 | K | 91.2 | Very high | 83.9 | Confident | 145 Ų | 145 | 70.3 Ų | 70.3 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 176.6 | -174.5 | 179.9 | -179.6 | -179 | 0 | 112.9 | I222 Q223 F224 N230 | I222-K226 PolarHBondContact O-N 3.02Å; I222-K226 VanDerWaalsContact O-N 3.14Å; Q223-K226 PolarHBondContact O-N 3.35Å; F224-K226 VanDerWaalsContact C-N 3.32Å; F224-K226 PolarHBondContact O-N 3.1Å; K226-N230 PolarHBondContact O-N 3.32Å; K226-N230 PolarHBondContact O-ND2 3.23Å |
| 227 | I | 80.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 68.8 Ų | 68.8 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -72.3 | -39 | 179 | -68.7 | 177.7 | 0 | 0 | 0 | 110.6 | E204 Q223 F224 D225 N230 F231 | E204-I227 HydrophobicContact CB-CD1 4.12Å; E204-I227 HydrophobicContact CG-CD1 3.87Å; Q223-I227 HydrophobicContact CG-CD1 4.23Å; Q223-I227 WeakPolarHBondContact O-CG1 2.96Å; Q223-I227 PolarHBondContact O-N 3.41Å; F224-I227 PolarHBondContact O-N 3.45Å; F224-I227 VanDerWaalsContact O-N 3.15Å; D225-I227 PolarHBondContact O-N 3.27Å; I227-N230 WeakPolarHBondContact O-CB 3.44Å; I227-N230 PolarHBondContact O-N 2.99Å; I227-F231 PolarHBondContact O-N 3.37Å |
| 228 | N | 76.9 | Confident | 83.1 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 21% | 0.214 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 177.2 | -171.4 | 48.2 | 0 | 0 | 0 | 112 | T201 F224 D225 N230 F231 N232 | T201-N228 HydrophobicContact CG2-CB 4.08Å; F224-N228 HydrophobicContact CE1-CB 4.33Å; F224-N228 HydrophobicContact CE2-CB 4.43Å; F224-N228 HydrophobicContact CZ-CB 4.18Å; F224-N228 VanDerWaalsContact O-CB 3.24Å; F224-N228 WeakPolarHBondContact O-CB 3.45Å; F224-N228 PolarHBondContact O-N 2.82Å; D225-N228 PolarHBondContact O-N 3.47Å; N228-N230 VanDerWaalsContact C-N 3.35Å; N228-N230 PolarHBondContact O-N 3.26Å; N228-F231 PolarHBondContact O-N 3.04Å; N228-N232 WeakPolarHBondContact O-CB 3.19Å; N228-N232 PolarHBondContact O-N 3.35Å; N228-N232 PolarHBondContact O-ND2 2.68Å |
| 229 | E | 84.8 | Confident | 82.3 | Confident | 126 Ų | 126 | 62.6 Ų | 62.6 | 59% | 0.589 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 171.6 | -78.2 | 178.2 | 177.7 | 0 | 0 | 112.5 | D225 F231 N232 S233 | D225-E229 WeakPolarHBondContact O-CG 3.17Å; D225-E229 PolarHBondContact O-N 3.35Å; E229-F231 VanDerWaalsContact C-N 3.35Å; E229-N232 PolarHBondContact O-N 2.8Å; E229-S233 WeakPolarHBondContact O-CB 3.39Å; E229-S233 PolarHBondContact O-N 3.42Å; E229-S233 PolarHBondContact O-OG 3Å |
| 230 | N | 83.6 | Confident | 81.7 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 47% | 0.465 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 175.7 | -70.6 | -31.6 | 0 | 0 | 0 | 112 | K226 I227 N228 S234 | K226-N230 PolarHBondContact O-N 3.32Å; K226-N230 PolarHBondContact O-ND2 3.23Å; I227-N230 WeakPolarHBondContact O-CB 3.44Å; I227-N230 PolarHBondContact O-N 2.99Å; N228-N230 VanDerWaalsContact C-N 3.35Å; N228-N230 PolarHBondContact O-N 3.26Å; N230-S234 WeakPolarHBondContact O-CB 3.3Å; N230-S234 PolarHBondContact O-N 3.01Å; N230-S234 PolarHBondContact O-OG 3.44Å |
| 231 | F | 79.4 | Confident | 81.4 | Confident | 3 Ų | 3 | 62.8 Ų | 62.8 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -49.8 | 174.7 | 171 | -118.1 | 0 | 0 | 0 | 111.6 | F45 I49 N197 C198 T201 I227 N228 E229 S233 S234 L235 | F45-F231 HydrophobicContact CD1-CD1 4.17Å; F45-F231 AromaticContact CD1-CE1 3.43Å; F45-F231 HydrophobicContact CD1-CE1 3.43Å; F45-F231 VanDerWaalsContact CD1-CE1 3.43Å; F45-F231 AromaticContact CD1-CZ 3.77Å; F45-F231 HydrophobicContact CD1-CZ 3.77Å; F45-F231 AromaticContact CE1-CD1 3.97Å; F45-F231 HydrophobicContact CE1-CD1 3.97Å; F45-F231 AromaticContact CE1-CE1 3.6Å; F45-F231 HydrophobicContact CE1-CE1 3.6Å; F45-F231 HydrophobicContact CE1-CZ 4.39Å; I49-F231 HydrophobicContact CD1-CE2 4.35Å; I49-F231 HydrophobicContact CG1-CE2 4.16Å; I49-F231 HydrophobicContact CG1-CZ 4.26Å; N197-F231 HydrophobicContact CB-CB 4.11Å; N197-F231 HydrophobicContact CB-CD2 4.14Å; C198-F231 HydrophobicContact CB-CD2 3.97Å; C198-F231 HydrophobicContact CB-CE2 3.55Å; C198-F231 HydrophobicContact CB-CZ 4.16Å; T201-F231 VanDerWaalsContact OG1-CB 3.29Å; T201-F231 WeakPolarHBondContact OG1-CB 3.28Å; I227-F231 PolarHBondContact O-N 3.37Å; N228-F231 PolarHBondContact O-N 3.04Å; E229-F231 VanDerWaalsContact C-N 3.35Å; F231-S233 VanDerWaalsContact C-N 3.31Å; F231-S233 PolarHBondContact O-N 3.43Å; F231-S234 CarbonylContact O-C 3.6Å; F231-S234 WeakPolarHBondContact O-CA 3.37Å; F231-S234 WeakPolarHBondContact O-CB 3.28Å; F231-S234 PolarHBondContact O-N 2.97Å; F231-L235 HydrophobicContact CD1-CD1 4.23Å; F231-L235 HydrophobicContact CD2-CG 4.28Å; F231-L235 HydrophobicContact CE1-CD1 3.57Å; F231-L235 HydrophobicContact CE1-CG 4.21Å; F231-L235 HydrophobicContact CE2-CD1 4.02Å; F231-L235 HydrophobicContact CE2-CD2 3.88Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.47Å; F231-L235 VanDerWaalsContact CZ-CD1 3.47Å; F231-L235 HydrophobicContact CZ-CD2 3.91Å; F231-L235 HydrophobicContact CZ-CG 3.74Å; F231-L235 PolarHBondContact O-N 3.11Å |
| 232 | N | 76.6 | Confident | 80.6 | Confident | 69 Ų | 69 | 62 Ų | 62 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 176.9 | -72.2 | -31.9 | 0 | 0 | 0 | 112.2 | N228 E229 S234 L235 I236 | N228-N232 WeakPolarHBondContact O-CB 3.19Å; N228-N232 PolarHBondContact O-N 3.35Å; N228-N232 PolarHBondContact O-ND2 2.68Å; E229-N232 PolarHBondContact O-N 2.8Å; N232-S234 VanDerWaalsContact C-N 3.3Å; N232-S234 PolarHBondContact O-N 2.87Å; N232-L235 WeakPolarHBondContact O-CB 3.48Å; N232-L235 PolarHBondContact O-N 3.1Å; N232-I236 WeakPolarHBondContact O-CG1 3.31Å; N232-I236 PolarHBondContact O-N 3.15Å |
| 233 | S | 83.4 | Confident | 79.7 | Confident | 61 Ų | 61 | 59.3 Ų | 59.3 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 174.7 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | E229 F231 I236 E237 | E229-S233 WeakPolarHBondContact O-CB 3.39Å; E229-S233 PolarHBondContact O-N 3.42Å; E229-S233 PolarHBondContact O-OG 3Å; F231-S233 VanDerWaalsContact C-N 3.31Å; F231-S233 PolarHBondContact O-N 3.43Å; S233-I236 PolarHBondContact O-N 3.2Å; S233-E237 WeakPolarHBondContact O-CG 3.36Å; S233-E237 PolarHBondContact O-N 3.29Å |
| 234 | S | 74 | Confident | 79 | Confident | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.028 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 177.5 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | N197 N230 F231 N232 L238 | N197-S234 PolarHBondContact ND2-OG 2.91Å; N230-S234 WeakPolarHBondContact O-CB 3.3Å; N230-S234 PolarHBondContact O-N 3.01Å; N230-S234 PolarHBondContact O-OG 3.44Å; F231-S234 CarbonylContact O-C 3.6Å; F231-S234 WeakPolarHBondContact O-CA 3.37Å; F231-S234 WeakPolarHBondContact O-CB 3.28Å; F231-S234 PolarHBondContact O-N 2.97Å; N232-S234 VanDerWaalsContact C-N 3.3Å; N232-S234 PolarHBondContact O-N 2.87Å; S234-L238 VanDerWaalsContact O-CB 3.3Å; S234-L238 WeakPolarHBondContact O-CB 3.46Å; S234-L238 PolarHBondContact O-N 3.38Å |
| 235 | L | 73.1 | Confident | 78.5 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.052 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 172 | -75 | 179.5 | 0 | 0 | 0 | 111.9 | I49 F231 N232 E237 L238 K239 | I49-L235 HydrophobicContact CB-CD2 4.11Å; I49-L235 HydrophobicContact CG1-CD2 3.5Å; I49-L235 VanDerWaalsContact CG1-CD2 3.5Å; F231-L235 HydrophobicContact CD1-CD1 4.23Å; F231-L235 HydrophobicContact CD2-CG 4.28Å; F231-L235 HydrophobicContact CE1-CD1 3.57Å; F231-L235 HydrophobicContact CE1-CG 4.21Å; F231-L235 HydrophobicContact CE2-CD1 4.02Å; F231-L235 HydrophobicContact CE2-CD2 3.88Å; F231-L235 HydrophobicContact CE2-CG 3.75Å; F231-L235 HydrophobicContact CZ-CD1 3.47Å; F231-L235 VanDerWaalsContact CZ-CD1 3.47Å; F231-L235 HydrophobicContact CZ-CD2 3.91Å; F231-L235 HydrophobicContact CZ-CG 3.74Å; F231-L235 PolarHBondContact O-N 3.11Å; N232-L235 WeakPolarHBondContact O-CB 3.48Å; N232-L235 PolarHBondContact O-N 3.1Å; L235-E237 VanDerWaalsContact C-N 3.35Å; L235-L238 PolarHBondContact O-N 3.33Å; L235-K239 WeakPolarHBondContact O-CB 3.43Å; L235-K239 PolarHBondContact O-N 2.99Å |
| 236 | I | 76.8 | Confident | 77.5 | Confident | 125 Ų | 125 | 54 Ų | 54 | 64% | 0.641 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 177.4 | -67.4 | 167.3 | 0 | 0 | 0 | 110.3 | N232 S233 K239 S240 | N232-I236 WeakPolarHBondContact O-CG1 3.31Å; N232-I236 PolarHBondContact O-N 3.15Å; S233-I236 PolarHBondContact O-N 3.2Å; I236-K239 PolarHBondContact O-N 3.23Å; I236-S240 PolarHBondContact O-N 2.9Å; I236-S240 VanDerWaalsContact O-N 3.12Å |
| 237 | E | 80.1 | Confident | 76.3 | Confident | 71 Ų | 71 | 50.4 Ų | 50.4 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -49 | 175 | -74.3 | 177.3 | -170.4 | 0 | 0 | 111.7 | H190 K193 S233 L235 K239 S240 K241 | H190-E237 IonicContact CE1-OE2 3.81Å; H190-E237 PolarHBondContact CE1-OE2 3.47Å; H190-E237 IonicContact ND1-OE2 3.82Å; H190-E237 PolarHBondContact ND1-OE2 3.27Å; K193-E237 IonicContact NZ-OE1 3.06Å; K193-E237 PolarHBondContact NZ-OE1 2.95Å; K193-E237 IonicContact NZ-OE2 3.08Å; K193-E237 PolarHBondContact NZ-OE2 3.28Å; S233-E237 WeakPolarHBondContact O-CG 3.36Å; S233-E237 PolarHBondContact O-N 3.29Å; L235-E237 VanDerWaalsContact C-N 3.35Å; E237-K239 VanDerWaalsContact C-N 3.33Å; E237-K239 PolarHBondContact O-N 3.21Å; E237-S240 WeakPolarHBondContact O-CB 3.33Å; E237-S240 PolarHBondContact O-N 3.43Å; E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.1Å |
| 238 | L | 76.8 | Confident | 75.7 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 178.7 | 173.8 | 59.1 | 0 | 0 | 0 | 111.1 | I49 E53 M187 H190 R191 A194 S234 L235 S240 K241 V242 | I49-L238 HydrophobicContact CG2-CD2 3.76Å; E53-L238 HydrophobicContact CG-CD2 4.47Å; M187-L238 HydrophobicContact CG-CD1 4.48Å; H190-L238 HydrophobicContact CB-CD1 4.27Å; R191-L238 HydrophobicContact CB-CD1 3.94Å; A194-L238 HydrophobicContact CB-CD2 3.89Å; S234-L238 VanDerWaalsContact O-CB 3.3Å; S234-L238 WeakPolarHBondContact O-CB 3.46Å; S234-L238 PolarHBondContact O-N 3.38Å; L235-L238 PolarHBondContact O-N 3.33Å; L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 3.42Å; L238-K241 PolarHBondContact O-N 3.17Å; L238-V242 HydrophobicContact CD1-CG2 3.91Å; L238-V242 HydrophobicContact CG-CG2 4.3Å; L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 2.93Å |
| 239 | K | 73.1 | Confident | 75.3 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 28% | 0.278 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55 | -47.9 | 177.1 | -174.4 | 175.5 | -179.5 | 172.7 | 0 | 111.4 | A56 L235 I236 E237 K241 V242 E243 | A56-K239 HydrophobicContact CB-CG 3.8Å; L235-K239 WeakPolarHBondContact O-CB 3.43Å; L235-K239 PolarHBondContact O-N 2.99Å; I236-K239 PolarHBondContact O-N 3.23Å; E237-K239 VanDerWaalsContact C-N 3.33Å; E237-K239 PolarHBondContact O-N 3.21Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.35Å; K239-V242 PolarHBondContact O-N 3.4Å; K239-E243 WeakPolarHBondContact O-CG 3.44Å; K239-E243 PolarHBondContact O-N 3.16Å |
| 240 | S | 77.8 | Confident | 74.2 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 176.5 | 177.9 | 0 | 0 | 0 | 0 | 112.8 | I236 E237 L238 N244 | I236-S240 PolarHBondContact O-N 2.9Å; I236-S240 VanDerWaalsContact O-N 3.12Å; E237-S240 WeakPolarHBondContact O-CB 3.33Å; E237-S240 PolarHBondContact O-N 3.43Å; L238-S240 VanDerWaalsContact C-N 3.31Å; L238-S240 PolarHBondContact O-N 3.42Å; S240-N244 PolarHBondContact O-N 2.75Å; S240-N244 VanDerWaalsContact O-N 3.1Å |
| 241 | K | 80.4 | Confident | 73.3 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -71.6 | -37.5 | 177.3 | -62 | -41.5 | -178.8 | -174.2 | 0 | 112.9 | V186 H190 E237 L238 K239 N244 L245 | V186-K241 HydrophobicContact CG1-CD 3.85Å; V186-K241 HydrophobicContact CG1-CG 4.07Å; H190-K241 HydrophobicContact CB-CG 4.14Å; H190-K241 VanDerWaalsContact NE2-CE 3.34Å; H190-K241 WeakPolarHBondContact NE2-CE 3.49Å; E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.1Å; L238-K241 PolarHBondContact O-N 3.17Å; K239-K241 VanDerWaalsContact C-N 3.3Å; K239-K241 PolarHBondContact O-N 3.35Å; K241-N244 PolarHBondContact O-N 3.38Å; K241-L245 WeakPolarHBondContact O-CB 3.49Å; K241-L245 PolarHBondContact O-N 3.25Å |
| 242 | V | 71.2 | Confident | 72.7 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 8% | 0.079 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 110 | E53 A56 M187 L238 K239 N244 L245 E246 | E53-V242 HydrophobicContact CB-CG1 4.48Å; E53-V242 HydrophobicContact CG-CG2 3.99Å; A56-V242 HydrophobicContact CB-CG1 4.43Å; M187-V242 HydrophobicContact CG-CG2 3.91Å; L238-V242 HydrophobicContact CD1-CG2 3.91Å; L238-V242 HydrophobicContact CG-CG2 4.3Å; L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.32Å; L238-V242 PolarHBondContact O-N 2.93Å; K239-V242 PolarHBondContact O-N 3.4Å; V242-N244 VanDerWaalsContact C-N 3.31Å; V242-N244 PolarHBondContact O-N 3.27Å; V242-L245 WeakPolarHBondContact O-CB 3.45Å; V242-L245 PolarHBondContact O-N 3.45Å; V242-E246 WeakPolarHBondContact O-CG 3.27Å; V242-E246 PolarHBondContact O-N 2.73Å |
| 243 | E | 71.2 | Confident | 72 | Confident | 54 Ų | 54 | 41.8 Ų | 41.8 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.4 | -42.8 | 173.9 | -70.1 | 176 | -179.5 | 0 | 0 | 112.1 | A56 K239 E246 I247 | A56-E243 HydrophobicContact CB-CG 3.36Å; K239-E243 WeakPolarHBondContact O-CG 3.44Å; K239-E243 PolarHBondContact O-N 3.16Å; E243-E246 PolarHBondContact O-N 3Å; E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.15Å; E243-I247 PolarHBondContact O-N 3.25Å |
| 244 | N | 75.5 | Confident | 70.8 | Confident | 71 Ų | 71 | 44 Ų | 44 | 38% | 0.38 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.1 | -176.2 | 32.7 | 0 | 0 | 0 | 112.4 | S240 K241 V242 E246 I247 N248 | S240-N244 PolarHBondContact O-N 2.75Å; S240-N244 VanDerWaalsContact O-N 3.1Å; K241-N244 PolarHBondContact O-N 3.38Å; V242-N244 VanDerWaalsContact C-N 3.31Å; V242-N244 PolarHBondContact O-N 3.27Å; N244-E246 VanDerWaalsContact C-N 3.34Å; N244-E246 PolarHBondContact O-N 3.47Å; N244-I247 PolarHBondContact O-N 3.12Å; N244-N248 PolarHBondContact O-N 3.23Å; N244-N248 PolarHBondContact O-ND2 2.85Å; N244-N248 PolarHBondContact OD1-ND2 3.01Å; N244-N248 VanDerWaalsContact OD1-ND2 3.15Å |
| 245 | L | 74.2 | Confident | 70.2 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.031 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -56.2 | -50.3 | 174.6 | 168.5 | 58 | 0 | 0 | 0 | 110.7 | L180 S183 E184 M187 K241 V242 I247 N248 R249 | L180-L245 HydrophobicContact CD1-CD1 3.6Å; S183-L245 WeakPolarHBondContact OG-CD1 3.47Å; E184-L245 HydrophobicContact CB-CD1 4.32Å; E184-L245 HydrophobicContact CG-CD1 3.37Å; E184-L245 HydrophobicContact CG-CD2 4.4Å; M187-L245 HydrophobicContact CB-CD2 4.13Å; M187-L245 HydrophobicContact CE-CD2 3.67Å; M187-L245 HydrophobicContact CG-CD2 4.02Å; K241-L245 WeakPolarHBondContact O-CB 3.49Å; K241-L245 PolarHBondContact O-N 3.25Å; V242-L245 WeakPolarHBondContact O-CB 3.45Å; V242-L245 PolarHBondContact O-N 3.45Å; L245-I247 PolarHBondContact O-N 2.81Å; L245-N248 PolarHBondContact O-N 3.1Å; L245-N248 VanDerWaalsContact O-N 3.1Å; L245-R249 WeakPolarHBondContact O-CB 3.44Å; L245-R249 PolarHBondContact O-N 2.88Å |
| 246 | E | 66.4 | Low | 69.5 | Low | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | -178.6 | -71.5 | -55.7 | 137.9 | 0 | 0 | 112.8 | F57 I60 V242 E243 N244 N248 R249 I250 | F57-E246 HydrophobicContact CD2-CG 4.01Å; F57-E246 HydrophobicContact CE2-CG 4.17Å; I60-E246 HydrophobicContact CD1-CB 3.25Å; I60-E246 HydrophobicContact CD1-CG 4.04Å; V242-E246 WeakPolarHBondContact O-CG 3.27Å; V242-E246 PolarHBondContact O-N 2.73Å; E243-E246 PolarHBondContact O-N 3Å; N244-E246 VanDerWaalsContact C-N 3.34Å; N244-E246 PolarHBondContact O-N 3.47Å; E246-N248 VanDerWaalsContact C-N 3.34Å; E246-N248 PolarHBondContact O-N 2.84Å; E246-R249 PolarHBondContact O-N 3.45Å; E246-R249 IonicContact OE1-CZ 3.27Å; E246-R249 IonicContact OE1-NH1 3.39Å; E246-R249 PolarHBondContact OE1-NH1 2.93Å; E246-I250 WeakPolarHBondContact O-CB 3.49Å; E246-I250 VanDerWaalsContact O-CG1 3.31Å; E246-I250 WeakPolarHBondContact O-CG1 3.27Å; E246-I250 PolarHBondContact O-N 3.19Å |
| 247 | I | 67.6 | Low | 68.4 | Low | 69 Ų | 69 | 41.7 Ų | 41.7 | 35% | 0.354 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 171 | -71.3 | 165.2 | 0 | 0 | 0 | 111 | E243 N244 L245 N251 | E243-I247 WeakPolarHBondContact O-CD1 3.48Å; E243-I247 VanDerWaalsContact O-CG1 3.26Å; E243-I247 WeakPolarHBondContact O-CG1 3.15Å; E243-I247 PolarHBondContact O-N 3.25Å; N244-I247 PolarHBondContact O-N 3.12Å; L245-I247 PolarHBondContact O-N 2.81Å; I247-N251 WeakPolarHBondContact O-CB 3.46Å; I247-N251 VanDerWaalsContact O-CG 3.28Å; I247-N251 PolarHBondContact O-N 3.03Å; I247-N251 PolarHBondContact O-ND2 3.04Å; I247-N251 VanDerWaalsContact O-ND2 3.11Å |
| 248 | N | 67.9 | Low | 66.8 | Low | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.139 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -39.4 | 178.7 | -70.4 | -43.5 | 0 | 0 | 0 | 111.8 | L180 S183 N244 L245 E246 N251 Y252 | L180-N248 HydrophobicContact CD1-CB 4.46Å; S183-N248 WeakPolarHBondContact CB-ND2 3.22Å; N244-N248 PolarHBondContact O-N 3.23Å; N244-N248 PolarHBondContact O-ND2 2.85Å; N244-N248 PolarHBondContact OD1-ND2 3.01Å; N244-N248 VanDerWaalsContact OD1-ND2 3.15Å; L245-N248 PolarHBondContact O-N 3.1Å; L245-N248 VanDerWaalsContact O-N 3.1Å; E246-N248 VanDerWaalsContact C-N 3.34Å; E246-N248 PolarHBondContact O-N 2.84Å; N248-N251 PolarHBondContact O-N 3.04Å; N248-Y252 VanDerWaalsContact O-CB 3.32Å; N248-Y252 WeakPolarHBondContact O-CB 3.35Å; N248-Y252 PolarHBondContact O-N 2.87Å |
| 249 | R | 67 | Low | 65.4 | Low | 31 Ų | 31 | 46.1 Ų | 46.1 | 12% | 0.117 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -51 | 174 | -172 | 175.6 | -81.4 | 179.5 | -15.2 | 110.3 | L180 E184 L245 E246 N251 Y252 L253 E271 | L180-R249 HydrophobicContact CD1-CB 3.91Å; E184-R249 IonicContact OE1-NH2 2.89Å; L245-R249 WeakPolarHBondContact O-CB 3.44Å; L245-R249 PolarHBondContact O-N 2.88Å; E246-R249 PolarHBondContact O-N 3.45Å; E246-R249 IonicContact OE1-CZ 3.27Å; E246-R249 IonicContact OE1-NH1 3.39Å; E246-R249 PolarHBondContact OE1-NH1 2.93Å; R249-N251 VanDerWaalsContact C-N 3.33Å; R249-N251 PolarHBondContact O-N 2.85Å; R249-Y252 CarbonylContact O-C 3.57Å; R249-Y252 WeakPolarHBondContact O-CA 3.06Å; R249-Y252 WeakPolarHBondContact O-CB 3.34Å; R249-Y252 PolarHBondContact O-N 3.37Å; R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 2.91Å; R249-E271 IonicContact NH1-OE2 3.31Å |
| 250 | I | 62.1 | Low | 64.3 | Low | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 176 | -71.7 | 168.5 | 0 | 0 | 0 | 112.3 | I60 L64 E246 Y252 L253 | I60-I250 HydrophobicContact CG2-CD1 3.35Å; L64-I250 HydrophobicContact CD1-CD1 4.33Å; L64-I250 HydrophobicContact CG-CD1 4.42Å; E246-I250 WeakPolarHBondContact O-CB 3.49Å; E246-I250 VanDerWaalsContact O-CG1 3.31Å; E246-I250 WeakPolarHBondContact O-CG1 3.27Å; E246-I250 PolarHBondContact O-N 3.19Å; I250-Y252 VanDerWaalsContact C-N 3.26Å; I250-Y252 PolarHBondContact O-N 3.23Å; I250-L253 PolarHBondContact O-N 3.4Å |
| 251 | N | 64.6 | Low | 63 | Low | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 177.2 | -76.2 | -36.1 | 0 | 0 | 0 | 111.9 | K176 I247 N248 R249 F255 | K176-N251 HydrophobicContact CD-CB 4.4Å; I247-N251 WeakPolarHBondContact O-CB 3.46Å; I247-N251 VanDerWaalsContact O-CG 3.28Å; I247-N251 PolarHBondContact O-N 3.03Å; I247-N251 PolarHBondContact O-ND2 3.04Å; I247-N251 VanDerWaalsContact O-ND2 3.11Å; N248-N251 PolarHBondContact O-N 3.04Å; R249-N251 VanDerWaalsContact C-N 3.33Å; R249-N251 PolarHBondContact O-N 2.85Å; N251-F255 WeakPolarHBondContact O-CD2 3.45Å; N251-F255 WeakPolarHBondContact O-CE2 3.14Å |
| 252 | Y | 67.9 | Low | 61.3 | Low | 19 Ų | 19 | 44.1 Ų | 44.1 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75.9 | -34.8 | 178.2 | -175.9 | -117.1 | 0 | 0 | 0 | 113.1 | Y173 K176 E177 L180 N248 R249 I250 K254 F255 M256 | Y173-Y252 AromaticContact CD2-CE2 3.94Å; Y173-Y252 HydrophobicContact CD2-CE2 3.94Å; Y173-Y252 AromaticContact CE2-CE2 3.57Å; Y173-Y252 HydrophobicContact CE2-CE2 3.57Å; Y173-Y252 AromaticContact CE2-CZ 3.83Å; Y173-Y252 VanDerWaalsContact CE2-OH 3.32Å; Y173-Y252 WeakPolarHBondContact CE2-OH 3.27Å; Y173-Y252 VanDerWaalsContact CZ-OH 3.3Å; Y173-Y252 PolarHBondContact OH-OH 3.08Å; K176-Y252 HydrophobicContact CB-CD2 4.02Å; E177-Y252 HydrophobicContact CB-CD2 4.32Å; E177-Y252 HydrophobicContact CB-CE2 3.64Å; E177-Y252 HydrophobicContact CG-CE2 4.16Å; E177-Y252 PolarHBondContact OE1-OH 3.47Å; L180-Y252 HydrophobicContact CD2-CD1 3.32Å; L180-Y252 HydrophobicContact CD2-CE1 3.93Å; L180-Y252 HydrophobicContact CD2-CG 3.88Å; N248-Y252 VanDerWaalsContact O-CB 3.32Å; N248-Y252 WeakPolarHBondContact O-CB 3.35Å; N248-Y252 PolarHBondContact O-N 2.87Å; R249-Y252 CarbonylContact O-C 3.57Å; R249-Y252 WeakPolarHBondContact O-CA 3.06Å; R249-Y252 WeakPolarHBondContact O-CB 3.34Å; R249-Y252 PolarHBondContact O-N 3.37Å; I250-Y252 VanDerWaalsContact C-N 3.26Å; I250-Y252 PolarHBondContact O-N 3.23Å; Y252-K254 PolarHBondContact O-N 3.43Å; Y252-F255 PolarHBondContact O-N 2.93Å; Y252-M256 HydrophobicContact CD1-CE 3.53Å; Y252-M256 HydrophobicContact CD1-CG 4.18Å; Y252-M256 HydrophobicContact CE1-CE 3.35Å; Y252-M256 HydrophobicContact CE1-CG 3.95Å; Y252-M256 HydrophobicContact CE1-SD 4.46Å; Y252-M256 PolarHBondContact O-N 3.21Å |
| 253 | L | 60.8 | Low | 60.2 | Low | 21 Ų | 21 | 47.9 Ų | 47.9 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -50.3 | -37 | 178.8 | -73.8 | 178.1 | 0 | 0 | 0 | 112 | R249 I250 F255 M256 R261 V265 | R249-L253 WeakPolarHBondContact O-CG 3.48Å; R249-L253 PolarHBondContact O-N 2.91Å; I250-L253 PolarHBondContact O-N 3.4Å; L253-F255 PolarHBondContact O-N 3.46Å; L253-F255 VanDerWaalsContact O-N 3.1Å; L253-M256 HydrophobicContact CD2-SD 3.74Å; L253-M256 PolarHBondContact O-N 3.07Å; L253-R261 HydrophobicContact CB-CG 4.1Å; L253-R261 HydrophobicContact CD2-CG 3.78Å; L253-R261 HydrophobicContact CG-CG 4.36Å; L253-R261 PolarHBondContact O-NE 2.92Å; L253-R261 PolarHBondContact O-NH2 3.26Å; L253-V265 HydrophobicContact CD1-CG2 4.21Å |
| 254 | K | 59.3 | Low | 59.3 | Low | 107 Ų | 107 | 46.2 Ų | 46.2 | 47% | 0.465 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26.6 | 179.3 | -65.6 | 177 | -176 | 170.3 | 0 | 113.7 | Y252 R261 | Y252-K254 PolarHBondContact O-N 3.43Å; K254-R261 PolarHBondContact O-NH2 3.29Å; K254-R261 VanDerWaalsContact O-NH2 3.08Å |
| 255 | F | 61.3 | Low | 58 | Low | 34 Ų | 34 | 45.1 Ų | 45.1 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -11.4 | 179.9 | -53.7 | -90.9 | 0 | 0 | 0 | 113.4 | Y165 D172 Y173 K176 N251 Y252 L253 | Y165-F255 WeakPolarHBondContact CD2-O 3.45Å; D172-F255 HydrophobicContact CB-CE1 4.28Å; D172-F255 HydrophobicContact CB-CZ 4.39Å; Y173-F255 HydrophobicContact CD2-CB 3.77Å; K176-F255 HydrophobicContact CB-CD2 4.43Å; K176-F255 HydrophobicContact CB-CE2 4.28Å; K176-F255 HydrophobicContact CG-CD2 4.41Å; K176-F255 HydrophobicContact CG-CE2 3.78Å; K176-F255 HydrophobicContact CG-CZ 4.34Å; N251-F255 WeakPolarHBondContact O-CD2 3.45Å; N251-F255 WeakPolarHBondContact O-CE2 3.14Å; Y252-F255 PolarHBondContact O-N 2.93Å; L253-F255 PolarHBondContact O-N 3.46Å; L253-F255 VanDerWaalsContact O-N 3.1Å |
| 256 | M | 56.6 | Low | 56.8 | Low | 23 Ų | 23 | 46.4 Ų | 46.4 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -69.5 | 148.9 | 173.2 | -71.4 | -174.9 | 169.6 | 0 | 0 | 111 | Y252 L253 E260 R261 | Y252-M256 HydrophobicContact CD1-CE 3.53Å; Y252-M256 HydrophobicContact CD1-CG 4.18Å; Y252-M256 HydrophobicContact CE1-CE 3.35Å; Y252-M256 HydrophobicContact CE1-CG 3.95Å; Y252-M256 HydrophobicContact CE1-SD 4.46Å; Y252-M256 PolarHBondContact O-N 3.21Å; L253-M256 HydrophobicContact CD2-SD 3.74Å; L253-M256 PolarHBondContact O-N 3.07Å; M256-E260 HydrophobicContact CB-CB 4.14Å; M256-E260 HydrophobicContact CG-CB 4.49Å; M256-E260 HydrophobicContact SD-CB 4.33Å; M256-R261 HydrophobicContact CB-CB 4.15Å; M256-R261 PolarHBondContact O-NH2 3.38Å |
| 257 | N | 53.9 | Low | 56.1 | Low | 34 Ų | 34 | 49.3 Ų | 49.3 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | trans | -64.4 | 160.9 | 168.8 | 84.6 | 48.7 | 0 | 0 | 0 | 110.2 | Y165 M259 E260 R261 | Y165-N257 HydrophobicContact CD1-CB 4.32Å; Y165-N257 HydrophobicContact CD2-CB 3.84Å; Y165-N257 HydrophobicContact CE1-CB 4.22Å; Y165-N257 HydrophobicContact CE2-CB 3.72Å; Y165-N257 HydrophobicContact CG-CB 4.15Å; N257-M259 VanDerWaalsContact C-N 3.35Å; N257-M259 PolarHBondContact O-N 3.48Å; N257-M259 PolarHBondContact OD1-N 3.25Å; N257-E260 PolarHBondContact N-OE2 3.3Å; N257-E260 VanDerWaalsContact ND2-CG 3.31Å; N257-E260 WeakPolarHBondContact ND2-CG 3.2Å; N257-E260 PolarHBondContact ND2-OE1 3.44Å; N257-E260 PolarHBondContact ND2-OE2 3.48Å; N257-E260 VanDerWaalsContact ND2-OE2 3.08Å; N257-E260 PolarHBondContact O-N 2.99Å; N257-E260 PolarHBondContact OD1-N 3.15Å; N257-R261 WeakPolarHBondContact O-CB 3.43Å; N257-R261 PolarHBondContact O-N 3.39Å | ||
| 258 | P | 48.4 | Very low | 55.4 | Low | 41 Ų | 41 | 46.5 Ų | 46.5 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.3 | -40.8 | -174.5 | -29.1 | 36.8 | 0 | 0 | 0 | 116.4 | W153 L154 V262 | W153-P258 HydrophobicContact CE3-CB 4.39Å; W153-P258 VanDerWaalsContact CH2-CA 3.42Å; W153-P258 HydrophobicContact CH2-CB 3.57Å; W153-P258 HydrophobicContact CH2-CG 3.73Å; W153-P258 HydrophobicContact CZ3-CB 3.36Å; W153-P258 HydrophobicContact CZ3-CG 4.04Å; L154-P258 HydrophobicContact CD2-CB 3.48Å; L154-P258 VanDerWaalsContact CD2-CB 3.48Å; L154-P258 HydrophobicContact CD2-CG 4.37Å; P258-V262 WeakPolarHBondContact O-CG2 3.33Å; P258-V262 PolarHBondContact O-N 2.97Å |
| 259 | M | 46.7 | Very low | 54.4 | Low | 124 Ų | 124 | 46.8 Ų | 46.8 | 61% | 0.611 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -72.8 | -42.7 | 180 | -68.6 | -65.8 | -80.1 | 0 | 0 | 111.8 | N257 R261 V262 I263 | N257-M259 VanDerWaalsContact C-N 3.35Å; N257-M259 PolarHBondContact O-N 3.48Å; N257-M259 PolarHBondContact OD1-N 3.25Å; M259-R261 VanDerWaalsContact C-N 3.28Å; M259-R261 PolarHBondContact O-N 2.95Å; M259-V262 PolarHBondContact O-N 3.33Å; M259-I263 WeakPolarHBondContact O-CG1 3.48Å; M259-I263 PolarHBondContact O-N 3.26Å |
| 260 | E | 50.3 | Low | 53.5 | Low | 86 Ų | 86 | 48.8 Ų | 48.8 | 40% | 0.402 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 174.7 | -78 | 167.2 | -179.5 | 0 | 0 | 111.7 | M256 N257 V262 I263 S264 | M256-E260 HydrophobicContact CB-CB 4.14Å; M256-E260 HydrophobicContact CG-CB 4.49Å; M256-E260 HydrophobicContact SD-CB 4.33Å; N257-E260 PolarHBondContact N-OE2 3.3Å; N257-E260 VanDerWaalsContact ND2-CG 3.31Å; N257-E260 WeakPolarHBondContact ND2-CG 3.2Å; N257-E260 PolarHBondContact ND2-OE1 3.44Å; N257-E260 PolarHBondContact ND2-OE2 3.48Å; N257-E260 VanDerWaalsContact ND2-OE2 3.08Å; N257-E260 PolarHBondContact O-N 2.99Å; N257-E260 PolarHBondContact OD1-N 3.15Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 2.91Å; E260-I263 PolarHBondContact O-N 3.44Å; E260-S264 WeakPolarHBondContact O-CB 3.37Å; E260-S264 PolarHBondContact O-N 3.44Å |
| 261 | R | 49.5 | Very low | 52.9 | Low | 44 Ų | 44 | 51.5 Ų | 51.5 | 17% | 0.166 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.5 | -168.3 | -177.5 | -60.3 | -168.4 | 4.4 | 111.6 | W153 L253 K254 M256 N257 M259 S264 V265 | W153-R261 HydrophobicContact CH2-CB 4.47Å; W153-R261 VanDerWaalsContact CH2-CZ 3.4Å; W153-R261 HydrophobicContact CZ3-CB 4.44Å; L253-R261 HydrophobicContact CB-CG 4.1Å; L253-R261 HydrophobicContact CD2-CG 3.78Å; L253-R261 HydrophobicContact CG-CG 4.36Å; L253-R261 PolarHBondContact O-NE 2.92Å; L253-R261 PolarHBondContact O-NH2 3.26Å; K254-R261 PolarHBondContact O-NH2 3.29Å; K254-R261 VanDerWaalsContact O-NH2 3.08Å; M256-R261 HydrophobicContact CB-CB 4.15Å; M256-R261 PolarHBondContact O-NH2 3.38Å; N257-R261 WeakPolarHBondContact O-CB 3.43Å; N257-R261 PolarHBondContact O-N 3.39Å; M259-R261 VanDerWaalsContact C-N 3.28Å; M259-R261 PolarHBondContact O-N 2.95Å; R261-S264 PolarHBondContact O-N 2.78Å; R261-V265 VanDerWaalsContact O-CG2 3.3Å; R261-V265 WeakPolarHBondContact O-CG2 3.42Å; R261-V265 PolarHBondContact O-N 3.27Å |
| 262 | V | 45.7 | Very low | 51.8 | Low | 22 Ų | 22 | 50.6 Ų | 50.6 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -46.9 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | T150 P258 M259 E260 S264 V265 I266 | T150-V262 HydrophobicContact CG2-CB 4.32Å; T150-V262 HydrophobicContact CG2-CG1 4.2Å; T150-V262 HydrophobicContact CG2-CG2 3.17Å; P258-V262 WeakPolarHBondContact O-CG2 3.33Å; P258-V262 PolarHBondContact O-N 2.97Å; M259-V262 PolarHBondContact O-N 3.33Å; E260-V262 VanDerWaalsContact C-N 3.32Å; E260-V262 PolarHBondContact O-N 2.91Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 3.08Å; V262-V265 PolarHBondContact O-N 3.22Å; V262-I266 HydrophobicContact CG1-CD1 3.76Å; V262-I266 HydrophobicContact CG1-CG1 4.46Å; V262-I266 VanDerWaalsContact O-CG1 3.27Å; V262-I266 WeakPolarHBondContact O-CG1 3.5Å; V262-I266 PolarHBondContact O-N 3.38Å |
| 263 | I | 47.7 | Very low | 50.4 | Low | 91 Ų | 91 | 50.7 Ų | 50.7 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 175.5 | -67.2 | 165.7 | 0 | 0 | 0 | 109.9 | M259 E260 V265 I266 D267 | M259-I263 WeakPolarHBondContact O-CG1 3.48Å; M259-I263 PolarHBondContact O-N 3.26Å; E260-I263 PolarHBondContact O-N 3.44Å; I263-V265 VanDerWaalsContact C-N 3.34Å; I263-V265 PolarHBondContact O-N 2.87Å; I263-I266 CarbonylContact O-C 3.53Å; I263-I266 WeakPolarHBondContact O-CB 3.46Å; I263-I266 PolarHBondContact O-N 3.42Å; I263-I266 VanDerWaalsContact O-N 3.09Å; I263-D267 VanDerWaalsContact O-CG 3.28Å; I263-D267 PolarHBondContact O-N 3.32Å |
| 264 | S | 51.7 | Low | 49.6 | Very low | 20 Ų | 20 | 52.6 Ų | 52.6 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.7 | -36.8 | 179.6 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | E260 R261 V262 A268 | E260-S264 WeakPolarHBondContact O-CB 3.37Å; E260-S264 PolarHBondContact O-N 3.44Å; R261-S264 PolarHBondContact O-N 2.78Å; V262-S264 VanDerWaalsContact C-N 3.33Å; V262-S264 PolarHBondContact O-N 3.08Å; S264-A268 WeakPolarHBondContact O-CB 3.3Å; S264-A268 PolarHBondContact O-N 3.26Å |
| 265 | V | 49.5 | Very low | 48.8 | Very low | 47 Ų | 47 | 48.7 Ų | 48.7 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.5 | -41.1 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | L146 L253 R261 V262 I263 A268 M269 | L146-V265 HydrophobicContact CD1-CG1 4.31Å; L146-V265 HydrophobicContact CD2-CG1 4.16Å; L253-V265 HydrophobicContact CD1-CG2 4.21Å; R261-V265 VanDerWaalsContact O-CG2 3.3Å; R261-V265 WeakPolarHBondContact O-CG2 3.42Å; R261-V265 PolarHBondContact O-N 3.27Å; V262-V265 PolarHBondContact O-N 3.22Å; I263-V265 VanDerWaalsContact C-N 3.34Å; I263-V265 PolarHBondContact O-N 2.87Å; V265-A268 PolarHBondContact O-N 3.43Å; V265-M269 HydrophobicContact CG1-SD 4.44Å; V265-M269 VanDerWaalsContact O-CG 3.26Å; V265-M269 WeakPolarHBondContact O-CG 3.32Å; V265-M269 PolarHBondContact O-N 2.99Å |
| 266 | I | 47.4 | Very low | 47.5 | Very low | 33 Ų | 33 | 51.3 Ų | 51.3 | 17% | 0.169 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 175.3 | -70.1 | 166.2 | 0 | 0 | 0 | 110.2 | V262 I263 A268 M269 E270 | V262-I266 HydrophobicContact CG1-CD1 3.76Å; V262-I266 HydrophobicContact CG1-CG1 4.46Å; V262-I266 VanDerWaalsContact O-CG1 3.27Å; V262-I266 WeakPolarHBondContact O-CG1 3.5Å; V262-I266 PolarHBondContact O-N 3.38Å; I263-I266 CarbonylContact O-C 3.53Å; I263-I266 WeakPolarHBondContact O-CB 3.46Å; I263-I266 PolarHBondContact O-N 3.42Å; I263-I266 VanDerWaalsContact O-N 3.09Å; I266-A268 PolarHBondContact O-N 3.38Å; I266-M269 CarbonylContact O-C 3.55Å; I266-M269 WeakPolarHBondContact O-CB 3.37Å; I266-M269 PolarHBondContact O-N 2.76Å; I266-M269 VanDerWaalsContact O-N 3.11Å; I266-E270 HydrophobicContact CG2-CG 4.24Å; I266-E270 WeakPolarHBondContact O-CG 3.47Å; I266-E270 PolarHBondContact O-N 3.43Å |
| 267 | D | 53.1 | Low | 46.6 | Very low | 79 Ų | 79 | 54.4 Ų | 54.4 | 42% | 0.422 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -45 | 179.5 | -66.9 | -16.1 | 0 | 0 | 0 | 111.1 | I263 M269 E270 E271 | I263-D267 VanDerWaalsContact O-CG 3.28Å; I263-D267 PolarHBondContact O-N 3.32Å; D267-M269 VanDerWaalsContact C-N 3.27Å; D267-M269 PolarHBondContact O-N 3.44Å; D267-E270 PolarHBondContact O-N 3.08Å; D267-E271 WeakPolarHBondContact O-CB 3.31Å; D267-E271 WeakPolarHBondContact O-CG 3.28Å; D267-E271 PolarHBondContact O-N 3.2Å |
| 268 | A | 51 | Low | 45.7 | Very low | 9 Ų | 9 | 54.2 Ų | 54.2 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S264 V265 I266 E272 | S264-A268 WeakPolarHBondContact O-CB 3.3Å; S264-A268 PolarHBondContact O-N 3.26Å; V265-A268 PolarHBondContact O-N 3.43Å; I266-A268 PolarHBondContact O-N 3.38Å; A268-E272 PolarHBondContact O-N 2.85Å |
| 269 | M | 46.9 | Very low | 44.8 | Very low | 32 Ų | 32 | 59.9 Ų | 59.9 | 16% | 0.158 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.7 | -37.6 | 173.8 | -71.2 | 178.2 | 86.3 | 0 | 0 | 113.3 | A142 L146 V265 I266 D267 E271 E272 V273 | A142-M269 HydrophobicContact CB-CE 3.82Å; L146-M269 HydrophobicContact CD1-CE 3.34Å; L146-M269 HydrophobicContact CD1-CG 4.35Å; L146-M269 HydrophobicContact CD1-SD 2.96Å; L146-M269 WeakPolarHBondContact CD1-SD 3.48Å; L146-M269 HydrophobicContact CG-SD 4.43Å; V265-M269 HydrophobicContact CG1-SD 4.44Å; V265-M269 VanDerWaalsContact O-CG 3.26Å; V265-M269 WeakPolarHBondContact O-CG 3.32Å; V265-M269 PolarHBondContact O-N 2.99Å; I266-M269 CarbonylContact O-C 3.55Å; I266-M269 WeakPolarHBondContact O-CB 3.37Å; I266-M269 PolarHBondContact O-N 2.76Å; I266-M269 VanDerWaalsContact O-N 3.11Å; D267-M269 VanDerWaalsContact C-N 3.27Å; D267-M269 PolarHBondContact O-N 3.44Å; M269-E271 VanDerWaalsContact C-N 3.27Å; M269-E272 WeakPolarHBondContact O-CB 3.32Å; M269-E272 PolarHBondContact O-N 3.17Å; M269-V273 WeakPolarHBondContact O-CB 3.34Å; M269-V273 VanDerWaalsContact O-CG2 3.22Å; M269-V273 WeakPolarHBondContact O-CG2 3.46Å; M269-V273 PolarHBondContact O-N 2.94Å |
| 270 | E | 48 | Very low | 44 | Very low | 74 Ų | 74 | 60.8 Ų | 60.8 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 174.4 | -73.4 | -168.6 | 161.6 | 0 | 0 | 109.5 | I266 D267 V273 D274 | I266-E270 HydrophobicContact CG2-CG 4.24Å; I266-E270 WeakPolarHBondContact O-CG 3.47Å; I266-E270 PolarHBondContact O-N 3.43Å; D267-E270 PolarHBondContact O-N 3.08Å; E270-V273 PolarHBondContact O-N 3.03Å; E270-D274 WeakPolarHBondContact O-CB 3.14Å; E270-D274 PolarHBondContact O-N 3.12Å |
| 271 | E | 50.6 | Low | 43 | Very low | 92 Ų | 92 | 68.2 Ų | 68.2 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.2 | -57.7 | 165.1 | -73.7 | -177.9 | 164.5 | 0 | 0 | 110.2 | R249 D267 M269 V273 D274 H275 | R249-E271 IonicContact NH1-OE2 3.31Å; D267-E271 WeakPolarHBondContact O-CB 3.31Å; D267-E271 WeakPolarHBondContact O-CG 3.28Å; D267-E271 PolarHBondContact O-N 3.2Å; M269-E271 VanDerWaalsContact C-N 3.27Å; E271-V273 PolarHBondContact O-N 2.94Å; E271-D274 PolarHBondContact O-N 3.24Å; E271-D274 VanDerWaalsContact O-N 3.14Å; E271-H275 VanDerWaalsContact C-ND1 3.26Å; E271-H275 VanDerWaalsContact O-CB 3.28Å; E271-H275 WeakPolarHBondContact O-CB 3.34Å; E271-H275 VanDerWaalsContact O-CG 3.25Å; E271-H275 PolarHBondContact O-N 2.84Å; E271-H275 PolarHBondContact O-ND1 2.93Å |
| 272 | E | 42.3 | Very low | 42.7 | Very low | 30 Ų | 30 | 69.5 Ų | 69.5 | 14% | 0.14 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -48.6 | -41.9 | 178.1 | -172.7 | -167.7 | 166.6 | 0 | 0 | 113 | Y54 F57 A268 M269 K276 | Y54-E272 HydrophobicContact CD2-CG 4.4Å; Y54-E272 WeakPolarHBondContact CE2-OE1 3.4Å; F57-E272 HydrophobicContact CD1-CG 4.42Å; A268-E272 PolarHBondContact O-N 2.85Å; M269-E272 WeakPolarHBondContact O-CB 3.32Å; M269-E272 PolarHBondContact O-N 3.17Å; E272-K276 VanDerWaalsContact O-CB 3.25Å; E272-K276 WeakPolarHBondContact O-CB 3.4Å; E272-K276 PolarHBondContact O-N 3.07Å |
| 273 | V | 38.1 | Very low | 42.6 | Very low | 22 Ų | 22 | 71.9 Ų | 71.9 | 13% | 0.133 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.2 | -47.1 | -177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.6 | Y135 K139 M269 E270 E271 H275 K276 Y277 | Y135-V273 HydrophobicContact CD2-CG1 4.37Å; Y135-V273 HydrophobicContact CE2-CG1 3.28Å; Y135-V273 VanDerWaalsContact OH-CG1 3.28Å; Y135-V273 WeakPolarHBondContact OH-CG1 3.37Å; K139-V273 HydrophobicContact CD-CG1 4.43Å; M269-V273 WeakPolarHBondContact O-CB 3.34Å; M269-V273 VanDerWaalsContact O-CG2 3.22Å; M269-V273 WeakPolarHBondContact O-CG2 3.46Å; M269-V273 PolarHBondContact O-N 2.94Å; E270-V273 PolarHBondContact O-N 3.03Å; E271-V273 PolarHBondContact O-N 2.94Å; V273-H275 PolarHBondContact O-N 3.31Å; V273-K276 PolarHBondContact O-N 2.93Å; V273-Y277 HydrophobicContact CG1-CD2 4.29Å; V273-Y277 WeakPolarHBondContact O-CD2 3.01Å; V273-Y277 PolarHBondContact O-N 3.08Å; V273-Y277 VanDerWaalsContact O-N 3.12Å |
| 274 | D | 42.9 | Very low | 42.3 | Very low | 61 Ų | 61 | 70.9 Ų | 70.9 | 33% | 0.326 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -34.8 | 176.2 | -72.9 | -11.2 | 0 | 0 | 0 | 110.7 | E270 E271 G278 | E270-D274 WeakPolarHBondContact O-CB 3.14Å; E270-D274 PolarHBondContact O-N 3.12Å; E271-D274 PolarHBondContact O-N 3.24Å; E271-D274 VanDerWaalsContact O-N 3.14Å; D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 3.28Å |
| 275 | H | 43.1 | Very low | 41.7 | Very low | 25 Ų | 25 | 73.9 Ų | 73.9 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 176.8 | -72.1 | 67.3 | 0 | 0 | 0 | 112 | L50 E53 R191 E271 V273 | L50-H275 WeakPolarHBondContact CD1-O 3.22Å; L50-H275 HydrophobicContact CD2-CB 3.66Å; L50-H275 VanDerWaalsContact CD2-CD2 3.45Å; L50-H275 WeakPolarHBondContact CD2-CD2 3.26Å; E53-H275 IonicContact OE2-CD2 2.75Å; E53-H275 PolarHBondContact OE2-CD2 2.9Å; E53-H275 VanDerWaalsContact OE2-CD2 3.31Å; E53-H275 IonicContact OE2-NE2 3.34Å; R191-H275 PolarHBondContact NH2-NE2 3.2Å; E271-H275 VanDerWaalsContact C-ND1 3.26Å; E271-H275 VanDerWaalsContact O-CB 3.28Å; E271-H275 WeakPolarHBondContact O-CB 3.34Å; E271-H275 VanDerWaalsContact O-CG 3.25Å; E271-H275 PolarHBondContact O-N 2.84Å; E271-H275 PolarHBondContact O-ND1 2.93Å; V273-H275 PolarHBondContact O-N 3.31Å |
| 276 | K | 33.3 | Very low | 41.2 | Very low | 89 Ų | 89 | 75.6 Ų | 75.6 | 39% | 0.387 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -75.4 | -28.3 | -178.9 | -168.7 | 169.4 | 178.7 | 173.3 | 0 | 113.6 | Y54 E272 V273 | Y54-K276 HydrophobicContact CD2-CD 4.46Å; Y54-K276 HydrophobicContact CE2-CD 4.1Å; Y54-K276 PolarHBondContact OH-NZ 3.18Å; E272-K276 VanDerWaalsContact O-CB 3.25Å; E272-K276 WeakPolarHBondContact O-CB 3.4Å; E272-K276 PolarHBondContact O-N 3.07Å; V273-K276 PolarHBondContact O-N 2.93Å |
| 277 | Y | 37.6 | Very low | 40.8 | Very low | 87 Ų | 87 | 78.4 Ų | 78.4 | 34% | 0.341 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -122.7 | -3.9 | -171.6 | -55.7 | -70.4 | 0 | 0 | 0 | 115.1 | Y135 W138 V273 | Y135-Y277 AromaticContact CD2-CD2 3.9Å; Y135-Y277 HydrophobicContact CD2-CD2 3.9Å; Y135-Y277 HydrophobicContact CD2-CE2 4.17Å; Y135-Y277 HydrophobicContact CD2-CG 4.38Å; Y135-Y277 HydrophobicContact CE2-CD2 4Å; W138-Y277 WeakPolarHBondContact CZ3-OH 3.35Å; V273-Y277 HydrophobicContact CG1-CD2 4.29Å; V273-Y277 WeakPolarHBondContact O-CD2 3.01Å; V273-Y277 PolarHBondContact O-N 3.08Å; V273-Y277 VanDerWaalsContact O-N 3.12Å |
| 278 | G | 34.8 | Very low | 39.9 | Very low | 30 Ų | 30 | 78.4 Ų | 78.4 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | trans | 59 | 60.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D274 Y280 | D274-G278 WeakPolarHBondContact O-CA 3.27Å; D274-G278 PolarHBondContact O-N 3.28Å; G278-Y280 VanDerWaalsContact C-N 3.34Å | ||
| 279 | F | 30.4 | Very low | 39.1 | Very low | 160 Ų | 160 | 83.7 Ų | 83.7 | 70% | 0.702 | 40% | 0.396 | S | S | * | . | trans | -94.9 | 62.6 | 158 | -83.5 | -85.8 | 0 | 0 | 0 | 109.8 | ||||
| 280 | Y | 31 | Very low | 38.4 | Very low | 143 Ų | 143 | 88 Ų | 88 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | trans | -97.9 | 99.6 | 151 | -78.7 | -80.2 | 0 | 0 | 0 | 106.1 | G278 | G278-Y280 VanDerWaalsContact C-N 3.34Š| ||
| 281 | M | 29.1 | Very low | 37.6 | Very low | 243 Ų | 243 | 89.3 Ų | 89.3 | 100% | 1.197 | 42% | 0.422 | S | S | * | . | trans | -56.1 | 0 | 151.9 | -70.5 | -167.6 | -176.4 | 0 | 0 | 109.3 |
Retrieved 281 of 281 residues in 71.4 ms
(Link to these results)